data_6102 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6102 _Entry.Title ; Solution structure of conserved protein YbeD from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-19 _Entry.Accession_date 2004-02-19 _Entry.Last_release_date 2005-01-20 _Entry.Original_release_date 2005-01-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G. Kozlov . . . 6102 2 K. Gehring . . . 6102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6102 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 434 6102 '13C chemical shifts' 157 6102 '15N chemical shifts' 78 6102 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 . . 2005-01-20 2004-02-19 original author . 6102 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6102 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural similarity of Ybed protein from Escherichia coli to allosteric regulatory domains' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Bacteriol.' _Citation.Journal_name_full . _Citation.Journal_volume 186 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8083 _Citation.Page_last 8088 _Citation.Year 2004 _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 G. Kozlov . . . 6102 1 2 D. Elias . . . 6102 1 3 A. Semesi . . . 6102 1 4 M. Cygler . . . 6102 1 5 K. Gehring . . . 6102 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'mixed alpha-beta fold' 6102 1 'Structural Genomics' 6102 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YbeD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YbeD _Assembly.Entry_ID 6102 _Assembly.ID 1 _Assembly.Name 'Hypothetical UPF0250 protein ybeD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6102 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'YbeD, chain 1' 1 $YbeD A . . native . . 1 . . 6102 1 2 'YbeD, chain 2' 1 $YbeD B . . native . . 1 . . 6102 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1RWU . . . . . . 6102 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical UPF0250 protein ybeD' system 6102 1 YbeD abbreviation 6102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YbeD _Entity.Sf_category entity _Entity.Sf_framecode YbeD _Entity.Entry_ID 6102 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YbeD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGTSHHHHHHSSGRENLYFQ GHMKTKLNELLEFPTPFTYK VMGQALPELVDQVVEVVQRH APGDYTPTVKPSSKGNYHSV SITINATHIEQVETLYEELG KIDIVRMVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12403 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The extra residues come from the N-terminal His-tag was not assigned' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1RWU . "Solution Structure Of Conserved Protein Ybed From E. Coli" . . . . . 100.00 109 100.00 100.00 5.40e-73 . . . . 6102 1 2 no DBJ BAA35274 . "conserved hypothetical protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 3 no DBJ BAB34092 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 4 no DBJ BAG76222 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 5 no DBJ BAI24034 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 6 no DBJ BAI29501 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 7 no EMBL CAD05113 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 79.82 87 97.70 98.85 7.16e-54 . . . . 6102 1 8 no EMBL CAP75130 . "UPF0250 protein ybeD [Escherichia coli LF82]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 9 no EMBL CAQ31106 . "conserved protein [Escherichia coli BL21(DE3)]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 10 no EMBL CAQ89971 . "conserved hypothetical protein [Escherichia fergusonii ATCC 35469]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 11 no EMBL CAQ97484 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 12 no GB AAA66341 . "ORF 1 [Escherichia coli str. K-12 substr. W3110]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 13 no GB AAB40831 . "hypothetical protein [Escherichia coli]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 14 no GB AAC73732 . "UPF0250 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 15 no GB AAG54965 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 16 no GB AAL19587 . "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 79.82 87 97.70 98.85 7.16e-54 . . . . 6102 1 17 no PIR AG0580 . "conserved hypothetical protein STY0687 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 79.82 87 97.70 98.85 7.16e-54 . . . . 6102 1 18 no REF NP_286357 . "hypothetical protein Z0776 [Escherichia coli O157:H7 str. EDL933]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 19 no REF NP_308696 . "hypothetical protein ECs0669 [Escherichia coli O157:H7 str. Sakai]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 20 no REF NP_415164 . "UPF0250 family protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 21 no REF NP_455212 . "hypothetical protein STY0687 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 79.82 87 97.70 98.85 7.16e-54 . . . . 6102 1 22 no REF NP_459628 . "hypothetical protein STM0636 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 79.82 87 97.70 98.85 7.16e-54 . . . . 6102 1 23 no SP A1A8Q6 . "RecName: Full=UPF0250 protein YbeD [Escherichia coli APEC O1]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 24 no SP A7ZJ19 . "RecName: Full=UPF0250 protein YbeD [Escherichia coli E24377A]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 25 no SP A7ZXQ8 . "RecName: Full=UPF0250 protein YbeD [Escherichia coli HS]" . . . . . 79.82 87 100.00 100.00 4.22e-55 . . . . 6102 1 26 no SP A8AJH3 . "RecName: Full=UPF0250 protein CKO_02527 [Citrobacter koseri ATCC BAA-895]" . . . . . 79.82 87 97.70 98.85 7.16e-54 . . . . 6102 1 27 no SP A9MKE1 . "RecName: Full=UPF0250 protein YbeD [Salmonella enterica subsp. arizonae serovar 62:z4,z23:-]" . . . . . 79.82 87 97.70 98.85 7.16e-54 . . . . 6102 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YbeD common 6102 1 YbeD abbreviation 6102 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 -22 MET . 6102 1 2 -21 GLY . 6102 1 3 -20 THR . 6102 1 4 -19 SER . 6102 1 5 -18 HIS . 6102 1 6 -17 HIS . 6102 1 7 -16 HIS . 6102 1 8 -15 HIS . 6102 1 9 -14 HIS . 6102 1 10 -13 HIS . 6102 1 11 -12 SER . 6102 1 12 -11 SER . 6102 1 13 -10 GLY . 6102 1 14 -9 ARG . 6102 1 15 -8 GLU . 6102 1 16 -7 ASN . 6102 1 17 -6 LEU . 6102 1 18 -5 TYR . 6102 1 19 -4 PHE . 6102 1 20 -3 GLN . 6102 1 21 -2 GLY . 6102 1 22 -1 HIS . 6102 1 23 1 MET . 6102 1 24 2 LYS . 6102 1 25 3 THR . 6102 1 26 4 LYS . 6102 1 27 5 LEU . 6102 1 28 6 ASN . 6102 1 29 7 GLU . 6102 1 30 8 LEU . 6102 1 31 9 LEU . 6102 1 32 10 GLU . 6102 1 33 11 PHE . 6102 1 34 12 PRO . 6102 1 35 13 THR . 6102 1 36 14 PRO . 6102 1 37 15 PHE . 6102 1 38 16 THR . 6102 1 39 17 TYR . 6102 1 40 18 LYS . 6102 1 41 19 VAL . 6102 1 42 20 MET . 6102 1 43 21 GLY . 6102 1 44 22 GLN . 6102 1 45 23 ALA . 6102 1 46 24 LEU . 6102 1 47 25 PRO . 6102 1 48 26 GLU . 6102 1 49 27 LEU . 6102 1 50 28 VAL . 6102 1 51 29 ASP . 6102 1 52 30 GLN . 6102 1 53 31 VAL . 6102 1 54 32 VAL . 6102 1 55 33 GLU . 6102 1 56 34 VAL . 6102 1 57 35 VAL . 6102 1 58 36 GLN . 6102 1 59 37 ARG . 6102 1 60 38 HIS . 6102 1 61 39 ALA . 6102 1 62 40 PRO . 6102 1 63 41 GLY . 6102 1 64 42 ASP . 6102 1 65 43 TYR . 6102 1 66 44 THR . 6102 1 67 45 PRO . 6102 1 68 46 THR . 6102 1 69 47 VAL . 6102 1 70 48 LYS . 