data_6955 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6955 _Entry.Title ; Solution Structure of the gene product of E. coli gene ydhA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-27 _Entry.Accession_date 2006-01-27 _Entry.Last_release_date 2006-11-06 _Entry.Original_release_date 2006-11-06 _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. Shaw . S. . 6955 2 M. Revington . J. . 6955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 6955 '15N chemical shifts' 79 6955 '1H chemical shifts' 525 6955 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 . . 2006-11-06 2006-01-27 original author . 6955 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6955 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16937244 _Citation.Full_citation . _Citation.Title 'The solution structure of the protein ydhA from Escherichia coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 35 _Citation.Journal_issue 4 _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 295 _Citation.Page_last 300 _Citation.Year 2006 _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 M. Revington . J. . 6955 1 2 A. Semesi . . . 6955 1 3 A. Yee . . . 6955 1 4 C. Arrowsmith . H. . 6955 1 5 G. Shaw . S. . 6955 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '8 strand beta-barrel' 6955 1 OCSP 6955 1 'Ontario Centre for Structural Proteomics' 6955 1 'Structural Genomics' 6955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ydhA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ydhA _Assembly.Entry_ID 6955 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein ydhA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6955 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 'Hypothetical protein ydhA' 1 $ydhA . . . native . . . . . 6955 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . 6955 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2F09 . . . . . . 6955 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical protein ydhA' system 6955 1 ydhA abbreviation 6955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ydhA _Entity.Sf_category entity _Entity.Sf_framecode ydhA _Entity.Entry_ID 6955 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical protein ydhA' _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 ; MGSSHHHHHHSSGLVPRGSH MQTDTLEYQCDEKPLTVKLN NPRQEVSFVYDNQLLHLKQG ISASGARYTDGIYVFWSKGD EATVYKRDRIVLNNCQLQNP QR ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT P28224 . 'Uncharacterized protein ydhA' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1 . . REF YP_001724963 . 'hypothetical protein EcolC_1990 [Escherichia coli ATCC 8739]' . . . . . 81.37 107 98.80 98.80 5.25e-43 . . . . 6955 1 . . REF YP_001462930 . 'lysozyme inhibitor [Escherichia coli E24377A]' . . . . . 81.37 107 98.80 98.80 8.81e-43 . . . . 6955 1 . . REF YP_001458419 . 'lysozyme inhibitor [Escherichia coli HS]' . . . . . 81.37 107 98.80 98.80 5.25e-43 . . . . 6955 1 . . REF NP_416156 . 'predicted lipoprotein [Escherichia coli str. K-12 substr. MG1655]' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1 . . REF AP_002261 . 'predicted lipoprotein [Escherichia coli W3110]' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1 . . GenBank ABV06036 . 'putative lipoprotein [Escherichia coli HS]' . . . . . 81.37 107 98.80 98.80 5.25e-43 . . . . 6955 1 . . GenBank ABB66112 . 'conserved hypothetical protein [Shigella boydii Sb227]' . . . . . 80.39 82 100.00 100.00 1.32e-42 . . . . 6955 1 . . GenBank AAZ88217 . 'conserved hypothetical protein [Shigella sonnei Ss046]' . . . . . 80.39 82 98.78 98.78 6.98e-42 . . . . 6955 1 . . GenBank AAC74711 . 'predicted lipoprotein [Escherichia coli str. K-12 substr. MG1655]' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1 . . GenBank AAA24708 . 'ORF; putative' . . . . . 80.39 82 100.00 100.00 1.32e-42 . . . . 6955 1 . . DBJ BAA15400 . 'predicted lipoprotein [Escherichia coli W3110]' . . . . . 81.37 109 98.80 98.80 4.19e-43 . . . . 6955 1 . . PDB 2F09 . 'Solution Structure Of The Gene Product Of E. Coli Gene Ydha' . . . . . 99.02 102 100.00 100.00 2.35e-54 . . . . 6955 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical protein ydhA' common 6955 1 ydhA abbreviation 6955 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 -19 MET . 6955 1 2 -18 GLY . 6955 1 3 -17 SER . 6955 1 4 -16 SER . 6955 1 5 -15 HIS . 6955 1 6 -14 HIS . 6955 1 7 -13 HIS . 6955 1 8 -12 HIS . 6955 1 9 -11 HIS . 6955 1 10 -10 HIS . 6955 1 11 -9 SER . 6955 1 12 -8 SER . 6955 1 13 -7 GLY . 6955 1 14 -6 LEU . 6955 1 15 -5 VAL . 6955 1 16 -4 PRO . 6955 1 17 -3 ARG . 6955 1 18 -2 GLY . 6955 1 19 -1 SER . 6955 1 20 0 HIS . 6955 1 21 1 MET . 6955 1 22 2 GLN . 6955 1 23 3 THR . 6955 1 24 4 ASP . 6955 1 25 5 THR . 6955 1 26 6 LEU . 6955 1 27 7 GLU . 6955 1 28 8 TYR . 6955 1 29 9 GLN . 6955 1 30 10 CYS . 6955 1 31 11 ASP . 6955 1 32 12 GLU . 6955 1 33 13 LYS . 6955 1 34 14 PRO . 6955 1 35 15 LEU . 6955 1 36 16 THR . 6955 1 37 17 VAL . 6955 1 38 18 LYS . 6955 1 39 19 LEU . 6955 1 40 20 ASN . 6955 1 41 21 ASN . 6955 1 42 22 PRO . 6955 1 43 23 ARG . 6955 1 44 24 GLN . 6955 1 45 25 GLU . 6955 1 46 26 VAL . 6955 1 47 27 SER . 6955 1 48 28 PHE . 6955 1 49 29 VAL . 6955 1 50 30 TYR . 6955 1 51 31 ASP . 6955 1 52 32 ASN . 6955 1 53 33 GLN . 6955 1 54 34 LEU . 6955 1 55 35 LEU . 6955 1 56 36 HIS . 6955 1 57 37 LEU . 6955 1 58 38 LYS . 6955 1 59 39 GLN . 6955 1 60 40 GLY . 6955 1 61 41 ILE . 6955 1 62 42 SER . 6955 1 63 43 ALA . 6955 1 64 44 SER . 6955 1 65 45 GLY . 6955 1 66 46 ALA . 6955 1 67 47 ARG . 6955 1 68 48 TYR . 6955 1 69 49 THR . 6955 1 70 50 ASP . 6955 1 71 51 GLY . 6955 1 72 52 ILE . 6955 1 73 53 TYR . 6955 1 74 54 VAL . 6955 1 75 55 PHE . 6955 1 76 56 TRP . 6955 1 77 57 SER . 6955 1 78 58 LYS . 6955 1 79 59 GLY . 6955 1 80 60 ASP . 6955 1 81 61 GLU . 6955 1 82 62 ALA . 6955 1 83 63 THR . 6955 1 84 64 VAL . 6955 1 85 65 TYR . 6955 1 86 66 LYS . 6955 1 87 67 ARG . 6955 1 88 68 ASP . 6955 1 89 69 ARG . 6955 1 90 70 ILE . 6955 1 91 71 VAL . 6955 1 92 72 LEU . 6955 1 93 73 ASN . 6955 1 94 74 ASN . 6955 1 95 75 CYS . 6955 1 96 76 GLN . 6955 1 97 77 LEU . 6955 1 98 78 GLN . 6955 1 99 79 ASN . 6955 1 100 80 PRO . 6955 1 101 81 GLN . 6955 1 102 82 ARG . 6955 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 6955 1 . GLY 2 2 6955 1 . SER 3 3 6955 1 . SER 4 4 6955 1 . HIS 5 5 6955 1 . HIS 6 6 6955 1 . HIS 7 7 6955 1 . HIS 8 8 6955 1 . HIS 9 9 6955 1 . HIS 10 10 6955 1 . SER 11 11 6955 1 . SER 12 12 6955 1 . GLY 13 13 6955 1 . LEU 14 14 6955 1 . VAL 15 15 6955 1 . PRO 16 16 6955 1 . ARG 17 17 6955 1 . GLY 18 18 6955 1 . SER 19 19 6955 1 . HIS 20 20 6955 1 . MET 21 21 6955 1 . GLN 22 22 6955 1 . THR 23 23 6955 1 . ASP 24 24 6955 1 . THR 25 25 6955 1 . LEU 26 26 6955 1 . GLU 27 27 6955 1 . TYR 28 28 6955 1 . GLN 29 29 6955 1 . CYS 30 30 6955 1 . ASP 31 31 6955 1 . GLU 32 32 6955 1 . LYS 33 33 6955 1 . PRO 34 34 6955 1 . LEU 35 35 6955 1 . THR 36 36 6955 1 . VAL 37 37 6955 1 . LYS 38 38 6955 1 . LEU 39 39 6955 1 . ASN 40 40 6955 1 . ASN 41 41 6955 1 . PRO 42 42 6955 1 . ARG 43 43 6955 1 . GLN 44 44 6955 1 . GLU 45 45 6955 1 . VAL 46 46 6955 1 . SER 47 47 6955 1 . PHE 48 48 6955 1 . VAL 49 49 6955 1 . TYR 50 50 6955 1 . ASP 51 51 6955 1 . ASN 52 52 6955 1 . GLN 53 53 6955 1 . LEU 54 54 6955 1 . LEU 55 55 6955 1 . HIS 56 56 6955 1 . LEU 57 57 6955 1 . LYS 58 58 6955 1 . GLN 59 59 6955 1 . GLY 60 60 6955 1 . ILE 61 61 6955 1 . SER 62 62 6955 1 . ALA 63 63 6955 1 . SER 64 64 6955 1 . GLY 65 65 6955 1 . ALA 66 66 6955 1 . ARG 67 67 6955 1 . TYR 68 68 6955 1 . THR 69 69 6955 1 . ASP 70 70 6955 1 . GLY 71 71 6955 1 . ILE 72 72 6955 1 . TYR 73 73 6955 1 . VAL 74 74 6955 1 . PHE 75 75 6955 1 . TRP 76 76 6955 1 . SER 77 77 6955 1 . LYS 78 78 6955 1 . GLY 79 79 6955 1 . ASP 80 80 6955 1 . GLU 81 81 6955 1 . ALA 82 82 6955 1 . THR 83 83 6955 1 . VAL 84 84 6955 1 . TYR 85 85 6955 1 . LYS 86 86 6955 1 . ARG 87 87 6955 1 . ASP 88 88 6955 1 . ARG 89 89 6955 1 . ILE 90 90 6955 1 . VAL 91 91 6955 1 . LEU 92 92 6955 1 . ASN 93 93 6955 1 . ASN 94 94 6955 1 . CYS 95 95 6955 1 . GLN 96 96 6955 1 . LEU 97 97 6955 1 . GLN 98 98 6955 1 . ASN 99 99 6955 1 . PRO 100 100 6955 1 . GLN 101 101 6955 1 . ARG 102 102 6955 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 6955 _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 $ydhA . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6955 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 6955 _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 $ydhA . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6955 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6955 _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 'Hypothetical protein ydhA' '[U-13C; U-15N]' . . 1 $ydhA . . 0.5 . . mM . . . . 6955 1 2 'sodium phosphate' . . . . . . . 10 . . mM . . . . 6955 1 3 NaCl . . . . . . . 400 . . mM . . . . 6955 1 4 dithiothreitol . . . . . . . 10 . . mM . . . . 6955 1 5 'sodium azide' . . . . . . . 0.01 . . % . . . . 6955 1 6 benzamidine . . . . . . . 1 . . mM . . . . 6955 1 7 H2O . . . . . . . 90 . . % . . . . 6955 1 8 D2O . . . . . . . 10 . . % . . . . 6955 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6955 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 410 . mM 6955 1 pH 6.5 . pH 6955 1 pressure 1 . atm 6955 1 temperature 298.0 . K 6955 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6955 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1B _Software.Details 'Varian Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6955 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6955 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details 'Frank Delaglio Stephan Grzesiek, Guang Zhu, Geerten W. Vuister, John Pfeifer, and Ad Bax.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6955 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 6955 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details 'B.A. Johnson' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6955 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6955 _Software.ID 4 _Software.Name CYANA _Software.Version 2.032.3 _Software.Details 'Guntert, P., Mumenthaler, C. and Wuthrich, K.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6955 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6955 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details ; A. T. Brunger, P. D. Adams, G. M. Clore, W. L. Delano, P. Gros, R. W. Grosse-Kunstleve, J. -S. Jiang, J. Kuszewski, M. Nilges, N. S. Pannu, R. J. Read, L. M. Rice, T. Simonson, G. L. Warren. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6955 5 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 6955 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6955 _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 . 600 . . . 6955 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 6955 _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 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6955 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6955 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 6955 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.25144952 . cylindrical . 1 $entry_citation . . 1 $entry_citation 6955 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6955 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.10132905 . cylindrical . 1 $entry_citation . . 1 $entry_citation 6955 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 6955 _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 . 6955 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 22 22 GLN CA C 13 56.517 0.060 . 1 . . . . 2 . . . 6955 1 2 . 1 1 22 22 GLN HA H 1 4.438 0.030 . 1 . . . . 2 . . . 6955 1 3 . 1 1 22 22 GLN CB C 13 29.393 0.060 . 1 . . . . 2 . . . 6955 1 4 . 1 1 22 22 GLN HB2 H 1 2.275 0.030 . 1 . . . . 2 . . . 6955 1 5 . 1 1 22 22 GLN HB3 H 1 2.089 0.030 . 1 . . . . 2 . . . 6955 1 6 . 1 1 22 22 GLN CG C 13 33.940 0.060 . 1 . . . . 2 . . . 6955 1 7 . 1 1 22 22 GLN HG3 H 1 2.428 0.030 . 1 . . . . 2 . . . 6955 1 8 . 1 1 22 22 GLN NE2 N 15 112.659 0.10 . 1 . . . . 2 . . . 6955 1 9 . 1 1 22 22 GLN HE21 H 1 7.615 0.030 . 1 . . . . 2 . . . 6955 1 10 . 1 1 22 22 GLN HE22 H 1 6.883 0.030 . 1 . . . . 2 . . . 6955 1 11 . 1 1 22 22 GLN C C 13 175.358 0.060 . 1 . . . . 2 . . . 6955 1 12 . 1 1 23 23 THR N N 15 114.830 0.10 . 1 . . . . 3 . . . 6955 1 13 . 1 1 23 23 THR H H 1 7.998 0.030 . 1 . . . . 3 . . . 6955 1 14 . 1 1 23 23 THR CA C 13 61.035 0.060 . 1 . . . . 3 . . . 6955 1 15 . 1 1 23 23 THR HA H 1 5.051 0.030 . 1 . . . . 3 . . . 6955 1 16 . 1 1 23 23 THR CB C 13 70.652 0.060 . 1 . . . . 3 . . . 6955 1 17 . 1 1 23 23 THR HB H 1 4.111 0.030 . 1 . . . . 3 . . . 6955 1 18 . 1 1 23 23 THR CG2 C 13 21.737 0.060 . 1 . . . . 3 . . . 6955 1 19 . 1 1 23 23 THR HG21 H 1 1.121 0.030 . 1 . . . . 3 . . . 6955 1 20 . 1 1 23 23 THR HG22 H 1 1.121 0.030 . 1 . . . . 3 . . . 6955 1 21 . 1 1 23 23 THR HG23 H 1 1.121 0.030 . 1 . . . . 3 . . . 6955 1 22 . 1 1 23 23 THR C C 13 173.766 0.060 . 1 . . . . 3 . . . 6955 1 23 . 1 1 24 24 ASP N N 15 124.622 0.10 . 1 . . . . 4 . . . 6955 1 24 . 1 1 24 24 ASP H H 1 8.856 0.030 . 1 . . . . 4 . . . 6955 1 25 . 1 1 24 24 ASP CA C 13 53.720 0.060 . 1 . . . . 4 . . . 6955 1 26 . 1 1 24 24 ASP HA H 1 4.975 0.030 . 1 . . . . 4 . . . 6955 1 27 . 1 1 24 24 ASP CB C 13 43.627 0.060 . 1 . . . . 4 . . . 6955 1 28 . 1 1 24 24 ASP HB2 H 1 2.598 0.030 . 1 . . . . 4 . . . 6955 1 29 . 1 1 24 24 ASP HB3 H 1 2.665 0.030 . 1 . . . . 4 . . . 6955 1 30 . 1 1 24 24 ASP C C 13 175.252 0.060 . 1 . . . . 4 . . . 6955 1 31 . 1 1 25 25 THR N N 15 118.247 0.10 . 1 . . . . 5 . . . 6955 1 32 . 1 1 25 25 THR H H 1 8.604 0.030 . 1 . . . . 5 . . . 6955 1 33 . 1 1 25 25 THR CA C 13 62.779 0.060 . 1 . . . . 5 . . . 6955 1 34 . 1 1 25 25 THR HA H 1 4.811 0.030 . 1 . . . . 5 . . . 6955 1 35 . 1 1 25 25 THR CB C 13 69.747 0.060 . 1 . . . . 5 . . . 6955 1 36 . 1 1 25 25 THR HB H 1 4.003 0.030 . 1 . . . . 5 . . . 6955 1 37 . 1 1 25 25 THR CG2 C 13 22.200 0.060 . 1 . . . . 5 . . . 6955 1 38 . 1 1 25 25 THR HG21 H 1 1.036 0.030 . 1 . . . . 5 . . . 6955 1 39 . 1 1 25 25 THR HG22 H 1 1.036 0.030 . 1 . . . . 5 . . . 6955 1 40 . 1 1 25 25 THR HG23 H 1 1.036 0.030 . 1 . . . . 5 . . . 6955 1 41 . 1 1 25 25 THR C C 13 173.106 0.060 . 1 . . . . 5 . . . 6955 1 42 . 1 1 26 26 LEU N N 15 130.358 0.10 . 1 . . . . 6 . . . 6955 1 43 . 1 1 26 26 LEU H H 1 9.598 0.030 . 1 . . . . 6 . . . 6955 1 44 . 1 1 26 26 LEU CA C 13 53.943 0.060 . 1 . . . . 6 . . . 6955 1 45 . 1 1 26 26 LEU HA H 1 4.458 0.030 . 1 . . . . 6 . . . 6955 1 46 . 1 1 26 26 LEU CB C 13 43.617 0.060 . 1 . . . . 6 . . . 6955 1 47 . 1 1 26 26 LEU HB2 H 1 1.228 0.030 . 1 . . . . 6 . . . 6955 1 48 . 1 1 26 26 LEU HB3 H 1 1.793 0.030 . 1 . . . . 6 . . . 6955 1 49 . 1 1 26 26 LEU CG C 13 27.589 0.060 . 1 . . . . 6 . . . 6955 1 50 . 1 1 26 26 LEU HG H 1 1.579 0.030 . 1 . . . . 6 . . . 6955 1 51 . 1 1 26 26 LEU CD1 C 13 25.974 0.060 . 1 . . . . 6 . . . 6955 1 52 . 1 1 26 26 LEU HD11 H 1 0.922 0.030 . 1 . . . . 6 . . . 6955 1 53 . 1 1 26 26 LEU HD12 H 1 0.922 0.030 . 1 . . . . 6 . . . 6955 1 54 . 1 1 26 26 LEU HD13 H 1 0.922 0.030 . 1 . . . . 6 . . . 6955 1 55 . 1 1 26 26 LEU CD2 C 13 23.658 0.060 . 1 . . . . 6 . . . 6955 1 56 . 1 1 26 26 LEU HD21 H 1 0.901 0.030 . 1 . . . . 6 . . . 6955 1 57 . 1 1 26 26 LEU HD22 H 1 0.901 0.030 . 1 . . . . 6 . . . 6955 1 58 . 1 1 26 26 LEU HD23 H 1 0.901 0.030 . 1 . . . . 6 . . . 6955 1 59 . 1 1 26 26 LEU C C 13 174.514 0.060 . 1 . . . . 6 . . . 6955 1 60 . 1 1 27 27 GLU N N 15 122.226 0.10 . 1 . . . . 7 . . . 6955 1 61 . 1 1 27 27 GLU H H 1 8.535 0.030 . 1 . . . . 7 . . . 6955 1 62 . 1 1 27 27 GLU CA C 13 54.620 0.060 . 1 . . . . 7 . . . 6955 1 63 . 1 1 27 27 GLU HA H 1 5.082 0.030 . 1 . . . . 7 . . . 6955 1 64 . 1 1 27 27 GLU CB C 13 30.247 0.060 . 1 . . . . 7 . . . 6955 1 65 . 1 1 27 27 GLU HB2 H 1 1.733 0.030 . 1 . . . . 7 . . . 6955 1 66 . 1 1 27 27 GLU HB3 H 1 1.868 0.030 . 