6102 1 71 49 PRO . 6102 1 72 50 SER . 6102 1 73 51 SER . 6102 1 74 52 LYS . 6102 1 75 53 GLY . 6102 1 76 54 ASN . 6102 1 77 55 TYR . 6102 1 78 56 HIS . 6102 1 79 57 SER . 6102 1 80 58 VAL . 6102 1 81 59 SER . 6102 1 82 60 ILE . 6102 1 83 61 THR . 6102 1 84 62 ILE . 6102 1 85 63 ASN . 6102 1 86 64 ALA . 6102 1 87 65 THR . 6102 1 88 66 HIS . 6102 1 89 67 ILE . 6102 1 90 68 GLU . 6102 1 91 69 GLN . 6102 1 92 70 VAL . 6102 1 93 71 GLU . 6102 1 94 72 THR . 6102 1 95 73 LEU . 6102 1 96 74 TYR . 6102 1 97 75 GLU . 6102 1 98 76 GLU . 6102 1 99 77 LEU . 6102 1 100 78 GLY . 6102 1 101 79 LYS . 6102 1 102 80 ILE . 6102 1 103 81 ASP . 6102 1 104 82 ILE . 6102 1 105 83 VAL . 6102 1 106 84 ARG . 6102 1 107 85 MET . 6102 1 108 86 VAL . 6102 1 109 87 LEU . 6102 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 6102 1 . GLY 2 2 6102 1 . THR 3 3 6102 1 . SER 4 4 6102 1 . HIS 5 5 6102 1 . HIS 6 6 6102 1 . HIS 7 7 6102 1 . HIS 8 8 6102 1 . HIS 9 9 6102 1 . HIS 10 10 6102 1 . SER 11 11 6102 1 . SER 12 12 6102 1 . GLY 13 13 6102 1 . ARG 14 14 6102 1 . GLU 15 15 6102 1 . ASN 16 16 6102 1 . LEU 17 17 6102 1 . TYR 18 18 6102 1 . PHE 19 19 6102 1 . GLN 20 20 6102 1 . GLY 21 21 6102 1 . HIS 22 22 6102 1 . MET 23 23 6102 1 . LYS 24 24 6102 1 . THR 25 25 6102 1 . LYS 26 26 6102 1 . LEU 27 27 6102 1 . ASN 28 28 6102 1 . GLU 29 29 6102 1 . LEU 30 30 6102 1 . LEU 31 31 6102 1 . GLU 32 32 6102 1 . PHE 33 33 6102 1 . PRO 34 34 6102 1 . THR 35 35 6102 1 . PRO 36 36 6102 1 . PHE 37 37 6102 1 . THR 38 38 6102 1 . TYR 39 39 6102 1 . LYS 40 40 6102 1 . VAL 41 41 6102 1 . MET 42 42 6102 1 . GLY 43 43 6102 1 . GLN 44 44 6102 1 . ALA 45 45 6102 1 . LEU 46 46 6102 1 . PRO 47 47 6102 1 . GLU 48 48 6102 1 . LEU 49 49 6102 1 . VAL 50 50 6102 1 . ASP 51 51 6102 1 . GLN 52 52 6102 1 . VAL 53 53 6102 1 . VAL 54 54 6102 1 . GLU 55 55 6102 1 . VAL 56 56 6102 1 . VAL 57 57 6102 1 . GLN 58 58 6102 1 . ARG 59 59 6102 1 . HIS 60 60 6102 1 . ALA 61 61 6102 1 . PRO 62 62 6102 1 . GLY 63 63 6102 1 . ASP 64 64 6102 1 . TYR 65 65 6102 1 . THR 66 66 6102 1 . PRO 67 67 6102 1 . THR 68 68 6102 1 . VAL 69 69 6102 1 . LYS 70 70 6102 1 . PRO 71 71 6102 1 . SER 72 72 6102 1 . SER 73 73 6102 1 . LYS 74 74 6102 1 . GLY 75 75 6102 1 . ASN 76 76 6102 1 . TYR 77 77 6102 1 . HIS 78 78 6102 1 . SER 79 79 6102 1 . VAL 80 80 6102 1 . SER 81 81 6102 1 . ILE 82 82 6102 1 . THR 83 83 6102 1 . ILE 84 84 6102 1 . ASN 85 85 6102 1 . ALA 86 86 6102 1 . THR 87 87 6102 1 . HIS 88 88 6102 1 . ILE 89 89 6102 1 . GLU 90 90 6102 1 . GLN 91 91 6102 1 . VAL 92 92 6102 1 . GLU 93 93 6102 1 . THR 94 94 6102 1 . LEU 95 95 6102 1 . TYR 96 96 6102 1 . GLU 97 97 6102 1 . GLU 98 98 6102 1 . LEU 99 99 6102 1 . GLY 100 100 6102 1 . LYS 101 101 6102 1 . ILE 102 102 6102 1 . ASP 103 103 6102 1 . ILE 104 104 6102 1 . VAL 105 105 6102 1 . ARG 106 106 6102 1 . MET 107 107 6102 1 . VAL 108 108 6102 1 . LEU 109 109 6102 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 6102 _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 $YbeD . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6102 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 6102 _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 $YbeD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6102 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YbeD '[U-13C; U-15N]' . . 1 $YbeD . . 2 . . mM . . . . 6102 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 6102 1 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 6102 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 6102 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 6102 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 6102 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6102 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YbeD [U-15N] . . 1 $YbeD . . 2 . . mM . . . . 6102 2 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 6102 2 3 NaCl 'natural abundance' . . . . . . 300 . . mM . . . . 6102 2 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 6102 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 6102 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 6102 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6102 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YbeD . . . 1 $YbeD . . 2 . . mM . . . . 6102 3 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6102 3 3 NaCl . . . . . . . 300 . . mM . . . . 6102 3 4 'sodium azide' . . . . . . . 0.1 . . mM . . . . 6102 3 5 D2O . . . . . . . 100 . . % . . . . 6102 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6102 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 0.1 pH 6102 1 temperature 298 0.5 K 6102 1 'ionic strength' 300 . mM 6102 1 pressure 1 . atm 6102 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6102 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.1 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6102 1 processing 6102 1 stop_ save_ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 6102 _Software.ID 2 _Software.Name GIFA _Software.Version 4.31 _Software.Details Delsuc loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6102 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6102 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details Wuthrich loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6102 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6102 _Software.ID 4 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details Guentert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6102 4 stop_ save_ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 6102 _Software.ID 5 _Software.Name Xplor-NIH _Software.Version 2.9.2 _Software.Details Clore loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6102 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6102 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6102 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 6102 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 6102 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6102 1 2 HNHA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6102 1 3 '2D NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6102 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6102 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6102 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6102 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6102 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6102 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6102 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 23 23 MET CA C 13 55.4 0.20 . 1 . . . . 1 . . . 6102 1 2 . 1 1 23 23 MET CB C 13 32.1 0.20 . 1 . . . . 1 . . . 6102 1 3 . 1 1 24 24 LYS N N 15 121.2 0.25 . 1 . . . . 2 . . . 6102 1 4 . 1 1 24 24 LYS H H 1 8.29 0.01 . 1 . . . . 2 . . . 6102 1 5 . 1 1 24 24 LYS CA C 13 56.7 0.20 . 1 . . . . 2 . . . 6102 1 6 . 1 1 24 24 LYS CB C 13 32.3 0.20 . 1 . . . . 2 . . . 6102 1 7 . 1 1 25 25 THR N N 15 114.9 0.25 . 1 . . . . 3 . . . 6102 1 8 . 1 1 25 25 THR H H 1 8.04 0.01 . 1 . . . . 3 . . . 6102 1 9 . 1 1 25 25 THR CA C 13 62.4 0.20 . 1 . . . . 3 . . . 6102 1 10 . 1 1 25 25 THR CB C 13 67.9 0.20 . 1 . . . . 3 . . . 6102 1 11 . 1 1 26 26 LYS N N 15 122.1 0.25 . 1 . . . . 4 . . . 6102 1 12 . 1 1 26 26 LYS H H 1 8.16 0.01 . 1 . . . . 4 . . . 6102 1 13 . 1 1 26 26 LYS CA C 13 56.2 0.20 . 1 . . . . 4 . . . 6102 1 14 . 1 1 26 26 LYS CB C 13 30.1 0.20 . 1 . . . . 4 . . . 6102 1 15 . 1 1 27 27 LEU N N 15 120.6 0.25 . 1 . . . . 5 . . . 6102 1 16 . 1 1 27 27 LEU H H 1 8.23 0.01 . 1 . . . . 5 . . . 6102 1 17 . 1 1 27 27 LEU CA C 13 55.5 0.20 . 1 . . . . 5 . . . 6102 1 18 . 1 1 27 27 LEU CB C 13 41.1 0.20 . 1 . . . . 5 . . . 6102 1 19 . 1 1 28 28 ASN N N 15 117.3 0.25 . 1 . . . . 6 . . . 6102 1 20 . 1 1 28 28 ASN H H 1 8.20 0.01 . 1 . . . . 6 . . . 6102 1 21 . 1 1 28 28 ASN CA C 13 53.6 0.20 . 1 . . . . 6 . . . 6102 1 22 . 1 1 28 28 ASN CB C 13 38.1 0.20 . 1 . . . . 6 . . . 6102 1 23 . 1 1 29 29 GLU N N 15 117.7 0.25 . 1 . . . . 7 . . . 6102 1 24 . 1 1 29 29 GLU H H 1 7.85 0.01 . 1 . . . . 7 . . . 6102 1 25 . 1 1 29 29 GLU CA C 13 55.7 0.20 . 1 . . . . 7 . . . 6102 1 26 . 1 1 29 29 GLU CB C 13 30.0 0.20 . 1 . . . . 7 . . . 6102 1 27 . 1 1 30 30 LEU N N 15 121.1 0.25 . 1 . . . . 8 . . . 6102 1 28 . 1 1 30 30 LEU H H 1 7.71 0.01 . 1 . . . . 8 . . . 6102 1 29 . 1 1 30 30 LEU CA C 13 53.8 0.20 . 1 . . . . 8 . . . 6102 1 30 . 1 1 30 30 LEU HA H 1 4.23 0.01 . 1 . . . . 8 . . . 6102 1 31 . 1 1 30 30 LEU CB C 13 41.1 0.20 . 1 . . . . 8 . . . 6102 1 32 . 1 1 30 30 LEU HB2 H 1 1.67 0.01 . 1 . . . . 8 . . . 6102 1 33 . 1 1 30 30 LEU HD11 H 1 0.79 0.01 . 1 . . . . 8 . . . 6102 1 34 . 1 1 30 30 LEU HD12 H 1 0.79 0.01 . 1 . . . . 8 . . . 6102 1 35 . 1 1 30 30 LEU HD13 H 1 0.79 0.01 . 1 . . . . 8 . . . 6102 1 36 . 1 1 31 31 LEU N N 15 122.9 0.25 . 1 . . . . 9 . . . 6102 1 37 . 1 1 31 31 LEU H H 1 7.84 0.01 . 1 . . . . 9 . . . 6102 1 38 . 1 1 31 31 LEU CA C 13 54.1 0.20 . 1 . . . . 9 . . . 6102 1 39 . 1 1 31 31 LEU HA H 1 4.28 0.01 . 1 . . . . 9 . . . 6102 1 40 . 1 1 31 31 LEU CB C 13 42.7 0.20 . 1 . . . . 9 . . . 6102 1 41 . 1 1 31 31 LEU HB2 H 1 1.48 0.01 . 1 . . . . 9 . . . 6102 1 42 . 1 1 31 31 LEU HG H 1 1.06 0.01 . 1 . . . . 9 . . . 6102 1 43 . 1 1 31 31 LEU HD11 H 1 0.80 0.01 . 1 . . . . 9 . . . 6102 1 44 . 1 1 31 31 LEU HD12 H 1 0.80 0.01 . 1 . . . . 9 . . . 6102 1 45 . 1 1 31 31 LEU HD13 H 1 0.80 0.01 . 1 . . . . 9 . . . 6102 1 46 . 1 1 32 32 GLU N N 15 120.8 0.25 . 1 . . . . 10 . . . 6102 1 47 . 1 1 32 32 GLU H H 1 7.77 0.01 . 1 . . . . 10 . . . 6102 1 48 . 1 1 32 32 GLU CA C 13 55.2 0.20 . 1 . . . . 10 . . . 6102 1 49 . 1 1 32 32 GLU HA H 1 4.21 0.01 . 1 . . . . 10 . . . 6102 1 50 . 1 1 32 32 GLU CB C 13 30.2 0.20 . 1 . . . . 10 . . . 6102 1 51 . 1 1 32 32 GLU HB2 H 1 1.75 0.01 . 1 . . . . 10 . . . 6102 1 52 . 1 1 32 32 GLU HG2 H 1 2.10 0.01 . 1 . . . . 10 . . . 6102 1 53 . 1 1 33 33 PHE N N 15 117.8 0.25 . 1 . . . . 11 . . . 6102 1 54 . 1 1 33 33 PHE H H 1 8.53 0.01 . 1 . . . . 11 . . . 6102 1 55 . 1 1 33 33 PHE HA H 1 3.87 0.01 . 1 . . . . 11 . . . 6102 1 56 . 1 1 33 33 PHE HB2 H 1 3.12 0.01 . 2 . . . . 11 . . . 6102 1 57 . 1 1 33 33 PHE HB3 H 1 3.04 0.01 . 2 . . . . 11 . . . 6102 1 58 . 1 1 33 33 PHE HD1 H 1 7.03 0.01 . 1 . . . . 11 . . . 6102 1 59 . 1 1 33 33 PHE HE1 H 1 7.29 0.01 . 1 . . . . 11 . . . 6102 1 60 . 1 1 34 34 PRO CA C 13 61.2 0.20 . 1 . . . . 12 . . . 6102 1 61 . 1 1 34 34 PRO HA H 1 5.41 0.01 . 1 . . . . 12 . . . 6102 1 62 . 1 1 34 34 PRO CB C 13 34.7 0.20 . 1 . . . . 12 . . . 6102 1 63 . 1 1 34 34 PRO HB2 H 1 2.19 0.01 . 1 . . . . 12 . . . 6102 1 64 . 1 1 35 35 THR N N 15 117.6 0.25 . 1 . . . . 13 . . . 6102 1 65 . 1 1 35 35 THR H H 1 8.76 0.01 . 1 . . . . 13 . . . 6102 1 66 . 1 1 35 35 THR CA C 13 57.2 0.20 . 1 . . . . 13 . . . 6102 1 67 . 1 1 35 35 THR HA H 1 5.12 0.01 . 1 . . . . 13 . . . 6102 1 68 . 1 1 35 35 THR HB H 1 4.24 0.01 . 1 . . . . 13 . . . 6102 1 69 . 1 1 35 35 THR HG21 H 1 0.92 0.01 . 1 . . . . 13 . . . 6102 1 70 . 1 1 35 35 THR HG22 H 1 0.92 0.01 . 1 . . . . 13 . . . 6102 1 71 . 1 1 35 35 THR HG23 H 1 0.92 0.01 . 1 . . . . 13 . . . 6102 1 72 . 1 1 36 36 PRO CA C 13 61.5 0.20 . 1 . . . . 14 . . . 6102 1 73 . 1 1 36 36 PRO HA H 1 5.39 0.01 . 1 . . . . 14 . . . 6102 1 74 . 1 1 36 36 PRO CB C 13 31.6 0.20 . 1 . . . . 14 . . . 6102 1 75 . 1 1 36 36 PRO HB2 H 1 1.09 0.01 . 1 . . . . 14 . . . 6102 1 76 . 1 1 36 36 PRO HG2 H 1 1.77 0.01 . 1 . . . . 14 . . . 6102 1 77 . 1 1 37 37 PHE N N 15 126.5 0.25 . 1 . . . . 15 . . . 6102 1 78 . 1 1 37 37 PHE H H 1 9.20 0.01 . 1 . . . . 15 . . . 6102 1 79 . 1 1 37 37 PHE CA C 13 58.2 0.20 . 1 . . . . 15 . . . 6102 1 80 . 1 1 37 37 PHE HA H 1 4.34 0.01 . 1 . . . . 15 . . . 6102 1 81 . 1 1 37 37 PHE CB C 13 43.2 0.20 . 1 . . . . 15 . . . 6102 1 82 . 1 1 37 37 PHE HB2 H 1 2.77 0.01 . 2 . . . . 15 . . . 6102 1 83 . 1 1 37 37 PHE HB3 H 1 2.64 0.01 . 2 . . . . 15 . . . 6102 1 84 . 1 1 37 37 PHE HD1 H 1 6.54 0.01 . 1 . . . . 15 . . . 6102 1 85 . 1 1 37 37 PHE HE1 H 1 6.61 0.01 . 1 . . . . 15 . . . 6102 1 86 . 1 1 38 38 THR N N 15 126.1 0.25 . 1 . . . . 16 . . . 6102 1 87 . 1 1 38 38 THR H H 1 7.88 0.01 . 1 . . . . 16 . . . 6102 1 88 . 1 1 38 38 THR CA C 13 60.7 0.20 . 1 . . . . 16 . . . 6102 1 89 . 1 1 38 38 THR HA H 1 5.01 0.01 . 1 . . . . 16 . . . 6102 1 90 . 1 1 38 38 THR CB C 13 69.0 0.20 . 1 . . . . 16 . . . 6102 1 91 . 1 1 38 38 THR HB H 1 3.45 0.01 . 1 . . . . 16 . . . 6102 1 92 . 1 1 38 38 THR HG21 H 1 0.96 0.01 . 1 . . . . 16 . . . 6102 1 93 . 1 1 38 38 THR HG22 H 1 0.96 0.01 . 1 . . . . 16 . . . 6102 1 94 . 1 1 38 38 THR HG23 H 1 0.96 0.01 . 1 . . . . 16 . . . 6102 1 95 . 1 1 39 39 TYR N N 15 126.3 0.25 . 1 . . . . 17 . . . 6102 1 96 . 1 1 39 39 TYR H H 1 9.00 0.01 . 1 . . . . 17 . . . 6102 1 97 . 1 1 39 39 TYR CA C 13 56.7 0.20 . 1 . . . . 17 . . . 6102 1 98 . 1 1 39 39 TYR HA H 1 4.50 0.01 . 1 . . . . 17 . . . 6102 1 99 . 1 1 39 39 TYR CB C 13 40.6 0.20 . 1 . . . . 17 . . . 6102 1 100 . 1 1 39 39 TYR HB2 H 1 2.58 0.01 . 2 . . . . 17 . . . 6102 1 101 . 1 1 39 39 TYR HB3 H 1 2.46 0.01 . 2 . . . . 17 . . . 6102 1 102 . 1 1 39 39 TYR HE1 H 1 6.91 0.01 . 1 . . . . 17 . . . 6102 1 103 . 1 1 39 39 TYR HD1 H 1 6.62 0.01 . 1 . . . . 17 . . . 6102 1 104 . 1 1 40 40 LYS N N 15 122.9 0.25 . 1 . . . . 18 . . . 6102 1 105 . 1 1 40 40 LYS H H 1 8.91 0.01 . 1 . . . . 18 . . . 6102 1 106 . 1 1 40 40 LYS CA C 13 54.1 0.20 . 1 . . . . 18 . . . 6102 1 107 . 1 1 40 40 LYS CB C 13 33.3 0.20 . 1 . . . . 18 . . . 6102 1 108 . 1 1 40 40 LYS HB2 H 1 1.68 0.01 . 2 . . . . 18 . . . 6102 1 109 . 1 1 40 40 LYS HB3 H 1 1.57 0.01 . 2 . . . . 18 . . . 6102 1 110 . 1 1 40 40 LYS HG2 H 1 1.18 0.01 . 1 . . . . 18 . . . 6102 1 111 . 1 1 41 41 VAL N N 15 126.5 0.25 . 1 . . . . 19 . . . 6102 1 112 . 1 1 41 41 VAL H H 1 9.46 0.01 . 1 . . . . 19 . . . 6102 1 113 . 1 1 41 41 VAL CA C 13 60.5 0.20 . 1 . . . . 19 . . . 6102 1 114 . 1 1 41 41 VAL HA H 1 4.43 0.01 . 1 . . . . 19 . . . 6102 1 115 . 1 1 41 41 VAL CB C 13 33.3 0.20 . 1 . . . . 19 . . . 6102 1 116 . 1 1 41 41 VAL HB H 1 2.19 0.01 . 1 . . . . 19 . . . 6102 1 117 . 1 1 41 41 VAL HG11 H 1 0.94 0.01 . 1 . . . . 19 . . . 6102 1 118 . 1 1 41 41 VAL HG12 H 1 0.94 0.01 . 1 . . . . 19 . . . 6102 1 119 . 1 1 41 41 VAL HG13 H 1 0.94 0.01 . 1 . . . . 19 . . . 6102 1 120 . 1 1 41 41 VAL HG21 H 1 0.89 0.01 . 1 . . . . 19 . . . 6102 1 121 . 1 1 41 41 VAL HG22 H 1 0.89 0.01 . 1 . . . . 19 . . . 6102 1 122 . 1 1 41 41 VAL HG23 H 1 0.89 0.01 . 1 . . . . 19 . . . 6102 1 123 . 1 1 42 42 MET N N 15 126.9 0.25 . 1 . . . . 20 . . . 6102 1 124 . 