1 . . . . 7 . . . 6955 1 67 . 1 1 27 27 GLU CG C 13 34.890 0.060 . 1 . . . . 7 . . . 6955 1 68 . 1 1 27 27 GLU HG2 H 1 2.064 0.030 . 1 . . . . 7 . . . 6955 1 69 . 1 1 27 27 GLU HG3 H 1 2.198 0.030 . 1 . . . . 7 . . . 6955 1 70 . 1 1 27 27 GLU C C 13 174.575 0.060 . 1 . . . . 7 . . . 6955 1 71 . 1 1 28 28 TYR N N 15 120.206 0.10 . 1 . . . . 8 . . . 6955 1 72 . 1 1 28 28 TYR H H 1 9.350 0.030 . 1 . . . . 8 . . . 6955 1 73 . 1 1 28 28 TYR CA C 13 57.252 0.060 . 1 . . . . 8 . . . 6955 1 74 . 1 1 28 28 TYR HA H 1 4.396 0.030 . 1 . . . . 8 . . . 6955 1 75 . 1 1 28 28 TYR CB C 13 42.662 0.060 . 1 . . . . 8 . . . 6955 1 76 . 1 1 28 28 TYR HB2 H 1 2.603 0.030 . 1 . . . . 8 . . . 6955 1 77 . 1 1 28 28 TYR HB3 H 1 3.161 0.030 . 1 . . . . 8 . . . 6955 1 78 . 1 1 28 28 TYR HD1 H 1 7.420 0.030 . 3 . . . . 8 . . . 6955 1 79 . 1 1 28 28 TYR C C 13 177.156 0.060 . 1 . . . . 8 . . . 6955 1 80 . 1 1 29 29 GLN N N 15 121.101 0.10 . 1 . . . . 9 . . . 6955 1 81 . 1 1 29 29 GLN H H 1 8.574 0.030 . 1 . . . . 9 . . . 6955 1 82 . 1 1 29 29 GLN CA C 13 55.809 0.060 . 1 . . . . 9 . . . 6955 1 83 . 1 1 29 29 GLN HA H 1 4.656 0.030 . 1 . . . . 9 . . . 6955 1 84 . 1 1 29 29 GLN CB C 13 30.384 0.060 . 1 . . . . 9 . . . 6955 1 85 . 1 1 29 29 GLN HB2 H 1 1.985 0.030 . 1 . . . . 9 . . . 6955 1 86 . 1 1 29 29 GLN HB3 H 1 2.132 0.030 . 1 . . . . 9 . . . 6955 1 87 . 1 1 29 29 GLN CG C 13 33.435 0.060 . 1 . . . . 9 . . . 6955 1 88 . 1 1 29 29 GLN HG2 H 1 2.271 0.030 . 1 . . . . 9 . . . 6955 1 89 . 1 1 29 29 GLN HG3 H 1 2.389 0.030 . 1 . . . . 9 . . . 6955 1 90 . 1 1 29 29 GLN C C 13 175.478 0.060 . 1 . . . . 9 . . . 6955 1 91 . 1 1 30 30 CYS N N 15 126.286 0.10 . 1 . . . . 10 . . . 6955 1 92 . 1 1 30 30 CYS H H 1 7.863 0.030 . 1 . . . . 10 . . . 6955 1 93 . 1 1 30 30 CYS CA C 13 54.908 0.060 . 1 . . . . 10 . . . 6955 1 94 . 1 1 30 30 CYS HA H 1 5.221 0.030 . 1 . . . . 10 . . . 6955 1 95 . 1 1 30 30 CYS CB C 13 45.434 0.060 . 1 . . . . 10 . . . 6955 1 96 . 1 1 30 30 CYS HB2 H 1 3.367 0.030 . 1 . . . . 10 . . . 6955 1 97 . 1 1 30 30 CYS HB3 H 1 3.748 0.030 . 1 . . . . 10 . . . 6955 1 98 . 1 1 30 30 CYS C C 13 173.797 0.060 . 1 . . . . 10 . . . 6955 1 99 . 1 1 31 31 ASP N N 15 122.756 0.10 . 1 . . . . 11 . . . 6955 1 100 . 1 1 31 31 ASP H H 1 8.864 0.030 . 1 . . . . 11 . . . 6955 1 101 . 1 1 31 31 ASP CA C 13 58.216 0.060 . 1 . . . . 11 . . . 6955 1 102 . 1 1 31 31 ASP HA H 1 4.310 0.030 . 1 . . . . 11 . . . 6955 1 103 . 1 1 31 31 ASP CB C 13 39.315 0.060 . 1 . . . . 11 . . . 6955 1 104 . 1 1 31 31 ASP HB2 H 1 3.062 0.030 . 1 . . . . 11 . . . 6955 1 105 . 1 1 31 31 ASP HB3 H 1 2.680 0.030 . 1 . . . . 11 . . . 6955 1 106 . 1 1 31 31 ASP C C 13 179.020 0.060 . 1 . . . . 11 . . . 6955 1 107 . 1 1 32 32 GLU N N 15 116.802 0.10 . 1 . . . . 12 . . . 6955 1 108 . 1 1 32 32 GLU H H 1 9.652 0.030 . 1 . . . . 12 . . . 6955 1 109 . 1 1 32 32 GLU CA C 13 60.367 0.060 . 1 . . . . 12 . . . 6955 1 110 . 1 1 32 32 GLU HA H 1 4.052 0.030 . 1 . . . . 12 . . . 6955 1 111 . 1 1 32 32 GLU CB C 13 30.082 0.060 . 1 . . . . 12 . . . 6955 1 112 . 1 1 32 32 GLU HB2 H 1 2.077 0.030 . 1 . . . . 12 . . . 6955 1 113 . 1 1 32 32 GLU HB3 H 1 2.255 0.030 . 1 . . . . 12 . . . 6955 1 114 . 1 1 32 32 GLU CG C 13 37.704 0.060 . 1 . . . . 12 . . . 6955 1 115 . 1 1 32 32 GLU HG2 H 1 2.309 0.030 . 1 . . . . 12 . . . 6955 1 116 . 1 1 32 32 GLU HG3 H 1 2.735 0.030 . 1 . . . . 12 . . . 6955 1 117 . 1 1 32 32 GLU C C 13 176.923 0.060 . 1 . . . . 12 . . . 6955 1 118 . 1 1 33 33 LYS N N 15 113.383 0.10 . 1 . . . . 13 . . . 6955 1 119 . 1 1 33 33 LYS H H 1 7.005 0.030 . 1 . . . . 13 . . . 6955 1 120 . 1 1 33 33 LYS CA C 13 54.601 0.060 . 1 . . . . 13 . . . 6955 1 121 . 1 1 33 33 LYS HA H 1 5.196 0.030 . 1 . . . . 13 . . . 6955 1 122 . 1 1 33 33 LYS CB C 13 31.661 0.060 . 1 . . . . 13 . . . 6955 1 123 . 1 1 33 33 LYS HB2 H 1 2.029 0.030 . 1 . . . . 13 . . . 6955 1 124 . 1 1 33 33 LYS HB3 H 1 1.857 0.030 . 1 . . . . 13 . . . 6955 1 125 . 1 1 33 33 LYS HG2 H 1 1.186 0.030 . 1 . . . . 13 . . . 6955 1 126 . 1 1 33 33 LYS HG3 H 1 1.364 0.030 . 1 . . . . 13 . . . 6955 1 127 . 1 1 33 33 LYS CD C 13 29.352 0.060 . 1 . . . . 13 . . . 6955 1 128 . 1 1 33 33 LYS HD2 H 1 1.051 0.030 . 1 . . . . 13 . . . 6955 1 129 . 1 1 33 33 LYS HD3 H 1 1.010 0.030 . 1 . . . . 13 . . . 6955 1 130 . 1 1 33 33 LYS CE C 13 42.996 0.060 . 1 . . . . 13 . . . 6955 1 131 . 1 1 33 33 LYS HE2 H 1 2.367 0.030 . 1 . . . . 13 . . . 6955 1 132 . 1 1 33 33 LYS HE3 H 1 2.598 0.030 . 1 . . . . 13 . . . 6955 1 133 . 1 1 34 34 PRO CA C 13 62.993 0.060 . 1 . . . . 14 . . . 6955 1 134 . 1 1 34 34 PRO HA H 1 4.883 0.030 . 1 . . . . 14 . . . 6955 1 135 . 1 1 34 34 PRO CB C 13 32.245 0.060 . 1 . . . . 14 . . . 6955 1 136 . 1 1 34 34 PRO HB2 H 1 2.147 0.030 . 1 . . . . 14 . . . 6955 1 137 . 1 1 34 34 PRO HB3 H 1 2.311 0.030 . 1 . . . . 14 . . . 6955 1 138 . 1 1 34 34 PRO CG C 13 27.561 0.060 . 1 . . . . 14 . . . 6955 1 139 . 1 1 34 34 PRO HG2 H 1 2.049 0.030 . 1 . . . . 14 . . . 6955 1 140 . 1 1 34 34 PRO HG3 H 1 2.138 0.030 . 1 . . . . 14 . . . 6955 1 141 . 1 1 34 34 PRO CD C 13 50.976 0.060 . 1 . . . . 14 . . . 6955 1 142 . 1 1 34 34 PRO HD2 H 1 4.145 0.030 . 1 . . . . 14 . . . 6955 1 143 . 1 1 34 34 PRO HD3 H 1 3.801 0.030 . 1 . . . . 14 . . . 6955 1 144 . 1 1 34 34 PRO C C 13 174.770 0.060 . 1 . . . . 14 . . . 6955 1 145 . 1 1 35 35 LEU N N 15 121.945 0.10 . 1 . . . . 15 . . . 6955 1 146 . 1 1 35 35 LEU H H 1 8.485 0.030 . 1 . . . . 15 . . . 6955 1 147 . 1 1 35 35 LEU CA C 13 54.918 0.060 . 1 . . . . 15 . . . 6955 1 148 . 1 1 35 35 LEU HA H 1 4.723 0.030 . 1 . . . . 15 . . . 6955 1 149 . 1 1 35 35 LEU CB C 13 47.644 0.060 . 1 . . . . 15 . . . 6955 1 150 . 1 1 35 35 LEU HB2 H 1 1.277 0.030 . 1 . . . . 15 . . . 6955 1 151 . 1 1 35 35 LEU HB3 H 1 1.589 0.030 . 1 . . . . 15 . . . 6955 1 152 . 1 1 35 35 LEU CG C 13 27.473 0.060 . 1 . . . . 15 . . . 6955 1 153 . 1 1 35 35 LEU HG H 1 1.070 0.030 . 1 . . . . 15 . . . 6955 1 154 . 1 1 35 35 LEU CD1 C 13 25.135 0.060 . 1 . . . . 15 . . . 6955 1 155 . 1 1 35 35 LEU HD11 H 1 0.040 0.030 . 1 . . . . 15 . . . 6955 1 156 . 1 1 35 35 LEU HD12 H 1 0.040 0.030 . 1 . . . . 15 . . . 6955 1 157 . 1 1 35 35 LEU HD13 H 1 0.040 0.030 . 1 . . . . 15 . . . 6955 1 158 . 1 1 35 35 LEU CD2 C 13 22.325 0.060 . 1 . . . . 15 . . . 6955 1 159 . 1 1 35 35 LEU HD21 H 1 0.584 0.030 . 1 . . . . 15 . . . 6955 1 160 . 1 1 35 35 LEU HD22 H 1 0.584 0.030 . 1 . . . . 15 . . . 6955 1 161 . 1 1 35 35 LEU HD23 H 1 0.584 0.030 . 1 . . . . 15 . . . 6955 1 162 . 1 1 35 35 LEU C C 13 174.521 0.060 . 1 . . . . 15 . . . 6955 1 163 . 1 1 36 36 THR N N 15 126.005 0.10 . 1 . . . . 16 . . . 6955 1 164 . 1 1 36 36 THR H H 1 8.582 0.030 . 1 . . . . 16 . . . 6955 1 165 . 1 1 36 36 THR CA C 13 62.230 0.060 . 1 . . . . 16 . . . 6955 1 166 . 1 1 36 36 THR HA H 1 5.061 0.030 . 1 . . . . 16 . . . 6955 1 167 . 1 1 36 36 THR CB C 13 69.870 0.060 . 1 . . . . 16 . . . 6955 1 168 . 1 1 36 36 THR HB H 1 3.885 0.030 . 1 . . . . 16 . . . 6955 1 169 . 1 1 36 36 THR CG2 C 13 22.267 0.060 . 1 . . . . 16 . . . 6955 1 170 . 1 1 36 36 THR HG21 H 1 1.137 0.030 . 1 . . . . 16 . . . 6955 1 171 . 1 1 36 36 THR HG22 H 1 1.137 0.030 . 1 . . . . 16 . . . 6955 1 172 . 1 1 36 36 THR HG23 H 1 1.137 0.030 . 1 . . . . 16 . . . 6955 1 173 . 1 1 36 36 THR C C 13 173.931 0.060 . 1 . . . . 16 . . . 6955 1 174 . 1 1 37 37 VAL N N 15 128.059 0.10 . 1 . . . . 17 . . . 6955 1 175 . 1 1 37 37 VAL H H 1 9.484 0.030 . 1 . . . . 17 . . . 6955 1 176 . 1 1 37 37 VAL CA C 13 60.913 0.060 . 1 . . . . 17 . . . 6955 1 177 . 1 1 37 37 VAL HA H 1 4.529 0.030 . 1 . . . . 17 . . . 6955 1 178 . 1 1 37 37 VAL CB C 13 34.999 0.060 . 1 . . . . 17 . . . 6955 1 179 . 1 1 37 37 VAL HB H 1 1.995 0.030 . 1 . . . . 17 . . . 6955 1 180 . 1 1 37 37 VAL CG2 C 13 21.741 0.060 . 1 . . . . 17 . . . 6955 1 181 . 1 1 37 37 VAL HG21 H 1 0.395 0.030 . 1 . . . . 17 . . . 6955 1 182 . 1 1 37 37 VAL HG22 H 1 0.395 0.030 . 1 . . . . 17 . . . 6955 1 183 . 1 1 37 37 VAL HG23 H 1 0.395 0.030 . 