1 1 42 42 MET H H 1 9.10 0.01 . 1 . . . . 20 . . . 6102 1 125 . 1 1 42 42 MET CA C 13 52.7 0.20 . 1 . . . . 20 . . . 6102 1 126 . 1 1 42 42 MET HA H 1 5.59 0.01 . 1 . . . . 20 . . . 6102 1 127 . 1 1 42 42 MET CB C 13 33.8 0.20 . 1 . . . . 20 . . . 6102 1 128 . 1 1 42 42 MET HB2 H 1 1.97 0.01 . 1 . . . . 20 . . . 6102 1 129 . 1 1 42 42 MET HG2 H 1 2.42 0.01 . 1 . . . . 20 . . . 6102 1 130 . 1 1 43 43 GLY N N 15 111.9 0.25 . 1 . . . . 21 . . . 6102 1 131 . 1 1 43 43 GLY H H 1 9.22 0.01 . 1 . . . . 21 . . . 6102 1 132 . 1 1 43 43 GLY CA C 13 45.1 0.20 . 1 . . . . 21 . . . 6102 1 133 . 1 1 43 43 GLY HA2 H 1 4.67 0.01 . 2 . . . . 21 . . . 6102 1 134 . 1 1 43 43 GLY HA3 H 1 4.14 0.01 . 2 . . . . 21 . . . 6102 1 135 . 1 1 44 44 GLN N N 15 118.4 0.25 . 1 . . . . 22 . . . 6102 1 136 . 1 1 44 44 GLN H H 1 8.32 0.01 . 1 . . . . 22 . . . 6102 1 137 . 1 1 44 44 GLN CA C 13 56.1 0.20 . 1 . . . . 22 . . . 6102 1 138 . 1 1 44 44 GLN HA H 1 4.15 0.01 . 1 . . . . 22 . . . 6102 1 139 . 1 1 44 44 GLN CB C 13 30.0 0.20 . 1 . . . . 22 . . . 6102 1 140 . 1 1 44 44 GLN HB2 H 1 2.12 0.01 . 2 . . . . 22 . . . 6102 1 141 . 1 1 44 44 GLN HB3 H 1 2.07 0.01 . 2 . . . . 22 . . . 6102 1 142 . 1 1 44 44 GLN HG2 H 1 2.46 0.01 . 2 . . . . 22 . . . 6102 1 143 . 1 1 44 44 GLN HG3 H 1 2.40 0.01 . 2 . . . . 22 . . . 6102 1 144 . 1 1 45 45 ALA N N 15 123.5 0.25 . 1 . . . . 23 . . . 6102 1 145 . 1 1 45 45 ALA H H 1 7.74 0.01 . 1 . . . . 23 . . . 6102 1 146 . 1 1 45 45 ALA CA C 13 50.2 0.20 . 1 . . . . 23 . . . 6102 1 147 . 1 1 45 45 ALA HA H 1 3.10 0.01 . 1 . . . . 23 . . . 6102 1 148 . 1 1 45 45 ALA HB1 H 1 0.52 0.01 . 1 . . . . 23 . . . 6102 1 149 . 1 1 45 45 ALA HB2 H 1 0.52 0.01 . 1 . . . . 23 . . . 6102 1 150 . 1 1 45 45 ALA HB3 H 1 0.52 0.01 . 1 . . . . 23 . . . 6102 1 151 . 1 1 45 45 ALA CB C 13 16.2 0.20 . 1 . . . . 23 . . . 6102 1 152 . 1 1 46 46 LEU N N 15 127.0 0.25 . 1 . . . . 24 . . . 6102 1 153 . 1 1 46 46 LEU H H 1 8.32 0.01 . 1 . . . . 24 . . . 6102 1 154 . 1 1 46 46 LEU HA H 1 4.81 0.01 . 1 . . . . 24 . . . 6102 1 155 . 1 1 46 46 LEU HB2 H 1 1.77 0.01 . 1 . . . . 24 . . . 6102 1 156 . 1 1 46 46 LEU HD11 H 1 0.84 0.01 . 1 . . . . 24 . . . 6102 1 157 . 1 1 46 46 LEU HD12 H 1 0.84 0.01 . 1 . . . . 24 . . . 6102 1 158 . 1 1 46 46 LEU HD13 H 1 0.84 0.01 . 1 . . . . 24 . . . 6102 1 159 . 1 1 46 46 LEU HD21 H 1 0.79 0.01 . 1 . . . . 24 . . . 6102 1 160 . 1 1 46 46 LEU HD22 H 1 0.79 0.01 . 1 . . . . 24 . . . 6102 1 161 . 1 1 46 46 LEU HD23 H 1 0.79 0.01 . 1 . . . . 24 . . . 6102 1 162 . 1 1 47 47 PRO CA C 13 64.1 0.20 . 1 . . . . 25 . . . 6102 1 163 . 1 1 47 47 PRO CB C 13 31.8 0.20 . 1 . . . . 25 . . . 6102 1 164 . 1 1 47 47 PRO HB2 H 1 2.40 0.01 . 1 . . . . 25 . . . 6102 1 165 . 1 1 47 47 PRO HG2 H 1 1.77 0.01 . 1 . . . . 25 . . . 6102 1 166 . 1 1 48 48 GLU N N 15 115.3 0.25 . 1 . . . . 26 . . . 6102 1 167 . 1 1 48 48 GLU H H 1 9.56 0.01 . 1 . . . . 26 . . . 6102 1 168 . 1 1 48 48 GLU CA C 13 57.4 0.20 . 1 . . . . 26 . . . 6102 1 169 . 1 1 48 48 GLU HA H 1 4.28 0.01 . 1 . . . . 26 . . . 6102 1 170 . 1 1 48 48 GLU CB C 13 28.3 0.20 . 1 . . . . 26 . . . 6102 1 171 . 1 1 48 48 GLU HB2 H 1 2.08 0.01 . 1 . . . . 26 . . . 6102 1 172 . 1 1 48 48 GLU HG2 H 1 2.26 0.01 . 2 . . . . 26 . . . 6102 1 173 . 1 1 48 48 GLU HG3 H 1 2.21 0.01 . 2 . . . . 26 . . . 6102 1 174 . 1 1 49 49 LEU N N 15 121.9 0.25 . 1 . . . . 27 . . . 6102 1 175 . 1 1 49 49 LEU H H 1 7.76 0.01 . 1 . . . . 27 . . . 6102 1 176 . 1 1 49 49 LEU CA C 13 58.1 0.20 . 1 . . . . 27 . . . 6102 1 177 . 1 1 49 49 LEU HA H 1 4.26 0.01 . 1 . . . . 27 . . . 6102 1 178 . 1 1 49 49 LEU CB C 13 40.3 0.20 . 1 . . . . 27 . . . 6102 1 179 . 1 1 49 49 LEU HB2 H 1 1.75 0.01 . 1 . . . . 27 . . . 6102 1 180 . 1 1 49 49 LEU HD11 H 1 0.90 0.01 . 1 . . . . 27 . . . 6102 1 181 . 1 1 49 49 LEU HD12 H 1 0.90 0.01 . 1 . . . . 27 . . . 6102 1 182 . 1 1 49 49 LEU HD13 H 1 0.90 0.01 . 1 . . . . 27 . . . 6102 1 183 . 1 1 50 50 VAL N N 15 115.4 0.25 . 1 . . . . 28 . . . 6102 1 184 . 1 1 50 50 VAL H H 1 7.41 0.01 . 1 . . . . 28 . . . 6102 1 185 . 1 1 50 50 VAL CA C 13 65.6 0.20 . 1 . . . . 28 . . . 6102 1 186 . 1 1 50 50 VAL HA H 1 3.37 0.01 . 1 . . . . 28 . . . 6102 1 187 . 1 1 50 50 VAL CB C 13 31.1 0.20 . 1 . . . . 28 . . . 6102 1 188 . 1 1 50 50 VAL HB H 1 2.06 0.01 . 1 . . . . 28 . . . 6102 1 189 . 1 1 50 50 VAL HG11 H 1 0.97 0.01 . 1 . . . . 28 . . . 6102 1 190 . 1 1 50 50 VAL HG12 H 1 0.97 0.01 . 1 . . . . 28 . . . 6102 1 191 . 1 1 50 50 VAL HG13 H 1 0.97 0.01 . 1 . . . . 28 . . . 6102 1 192 . 1 1 51 51 ASP N N 15 118.1 0.25 . 1 . . . . 29 . . . 6102 1 193 . 1 1 51 51 ASP H H 1 7.05 0.01 . 1 . . . . 29 . . . 6102 1 194 . 1 1 51 51 ASP CA C 13 56.2 0.20 . 1 . . . . 29 . . . 6102 1 195 . 1 1 51 51 ASP HA H 1 4.26 0.01 . 1 . . . . 29 . . . 6102 1 196 . 1 1 51 51 ASP CB C 13 39.9 0.20 . 1 . . . . 29 . . . 6102 1 197 . 1 1 51 51 ASP HB2 H 1 2.62 0.01 . 1 . . . . 29 . . . 6102 1 198 . 1 1 52 52 GLN N N 15 118.5 0.25 . 1 . . . . 30 . . . 6102 1 199 . 1 1 52 52 GLN H H 1 8.25 0.01 . 1 . . . . 30 . . . 6102 1 200 . 1 1 52 52 GLN CA C 13 58.3 0.20 . 1 . . . . 30 . . . 6102 1 201 . 1 1 52 52 GLN HA H 1 4.08 0.01 . 1 . . . . 30 . . . 6102 1 202 . 1 1 52 52 GLN CB C 13 28.9 0.20 . 1 . . . . 30 . . . 6102 1 203 . 1 1 52 52 GLN HB2 H 1 2.09 0.01 . 1 . . . . 30 . . . 6102 1 204 . 1 1 52 52 GLN HG2 H 1 2.31 0.01 . 1 . . . . 30 . . . 6102 1 205 . 1 1 53 53 VAL N N 15 119.7 0.25 . 1 . . . . 31 . . . 6102 1 206 . 1 1 53 53 VAL H H 1 8.06 0.01 . 1 . . . . 31 . . . 6102 1 207 . 1 1 53 53 VAL CA C 13 65.3 0.20 . 1 . . . . 31 . . . 6102 1 208 . 1 1 53 53 VAL HA H 1 3.31 0.01 . 1 . . . . 31 . . . 6102 1 209 . 1 1 53 53 VAL CB C 13 31.5 0.20 . 1 . . . . 31 . . . 6102 1 210 . 1 1 53 53 VAL HB H 1 2.19 0.01 . 1 . . . . 31 . . . 6102 1 211 . 1 1 53 53 VAL HG11 H 1 0.92 0.01 . 1 . . . . 31 . . . 6102 1 212 . 1 1 53 53 VAL HG12 H 1 0.92 0.01 . 1 . . . . 31 . . . 6102 1 213 . 1 1 53 53 VAL HG13 H 1 0.92 0.01 . 1 . . . . 31 . . . 6102 1 214 . 1 1 53 53 VAL HG21 H 1 0.69 0.01 . 1 . . . . 31 . . . 6102 1 215 . 1 1 53 53 VAL HG22 H 1 0.69 0.01 . 1 . . . . 31 . . . 6102 1 216 . 1 1 53 53 VAL HG23 H 1 0.69 0.01 . 1 . . . . 31 . . . 6102 1 217 . 1 1 54 54 VAL N N 15 118.2 0.25 . 1 . . . . 32 . . . 6102 1 218 . 1 1 54 54 VAL H H 1 8.39 0.01 . 1 . . . . 32 . . . 6102 1 219 . 1 1 54 54 VAL CA C 13 66.1 0.20 . 1 . . . . 32 . . . 6102 1 220 . 1 1 54 54 VAL HA H 1 3.08 0.01 . 1 . . . . 32 . . . 6102 1 221 . 1 1 54 54 VAL CB C 13 31.3 0.20 . 1 . . . . 32 . . . 6102 1 222 . 1 1 54 54 VAL HB H 1 2.10 0.01 . 1 . . . . 32 . . . 6102 1 223 . 1 1 54 54 VAL HG11 H 1 0.95 0.01 . 1 . . . . 32 . . . 6102 1 224 . 1 1 54 54 VAL HG12 H 1 0.95 0.01 . 1 . . . . 32 . . . 6102 1 225 . 1 1 54 54 VAL HG13 H 1 0.95 0.01 . 1 . . . . 32 . . . 6102 1 226 . 1 1 55 55 GLU N N 15 118.5 0.25 . 1 . . . . 33 . . . 6102 1 227 . 1 1 55 55 GLU H H 1 7.88 0.01 . 1 . . . . 33 . . . 6102 1 228 . 1 1 55 55 GLU CA C 13 58.6 0.20 . 1 . . . . 33 . . . 6102 1 229 . 1 1 55 55 GLU HA H 1 3.97 0.01 . 1 . . . . 33 . . . 6102 1 230 . 1 1 55 55 GLU CB C 13 29.4 0.20 . 1 . . . . 33 . . . 6102 1 231 . 1 1 55 55 GLU HB2 H 1 2.09 0.01 . 1 . . . . 33 . . . 6102 1 232 . 1 1 55 55 GLU HG2 H 1 2.30 0.01 . 1 . . . . 33 . . . 6102 1 233 . 1 1 56 56 VAL N N 15 118.6 0.25 . 1 . . . . 34 . . . 6102 1 234 . 1 1 56 56 VAL H H 1 7.51 0.01 . 1 . . . . 34 . . . 6102 1 235 . 1 1 56 56 VAL CA C 13 65.6 0.20 . 1 . . . . 34 . . . 6102 1 236 . 1 1 56 56 VAL HA H 1 3.46 0.01 . 1 . . . . 34 . . . 6102 1 237 . 1 1 56 56 VAL CB C 13 31.5 0.20 . 1 . . . . 34 . . . 6102 1 238 . 1 1 56 56 VAL HB H 1 2.06 0.01 . 1 . . . . 34 . . . 6102 1 239 . 1 1 56 56 VAL HG11 H 1 1.04 0.01 . 1 . . . . 34 . . . 6102 1 240 . 1 1 56 56 VAL HG12 H 1 1.04 0.01 . 1 . . . . 34 . . . 6102 1 241 . 1 1 56 56 VAL HG13 H 1 1.04 0.01 . 1 . . . . 34 . . . 6102 1 242 . 1 1 56 56 VAL HG21 H 1 0.74 0.01 . 1 . . . . 34 . . . 6102 1 243 . 1 1 56 56 VAL HG22 H 1 0.74 0.01 . 1 . . . . 34 . . . 6102 1 244 . 1 1 56 56 VAL HG23 H 1 0.74 0.01 . 1 . . . . 34 . . . 6102 1 245 . 1 1 57 57 VAL N N 15 119.1 0.25 . 1 . . . . 35 . . . 6102 1 246 . 1 1 57 57 VAL H H 1 8.16 0.01 . 1 . . . . 35 . . . 6102 1 247 . 1 1 57 57 VAL CA C 13 65.6 0.20 . 1 . . . . 35 . . . 6102 1 248 . 1 1 57 57 VAL HA H 1 3.50 0.01 . 1 . . . . 35 . . . 6102 1 249 . 1 1 57 57 VAL CB C 13 30.7 0.20 . 1 . . . . 35 . . . 6102 1 250 . 1 1 57 57 VAL HB H 1 1.76 0.01 . 1 . . . . 35 . . . 6102 1 251 . 1 1 57 57 VAL HG11 H 1 0.72 0.01 . 1 . . . . 35 . . . 6102 1 252 . 1 1 57 57 VAL HG12 H 1 0.72 0.01 . 1 . . . . 35 . . . 6102 1 253 . 1 1 57 57 VAL HG13 H 1 0.72 0.01 . 1 . . . . 35 . . . 6102 1 254 . 1 1 57 57 VAL HG21 H 1 0.39 0.01 . 1 . . . . 35 . . . 6102 1 255 . 1 1 57 57 VAL HG22 H 1 0.39 0.01 . 1 . . . . 35 . . . 6102 1 256 . 1 1 57 57 VAL HG23 H 1 0.39 0.01 . 1 . . . . 35 . . . 6102 1 257 . 1 1 58 58 GLN N N 15 116.4 0.25 . 1 . . . . 36 . . . 6102 1 258 . 1 1 58 58 GLN H H 1 8.79 0.01 . 1 . . . . 36 . . . 6102 1 259 . 1 1 58 58 GLN CA C 13 57.3 0.20 . 1 . . . . 36 . . . 6102 1 260 . 1 1 58 58 GLN HA H 1 4.13 0.01 . 1 . . . . 36 . . . 6102 1 261 . 1 1 58 58 GLN CB C 13 28.3 0.20 . 1 . . . . 36 . . . 6102 1 262 . 1 1 58 58 GLN HB2 H 1 2.19 0.01 . 2 . . . . 36 . . . 6102 1 263 . 1 1 58 58 GLN HB3 H 1 2.07 0.01 . 2 . . . . 36 . . . 6102 1 264 . 1 1 58 58 GLN HG2 H 1 2.74 0.01 . 1 . . . . 36 . . . 6102 1 265 . 1 1 59 59 ARG N N 15 116.0 0.25 . 1 . . . . 37 . . . 6102 1 266 . 1 1 59 59 ARG H H 1 7.25 0.01 . 1 . . . . 37 . . . 6102 1 267 . 1 1 59 59 ARG CA C 13 57.6 0.20 . 1 . . . . 37 . . . 6102 1 268 . 1 1 59 59 ARG HA H 1 3.85 0.01 . 1 . . . . 37 . . . 6102 1 269 . 1 1 59 59 ARG CB C 13 30.2 0.20 . 1 . . . . 37 . . . 6102 1 270 . 1 1 59 59 ARG HB2 H 1 1.72 0.01 . 1 . . . . 37 . . . 6102 1 271 . 1 1 59 59 ARG HG2 H 1 1.47 0.01 . 2 . . . . 37 . . . 6102 1 272 . 1 1 59 59 ARG HG3 H 1 1.20 0.01 . 2 . . . . 37 . . . 6102 1 273 . 1 1 60 60 HIS N N 15 113.8 0.25 . 1 . . . . 38 . . . 6102 1 274 . 1 1 60 60 HIS H H 1 7.00 0.01 . 1 . . . . 38 . . . 6102 1 275 . 1 1 60 60 HIS CA C 13 55.5 0.20 . 1 . . . . 38 . . . 6102 1 276 . 1 1 60 60 HIS HA H 1 4.65 0.01 . 1 . . . . 38 . . . 6102 1 277 . 1 1 60 60 HIS CB C 13 32.7 0.20 . 1 . . . . 38 . . . 6102 1 278 . 1 1 60 60 HIS HB2 H 1 3.18 0.01 . 2 . . . . 38 . . . 6102 1 279 . 1 1 60 60 HIS HB3 H 1 2.57 0.01 . 2 . . . . 38 . . . 6102 1 280 . 1 1 60 60 HIS HD2 H 1 7.06 0.01 . 1 . . . . 38 . . . 6102 1 281 . 1 1 60 60 HIS HE1 H 1 8.26 0.01 . 1 . . . . 38 . . . 6102 1 282 . 1 1 61 61 ALA N N 15 125.6 0.25 . 1 . . . . 39 . . . 6102 1 283 . 1 1 61 61 ALA H H 1 9.02 0.01 . 1 . . . . 39 . . . 6102 1 284 . 1 1 61 61 ALA CA C 13 49.2 0.20 . 1 . . . . 39 . . . 6102 1 285 . 1 1 61 61 ALA HA H 1 4.74 0.01 . 1 . . . . 39 . . . 6102 1 286 . 1 1 61 61 ALA HB1 H 1 1.25 0.01 . 1 . . . . 39 . . . 6102 1 287 . 1 1 61 61 ALA HB2 H 1 1.25 0.01 . 1 . . . . 39 . . . 6102 1 288 . 1 1 61 61 ALA HB3 H 1 1.25 0.01 . 1 . . . . 39 . . . 6102 1 289 . 1 1 62 62 PRO CA C 13 62.7 0.20 . 1 . . . . 40 . . . 6102 1 290 . 1 1 62 62 PRO CB C 13 31.7 0.20 . 1 . . . . 40 . . . 6102 1 291 . 1 1 62 62 PRO HB2 H 1 2.48 0.01 . 2 . . . . 40 . . . 6102 1 292 . 1 1 62 62 PRO HB3 H 1 2.30 0.01 . 2 . . . . 40 . . . 6102 1 293 . 1 1 62 62 PRO HG2 H 1 2.04 0.01 . 2 . . . . 40 . . . 6102 1 294 . 1 1 62 62 PRO HG3 H 1 1.91 0.01 . 2 . . . . 40 . . . 6102 1 295 . 1 1 63 63 GLY N N 15 110.7 0.25 . 1 . . . . 41 . . . 6102 1 296 . 1 1 63 63 GLY H H 1 8.58 0.01 . 1 . . . . 41 . . . 6102 1 297 . 1 1 63 63 GLY CA C 13 44.1 0.20 . 1 . . . . 41 . . . 6102 1 298 . 1 1 63 63 GLY HA2 H 1 3.77 0.01 . 1 . . . . 41 . . . 6102 1 299 . 1 1 64 64 ASP N N 15 119.3 0.25 . 1 . . . . 42 . . . 6102 1 300 . 1 1 64 64 ASP H H 1 7.88 0.01 . 1 . . . . 42 . . . 6102 1 301 . 1 1 64 64 ASP CA C 13 52.1 0.20 . 1 . . . . 42 . . . 6102 1 302 . 1 1 64 64 ASP HA H 1 4.80 0.01 . 1 . . . . 42 . . . 6102 1 303 . 1 1 64 64 ASP CB C 13 41.4 0.20 . 1 . . . . 42 . . . 6102 1 304 . 1 1 64 64 ASP HB2 H 1 2.48 0.01 . 2 . . . . 42 . . . 6102 1 305 . 1 1 64 64 ASP HB3 H 1 2.29 0.01 . 2 . . . . 42 . . . 6102 1 306 . 1 1 65 65 TYR N N 15 120.7 0.25 . 1 . . . . 43 . . . 6102 1 307 . 1 1 65 65 TYR H H 1 8.60 0.01 . 1 . . . . 43 . . . 6102 1 308 . 1 1 65 65 TYR CA C 13 56.8 0.20 . 1 . . . . 43 . . . 6102 1 309 . 1 1 65 65 TYR HA H 1 4.73 0.01 . 1 . . . . 43 . . . 6102 1 310 . 1 1 65 65 TYR CB C 13 42.7 0.20 . 1 . . . . 43 . . . 6102 1 311 . 1 1 65 65 TYR HB2 H 1 2.83 0.01 . 2 . . . . 43 . . . 6102 1 312 . 1 1 65 65 TYR HB3 H 1 2.58 0.01 . 2 . . . . 43 . . . 6102 1 313 . 1 1 65 65 TYR HE1 H 1 6.87 0.01 . 1 . . . . 43 . . . 6102 1 314 . 1 1 65 65 TYR HD1 H 1 7.01 0.01 . 1 . . . . 43 . . . 6102 1 315 . 1 1 66 66 THR N N 15 116.7 0.25 . 1 . . . . 44 . . . 6102 1 316 . 1 1 66 66 THR H H 1 9.01 0.01 . 1 . . . . 44 . . . 6102 1 317 . 1 1 66 66 THR CA C 13 57.1 0.20 . 1 . . . . 44 . . . 6102 1 318 . 1 1 66 66 THR HA H 1 4.74 0.01 . 1 . . . . 44 . . . 6102 1 319 . 1 1 66 66 THR HB H 1 4.13 0.01 . 1 . . . . 44 . . . 6102 1 320 . 1 1 66 66 THR HG21 H 1 1.17 0.01 . 1 . . . . 44 . . . 6102 1 321 . 1 1 66 66 THR HG22 H 1 1.17 0.01 . 1 . . . . 44 . . . 6102 1 322 . 1 1 66 66 THR HG23 H 1 1.17 0.01 . 1 . . . . 44 . . . 6102 1 323 . 1 1 67 67 PRO CA C 13 61.2 0.20 . 1 . . . . 45 . . . 6102 1 324 . 1 1 67 67 PRO CB C 13 32.9 0.20 . 1 . . . . 45 . . . 6102 1 325 . 1 1 67 67 PRO HB2 H 1 1.68 0.01 . 1 . . . . 45 . . . 6102 1 326 . 1 1 67 67 PRO HG2 H 1 2.03 0.01 . 1 . . . . 45 . . . 6102 1 327 . 1 1 68 68 THR N N 15 115.4 0.25 . 1 . . . . 46 . . . 6102 1 328 . 1 1 68 68 THR H H 1 8.43 0.01 . 1 . . . . 46 . . . 6102 1 329 . 1 1 68 68 THR CA C 13 60.3 0.20 . 1 . . . . 46 . . . 6102 1 330 . 1 1 68 68 THR HA H 1 4.54 0.01 . 1 . . . . 46 . . . 6102 1 331 . 1 1 68 68 THR CB C 13 68.8 0.20 . 1 . . . . 46 . . . 6102 1 332 . 1 1 68 68 THR HB H 1 4.05 0.01 . 1 . . . . 46 . . . 6102 1 333 . 1 1 68 68 THR HG21 H 1 1.18 0.01 . 1 . . . . 46 . . . 6102 1 334 . 1 1 68 68 THR HG22 H 1 1.18 0.01 . 1 . . . . 46 . . . 6102 1 335 . 1 1 68 68 THR HG23 H 1 1.18 0.01 . 1 . . . . 46 . . . 6102 1 336 . 1 1 69 69 VAL N N 15 127.5 0.25 . 1 . . . . 47 . . . 6102 1 337 . 1 1 69 69 VAL H H 1 8.85 0.01 . 1 . . . . 47 . . . 6102 1 338 . 1 1 69 69 VAL CA C 13 60.0 0.20 . 1 . . . . 47 . . . 6102 1 339 . 1 1 69 69 VAL HA H 1 4.78 0.01 . 1 . . . . 47 . . . 6102 1 340 . 1 1 69 69 VAL CB C 13 33.2 0.20 . 1 . . . . 47 . . . 6102 1 341 . 1 1 69 69 VAL HB H 1 1.79 0.01 . 1 . . . . 47 . . . 6102 1 342 . 1 1 69 69 VAL HG11 H 1 0.80 0.01 . 1 . . . . 47 . . . 6102 1 343 . 1 1 69 69 VAL HG12 H 1 0.80 0.01 . 1 . . . . 47 . . . 