1 . . . . 17 . . . 6955 1 184 . 1 1 37 37 VAL CG1 C 13 20.767 0.060 . 1 . . . . 17 . . . 6955 1 185 . 1 1 37 37 VAL HG11 H 1 0.421 0.030 . 1 . . . . 17 . . . 6955 1 186 . 1 1 37 37 VAL HG12 H 1 0.421 0.030 . 1 . . . . 17 . . . 6955 1 187 . 1 1 37 37 VAL HG13 H 1 0.421 0.030 . 1 . . . . 17 . . . 6955 1 188 . 1 1 37 37 VAL C C 13 174.063 0.060 . 1 . . . . 17 . . . 6955 1 189 . 1 1 38 38 LYS N N 15 125.808 0.10 . 1 . . . . 18 . . . 6955 1 190 . 1 1 38 38 LYS H H 1 8.909 0.030 . 1 . . . . 18 . . . 6955 1 191 . 1 1 38 38 LYS CA C 13 54.469 0.060 . 1 . . . . 18 . . . 6955 1 192 . 1 1 38 38 LYS HA H 1 5.065 0.030 . 1 . . . . 18 . . . 6955 1 193 . 1 1 38 38 LYS CB C 13 33.191 0.060 . 1 . . . . 18 . . . 6955 1 194 . 1 1 38 38 LYS HB2 H 1 1.608 0.030 . 1 . . . . 18 . . . 6955 1 195 . 1 1 38 38 LYS HB3 H 1 1.817 0.030 . 1 . . . . 18 . . . 6955 1 196 . 1 1 38 38 LYS CG C 13 25.027 0.060 . 1 . . . . 18 . . . 6955 1 197 . 1 1 38 38 LYS HG2 H 1 1.341 0.030 . 1 . . . . 18 . . . 6955 1 198 . 1 1 38 38 LYS HG3 H 1 1.426 0.030 . 1 . . . . 18 . . . 6955 1 199 . 1 1 38 38 LYS CD C 13 28.996 0.060 . 1 . . . . 18 . . . 6955 1 200 . 1 1 38 38 LYS HD2 H 1 1.545 0.030 . 1 . . . . 18 . . . 6955 1 201 . 1 1 38 38 LYS HD3 H 1 1.653 0.030 . 1 . . . . 18 . . . 6955 1 202 . 1 1 38 38 LYS CE C 13 44.845 0.060 . 1 . . . . 18 . . . 6955 1 203 . 1 1 38 38 LYS HE2 H 1 2.885 0.030 . 1 . . . . 18 . . . 6955 1 204 . 1 1 38 38 LYS HE3 H 1 2.889 0.030 . 1 . . . . 18 . . . 6955 1 205 . 1 1 38 38 LYS C C 13 175.351 0.060 . 1 . . . . 18 . . . 6955 1 206 . 1 1 39 39 LEU N N 15 128.357 0.10 . 1 . . . . 19 . . . 6955 1 207 . 1 1 39 39 LEU H H 1 9.107 0.030 . 1 . . . . 19 . . . 6955 1 208 . 1 1 39 39 LEU CA C 13 53.991 0.060 . 1 . . . . 19 . . . 6955 1 209 . 1 1 39 39 LEU HA H 1 4.786 0.030 . 1 . . . . 19 . . . 6955 1 210 . 1 1 39 39 LEU CB C 13 44.414 0.060 . 1 . . . . 19 . . . 6955 1 211 . 1 1 39 39 LEU HB2 H 1 1.190 0.030 . 1 . . . . 19 . . . 6955 1 212 . 1 1 39 39 LEU HB3 H 1 1.797 0.030 . 1 . . . . 19 . . . 6955 1 213 . 1 1 39 39 LEU CG C 13 28.077 0.060 . 1 . . . . 19 . . . 6955 1 214 . 1 1 39 39 LEU HG H 1 1.426 0.030 . 1 . . . . 19 . . . 6955 1 215 . 1 1 39 39 LEU CD1 C 13 26.009 0.060 . 1 . . . . 19 . . . 6955 1 216 . 1 1 39 39 LEU HD11 H 1 0.881 0.030 . 1 . . . . 19 . . . 6955 1 217 . 1 1 39 39 LEU HD12 H 1 0.881 0.030 . 1 . . . . 19 . . . 6955 1 218 . 1 1 39 39 LEU HD13 H 1 0.881 0.030 . 1 . . . . 19 . . . 6955 1 219 . 1 1 39 39 LEU CD2 C 13 23.640 0.060 . 1 . . . . 19 . . . 6955 1 220 . 1 1 39 39 LEU HD21 H 1 0.764 0.030 . 1 . . . . 19 . . . 6955 1 221 . 1 1 39 39 LEU HD22 H 1 0.764 0.030 . 1 . . . . 19 . . . 6955 1 222 . 1 1 39 39 LEU HD23 H 1 0.764 0.030 . 1 . . . . 19 . . . 6955 1 223 . 1 1 39 39 LEU C C 13 174.425 0.060 . 1 . . . . 19 . . . 6955 1 224 . 1 1 40 40 ASN N N 15 126.014 0.10 . 1 . . . . 20 . . . 6955 1 225 . 1 1 40 40 ASN H H 1 9.034 0.030 . 1 . . . . 20 . . . 6955 1 226 . 1 1 40 40 ASN CA C 13 51.924 0.060 . 1 . . . . 20 . . . 6955 1 227 . 1 1 40 40 ASN HA H 1 5.037 0.030 . 1 . . . . 20 . . . 6955 1 228 . 1 1 40 40 ASN CB C 13 39.299 0.060 . 1 . . . . 20 . . . 6955 1 229 . 1 1 40 40 ASN HB2 H 1 2.649 0.030 . 1 . . . . 20 . . . 6955 1 230 . 1 1 40 40 ASN HB3 H 1 3.048 0.030 . 1 . . . . 20 . . . 6955 1 231 . 1 1 40 40 ASN C C 13 174.900 0.060 . 1 . . . . 20 . . . 6955 1 232 . 1 1 41 41 ASN N N 15 123.151 0.10 . 1 . . . . 21 . . . 6955 1 233 . 1 1 41 41 ASN H H 1 8.798 0.030 . 1 . . . . 21 . . . 6955 1 234 . 1 1 41 41 ASN CA C 13 58.458 0.060 . 1 . . . . 21 . . . 6955 1 235 . 1 1 41 41 ASN HA H 1 5.046 0.030 . 1 . . . . 21 . . . 6955 1 236 . 1 1 41 41 ASN CB C 13 37.013 0.060 . 1 . . . . 21 . . . 6955 1 237 . 1 1 41 41 ASN HB2 H 1 2.647 0.030 . 1 . . . . 21 . . . 6955 1 238 . 1 1 41 41 ASN HB3 H 1 3.051 0.030 . 1 . . . . 21 . . . 6955 1 239 . 1 1 42 42 PRO CA C 13 66.521 0.060 . 1 . . . . 22 . . . 6955 1 240 . 1 1 42 42 PRO HA H 1 4.401 0.030 . 1 . . . . 22 . . . 6955 1 241 . 1 1 42 42 PRO CB C 13 31.207 0.060 . 1 . . . . 22 . . . 6955 1 242 . 1 1 42 42 PRO HB2 H 1 1.879 0.030 . 1 . . . . 22 . . . 6955 1 243 . 1 1 42 42 PRO HB3 H 1 2.422 0.030 . 1 . . . . 22 . . . 6955 1 244 . 1 1 42 42 PRO CG C 13 28.520 0.060 . 1 . . . . 22 . . . 6955 1 245 . 1 1 42 42 PRO HG2 H 1 2.212 0.030 . 1 . . . . 22 . . . 6955 1 246 . 1 1 42 42 PRO HG3 H 1 2.059 0.030 . 1 . . . . 22 . . . 6955 1 247 . 1 1 42 42 PRO CD C 13 50.555 0.060 . 1 . . . . 22 . . . 6955 1 248 . 1 1 42 42 PRO HD2 H 1 4.125 0.030 . 1 . . . . 22 . . . 6955 1 249 . 1 1 42 42 PRO HD3 H 1 4.151 0.030 . 1 . . . . 22 . . . 6955 1 250 . 1 1 42 42 PRO C C 13 178.390 0.060 . 1 . . . . 22 . . . 6955 1 251 . 1 1 43 43 ARG N N 15 112.297 0.10 . 1 . . . . 23 . . . 6955 1 252 . 1 1 43 43 ARG H H 1 7.437 0.030 . 1 . . . . 23 . . . 6955 1 253 . 1 1 43 43 ARG CA C 13 55.895 0.060 . 1 . . . . 23 . . . 6955 1 254 . 1 1 43 43 ARG HA H 1 4.379 0.030 . 1 . . . . 23 . . . 6955 1 255 . 1 1 43 43 ARG CB C 13 31.084 0.060 . 1 . . . . 23 . . . 6955 1 256 . 1 1 43 43 ARG HB2 H 1 1.887 0.030 . 1 . . . . 23 . . . 6955 1 257 . 1 1 43 43 ARG HB3 H 1 2.085 0.030 . 1 . . . . 23 . . . 6955 1 258 . 1 1 43 43 ARG CG C 13 28.072 0.060 . 1 . . . . 23 . . . 6955 1 259 . 1 1 43 43 ARG HG2 H 1 1.603 0.030 . 1 . . . . 23 . . . 6955 1 260 . 1 1 43 43 ARG HG3 H 1 1.362 0.030 . 1 . . . . 23 . . . 6955 1 261 . 1 1 43 43 ARG CD C 13 43.276 0.060 . 1 . . . . 23 . . . 6955 1 262 . 1 1 43 43 ARG HD2 H 1 3.273 0.030 . 1 . . . . 23 . . . 6955 1 263 . 1 1 43 43 ARG HD3 H 1 3.209 0.030 . 1 . . . . 23 . . . 6955 1 264 . 1 1 43 43 ARG C C 13 174.908 0.060 . 1 . . . . 23 . . . 6955 1 265 . 1 1 44 44 GLN N N 15 118.086 0.10 . 1 . . . . 24 . . . 6955 1 266 . 1 1 44 44 GLN H H 1 8.290 0.030 . 1 . . . . 24 . . . 6955 1 267 . 1 1 44 44 GLN CA C 13 56.725 0.060 . 1 . . . . 24 . . . 6955 1 268 . 1 1 44 44 GLN HA H 1 4.234 0.030 . 1 . . . . 24 . . . 6955 1 269 . 1 1 44 44 GLN CB C 13 26.958 0.060 . 1 . . . . 24 . . . 6955 1 270 . 1 1 44 44 GLN HB2 H 1 2.410 0.030 . 1 . . . . 24 . . . 6955 1 271 . 1 1 44 44 GLN HB3 H 1 2.501 0.030 . 1 . . . . 24 . . . 6955 1 272 . 1 1 44 44 GLN CG C 13 34.511 0.060 . 1 . . . . 24 . . . 6955 1 273 . 1 1 44 44 GLN HG2 H 1 2.355 0.030 . 1 . . . . 24 . . . 6955 1 274 . 1 1 44 44 GLN HG3 H 1 2.516 0.030 . 1 . . . . 24 . . . 6955 1 275 . 1 1 44 44 GLN C C 13 174.137 0.060 . 1 . . . . 24 . . . 6955 1 276 . 1 1 45 45 GLU N N 15 115.674 0.10 . 1 . . . . 25 . . . 6955 1 277 . 1 1 45 45 GLU H H 1 7.749 0.030 . 1 . . . . 25 . . . 6955 1 278 . 1 1 45 45 GLU CA C 13 54.368 0.060 . 1 . . . . 25 . . . 6955 1 279 . 1 1 45 45 GLU HA H 1 5.747 0.030 . 1 . . . . 25 . . . 6955 1 280 . 1 1 45 45 GLU CB C 13 36.530 0.060 . 1 . . . . 25 . . . 6955 1 281 . 1 1 45 45 GLU HB2 H 1 1.812 0.030 . 1 . . . . 25 . . . 6955 1 282 . 1 1 45 45 GLU HB3 H 1 1.922 0.030 . 1 . . . . 25 . . . 6955 1 283 . 1 1 45 45 GLU HG2 H 1 2.072 0.030 . 1 . . . . 25 . . . 6955 1 284 . 1 1 45 45 GLU HG3 H 1 2.228 0.030 . 1 . . . . 25 . . . 6955 1 285 . 1 1 45 45 GLU C C 13 175.793 0.060 . 1 . . . . 25 . . . 6955 1 286 . 1 1 46 46 VAL N N 15 117.000 0.10 . 1 . . . . 26 . . . 6955 1 287 . 1 1 46 46 VAL H H 1 8.620 0.030 . 1 . . . . 26 . . . 6955 1 288 . 1 1 46 46 VAL CA C 13 58.867 0.060 . 1 . . . . 26 . . . 6955 1 289 . 1 1 46 46 VAL HA H 1 5.254 0.030 . 1 . . . . 26 . . . 6955 1 290 . 1 1 46 46 VAL CB C 13 34.800 0.060 . 1 . . . . 26 . . . 6955 1 291 . 1 1 46 46 VAL HB H 1 1.346 0.030 . 1 . . . . 26 . . . 6955 1 292 . 1 1 46 46 VAL CG2 C 13 19.305 0.060 . 1 . . . . 26 . . . 6955 1 293 . 1 1 46 46 VAL HG21 H 1 0.225 0.030 . 1 . . . . 26 . . . 6955 1 294 . 1 1 46 46 VAL HG22 H 1 0.225 0.030 . 1 . . . . 26 . . . 6955 1 295 . 1 1 46 46 VAL HG23 H 1 0.225 0.030 . 1 . . . . 26 . . . 6955 1 296 . 1 1 46 46 VAL CG1 C 13 20.709 0.060 . 1 . . . . 26 . . . 6955 1 297 . 1 1 46 46 VAL HG11 H 1 0.002 0.030 . 1 . . . . 26 . . . 6955 1 298 . 1 1 46 46 VAL HG12 H 1 0.002 0.030 . 1 . . . . 26 . . . 6955 1 299 . 1 1 46 46 VAL HG13 H 1 0.002 0.030 . 1 . . . . 26 . . . 6955 1 300 . 1 1 46 46 VAL C C 13 176.266 0.060 . 1 . . . . 26 . . . 6955 1 301 . 1 1 47 47 SER N N 15 115.794 0.10 . 1 . . . . 27 . . . 6955 1 302 . 1 1 47 47 SER H H 1 8.787 0.030 . 1 . . . . 27 . . . 6955 1 303 . 1 1 47 47 SER CA C 13 56.314 0.060 . 1 . . . . 27 . . . 6955 1 304 . 1 1 47 47 SER HA H 1 5.315 0.030 . 1 . . . . 27 . . . 6955 1 305 . 1 1 47 47 SER CB C 13 66.293 0.060 . 1 . . . . 27 . . . 6955 1 306 . 1 1 47 47 SER HB2 H 1 3.578 0.030 . 1 . . . . 27 . . . 6955 1 307 . 1 1 47 47 SER HB3 H 1 3.568 0.030 . 1 . . . . 27 . . . 6955 1 308 . 1 1 47 47 SER C C 13 173.382 0.060 . 1 . . . . 27 . . . 6955 1 309 . 1 1 48 48 PHE N N 15 116.719 0.10 . 1 . . . . 28 . . . 6955 1 310 . 1 1 48 48 PHE H H 1 7.420 0.030 . 1 . . . . 28 . . . 6955 1 311 . 1 1 48 48 PHE CA C 13 55.863 0.060 . 1 . . . . 28 . . . 6955 1 312 . 1 1 48 48 PHE HA H 1 4.760 0.030 . 1 . . . . 28 . . . 6955 1 313 . 1 1 48 48 PHE CB C 13 39.852 0.060 . 1 . . . . 28 . . . 6955 1 314 . 1 1 48 48 PHE HB2 H 1 2.916 0.030 . 1 . . . . 28 . . . 6955 1 315 . 1 1 48 48 PHE HB3 H 1 3.705 0.030 . 1 . . . . 28 . . . 6955 1 316 . 1 1 48 48 PHE HD1 H 1 7.200 0.030 . 3 . . . . 28 . . . 6955 1 317 . 1 1 48 48 PHE C C 13 172.248 0.060 . 1 . . . . 28 . . . 6955 1 318 . 1 1 49 49 VAL N N 15 120.689 0.10 . 1 . . . . 29 . . . 6955 1 319 . 1 1 49 49 VAL H H 1 8.846 0.030 . 1 . . . . 29 . . . 6955 1 320 . 1 1 49 49 VAL CA C 13 61.094 0.060 . 1 . . . . 29 . . . 6955 1 321 . 1 1 49 49 VAL HA H 1 4.883 0.030 . 1 . . . . 29 . . . 6955 1 322 . 1 1 49 49 VAL CB C 13 32.655 0.060 . 1 . . . . 29 . . . 6955 1 323 . 1 1 49 49 VAL HB H 1 1.884 0.030 . 1 . . . . 29 . . . 6955 1 324 . 1 1 49 49 VAL CG2 C 13 20.849 0.060 . 1 . . . . 29 . . . 6955 1 325 . 1 1 49 49 VAL HG21 H 1 0.716 0.030 . 1 . . . . 29 . . . 6955 1 326 . 1 1 49 49 VAL HG22 H 1 0.716 0.030 . 1 . . . . 29 . . . 6955 1 327 . 1 1 49 49 VAL HG23 H 1 0.716 0.030 . 1 . . . . 29 . . . 6955 1 328 . 1 1 49 49 VAL CG1 C 13 22.230 0.060 . 1 . . . . 29 . . . 6955 1 329 . 1 1 49 49 VAL HG11 H 1 0.742 0.030 . 1 . . . . 29 . . . 6955 1 330 . 1 1 49 49 VAL HG12 H 1 0.742 0.030 . 1 . . . . 29 . . . 6955 1 331 . 1 1 49 49 VAL HG13 H 1 0.742 0.030 . 1 . . . . 29 . . . 6955 1 332 . 1 1 49 49 VAL C C 13 175.917 0.060 . 1 . . . . 29 . . . 6955 1 333 . 1 1 50 50 TYR N N 15 127.171 0.10 . 1 . . . . 30 . . . 6955 1 334 . 1 1 50 50 TYR H H 1 8.685 0.030 . 1 . . . . 30 . . . 6955 1 335 . 1 1 50 50 TYR CA C 13 58.877 0.060 . 1 . . . . 30 . . . 6955 1 336 . 1 1 50 50 TYR HA H 1 4.397 0.030 . 1 . . . . 30 . . . 6955 1 337 . 1 1 50 50 TYR CB C 13 42.104 0.060 . 1 . . . . 30 . . . 6955 1 338 . 1 1 50 50 TYR HB2 H 1 2.503 0.030 . 1 . . . . 30 . . . 6955 1 339 . 1 1 50 50 TYR HB3 H 1 2.984 0.030 . 1 . . . . 30 . . . 6955 1 340 . 1 1 50 50 TYR C C 13 174.386 0.060 . 1 . . . . 30 . . . 6955 1 341 . 1 1 51 51 ASP N N 15 128.216 0.10 . 1 . . . . 31 . . . 6955 1 342 . 1 1 51 51 ASP H H 1 8.206 0.030 . 1 . . . . 31 . . . 6955 1 343 . 1 1 51 51 ASP CA C 13 55.311 0.060 . 1 . . . . 31 . . . 6955 1 344 . 1 1 51 51 ASP HA H 1 3.984 0.030 . 1 . . . . 31 . . . 6955 1 345 . 1 1 51 51 ASP CB C 13 39.022 0.060 . 1 . . . . 31 . . . 6955 1 346 . 1 1 51 51 ASP HB2 H 1 2.217 0.030 . 1 . . . . 31 . . . 6955 1 347 . 1 1 51 51 ASP HB3 H 1 2.990 0.030 . 1 . . . . 31 . . . 6955 1 348 . 1 1 51 51 ASP C C 13 175.370 0.060 . 1 . . . . 31 . . . 6955 1 349 . 1 1 52 52 ASN N N 15 108.599 0.10 . 1 . . . . 32 . . . 6955 1 350 . 1 1 52 52 ASN H H 1 8.521 0.030 . 1 . . . . 32 . . . 6955 1 351 . 1 1 52 52 ASN CA C 13 54.766 0.060 . 1 . . . . 32 . . . 6955 1 352 . 1 1 52 52 ASN HA H 1 4.041 0.030 . 1 . . . . 32 . . . 6955 1 353 . 1 1 52 52 ASN CB C 13 37.982 0.060 . 1 . . . . 32 . . . 6955 1 354 . 1 1 52 52 ASN HB2 H 1 2.848 0.030 . 1 . . . . 32 . . . 6955 1 355 . 1 1 52 52 ASN HB3 H 1 3.042 0.030 . 1 . . . . 32 . . . 6955 1 356 . 1 1 52 52 ASN C C 13 173.580 0.060 . 1 . . . . 32 . . . 6955 1 357 . 1 1 53 53 GLN N N 15 118.367 0.10 . 1 . . . . 33 . . . 6955 1 358 . 1 1 53 53 GLN H H 1 7.732 0.030 . 1 . . . . 33 . . . 6955 1 359 . 1 1 53 53 GLN CA C 13 54.372 0.060 . 1 . . . . 33 . . . 6955 1 360 . 1 1 53 53 GLN HA H 1 4.546 0.030 . 1 . . . . 33 . . . 6955 1 361 . 1 1 53 53 GLN CB C 13 32.185 0.060 . 1 . . . . 33 . . . 6955 1 362 . 1 1 53 53 GLN HB2 H 1 2.100 0.030 . 1 . . . . 33 . . . 6955 1 363 . 1 1 53 53 GLN HB3 H 1 2.343 0.030 . 1 . . . . 33 . . . 6955 1 364 . 1 1 53 53 GLN CG C 13 39.257 0.060 . 1 . . . . 33 . . . 6955 1 365 . 1 1 53 53 GLN HG2 H 1 2.315 0.030 . 1 . . . . 33 . . . 6955 1 366 . 1 1 53 53 GLN HG3 H 1 1.990 0.030 . 1 . . . . 33 . . . 6955 1 367 . 1 1 53 53 GLN C C 13 172.938 0.060 . 1 . . . . 33 . . . 6955 1 368 . 1 1 54 54 LEU N N 15 124.397 0.10 . 1 . . . . 34 . . . 6955 1 369 . 1 1 54 54 LEU H H 1 8.369 0.030 . 1 . . . . 34 . . . 6955 1 370 . 1 1 54 54 LEU CA C 13 54.852 0.060 . 1 . . . . 34 . . . 6955 1 371 . 1 1 54 54 LEU HA H 1 4.240 0.030 . 1 . . . . 34 . . . 6955 1 372 . 1 1 54 54 LEU CB C 13 41.355 0.060 . 1 . . . . 34 . . . 6955 1 373 . 1 1 54 54 LEU HB2 H 1 1.231 0.030 . 1 . . . . 34 . . . 6955 1 374 . 1 1 54 54 LEU HB3 H 1 1.754 0.030 . 1 . . . . 34 . . . 6955 1 375 . 1 1 54 54 LEU CG C 13 27.094 0.060 . 1 . . . . 34 . . . 6955 1 376 . 1 1 54 54 LEU HG H 1 1.224 0.030 . 1 . . . . 34 . . . 6955 1 377 . 1 1 54 54 LEU CD1 C 13 26.109 0.060 . 1 . . . . 34 . . . 6955 1 378 . 1 1 54 54 LEU HD11 H 1 0.873 0.030 . 1 . . . . 34 . . . 6955 1 379 . 1 1 54 54 LEU HD12 H 1 0.873 0.030 . 1 . . . . 34 . . . 6955 1 380 . 1 1 54 54 LEU HD13 H 1 0.873 0.030 . 1 . . . . 34 . . . 6955 1 381 . 1 1 54 54 LEU CD2 C 13 23.105 0.060 . 1 . . . . 34 . . . 6955 1 382 . 1 1 54 54 LEU HD21 H 1 0.613 0.030 . 1 . . . . 34 . . . 6955 1 383 . 1 1 54 54 LEU HD22 H 1 0.613 0.030 . 1 . . . . 34 . . . 6955 1 384 . 1 1 54 54 LEU HD23 H 1 0.613 0.030 . 1 . . . . 34 . . . 6955 1 385 . 1 1 54 54 LEU C C 13 175.008 0.060 . 1 . . . . 34 . . . 6955 1 386 . 1 1 55 55 LEU N N 15 130.105 0.10 . 1 . . . . 35 . . . 6955 1 387 . 1 1 55 55 LEU H H 1 8.514 0.030 . 1 . . . . 35 . . . 6955 1 388 . 1 1 55 55 LEU CA C 13 53.748 0.060 . 1 . . . . 35 . . . 6955 1 389 . 1 1 55 55 LEU HA H 1 4.313 0.030 . 1 . . . . 35 . . . 6955 1 390 . 1 1 55 55 LEU CB C 13 42.762 0.060 . 1 . . . . 35 . . . 6955 1 391 . 1 1 55 55 LEU HB2 H 1 0.667 0.030 . 1 . . . . 35 . . . 6955 1 392 . 1 1 55 55 LEU HB3 H 1 0.743 0.030 . 1 . . . . 35 . . . 6955 1 393 . 1 1 55 55 LEU CG C 13 26.819 0.060 . 1 . . . . 35 . . . 6955 1 394 . 1 1 55 55 LEU HG H 1 1.285 0.030 . 1 . . . . 35 . . . 6955 1 395 . 1 1 55 55 LEU CD1 C 13 25.072 0.060 . 1 . . . . 35 . . . 6955 1 396 . 1 1 55 55 LEU HD11 H 1 -0.226 0.030 . 1 . . . . 35 . . . 6955 1 397 . 1 1 55 55 LEU HD12 H 1 -0.226 0.030 . 1 . . . . 35 . . . 6955 1 398 . 1 1 55 55 LEU HD13 H 1 -0.226 0.030 . 1 . . . . 35 . . . 6955 1 399 . 1 1 55 55 LEU CD2 C 13 23.047 0.060 . 1 . . . . 35 . . . 6955 1 400 . 1 1 55 55 LEU HD21 H 1 0.356 0.030 . 1 . . . . 35 . . . 6955 1 401 . 1 1 55 55 LEU HD22 H 1 0.356 0.030 . 1 . . . . 35 . . . 6955 1 402 . 1 1 55 55 LEU HD23 H 1 0.356 0.030 . 1 . . . . 35 . . . 6955 1 403 . 1 1 55 55 LEU C C 13 175.678 0.060 . 1 . . . . 35 . . . 6955 1 404 . 1 1 56 56 HIS N N 15 117.724 0.10 . 1 . . . . 36 . . . 6955 1 405 . 1 1 56 56 HIS H H 1 8.546 0.030 . 1 . . . . 36 . . . 6955 1 406 . 1 1 56 56 HIS CA C 13 55.195 0.060 . 1 . . . . 36 . . . 6955 1 407 . 1 1 56 56 HIS HA H 1 4.557 0.030 . 1 . . . . 36 . . . 6955 1 408 . 1 1 56 56 HIS CB C 13 31.023 0.060 . 1 . . . . 36 . . . 6955 1 409 . 1 1 56 56 HIS HB2 H 1 2.817 0.030 . 1 . . . . 36 . . . 6955 1 410 . 1 1 56 56 HIS HB3 H 1 3.012 0.030 . 1 . . . . 36 . . . 6955 1 411 . 1 1 56 56 HIS C C 13 173.738 0.060 . 1 . . . . 36 . . . 6955 1 412 . 1 1 57 57 LEU N N 15 123.525 0.10 . 1 . . . . 37 . . . 6955 1 413 . 1 1 57 57 LEU H H 1 9.318 0.030 . 1 . . . . 37 . . . 6955 1 414 . 1 1 57 57 LEU CA C 13 53.836 0.060 . 1 . . . . 37 . . . 6955 1 415 . 