6102 1 344 . 1 1 69 69 VAL HG13 H 1 0.80 0.01 . 1 . . . . 47 . . . 6102 1 345 . 1 1 69 69 VAL HG21 H 1 0.50 0.01 . 1 . . . . 47 . . . 6102 1 346 . 1 1 69 69 VAL HG22 H 1 0.50 0.01 . 1 . . . . 47 . . . 6102 1 347 . 1 1 69 69 VAL HG23 H 1 0.50 0.01 . 1 . . . . 47 . . . 6102 1 348 . 1 1 70 70 LYS N N 15 127.8 0.25 . 1 . . . . 48 . . . 6102 1 349 . 1 1 70 70 LYS H H 1 8.80 0.01 . 1 . . . . 48 . . . 6102 1 350 . 1 1 70 70 LYS CA C 13 51.9 0.20 . 1 . . . . 48 . . . 6102 1 351 . 1 1 70 70 LYS HA H 1 4.84 0.01 . 1 . . . . 48 . . . 6102 1 352 . 1 1 70 70 LYS HB2 H 1 1.60 0.01 . 1 . . . . 48 . . . 6102 1 353 . 1 1 70 70 LYS HG2 H 1 1.35 0.01 . 1 . . . . 48 . . . 6102 1 354 . 1 1 71 71 PRO CA C 13 61.7 0.20 . 1 . . . . 49 . . . 6102 1 355 . 1 1 71 71 PRO CB C 13 31.7 0.20 . 1 . . . . 49 . . . 6102 1 356 . 1 1 72 72 SER N N 15 122.4 0.25 . 1 . . . . 50 . . . 6102 1 357 . 1 1 72 72 SER H H 1 8.55 0.01 . 1 . . . . 50 . . . 6102 1 358 . 1 1 73 73 SER CA C 13 57.4 0.20 . 1 . . . . 51 . . . 6102 1 359 . 1 1 73 73 SER CB C 13 62.3 0.20 . 1 . . . . 51 . . . 6102 1 360 . 1 1 74 74 LYS N N 15 120.9 0.25 . 1 . . . . 52 . . . 6102 1 361 . 1 1 74 74 LYS H H 1 8.38 0.01 . 1 . . . . 52 . . . 6102 1 362 . 1 1 74 74 LYS CA C 13 54.8 0.20 . 1 . . . . 52 . . . 6102 1 363 . 1 1 74 74 LYS HA H 1 4.25 0.01 . 1 . . . . 52 . . . 6102 1 364 . 1 1 74 74 LYS CB C 13 32.9 0.20 . 1 . . . . 52 . . . 6102 1 365 . 1 1 74 74 LYS HB2 H 1 1.83 0.01 . 1 . . . . 52 . . . 6102 1 366 . 1 1 75 75 GLY N N 15 108.4 0.25 . 1 . . . . 53 . . . 6102 1 367 . 1 1 75 75 GLY H H 1 8.08 0.01 . 1 . . . . 53 . . . 6102 1 368 . 1 1 75 75 GLY HA2 H 1 3.94 0.01 . 1 . . . . 53 . . . 6102 1 369 . 1 1 76 76 ASN CA C 13 52.2 0.20 . 1 . . . . 54 . . . 6102 1 370 . 1 1 76 76 ASN CB C 13 37.1 0.20 . 1 . . . . 54 . . . 6102 1 371 . 1 1 76 76 ASN HB2 H 1 2.60 0.01 . 2 . . . . 54 . . . 6102 1 372 . 1 1 76 76 ASN HB3 H 1 2.53 0.01 . 2 . . . . 54 . . . 6102 1 373 . 1 1 77 77 TYR N N 15 117.1 0.25 . 1 . . . . 55 . . . 6102 1 374 . 1 1 77 77 TYR H H 1 7.78 0.01 . 1 . . . . 55 . . . 6102 1 375 . 1 1 77 77 TYR CA C 13 55.1 0.20 . 1 . . . . 55 . . . 6102 1 376 . 1 1 77 77 TYR HA H 1 5.03 0.01 . 1 . . . . 55 . . . 6102 1 377 . 1 1 77 77 TYR CB C 13 40.6 0.20 . 1 . . . . 55 . . . 6102 1 378 . 1 1 77 77 TYR HB2 H 1 3.16 0.01 . 2 . . . . 55 . . . 6102 1 379 . 1 1 77 77 TYR HB3 H 1 2.73 0.01 . 2 . . . . 55 . . . 6102 1 380 . 1 1 77 77 TYR HD1 H 1 6.87 0.01 . 1 . . . . 55 . . . 6102 1 381 . 1 1 78 78 HIS N N 15 119.9 0.25 . 1 . . . . 56 . . . 6102 1 382 . 1 1 78 78 HIS H H 1 9.07 0.01 . 1 . . . . 56 . . . 6102 1 383 . 1 1 78 78 HIS CA C 13 52.7 0.20 . 1 . . . . 56 . . . 6102 1 384 . 1 1 78 78 HIS HA H 1 5.21 0.01 . 1 . . . . 56 . . . 6102 1 385 . 1 1 78 78 HIS CB C 13 35.2 0.20 . 1 . . . . 56 . . . 6102 1 386 . 1 1 78 78 HIS HB2 H 1 2.74 0.01 . 1 . . . . 56 . . . 6102 1 387 . 1 1 78 78 HIS HD2 H 1 7.25 0.01 . 1 . . . . 56 . . . 6102 1 388 . 1 1 79 79 SER N N 15 115.1 0.25 . 1 . . . . 57 . . . 6102 1 389 . 1 1 79 79 SER H H 1 8.80 0.01 . 1 . . . . 57 . . . 6102 1 390 . 1 1 79 79 SER CA C 13 55.3 0.20 . 1 . . . . 57 . . . 6102 1 391 . 1 1 79 79 SER HA H 1 5.49 0.01 . 1 . . . . 57 . . . 6102 1 392 . 1 1 79 79 SER CB C 13 63.6 0.20 . 1 . . . . 57 . . . 6102 1 393 . 1 1 79 79 SER HB2 H 1 3.67 0.01 . 2 . . . . 57 . . . 6102 1 394 . 1 1 79 79 SER HB3 H 1 3.62 0.01 . 2 . . . . 57 . . . 6102 1 395 . 1 1 80 80 VAL N N 15 128.2 0.25 . 1 . . . . 58 . . . 6102 1 396 . 1 1 80 80 VAL H H 1 9.68 0.01 . 1 . . . . 58 . . . 6102 1 397 . 1 1 80 80 VAL CA C 13 59.5 0.20 . 1 . . . . 58 . . . 6102 1 398 . 1 1 80 80 VAL HA H 1 4.77 0.01 . 1 . . . . 58 . . . 6102 1 399 . 1 1 80 80 VAL CB C 13 34.2 0.20 . 1 . . . . 58 . . . 6102 1 400 . 1 1 80 80 VAL HB H 1 2.01 0.01 . 1 . . . . 58 . . . 6102 1 401 . 1 1 80 80 VAL HG11 H 1 0.89 0.01 . 1 . . . . 58 . . . 6102 1 402 . 1 1 80 80 VAL HG12 H 1 0.89 0.01 . 1 . . . . 58 . . . 6102 1 403 . 1 1 80 80 VAL HG13 H 1 0.89 0.01 . 1 . . . . 58 . . . 6102 1 404 . 1 1 80 80 VAL HG21 H 1 0.79 0.01 . 1 . . . . 58 . . . 6102 1 405 . 1 1 80 80 VAL HG22 H 1 0.79 0.01 . 1 . . . . 58 . . . 6102 1 406 . 1 1 80 80 VAL HG23 H 1 0.79 0.01 . 1 . . . . 58 . . . 6102 1 407 . 1 1 81 81 SER N N 15 123.3 0.25 . 1 . . . . 59 . . . 6102 1 408 . 1 1 81 81 SER H H 1 8.95 0.01 . 1 . . . . 59 . . . 6102 1 409 . 1 1 81 81 SER CA C 13 55.6 0.20 . 1 . . . . 59 . . . 6102 1 410 . 1 1 81 81 SER HA H 1 5.77 0.01 . 1 . . . . 59 . . . 6102 1 411 . 1 1 81 81 SER CB C 13 62.8 0.20 . 1 . . . . 59 . . . 6102 1 412 . 1 1 81 81 SER HB2 H 1 3.66 0.01 . 2 . . . . 59 . . . 6102 1 413 . 1 1 81 81 SER HB3 H 1 3.64 0.01 . 2 . . . . 59 . . . 6102 1 414 . 1 1 82 82 ILE N N 15 125.1 0.25 . 1 . . . . 60 . . . 6102 1 415 . 1 1 82 82 ILE H H 1 8.88 0.01 . 1 . . . . 60 . . . 6102 1 416 . 1 1 82 82 ILE HA H 1 4.77 0.01 . 1 . . . . 60 . . . 6102 1 417 . 1 1 82 82 ILE CB C 13 42.2 0.20 . 1 . . . . 60 . . . 6102 1 418 . 1 1 82 82 ILE HB H 1 1.37 0.01 . 1 . . . . 60 . . . 6102 1 419 . 1 1 82 82 ILE HG21 H 1 0.79 0.01 . 1 . . . . 60 . . . 6102 1 420 . 1 1 82 82 ILE HG22 H 1 0.79 0.01 . 1 . . . . 60 . . . 6102 1 421 . 1 1 82 82 ILE HG23 H 1 0.79 0.01 . 1 . . . . 60 . . . 6102 1 422 . 1 1 83 83 THR N N 15 126.4 0.25 . 1 . . . . 61 . . . 6102 1 423 . 1 1 83 83 THR H H 1 8.79 0.01 . 1 . . . . 61 . . . 6102 1 424 . 1 1 83 83 THR CA C 13 60.4 0.20 . 1 . . . . 61 . . . 6102 1 425 . 1 1 83 83 THR HA H 1 5.22 0.01 . 1 . . . . 61 . . . 6102 1 426 . 1 1 83 83 THR CB C 13 69.3 0.20 . 1 . . . . 61 . . . 6102 1 427 . 1 1 83 83 THR HG21 H 1 0.97 0.01 . 1 . . . . 61 . . . 6102 1 428 . 1 1 83 83 THR HG22 H 1 0.97 0.01 . 1 . . . . 61 . . . 6102 1 429 . 1 1 83 83 THR HG23 H 1 0.97 0.01 . 1 . . . . 61 . . . 6102 1 430 . 1 1 84 84 ILE N N 15 119.1 0.25 . 1 . . . . 62 . . . 6102 1 431 . 1 1 84 84 ILE H H 1 9.19 0.01 . 1 . . . . 62 . . . 6102 1 432 . 1 1 84 84 ILE CA C 13 57.5 0.20 . 1 . . . . 62 . . . 6102 1 433 . 1 1 84 84 ILE HA H 1 4.80 0.01 . 1 . . . . 62 . . . 6102 1 434 . 1 1 84 84 ILE CB C 13 40.9 0.20 . 1 . . . . 62 . . . 6102 1 435 . 1 1 84 84 ILE HB H 1 1.57 0.01 . 1 . . . . 62 . . . 6102 1 436 . 1 1 84 84 ILE HG21 H 1 0.84 0.01 . 1 . . . . 62 . . . 6102 1 437 . 1 1 84 84 ILE HG22 H 1 0.84 0.01 . 1 . . . . 62 . . . 6102 1 438 . 1 1 84 84 ILE HG23 H 1 0.84 0.01 . 1 . . . . 62 . . . 6102 1 439 . 1 1 84 84 ILE HD11 H 1 0.79 0.01 . 1 . . . . 62 . . . 6102 1 440 . 1 1 84 84 ILE HD12 H 1 0.79 0.01 . 1 . . . . 62 . . . 6102 1 441 . 1 1 84 84 ILE HD13 H 1 0.79 0.01 . 1 . . . . 62 . . . 6102 1 442 . 1 1 85 85 ASN N N 15 121.3 0.25 . 1 . . . . 63 . . . 6102 1 443 . 1 1 85 85 ASN H H 1 8.69 0.01 . 1 . . . . 63 . . . 6102 1 444 . 1 1 85 85 ASN CA C 13 51.7 0.20 . 1 . . . . 63 . . . 6102 1 445 . 1 1 85 85 ASN HA H 1 4.84 0.01 . 1 . . . . 63 . . . 6102 1 446 . 1 1 85 85 ASN CB C 13 37.7 0.20 . 1 . . . . 63 . . . 6102 1 447 . 1 1 85 85 ASN HB2 H 1 2.77 0.01 . 2 . . . . 63 . . . 6102 1 448 . 1 1 85 85 ASN HB3 H 1 2.55 0.01 . 2 . . . . 63 . . . 6102 1 449 . 1 1 85 85 ASN HD21 H 1 7.53 0.01 . 2 . . . . 63 . . . 6102 1 450 . 1 1 85 85 ASN HD22 H 1 6.66 0.01 . 2 . . . . 63 . . . 6102 1 451 . 1 1 86 86 ALA N N 15 128.3 0.25 . 1 . . . . 64 . . . 6102 1 452 . 1 1 86 86 ALA H H 1 8.83 0.01 . 1 . . . . 64 . . . 6102 1 453 . 1 1 86 86 ALA CA C 13 50.6 0.20 . 