1 1 57 57 LEU HA H 1 4.563 0.030 . 1 . . . . 37 . . . 6955 1 416 . 1 1 57 57 LEU CB C 13 42.998 0.060 . 1 . . . . 37 . . . 6955 1 417 . 1 1 57 57 LEU HB2 H 1 1.143 0.030 . 1 . . . . 37 . . . 6955 1 418 . 1 1 57 57 LEU HB3 H 1 1.857 0.030 . 1 . . . . 37 . . . 6955 1 419 . 1 1 57 57 LEU HG H 1 1.430 0.030 . 1 . . . . 37 . . . 6955 1 420 . 1 1 57 57 LEU CD1 C 13 27.506 0.060 . 1 . . . . 37 . . . 6955 1 421 . 1 1 57 57 LEU HD11 H 1 0.766 0.030 . 1 . . . . 37 . . . 6955 1 422 . 1 1 57 57 LEU HD12 H 1 0.766 0.030 . 1 . . . . 37 . . . 6955 1 423 . 1 1 57 57 LEU HD13 H 1 0.766 0.030 . 1 . . . . 37 . . . 6955 1 424 . 1 1 57 57 LEU CD2 C 13 25.826 0.060 . 1 . . . . 37 . . . 6955 1 425 . 1 1 57 57 LEU HD21 H 1 0.862 0.030 . 1 . . . . 37 . . . 6955 1 426 . 1 1 57 57 LEU HD22 H 1 0.862 0.030 . 1 . . . . 37 . . . 6955 1 427 . 1 1 57 57 LEU HD23 H 1 0.862 0.030 . 1 . . . . 37 . . . 6955 1 428 . 1 1 57 57 LEU C C 13 174.779 0.060 . 1 . . . . 37 . . . 6955 1 429 . 1 1 58 58 LYS N N 15 125.121 0.10 . 1 . . . . 38 . . . 6955 1 430 . 1 1 58 58 LYS H H 1 7.995 0.030 . 1 . . . . 38 . . . 6955 1 431 . 1 1 58 58 LYS CA C 13 55.674 0.060 . 1 . . . . 38 . . . 6955 1 432 . 1 1 58 58 LYS HA H 1 5.201 0.030 . 1 . . . . 38 . . . 6955 1 433 . 1 1 58 58 LYS CB C 13 34.943 0.060 . 1 . . . . 38 . . . 6955 1 434 . 1 1 58 58 LYS HB2 H 1 2.174 0.030 . 1 . . . . 38 . . . 6955 1 435 . 1 1 58 58 LYS HB3 H 1 2.059 0.030 . 1 . . . . 38 . . . 6955 1 436 . 1 1 58 58 LYS CG C 13 25.018 0.060 . 1 . . . . 38 . . . 6955 1 437 . 1 1 58 58 LYS HG2 H 1 1.586 0.030 . 1 . . . . 38 . . . 6955 1 438 . 1 1 58 58 LYS HG3 H 1 1.730 0.030 . 1 . . . . 38 . . . 6955 1 439 . 1 1 58 58 LYS CD C 13 29.094 0.060 . 1 . . . . 38 . . . 6955 1 440 . 1 1 58 58 LYS HD2 H 1 1.898 0.030 . 1 . . . . 38 . . . 6955 1 441 . 1 1 58 58 LYS HD3 H 1 1.984 0.030 . 1 . . . . 38 . . . 6955 1 442 . 1 1 58 58 LYS CE C 13 42.594 0.060 . 1 . . . . 38 . . . 6955 1 443 . 1 1 58 58 LYS HE2 H 1 3.144 0.030 . 1 . . . . 38 . . . 6955 1 444 . 1 1 58 58 LYS HE3 H 1 3.206 0.030 . 1 . . . . 38 . . . 6955 1 445 . 1 1 58 58 LYS C C 13 177.635 0.060 . 1 . . . . 38 . . . 6955 1 446 . 1 1 59 59 GLN N N 15 127.475 0.10 . 1 . . . . 39 . . . 6955 1 447 . 1 1 59 59 GLN H H 1 9.112 0.030 . 1 . . . . 39 . . . 6955 1 448 . 1 1 59 59 GLN CA C 13 58.305 0.060 . 1 . . . . 39 . . . 6955 1 449 . 1 1 59 59 GLN HA H 1 3.903 0.030 . 1 . . . . 39 . . . 6955 1 450 . 1 1 59 59 GLN CB C 13 28.929 0.060 . 1 . . . . 39 . . . 6955 1 451 . 1 1 59 59 GLN HB2 H 1 2.141 0.030 . 1 . . . . 39 . . . 6955 1 452 . 1 1 59 59 GLN HB3 H 1 1.947 0.030 . 1 . . . . 39 . . . 6955 1 453 . 1 1 59 59 GLN CG C 13 33.418 0.060 . 1 . . . . 39 . . . 6955 1 454 . 1 1 59 59 GLN HG2 H 1 1.539 0.030 . 1 . . . . 39 . . . 6955 1 455 . 1 1 59 59 GLN HG3 H 1 2.501 0.030 . 1 . . . . 39 . . . 6955 1 456 . 1 1 59 59 GLN C C 13 176.265 0.060 . 1 . . . . 39 . . . 6955 1 457 . 1 1 60 60 GLY N N 15 115.392 0.10 . 1 . . . . 40 . . . 6955 1 458 . 1 1 60 60 GLY H H 1 8.784 0.030 . 1 . . . . 40 . . . 6955 1 459 . 1 1 60 60 GLY CA C 13 43.679 0.060 . 1 . . . . 40 . . . 6955 1 460 . 1 1 60 60 GLY HA2 H 1 3.678 0.030 . 1 . . . . 40 . . . 6955 1 461 . 1 1 60 60 GLY HA3 H 1 4.608 0.030 . 1 . . . . 40 . . . 6955 1 462 . 1 1 60 60 GLY C C 13 173.335 0.060 . 1 . . . . 40 . . . 6955 1 463 . 1 1 61 61 ILE N N 15 121.784 0.10 . 1 . . . . 41 . . . 6955 1 464 . 1 1 61 61 ILE H H 1 8.402 0.030 . 1 . . . . 41 . . . 6955 1 465 . 1 1 61 61 ILE CA C 13 61.470 0.060 . 1 . . . . 41 . . . 6955 1 466 . 1 1 61 61 ILE HA H 1 4.203 0.030 . 1 . . . . 41 . . . 6955 1 467 . 1 1 61 61 ILE CB C 13 38.495 0.060 . 1 . . . . 41 . . . 6955 1 468 . 1 1 61 61 ILE HB H 1 1.760 0.030 . 1 . . . . 41 . . . 6955 1 469 . 1 1 61 61 ILE CG1 C 13 27.641 0.060 . 1 . . . . 41 . . . 6955 1 470 . 1 1 61 61 ILE HG12 H 1 1.512 0.030 . 1 . . . . 41 . . . 6955 1 471 . 1 1 61 61 ILE HG13 H 1 1.218 0.030 . 1 . . . . 41 . . . 6955 1 472 . 1 1 61 61 ILE CD1 C 13 12.664 0.060 . 1 . . . . 41 . . . 6955 1 473 . 1 1 61 61 ILE HD11 H 1 0.868 0.030 . 1 . . . . 41 . . . 6955 1 474 . 1 1 61 61 ILE HD12 H 1 0.868 0.030 . 1 . . . . 41 . . . 6955 1 475 . 1 1 61 61 ILE HD13 H 1 0.868 0.030 . 1 . . . . 41 . . . 6955 1 476 . 1 1 61 61 ILE CG2 C 13 17.308 0.060 . 1 . . . . 41 . . . 6955 1 477 . 1 1 61 61 ILE HG21 H 1 0.876 0.030 . 1 . . . . 41 . . . 6955 1 478 . 1 1 61 61 ILE HG22 H 1 0.876 0.030 . 1 . . . . 41 . . . 6955 1 479 . 1 1 61 61 ILE HG23 H 1 0.876 0.030 . 1 . . . . 41 . . . 6955 1 480 . 1 1 61 61 ILE C C 13 176.528 0.060 . 1 . . . . 41 . . . 6955 1 481 . 1 1 62 62 SER N N 15 118.407 0.10 . 1 . . . . 42 . . . 6955 1 482 . 1 1 62 62 SER H H 1 8.451 0.030 . 1 . . . . 42 . . . 6955 1 483 . 1 1 62 62 SER CA C 13 57.417 0.060 . 1 . . . . 42 . . . 6955 1 484 . 1 1 62 62 SER HA H 1 5.237 0.030 . 1 . . . . 42 . . . 6955 1 485 . 1 1 62 62 SER CB C 13 65.364 0.060 . 1 . . . . 42 . . . 6955 1 486 . 1 1 62 62 SER HB2 H 1 3.835 0.030 . 1 . . . . 42 . . . 6955 1 487 . 1 1 62 62 SER HB3 H 1 3.718 0.030 . 1 . . . . 42 . . . 6955 1 488 . 1 1 63 63 ALA N N 15 121.543 0.10 . 1 . . . . 43 . . . 6955 1 489 . 1 1 63 63 ALA H H 1 8.047 0.030 . 1 . . . . 43 . . . 6955 1 490 . 1 1 63 63 ALA CA C 13 53.795 0.060 . 1 . . . . 43 . . . 6955 1 491 . 1 1 63 63 ALA HA H 1 4.405 0.030 . 1 . . . . 43 . . . 6955 1 492 . 1 1 63 63 ALA CB C 13 19.191 0.060 . 1 . . . . 43 . . . 6955 1 493 . 1 1 63 63 ALA HB1 H 1 1.526 0.030 . 1 . . . . 43 . . . 6955 1 494 . 1 1 63 63 ALA HB2 H 1 1.526 0.030 . 1 . . . . 43 . . . 6955 1 495 . 1 1 63 63 ALA HB3 H 1 1.526 0.030 . 1 . . . . 43 . . . 6955 1 496 . 1 1 63 63 ALA C C 13 177.634 0.060 . 1 . . . . 43 . . . 6955 1 497 . 1 1 64 64 SER N N 15 109.966 0.10 . 1 . . . . 44 . . . 6955 1 498 . 1 1 64 64 SER H H 1 7.727 0.030 . 1 . . . . 44 . . . 6955 1 499 . 1 1 64 64 SER CA C 13 58.311 0.060 . 1 . . . . 44 . . . 6955 1 500 . 1 1 64 64 SER HA H 1 4.498 0.030 . 1 . . . . 44 . . . 6955 1 501 . 1 1 64 64 SER CB C 13 64.010 0.060 . 1 . . . . 44 . . . 6955 1 502 . 1 1 64 64 SER HB3 H 1 3.915 0.030 . 1 . . . . 44 . . . 6955 1 503 . 1 1 65 65 GLY N N 15 110.488 0.10 . 1 . . . . 45 . . . 6955 1 504 . 1 1 65 65 GLY H H 1 8.374 0.030 . 1 . . . . 45 . . . 6955 1 505 . 1 1 65 65 GLY CA C 13 45.769 0.060 . 1 . . . . 45 . . . 6955 1 506 . 1 1 65 65 GLY HA2 H 1 4.105 0.030 . 1 . . . . 45 . . . 6955 1 507 . 1 1 65 65 GLY HA3 H 1 4.354 0.030 . 1 . . . . 45 . . . 6955 1 508 . 1 1 65 65 GLY C C 13 171.989 0.060 . 1 . . . . 45 . . . 6955 1 509 . 1 1 66 66 ALA N N 15 125.688 0.10 . 1 . . . . 46 . . . 6955 1 510 . 1 1 66 66 ALA H H 1 9.137 0.030 . 1 . . . . 46 . . . 6955 1 511 . 1 1 66 66 ALA CA C 13 51.336 0.060 . 1 . . . . 46 . . . 6955 1 512 . 1 1 66 66 ALA HA H 1 4.775 0.030 . 1 . . . . 46 . . . 6955 1 513 . 1 1 66 66 ALA CB C 13 21.683 0.060 . 1 . . . . 46 . . . 6955 1 514 . 1 1 66 66 ALA HB1 H 1 1.445 0.030 . 1 . . . . 46 . . . 6955 1 515 . 1 1 66 66 ALA HB2 H 1 1.445 0.030 . 1 . . . . 46 . . . 6955 1 516 . 1 1 66 66 ALA HB3 H 1 1.445 0.030 . 1 . . . . 46 . . . 6955 1 517 . 1 1 66 66 ALA C C 13 174.512 0.060 . 1 . . . . 46 . . . 6955 1 518 . 1 1 67 67 ARG N N 15 123.513 0.10 . 1 . . . . 47 . . . 6955 1 519 . 1 1 67 67 ARG H H 1 8.803 0.030 . 1 . . . . 47 . . . 6955 1 520 . 1 1 67 67 ARG CA C 13 55.124 0.060 . 1 . . . . 47 . . . 6955 1 521 . 1 1 67 67 ARG HA H 1 5.185 0.030 . 1 . . . . 47 . . . 6955 1 522 . 1 1 67 67 ARG CB C 13 34.435 0.060 . 1 . . . . 47 . . . 6955 1 523 . 1 1 67 67 ARG HB2 H 1 2.161 0.030 . 1 . . . . 47 . . . 6955 1 524 . 1 1 67 67 ARG HB3 H 1 2.380 0.030 . 1 . . . . 47 . . . 6955 1 525 . 1 1 67 67 ARG CG C 13 29.043 0.060 . 1 . . . . 47 . . . 6955 1 526 . 1 1 67 67 ARG HG2 H 1 1.263 0.030 . 1 . . . . 47 . . . 6955 1 527 . 1 1 67 67 ARG HG3 H 1 1.371 0.030 . 1 . . . . 47 . . . 6955 1 528 . 1 1 67 67 ARG CD C 13 43.153 0.060 . 1 . . . . 47 . . . 6955 1 529 . 1 1 67 67 ARG HD2 H 1 2.367 0.030 . 1 . . . . 47 . . . 6955 1 530 . 1 1 67 67 ARG HD3 H 1 2.660 0.030 . 1 . . . . 47 . . . 6955 1 531 . 1 1 67 67 ARG C C 13 173.907 0.060 . 1 . . . . 47 . . . 6955 1 532 . 1 1 68 68 TYR N N 15 123.957 0.10 . 1 . . . . 48 . . . 6955 1 533 . 1 1 68 68 TYR H H 1 9.380 0.030 . 1 . . . . 48 . . . 6955 1 534 . 1 1 68 68 TYR CA C 13 55.692 0.060 . 1 . . . . 48 . . . 6955 1 535 . 1 1 68 68 TYR HA H 1 5.180 0.030 . 1 . . . . 48 . . . 6955 1 536 . 1 1 68 68 TYR CB C 13 41.266 0.060 . 1 . . . . 48 . . . 6955 1 537 . 1 1 68 68 TYR HB2 H 1 2.762 0.030 . 1 . . . . 48 . . . 6955 1 538 . 1 1 68 68 TYR HB3 H 1 3.000 0.030 . 1 . . . . 48 . . . 6955 1 539 . 1 1 68 68 TYR HD1 H 1 6.650 0.030 . 3 . . . . 48 . . . 6955 1 540 . 1 1 68 68 TYR C C 13 175.410 0.060 . 1 . . . . 48 . . . 6955 1 541 . 1 1 69 69 THR N N 15 116.139 0.10 . 1 . . . . 49 . . . 6955 1 542 . 1 1 69 69 THR H H 1 9.571 0.030 . 1 . . . . 49 . . . 6955 1 543 . 1 1 69 69 THR CA C 13 59.653 0.060 . 1 . . . . 49 . . . 6955 1 544 . 1 1 69 69 THR HA H 1 5.774 0.030 . 1 . . . . 49 . . . 6955 1 545 . 1 1 69 69 THR CB C 13 71.684 0.060 . 1 . . . . 49 . . . 6955 1 546 . 1 1 69 69 THR HB H 1 4.252 0.030 . 1 . . . . 49 . . . 6955 1 547 . 1 1 69 69 THR CG2 C 13 18.299 0.060 . 1 . . . . 49 . . . 6955 1 548 . 1 1 69 69 THR HG21 H 1 1.231 0.030 . 1 . . . . 49 . . . 6955 1 549 . 1 1 69 69 THR HG22 H 1 1.231 0.030 . 1 . . . . 49 . . . 6955 1 550 . 1 1 69 69 THR HG23 H 1 1.231 0.030 . 1 . . . . 49 . . . 6955 1 551 . 1 1 69 69 THR C C 13 171.900 0.060 . 1 . . . . 49 . . . 6955 1 552 . 1 1 70 70 ASP N N 15 127.693 0.10 . 1 . . . . 50 . . . 6955 1 553 . 1 1 70 70 ASP H H 1 8.363 0.030 . 1 . . . . 50 . . . 6955 1 554 . 1 1 70 70 ASP CA C 13 53.491 0.060 . 1 . . . . 50 . . . 6955 1 555 . 1 1 70 70 ASP HA H 1 5.248 0.030 . 1 . . . . 50 . . . 6955 1 556 . 1 1 70 70 ASP CB C 13 41.649 0.060 . 1 . . . . 50 . . . 6955 1 557 . 1 1 70 70 ASP HB2 H 1 2.997 0.030 . 1 . . . . 50 . . . 6955 1 558 . 1 1 70 70 ASP HB3 H 1 3.413 0.030 . 1 . . . . 50 . . . 6955 1 559 . 1 1 70 70 ASP C C 13 177.443 0.060 . 1 . . . . 50 . . . 6955 1 560 . 1 1 71 71 GLY N N 15 111.113 0.10 . 1 . . . . 51 . . . 6955 1 561 . 1 1 71 71 GLY H H 1 9.054 0.030 . 1 . . . . 51 . . . 6955 1 562 . 1 1 71 71 GLY CA C 13 45.161 0.060 . 1 . . . . 51 . . . 6955 1 563 . 1 1 71 71 GLY HA2 H 1 4.611 0.030 . 1 . . . . 51 . . . 6955 1 564 . 1 1 71 71 GLY HA3 H 1 3.659 0.030 . 1 . . . . 51 . . . 6955 1 565 . 1 1 71 71 GLY C C 13 173.794 0.060 . 1 . . . . 51 . . . 6955 1 566 . 1 1 72 72 ILE N N 15 122.535 0.10 . 1 . . . . 52 . . . 6955 1 567 . 1 1 72 72 ILE H H 1 8.841 0.030 . 1 . . . . 52 . . . 6955 1 568 . 1 1 72 72 ILE CA C 13 63.990 0.060 . 1 . . . . 52 . . . 6955 1 569 . 1 1 72 72 ILE HA H 1 4.006 0.030 . 1 . . . . 52 . . . 6955 1 570 . 1 1 72 72 ILE CB C 13 40.139 0.060 . 1 . . . . 52 . . . 6955 1 571 . 1 1 72 72 ILE HB H 1 1.986 0.030 . 1 . . . . 52 . . . 6955 1 572 . 1 1 72 72 ILE CG1 C 13 27.615 0.060 . 1 . . . . 52 . . . 6955 1 573 . 1 1 72 72 ILE HG12 H 1 1.457 0.030 . 1 . . . . 52 . . . 6955 1 574 . 1 1 72 72 ILE HG13 H 1 1.760 0.030 . 1 . . . . 52 . . . 6955 1 575 . 1 1 72 72 ILE CD1 C 13 12.951 0.060 . 1 . . . . 52 . . . 6955 1 576 . 1 1 72 72 ILE HD11 H 1 0.897 0.030 . 1 . . . . 52 . . . 6955 1 577 . 1 1 72 72 ILE HD12 H 1 0.897 0.030 . 1 . . . . 52 . . . 6955 1 578 . 1 1 72 72 ILE HD13 H 1 0.897 0.030 . 1 . . . . 52 . . . 6955 1 579 . 1 1 72 72 ILE CG2 C 13 17.349 0.060 . 1 . . . . 52 . . . 6955 1 580 . 1 1 72 72 ILE HG21 H 1 0.429 0.030 . 1 . . . . 52 . . . 6955 1 581 . 1 1 72 72 ILE HG22 H 1 0.429 0.030 . 1 . . . . 52 . . . 6955 1 582 . 1 1 72 72 ILE HG23 H 1 0.429 0.030 . 1 . . . . 52 . . . 6955 1 583 . 1 1 72 72 ILE C C 13 176.254 0.060 . 1 . . . . 52 . . . 6955 1 584 . 1 1 73 73 TYR N N 15 123.393 0.10 . 1 . . . . 53 . . . 6955 1 585 . 1 1 73 73 TYR H H 1 10.371 0.030 . 1 . . . . 53 . . . 6955 1 586 . 1 1 73 73 TYR CA C 13 57.855 0.060 . 1 . . . . 53 . . . 6955 1 587 . 1 1 73 73 TYR HA H 1 5.377 0.030 . 1 . . . . 53 . . . 6955 1 588 . 1 1 73 73 TYR CB C 13 41.245 0.060 . 1 . . . . 53 . . . 6955 1 589 . 1 1 73 73 TYR HB2 H 1 2.788 0.030 . 1 . . . . 53 . . . 6955 1 590 . 1 1 73 73 TYR HB3 H 1 2.949 0.030 . 1 . . . . 53 . . . 6955 1 591 . 1 1 73 73 TYR C C 13 177.638 0.060 . 1 . . . . 53 . . . 6955 1 592 . 1 1 74 74 VAL N N 15 122.798 0.10 . 1 . . . . 54 . . . 6955 1 593 . 1 1 74 74 VAL H H 1 9.234 0.030 . 1 . . . . 54 . . . 6955 1 594 . 1 1 74 74 VAL CA C 13 60.876 0.060 . 1 . . . . 54 . . . 6955 1 595 . 1 1 74 74 VAL HA H 1 4.764 0.030 . 1 . . . . 54 . . . 6955 1 596 . 1 1 74 74 VAL CB C 13 36.401 0.060 . 1 . . . . 54 . . . 6955 1 597 . 1 1 74 74 VAL HB H 1 2.069 0.030 . 1 . . . . 54 . . . 6955 1 598 . 1 1 74 74 VAL HG21 H 1 0.890 0.030 . 1 . . . . 54 . . . 6955 1 599 . 1 1 74 74 VAL HG22 H 1 0.890 0.030 . 1 . . . . 54 . . . 6955 1 600 . 1 1 74 74 VAL HG23 H 1 0.890 0.030 . 1 . . . . 54 . . . 6955 1 601 . 1 1 74 74 VAL CG1 C 13 21.253 0.060 . 1 . . . . 54 . . . 6955 1 602 . 1 1 74 74 VAL HG11 H 1 0.944 0.030 . 1 . . . . 54 . . . 6955 1 603 . 1 1 74 74 VAL HG12 H 1 0.944 0.030 . 1 . . . . 54 . . . 6955 1 604 . 1 1 74 74 VAL HG13 H 1 0.944 0.030 . 1 . . . . 54 . . . 6955 1 605 . 1 1 74 74 VAL C C 13 174.454 0.060 . 1 . . . . 54 . . . 6955 1 606 . 1 1 75 75 PHE N N 15 128.715 0.10 . 1 . . . . 55 . . . 6955 1 607 . 1 1 75 75 PHE H H 1 9.424 0.030 . 1 . . . . 55 . . . 6955 1 608 . 1 1 75 75 PHE CA C 13 56.980 0.060 . 1 . . . . 55 . . . 6955 1 609 . 1 1 75 75 PHE HA H 1 5.340 0.030 . 1 . . . . 55 . . . 6955 1 610 . 1 1 75 75 PHE CB C 13 43.323 0.060 . 1 . . . . 55 . . . 6955 1 611 . 1 1 75 75 PHE HB2 H 1 3.120 0.030 . 1 . . . . 55 . . . 6955 1 612 . 1 1 75 75 PHE HB3 H 1 2.950 0.030 . 1 . . . . 55 . . . 6955 1 613 . 1 1 75 75 PHE HD1 H 1 7.230 0.030 . 3 . . . . 55 . . . 6955 1 614 . 1 1 75 75 PHE C C 13 172.838 0.060 . 1 . . . . 55 . . . 6955 1 615 . 1 1 76 76 TRP N N 15 131.074 0.10 . 1 . . . . 56 . . . 6955 1 616 . 1 1 76 76 TRP H H 1 8.846 0.030 . 1 . . . . 56 . . . 6955 1 617 . 1 1 76 76 TRP CA C 13 54.577 0.060 . 1 . . . . 56 . . . 6955 1 618 . 1 1 76 76 TRP HA H 1 5.904 0.030 . 1 . . . . 56 . . . 6955 1 619 . 1 1 76 76 TRP CB C 13 31.949 0.060 . 1 . . . . 56 . . . 6955 1 620 . 1 1 76 76 TRP HB2 H 1 2.877 0.030 . 1 . . . . 56 . . . 6955 1 621 . 1 1 76 76 TRP HB3 H 1 3.523 0.030 . 1 . . . . 56 . . . 6955 1 622 . 1 1 76 76 TRP NE1 N 15 128.180 0.10 . 1 . . . . 56 . . . 6955 1 623 . 1 1 76 76 TRP HE1 H 1 10.069 0.030 . 1 . . . . 56 . . . 6955 1 624 . 1 1 76 76 TRP C C 13 174.396 0.060 . 1 . . . . 56 . . . 6955 1 625 . 1 1 77 77 SER N N 15 121.320 0.10 . 1 . . . . 57 . . . 6955 1 626 . 1 1 77 77 SER H H 1 9.239 0.030 . 1 . . . . 57 . . . 6955 1 627 . 1 1 77 77 SER CA C 13 55.720 0.060 . 1 . . . . 57 . . . 6955 1 628 . 1 1 77 77 SER HA H 1 3.933 0.030 . 1 . . . . 57 . . . 6955 1 629 . 1 1 77 77 SER CB C 13 65.459 0.060 . 1 . . . . 57 . . . 6955 1 630 . 1 1 77 77 SER HB2 H 1 3.924 0.030 . 1 . . . . 57 . . . 6955 1 631 . 1 1 77 77 SER HB3 H 1 3.783 0.030 . 1 . . . . 57 . . . 6955 1 632 . 1 1 77 77 SER C C 13 173.106 0.060 . 1 . . . . 57 . . . 6955 1 633 . 1 1 78 78 LYS N N 15 125.563 0.10 . 1 . . . . 58 . . . 6955 1 634 . 1 1 78 78 LYS H H 1 8.239 0.030 . 1 . . . . 58 . . . 6955 1 635 . 1 1 78 78 LYS CA C 13 56.019 0.060 . 1 . . . . 58 . . . 6955 1 636 . 1 1 78 78 LYS HA H 1 4.444 0.030 . 1 . . . . 58 . . . 6955 1 637 . 1 1 78 78 LYS CB C 13 34.274 0.060 . 1 . . . . 58 . . . 6955 1 638 . 1 1 78 78 LYS HB2 H 1 1.557 0.030 . 1 . . . . 58 . . . 6955 1 639 . 1 1 78 78 LYS HB3 H 1 1.345 0.030 . 1 . . . . 58 . . . 6955 1 640 . 1 1 78 78 LYS CG C 13 29.456 0.060 . 1 . . . . 58 . . . 6955 1 641 . 1 1 78 78 LYS HG2 H 1 1.943 0.030 . 1 . . . . 58 . . . 6955 1 642 . 1 1 78 78 LYS HG3 H 1 1.375 0.030 . 1 . . . . 58 . . . 6955 1 643 . 1 1 78 78 LYS CD C 13 24.788 0.060 . 1 . . . . 58 . . . 6955 1 644 . 1 1 78 78 LYS HD2 H 1 1.026 0.030 . 1 . . . . 58 . . . 6955 1 645 . 1 1 78 78 LYS HD3 H 1 1.051 0.030 . 1 . . . . 58 . . . 6955 1 646 . 1 1 78 78 LYS HE2 H 1 2.420 0.030 . 1 . . . . 58 . . . 