1 . . . . 64 . . . 6102 1 454 . 1 1 86 86 ALA HA H 1 4.79 0.01 . 1 . . . . 64 . . . 6102 1 455 . 1 1 86 86 ALA HB1 H 1 1.45 0.01 . 1 . . . . 64 . . . 6102 1 456 . 1 1 86 86 ALA HB2 H 1 1.45 0.01 . 1 . . . . 64 . . . 6102 1 457 . 1 1 86 86 ALA HB3 H 1 1.45 0.01 . 1 . . . . 64 . . . 6102 1 458 . 1 1 86 86 ALA CB C 13 20.2 0.20 . 1 . . . . 64 . . . 6102 1 459 . 1 1 87 87 THR N N 15 110.7 0.25 . 1 . . . . 65 . . . 6102 1 460 . 1 1 87 87 THR H H 1 9.69 0.01 . 1 . . . . 65 . . . 6102 1 461 . 1 1 87 87 THR CA C 13 61.1 0.20 . 1 . . . . 65 . . . 6102 1 462 . 1 1 87 87 THR HA H 1 4.41 0.01 . 1 . . . . 65 . . . 6102 1 463 . 1 1 87 87 THR CB C 13 69.1 0.20 . 1 . . . . 65 . . . 6102 1 464 . 1 1 87 87 THR HB H 1 4.38 0.01 . 1 . . . . 65 . . . 6102 1 465 . 1 1 87 87 THR HG21 H 1 1.26 0.01 . 1 . . . . 65 . . . 6102 1 466 . 1 1 87 87 THR HG22 H 1 1.26 0.01 . 1 . . . . 65 . . . 6102 1 467 . 1 1 87 87 THR HG23 H 1 1.26 0.01 . 1 . . . . 65 . . . 6102 1 468 . 1 1 88 88 HIS N N 15 117.2 0.25 . 1 . . . . 66 . . . 6102 1 469 . 1 1 88 88 HIS H H 1 7.10 0.01 . 1 . . . . 66 . . . 6102 1 470 . 1 1 88 88 HIS CA C 13 54.1 0.20 . 1 . . . . 66 . . . 6102 1 471 . 1 1 88 88 HIS HA H 1 3.37 0.01 . 1 . . . . 66 . . . 6102 1 472 . 1 1 88 88 HIS CB C 13 30.2 0.20 . 1 . . . . 66 . . . 6102 1 473 . 1 1 88 88 HIS HB2 H 1 2.92 0.01 . 1 . . . . 66 . . . 6102 1 474 . 1 1 89 89 ILE N N 15 122.8 0.25 . 1 . . . . 67 . . . 6102 1 475 . 1 1 89 89 ILE H H 1 8.36 0.01 . 1 . . . . 67 . . . 6102 1 476 . 1 1 89 89 ILE CA C 13 61.3 0.20 . 1 . . . . 67 . . . 6102 1 477 . 1 1 89 89 ILE HA H 1 3.73 0.01 . 1 . . . . 67 . . . 6102 1 478 . 1 1 89 89 ILE CB C 13 37.9 0.20 . 1 . . . . 67 . . . 6102 1 479 . 1 1 89 89 ILE HB H 1 1.82 0.01 . 1 . . . . 67 . . . 6102 1 480 . 1 1 89 89 ILE HG21 H 1 0.90 0.01 . 1 . . . . 67 . . . 6102 1 481 . 1 1 89 89 ILE HG22 H 1 0.90 0.01 . 1 . . . . 67 . . . 6102 1 482 . 1 1 89 89 ILE HG23 H 1 0.90 0.01 . 1 . . . . 67 . . . 6102 1 483 . 1 1 90 90 GLU N N 15 122.1 0.25 . 1 . . . . 68 . . . 6102 1 484 . 1 1 90 90 GLU H H 1 9.35 0.01 . 1 . . . . 68 . . . 6102 1 485 . 1 1 90 90 GLU CA C 13 59.3 0.20 . 1 . . . . 68 . . . 6102 1 486 . 1 1 90 90 GLU HA H 1 4.07 0.01 . 1 . . . . 68 . . . 6102 1 487 . 1 1 90 90 GLU CB C 13 27.7 0.20 . 1 . . . . 68 . . . 6102 1 488 . 1 1 90 90 GLU HB2 H 1 2.01 0.01 . 2 . . . . 68 . . . 6102 1 489 . 1 1 90 90 GLU HB3 H 1 1.97 0.01 . 2 . . . . 68 . . . 6102 1 490 . 1 1 90 90 GLU HG2 H 1 2.49 0.01 . 2 . . . . 68 . . . 6102 1 491 . 1 1 90 90 GLU HG3 H 1 2.26 0.01 . 2 . . . . 68 . . . 6102 1 492 . 1 1 91 91 GLN N N 15 120.8 0.25 . 1 . . . . 69 . . . 6102 1 493 . 1 1 91 91 GLN H H 1 6.38 0.01 . 1 . . . . 69 . . . 6102 1 494 . 1 1 91 91 GLN CA C 13 57.1 0.20 . 1 . . . . 69 . . . 6102 1 495 . 1 1 91 91 GLN HA H 1 3.82 0.01 . 1 . . . . 69 . . . 6102 1 496 . 1 1 91 91 GLN CB C 13 28.6 0.20 . 1 . . . . 69 . . . 6102 1 497 . 1 1 91 91 GLN HB2 H 1 2.23 0.01 . 1 . . . . 69 . . . 6102 1 498 . 1 1 91 91 GLN HG2 H 1 2.14 0.01 . 1 . . . . 69 . . . 6102 1 499 . 1 1 92 92 VAL N N 15 118.0 0.25 . 1 . . . . 70 . . . 6102 1 500 . 1 1 92 92 VAL H H 1 6.73 0.01 . 1 . . . . 70 . . . 6102 1 501 . 1 1 92 92 VAL CA C 13 62.7 0.20 . 1 . . . . 70 . . . 6102 1 502 . 1 1 92 92 VAL HA H 1 3.65 0.01 . 1 . . . . 70 . . . 6102 1 503 . 1 1 92 92 VAL CB C 13 31.3 0.20 . 1 . . . . 70 . . . 6102 1 504 . 1 1 92 92 VAL HB H 1 1.96 0.01 . 1 . . . . 70 . . . 6102 1 505 . 1 1 92 92 VAL HG11 H 1 0.64 0.01 . 1 . . . . 70 . . . 6102 1 506 . 1 1 92 92 VAL HG12 H 1 0.64 0.01 . 1 . . . . 70 . . . 6102 1 507 . 1 1 92 92 VAL HG13 H 1 0.64 0.01 . 1 . . . . 70 . . . 6102 1 508 . 1 1 92 92 VAL HG21 H 1 0.20 0.01 . 1 . . . . 70 . . . 6102 1 509 . 1 1 92 92 VAL HG22 H 1 0.20 0.01 . 1 . . . . 70 . . . 6102 1 510 . 1 1 92 92 VAL HG23 H 1 0.20 0.01 . 1 . . . . 70 . . . 6102 1 511 . 1 1 93 93 GLU N N 15 119.3 0.25 . 1 . . . . 71 . . . 6102 1 512 . 1 1 93 93 GLU H H 1 8.32 0.01 . 1 . . . . 71 . . . 6102 1 513 . 1 1 93 93 GLU CA C 13 58.8 0.20 . 1 . . . . 71 . . . 6102 1 514 . 1 1 93 93 GLU HA H 1 4.07 0.01 . 1 . . . . 71 . . . 6102 1 515 . 1 1 93 93 GLU CB C 13 29.9 0.20 . 1 . . . . 71 . . . 6102 1 516 . 1 1 93 93 GLU HB2 H 1 2.03 0.01 . 1 . . . . 71 . . . 6102 1 517 . 1 1 94 94 THR N N 15 118.4 0.25 . 1 . . . . 72 . . . 6102 1 518 . 1 1 94 94 THR H H 1 8.53 0.01 . 1 . . . . 72 . . . 6102 1 519 . 1 1 94 94 THR CA C 13 65.5 0.20 . 1 . . . . 72 . . . 6102 1 520 . 1 1 94 94 THR HA H 1 3.97 0.01 . 1 . . . . 72 . . . 6102 1 521 . 1 1 94 94 THR CB C 13 67.0 0.20 . 1 . . . . 72 . . . 6102 1 522 . 1 1 94 94 THR HG21 H 1 0.69 0.01 . 1 . . . . 72 . . . 6102 1 523 . 1 1 94 94 THR HG22 H 1 0.69 0.01 . 1 . . . . 72 . . . 6102 1 524 . 1 1 94 94 THR HG23 H 1 0.69 0.01 . 1 . . . . 72 . . . 6102 1 525 . 1 1 95 95 LEU N N 15 121.1 0.25 . 1 . . . . 73 . . . 6102 1 526 . 1 1 95 95 LEU H H 1 7.72 0.01 . 1 . . . . 73 . . . 6102 1 527 . 1 1 95 95 LEU CA C 13 57.3 0.20 . 1 . . . . 73 . . . 6102 1 528 . 1 1 95 95 LEU HA H 1 3.50 0.01 . 1 . . . . 73 . . . 6102 1 529 . 1 1 95 95 LEU CB C 13 39.2 0.20 . 1 . . . . 73 . . . 6102 1 530 . 1 1 95 95 LEU HB2 H 1 2.10 0.01 . 2 . . . . 73 . . . 6102 1 531 . 1 1 95 95 LEU HB3 H 1 1.92 0.01 . 2 . . . . 73 . . . 6102 1 532 . 1 1 95 95 LEU HG H 1 1.13 0.01 . 1 . . . . 73 . . . 6102 1 533 . 1 1 95 95 LEU HD11 H 1 0.80 0.01 . 1 . . . . 73 . . . 6102 1 534 . 1 1 95 95 LEU HD12 H 1 0.80 0.01 . 1 . . . . 73 . . . 6102 1 535 . 1 1 95 95 LEU HD13 H 1 0.80 0.01 . 1 . . . . 73 . . . 6102 1 536 . 1 1 95 95 LEU HD21 H 1 0.75 0.01 . 1 . . . . 73 . . . 6102 1 537 . 1 1 95 95 LEU HD22 H 1 0.75 0.01 . 1 . . . . 73 . . . 6102 1 538 . 1 1 95 95 LEU HD23 H 1 0.75 0.01 . 1 . . . . 73 . . . 6102 1 539 . 1 1 96 96 TYR N N 15 117.3 0.25 . 1 . . . . 74 . . . 6102 1 540 . 1 1 96 96 TYR H H 1 7.59 0.01 . 1 . . . . 74 . . . 6102 1 541 . 1 1 96 96 TYR CA C 13 63.2 0.20 . 1 . . . . 74 . . . 6102 1 542 . 1 1 96 96 TYR HA H 1 3.96 0.01 . 1 . . . . 74 . . . 6102 1 543 . 1 1 96 96 TYR CB C 13 38.1 0.20 . 1 . . . . 74 . . . 6102 1 544 . 1 1 96 96 TYR HB2 H 1 3.19 0.01 . 2 . . . . 74 . . . 6102 1 545 . 1 1 96 96 TYR HB3 H 1 3.11 0.01 . 2 . . . . 74 . . . 6102 1 546 . 1 1 96 96 TYR HE1 H 1 6.62 0.01 . 1 . . . . 74 . . . 6102 1 547 . 1 1 96 96 TYR HD1 H 1 7.14 0.01 . 1 . . . . 74 . . . 6102 1 548 . 1 1 97 97 GLU N N 15 118.4 0.25 . 1 . . . . 75 . . . 6102 1 549 . 1 1 97 97 GLU H H 1 7.47 0.01 . 1 . . . . 75 . . . 6102 1 550 . 1 1 97 97 GLU CA C 13 57.8 0.20 . 1 . . . . 75 . . . 6102 1 551 . 1 1 97 97 GLU HA H 1 3.95 0.01 . 1 . . . . 75 . . . 6102 1 552 . 1 1 97 97 GLU CB C 13 29.5 0.20 . 1 . . . . 75 . . . 6102 1 553 . 1 1 97 97 GLU HB2 H 1 2.18 0.01 . 2 . . . . 75 . . . 6102 1 554 . 1 1 97 97 GLU HB3 H 1 2.12 0.01 . 2 . . . . 75 . . . 6102 1 555 . 1 1 97 97 GLU HG2 H 1 2.32 0.01 . 1 . . . . 75 . . . 6102 1 556 . 1 1 98 98 GLU N N 15 117.6 0.25 . 1 . . . . 76 . . . 6102 1 557 . 1 1 98 98 GLU H H 1 8.78 0.01 . 1 . . . . 76 . . . 6102 1 558 . 1 1 98 98 GLU CA C 13 58.2 0.20 . 1 . . . . 76 . . . 6102 1 559 . 1 1 98 98 GLU HA H 1 3.85 0.01 . 1 . . . . 76 . . . 6102 1 560 . 1 1 98 98 GLU CB C 13 29.6 0.20 . 1 . . . . 76 . . . 6102 1 561 . 1 1 98 98 GLU HB2 H 1 1.56 0.01 . 1 . . . . 76 . . . 6102 1 562 . 1 1 98 98 GLU HG2 H 1 2.19 0.01 . 1 . . . . 76 . . . 6102 1 563 . 1 1 99 99 LEU N N 15 120.6 0.25 . 1 . . . . 77 . . . 6102 1 564 . 1 1 99 99 LEU H H 1 8.69 0.01 . 1 . . . . 77 . . . 6102 1 565 . 1 1 99 99 LEU CA C 13 56.6 0.20 . 1 . . . . 77 . . . 6102 1 566 . 1 1 99 99 LEU HA H 1 4.00 0.01 . 1 . . . . 77 . . . 6102 1 567 . 1 1 99 99 LEU CB C 13 42.1 0.20 . 1 . . . . 77 . . . 6102 1 568 . 1 1 99 99 LEU HB2 H 1 1.89 0.01 . 2 . . . . 77 . . . 6102 1 569 . 1 1 99 99 LEU HB3 H 1 0.84 0.01 . 2 . . . . 77 . . . 6102 1 570 . 1 1 99 99 LEU HG H 1 1.26 0.01 . 1 . . . . 77 . . . 6102 1 571 . 1 1 99 99 LEU HD11 H 1 0.74 0.01 . 1 . . . . 77 . . . 6102 1 572 . 1 1 99 99 LEU HD12 H 1 0.74 0.01 . 1 . . . . 77 . . . 6102 1 573 . 1 1 99 99 LEU HD13 H 1 0.74 0.01 . 1 . . . . 77 . . . 6102 1 574 . 1 1 99 99 LEU HD21 H 1 -0.07 0.01 . 1 . . . . 77 . . . 6102 1 575 . 1 1 99 99 LEU HD22 H 1 -0.07 0.01 . 1 . . . . 77 . . . 6102 1 576 . 1 1 99 99 LEU HD23 H 1 -0.07 0.01 . 1 . . . . 77 . . . 6102 1 577 . 1 1 100 100 GLY N N 15 100.5 0.25 . 1 . . . . 78 . . . 6102 1 578 . 1 1 100 100 GLY H H 1 7.15 0.01 . 1 . . . . 78 . . . 6102 1 579 . 1 1 100 100 GLY CA C 13 45.2 0.20 . 1 . . . . 78 . . . 6102 1 580 . 1 1 100 100 GLY HA2 H 1 3.77 0.01 . 2 . . . . 78 . . . 6102 1 581 . 1 1 100 100 GLY HA3 H 1 3.74 0.01 . 2 . . . . 78 . . . 6102 1 582 . 1 1 101 101 LYS N N 15 117.2 0.25 . 1 . . . . 79 . . . 6102 1 583 . 1 1 101 101 LYS H H 1 7.03 0.01 . 1 . . . . 79 . . . 6102 1 584 . 1 1 101 101 LYS CA C 13 55.5 0.20 . 1 . . . . 79 . . . 6102 1 585 . 1 1 101 101 LYS HA H 1 4.15 0.01 . 1 . . . . 79 . . . 6102 1 586 . 1 1 101 101 LYS CB C 13 33.2 0.20 . 1 . . . . 79 . . . 6102 1 587 . 1 1 101 101 LYS HB2 H 1 1.75 0.01 . 1 . . . . 79 . . . 6102 1 588 . 1 1 101 101 LYS HG2 H 1 1.64 0.01 . 2 . . . . 79 . . . 6102 1 589 . 1 1 101 101 LYS HG3 H 1 1.60 0.01 . 2 . . . . 79 . . . 6102 1 590 . 1 1 102 102 ILE N N 15 122.9 0.25 . 1 . . . . 80 . . . 6102 1 591 . 1 1 102 102 ILE H H 1 7.04 0.01 . 1 . . . . 80 . . . 6102 1 592 . 1 1 102 102 ILE CA C 13 61.6 0.20 . 1 . . . . 80 . . . 6102 1 593 . 1 1 102 102 ILE HA H 1 3.83 0.01 . 1 . . . . 80 . . . 6102 1 594 . 1 1 102 102 ILE CB C 13 36.6 0.20 . 1 . . . . 80 . . . 6102 1 595 . 1 1 102 102 ILE HB H 1 1.82 0.01 . 1 . . . . 80 . . . 6102 1 596 . 1 1 102 102 ILE HG21 H 1 0.88 0.01 . 1 . . . . 80 . . . 6102 1 597 . 1 1 102 102 ILE HG22 H 1 0.88 0.01 . 1 . . . . 80 . . . 6102 1 598 . 1 1 102 102 ILE HG23 H 1 0.88 0.01 . 1 . . . . 80 . . . 6102 1 599 . 1 1 102 102 ILE HD11 H 1 1.01 0.01 . 1 . . . . 80 . . . 6102 1 600 . 1 1 102 102 ILE HD12 H 1 1.01 0.01 . 1 . . . . 80 . . . 6102 1 601 . 1 1 102 102 ILE HD13 H 1 1.01 0.01 . 1 . . . . 80 . . . 6102 1 602 . 1 1 103 103 ASP N N 15 130.9 0.25 . 1 . . . . 81 . . . 6102 1 603 . 1 1 103 103 ASP H H 1 8.88 0.01 . 1 . . . . 81 . . . 6102 1 604 . 1 1 103 103 ASP CA C 13 57.0 0.20 . 1 . . . . 81 . . . 6102 1 605 . 1 1 103 103 ASP HA H 1 4.21 0.01 . 1 . . . . 81 . . . 6102 1 606 . 1 1 103 103 ASP CB C 13 39.7 0.20 . 1 . . . . 81 . . . 6102 1 607 . 1 1 103 103 ASP HB2 H 1 2.73 0.01 . 1 . . . . 81 . . . 6102 1 608 . 1 1 104 104 ILE N N 15 107.9 0.25 . 1 . . . . 82 . . . 6102 1 609 . 1 1 104 104 ILE H H 1 7.26 0.01 . 1 . . . . 82 . . . 6102 1 610 . 1 1 104 104 ILE CA C 13 60.6 0.20 . 1 . . . . 82 . . . 6102 1 611 . 1 1 104 104 ILE HA H 1 4.42 0.01 . 1 . . . . 82 . . . 6102 1 612 . 1 1 104 104 ILE CB C 13 37.3 0.20 . 1 . . . . 82 . . . 6102 1 613 . 1 1 104 104 ILE HB H 1 2.14 0.01 . 1 . . . . 82 . . . 6102 1 614 . 1 1 104 104 ILE HG21 H 1 0.90 0.01 . 1 . . . . 82 . . . 6102 1 615 . 1 1 104 104 ILE HG22 H 1 0.90 0.01 . 1 . . . . 82 . . . 6102 1 616 . 1 1 104 104 ILE HG23 H 1 0.90 0.01 . 1 . . . . 82 . . . 6102 1 617 . 1 1 104 104 ILE HD11 H 1 0.77 0.01 . 1 . . . . 82 . . . 6102 1 618 . 1 1 104 104 ILE HD12 H 1 0.77 0.01 . 1 . . . . 82 . . . 6102 1 619 . 1 1 104 104 ILE HD13 H 1 0.77 0.01 . 1 . . . . 82 . . . 6102 1 620 . 1 1 105 105 VAL N N 15 123.8 0.25 . 1 . . . . 83 . . . 6102 1 621 . 1 1 105 105 VAL H H 1 7.61 0.01 . 1 . . . . 83 . . . 6102 1 622 . 1 1 105 105 VAL CA C 13 62.3 0.20 . 1 . . . . 83 . . . 6102 1 623 . 1 1 105 105 VAL HA H 1 3.95 0.01 . 1 . . . . 83 . . . 6102 1 624 . 1 1 105 105 VAL CB C 13 32.9 0.20 . 1 . . . . 83 . . . 6102 1 625 . 1 1 105 105 VAL HB H 1 2.23 0.01 . 1 . . . . 83 . . . 6102 1 626 . 1 1 105 105 VAL HG11 H 1 0.80 0.01 . 1 . . . . 83 . . . 6102 1 627 . 1 1 105 105 VAL HG12 H 1 0.80 0.01 . 1 . . . . 83 . . . 6102 1 628 . 1 1 105 105 VAL HG13 H 1 0.80 0.01 . 1 . . . . 83 . . . 6102 1 629 . 1 1 105 105 VAL HG21 H 1 0.75 0.01 . 1 . . . . 83 . . . 6102 1 630 . 1 1 105 105 VAL HG22 H 1 0.75 0.01 . 1 . . . . 83 . . . 6102 1 631 . 1 1 105 105 VAL HG23 H 1 0.75 0.01 . 1 . . . . 83 . . . 6102 1 632 . 1 1 106 106 ARG N N 15 126.9 0.25 . 1 . . . . 84 . . . 6102 1 633 . 1 1 106 106 ARG H H 1 9.35 0.01 . 1 . . . . 84 . . . 6102 1 634 . 1 1 106 106 ARG CA C 13 54.7 0.20 . 1 . . . . 84 . . . 6102 1 635 . 1 1 106 106 ARG HA H 1 4.52 0.01 . 1 . . . . 84 . . . 6102 1 636 . 1 1 106 106 ARG CB C 13 31.8 0.20 . 1 . . . . 84 . . . 6102 1 637 . 1 1 106 106 ARG HB2 H 1 1.41 0.01 . 1 . . . . 84 . . . 6102 1 638 . 1 1 106 106 ARG HG2 H 1 1.93 0.01 . 1 . . . . 84 . . . 6102 1 639 . 1 1 107 107 MET N N 15 116.0 0.25 . 1 . . . . 85 . . . 6102 1 640 . 1 1 107 107 MET H H 1 7.84 0.01 . 1 . . . . 85 . . . 6102 1 641 . 1 1 107 107 MET CA C 13 54.6 0.20 . 1 . . . . 85 . . . 6102 1 642 . 1 1 107 107 MET HA H 1 4.68 0.01 . 1 . . . . 85 . . . 6102 1 643 . 1 1 107 107 MET CB C 13 35.7 0.20 . 1 . . . . 85 . . . 6102 1 644 . 1 1 107 107 MET HB2 H 1 1.98 0.01 . 1 . . . . 85 . . . 6102 1 645 . 1 1 107 107 MET HG2 H 1 2.22 0.01 . 1 . . . . 85 . . . 6102 1 646 . 1 1 107 107 MET HE1 H 1 1.96 0.01 . 1 . . . . 85 . . . 6102 1 647 . 1 1 107 107 MET HE2 H 1 1.96 0.01 . 1 . . . . 85 . . . 6102 1 648 . 1 1 107 107 MET HE3 H 1 1.96 0.01 . 1 . . . . 85 . . . 6102 1 649 . 1 1 108 108 VAL N N 15 124.2 0.25 . 1 . . . . 86 . . . 6102 1 650 . 1 1 108 108 VAL H H 1 8.54 0.01 . 1 . . . . 86 . . . 6102 1 651 . 1 1 108 108 VAL CA C 13 60.8 0.20 . 1 . . . . 86 . . . 6102 1 652 . 1 1 108 108 VAL HA H 1 4.75 0.01 . 1 . . . . 86 . . . 6102 1 653 . 1 1 108 108 VAL CB C 13 33.6 0.20 . 1 . . . . 86 . . . 6102 1 654 . 1 1 108 108 VAL HB H 1 1.18 0.01 . 1 . . . . 86 . . . 6102 1 655 . 1 1 108 108 VAL HG11 H 1 0.88 0.01 . 1 . . . . 86 . . . 6102 1 656 . 1 1 108 108 VAL HG12 H 1 0.88 0.01 . 1 . . . . 86 . . . 6102 1 657 . 1 1 108 108 VAL HG13 H 1 0.88 0.01 . 1 . . . . 86 . . . 6102 1 658 . 1 1 109 109 LEU N N 15 134.7 0.25 . 1 . . . . 87 . . . 6102 1 659 . 1 1 109 109 LEU H H 1 9.32 0.01 . 1 . . . . 87 . . . 6102 1 660 . 1 1 109 109 LEU CA C 13 55.1 0.20 . 1 . . . . 87 . . . 6102 1 661 . 1 1 109 109 LEU HA H 1 4.65 0.01 . 1 . . . . 87 . . . 6102 1 662 . 1 1 109 109 LEU HB2 H 1 1.69 0.01 . 2 . . . . 87 . . . 6102 1 663 . 1 1 109 109 LEU HB3 H 1 1.52 0.01 . 2 . . . . 87 . . . 6102 1 664 . 1 1 109 109 LEU HD11 H 1 1.17 0.01 . 1 . . . . 87 . . . 6102 1 665 . 1 1 109 109 LEU HD12 H 1 1.17 0.01 . 1 . . . . 87 . . . 6102 1 666 . 1 1 109 109 LEU HD13 H 1 1.17 0.01 . 1 . . . . 87 . . . 6102 1 667 . 1 1 109 109 LEU HD21 H 1 0.86 0.01 . 1 . . . . 87 . . . 6102 1 668 . 1 1 109 109 LEU HD22 H 1 0.86 0.01 . 1 . . . . 87 . . . 6102 1 669 . 1 1 109 109 LEU HD23 H 1 0.86 0.01 . 1 . . . . 87 . . . 6102 1 stop_ save_