6955 1 647 . 1 1 78 78 LYS HE3 H 1 2.527 0.030 . 1 . . . . 58 . . . 6955 1 648 . 1 1 78 78 LYS C C 13 176.325 0.060 . 1 . . . . 58 . . . 6955 1 649 . 1 1 79 79 GLY N N 15 117.021 0.10 . 1 . . . . 59 . . . 6955 1 650 . 1 1 79 79 GLY H H 1 8.977 0.030 . 1 . . . . 59 . . . 6955 1 651 . 1 1 79 79 GLY CA C 13 47.537 0.060 . 1 . . . . 59 . . . 6955 1 652 . 1 1 79 79 GLY HA2 H 1 3.720 0.030 . 1 . . . . 59 . . . 6955 1 653 . 1 1 79 79 GLY HA3 H 1 4.056 0.030 . 1 . . . . 59 . . . 6955 1 654 . 1 1 79 79 GLY C C 13 175.039 0.060 . 1 . . . . 59 . . . 6955 1 655 . 1 1 80 80 ASP N N 15 128.421 0.10 . 1 . . . . 60 . . . 6955 1 656 . 1 1 80 80 ASP H H 1 9.065 0.030 . 1 . . . . 60 . . . 6955 1 657 . 1 1 80 80 ASP CA C 13 54.560 0.060 . 1 . . . . 60 . . . 6955 1 658 . 1 1 80 80 ASP HA H 1 4.771 0.030 . 1 . . . . 60 . . . 6955 1 659 . 1 1 80 80 ASP CB C 13 40.921 0.060 . 1 . . . . 60 . . . 6955 1 660 . 1 1 80 80 ASP HB2 H 1 2.800 0.030 . 1 . . . . 60 . . . 6955 1 661 . 1 1 80 80 ASP HB3 H 1 3.050 0.030 . 1 . . . . 60 . . . 6955 1 662 . 1 1 80 80 ASP C C 13 174.188 0.060 . 1 . . . . 60 . . . 6955 1 663 . 1 1 81 81 GLU N N 15 118.367 0.10 . 1 . . . . 61 . . . 6955 1 664 . 1 1 81 81 GLU H H 1 7.932 0.030 . 1 . . . . 61 . . . 6955 1 665 . 1 1 81 81 GLU CA C 13 54.720 0.060 . 1 . . . . 61 . . . 6955 1 666 . 1 1 81 81 GLU HA H 1 5.631 0.030 . 1 . . . . 61 . . . 6955 1 667 . 1 1 81 81 GLU CB C 13 33.841 0.060 . 1 . . . . 61 . . . 6955 1 668 . 1 1 81 81 GLU HB2 H 1 1.927 0.030 . 1 . . . . 61 . . . 6955 1 669 . 1 1 81 81 GLU HB3 H 1 2.082 0.030 . 1 . . . . 61 . . . 6955 1 670 . 1 1 81 81 GLU CG C 13 36.841 0.060 . 1 . . . . 61 . . . 6955 1 671 . 1 1 81 81 GLU HG2 H 1 1.814 0.030 . 1 . . . . 61 . . . 6955 1 672 . 1 1 81 81 GLU HG3 H 1 2.284 0.030 . 1 . . . . 61 . . . 6955 1 673 . 1 1 81 81 GLU C C 13 176.344 0.060 . 1 . . . . 61 . . . 6955 1 674 . 1 1 82 82 ALA N N 15 124.196 0.10 . 1 . . . . 62 . . . 6955 1 675 . 1 1 82 82 ALA H H 1 8.742 0.030 . 1 . . . . 62 . . . 6955 1 676 . 1 1 82 82 ALA CA C 13 51.582 0.060 . 1 . . . . 62 . . . 6955 1 677 . 1 1 82 82 ALA HA H 1 5.093 0.030 . 1 . . . . 62 . . . 6955 1 678 . 1 1 82 82 ALA CB C 13 22.950 0.060 . 1 . . . . 62 . . . 6955 1 679 . 1 1 82 82 ALA HB1 H 1 0.386 0.030 . 1 . . . . 62 . . . 6955 1 680 . 1 1 82 82 ALA HB2 H 1 0.386 0.030 . 1 . . . . 62 . . . 6955 1 681 . 1 1 82 82 ALA HB3 H 1 0.386 0.030 . 1 . . . . 62 . . . 6955 1 682 . 1 1 82 82 ALA C C 13 175.351 0.060 . 1 . . . . 62 . . . 6955 1 683 . 1 1 83 83 THR N N 15 115.071 0.10 . 1 . . . . 63 . . . 6955 1 684 . 1 1 83 83 THR H H 1 7.988 0.030 . 1 . . . . 63 . . . 6955 1 685 . 1 1 83 83 THR CA C 13 61.987 0.060 . 1 . . . . 63 . . . 6955 1 686 . 1 1 83 83 THR HA H 1 4.413 0.030 . 1 . . . . 63 . . . 6955 1 687 . 1 1 83 83 THR CB C 13 72.857 0.060 . 1 . . . . 63 . . . 6955 1 688 . 1 1 83 83 THR HB H 1 3.771 0.030 . 1 . . . . 63 . . . 6955 1 689 . 1 1 83 83 THR CG2 C 13 23.204 0.060 . 1 . . . . 63 . . . 6955 1 690 . 1 1 83 83 THR HG21 H 1 0.982 0.030 . 1 . . . . 63 . . . 6955 1 691 . 1 1 83 83 THR HG22 H 1 0.982 0.030 . 1 . . . . 63 . . . 6955 1 692 . 1 1 83 83 THR HG23 H 1 0.982 0.030 . 1 . . . . 63 . . . 6955 1 693 . 1 1 83 83 THR C C 13 172.577 0.060 . 1 . . . . 63 . . . 6955 1 694 . 1 1 84 84 VAL N N 15 122.910 0.10 . 1 . . . . 64 . . . 6955 1 695 . 1 1 84 84 VAL H H 1 8.374 0.030 . 1 . . . . 64 . . . 6955 1 696 . 1 1 84 84 VAL CA C 13 60.779 0.060 . 1 . . . . 64 . . . 6955 1 697 . 1 1 84 84 VAL HA H 1 5.489 0.030 . 1 . . . . 64 . . . 6955 1 698 . 1 1 84 84 VAL CB C 13 33.538 0.060 . 1 . . . . 64 . . . 6955 1 699 . 1 1 84 84 VAL HB H 1 1.845 0.030 . 1 . . . . 64 . . . 6955 1 700 . 1 1 84 84 VAL CG2 C 13 20.804 0.060 . 1 . . . . 64 . . . 6955 1 701 . 1 1 84 84 VAL HG21 H 1 0.958 0.030 . 1 . . . . 64 . . . 6955 1 702 . 1 1 84 84 VAL HG22 H 1 0.958 0.030 . 1 . . . . 64 . . . 6955 1 703 . 1 1 84 84 VAL HG23 H 1 0.958 0.030 . 1 . . . . 64 . . . 6955 1 704 . 1 1 84 84 VAL CG1 C 13 22.333 0.060 . 1 . . . . 64 . . . 6955 1 705 . 1 1 84 84 VAL HG11 H 1 0.789 0.030 . 1 . . . . 64 . . . 6955 1 706 . 1 1 84 84 VAL HG12 H 1 0.789 0.030 . 1 . . . . 64 . . . 6955 1 707 . 1 1 84 84 VAL HG13 H 1 0.789 0.030 . 1 . . . . 64 . . . 6955 1 708 . 1 1 84 84 VAL C C 13 175.039 0.060 . 1 . . . . 64 . . . 6955 1 709 . 1 1 85 85 TYR N N 15 126.846 0.10 . 1 . . . . 65 . . . 6955 1 710 . 1 1 85 85 TYR H H 1 9.868 0.030 . 1 . . . . 65 . . . 6955 1 711 . 1 1 85 85 TYR CA C 13 56.254 0.060 . 1 . . . . 65 . . . 6955 1 712 . 1 1 85 85 TYR HA H 1 4.846 0.030 . 1 . . . . 65 . . . 6955 1 713 . 1 1 85 85 TYR CB C 13 41.778 0.060 . 1 . . . . 65 . . . 6955 1 714 . 1 1 85 85 TYR HB3 H 1 2.961 0.030 . 1 . . . . 65 . . . 6955 1 715 . 1 1 85 85 TYR C C 13 175.665 0.060 . 1 . . . . 65 . . . 6955 1 716 . 1 1 86 86 LYS N N 15 121.680 0.10 . 1 . . . . 66 . . . 6955 1 717 . 1 1 86 86 LYS H H 1 9.269 0.030 . 1 . . . . 66 . . . 6955 1 718 . 1 1 86 86 LYS CA C 13 56.457 0.060 . 1 . . . . 66 . . . 6955 1 719 . 1 1 86 86 LYS HA H 1 4.290 0.030 . 1 . . . . 66 . . . 6955 1 720 . 1 1 86 86 LYS CB C 13 35.770 0.060 . 1 . . . . 66 . . . 6955 1 721 . 1 1 86 86 LYS HB2 H 1 1.822 0.030 . 1 . . . . 66 . . . 6955 1 722 . 1 1 86 86 LYS HB3 H 1 1.900 0.030 . 1 . . . . 66 . . . 6955 1 723 . 1 1 86 86 LYS CG C 13 26.161 0.060 . 1 . . . . 66 . . . 6955 1 724 . 1 1 86 86 LYS HG2 H 1 0.352 0.030 . 1 . . . . 66 . . . 6955 1 725 . 1 1 86 86 LYS HG3 H 1 0.761 0.030 . 1 . . . . 66 . . . 6955 1 726 . 1 1 86 86 LYS HD2 H 1 1.816 0.030 . 1 . . . . 66 . . . 6955 1 727 . 1 1 86 86 LYS HD3 H 1 1.561 0.030 . 1 . . . . 66 . . . 6955 1 728 . 1 1 86 86 LYS CE C 13 42.204 0.060 . 1 . . . . 66 . . . 6955 1 729 . 1 1 86 86 LYS HE2 H 1 2.775 0.030 . 1 . . . . 66 . . . 6955 1 730 . 1 1 86 86 LYS HE3 H 1 2.860 0.030 . 1 . . . . 66 . . . 6955 1 731 . 1 1 86 86 LYS C C 13 175.988 0.060 . 1 . . . . 66 . . . 6955 1 732 . 1 1 87 87 ARG N N 15 126.704 0.10 . 1 . . . . 67 . . . 6955 1 733 . 1 1 87 87 ARG H H 1 9.055 0.030 . 1 . . . . 67 . . . 6955 1 734 . 1 1 87 87 ARG CA C 13 58.827 0.060 . 1 . . . . 67 . . . 6955 1 735 . 1 1 87 87 ARG HA H 1 3.822 0.030 . 1 . . . . 67 . . . 6955 1 736 . 1 1 87 87 ARG CB C 13 27.355 0.060 . 1 . . . . 67 . . . 6955 1 737 . 1 1 87 87 ARG HB2 H 1 1.993 0.030 . 1 . . . . 67 . . . 6955 1 738 . 1 1 87 87 ARG HB3 H 1 2.100 0.030 . 1 . . . . 67 . . . 6955 1 739 . 1 1 87 87 ARG CG C 13 29.351 0.060 . 1 . . . . 67 . . . 6955 1 740 . 1 1 87 87 ARG HG2 H 1 1.631 0.030 . 1 . . . . 67 . . . 6955 1 741 . 1 1 87 87 ARG HG3 H 1 1.544 0.030 . 1 . . . . 67 . . . 6955 1 742 . 1 1 87 87 ARG CD C 13 43.000 0.060 . 1 . . . . 67 . . . 6955 1 743 . 1 1 87 87 ARG HD2 H 1 3.276 0.030 . 1 . . . . 67 . . . 6955 1 744 . 1 1 87 87 ARG HD3 H 1 3.365 0.030 . 1 . . . . 67 . . . 6955 1 745 . 1 1 88 88 ASP N N 15 117.282 0.10 . 1 . . . . 68 . . . 6955 1 746 . 1 1 88 88 ASP H H 1 8.734 0.030 . 1 . . . . 68 . . . 6955 1 747 . 1 1 88 88 ASP CA C 13 54.457 0.060 . 1 . . . . 68 . . . 6955 1 748 . 1 1 88 88 ASP HA H 1 4.477 0.030 . 1 . . . . 68 . . . 6955 1 749 . 1 1 88 88 ASP CB C 13 40.353 0.060 . 1 . . . . 68 . . . 6955 1 750 . 1 1 88 88 ASP HB2 H 1 2.761 0.030 . 1 . . . . 68 . . . 6955 1 751 . 1 1 88 88 ASP HB3 H 1 2.955 0.030 . 1 . . . . 68 . . . 6955 1 752 . 1 1 88 88 ASP C C 13 175.324 0.060 . 1 . . . . 68 . . . 6955 1 753 . 1 1 89 89 ARG N N 15 120.739 0.10 . 1 . . . . 69 . . . 6955 1 754 . 1 1 89 89 ARG H H 1 7.995 0.030 . 1 . . . . 69 . . . 6955 1 755 . 1 1 89 89 ARG CA C 13 54.745 0.060 . 1 . . . . 69 . . . 6955 1 756 . 1 1 89 89 ARG HA H 1 4.709 0.030 . 1 . . . . 69 . . . 6955 1 757 . 1 1 89 89 ARG CB C 13 32.509 0.060 . 1 . . . . 69 . . . 6955 1 758 . 1 1 89 89 ARG HB2 H 1 1.981 0.030 . 1 . . . . 69 . . . 6955 1 759 . 1 1 89 89 ARG HB3 H 1 1.875 0.030 . 1 . . . . 69 . . . 6955 1 760 . 1 1 89 89 ARG CG C 13 27.099 0.060 . 1 . . . . 69 . . . 6955 1 761 . 1 1 89 89 ARG HG2 H 1 2.023 0.030 . 1 . . . . 69 . . . 6955 1 762 . 1 1 89 89 ARG HG3 H 1 1.604 0.030 . 1 . . . . 69 . . . 6955 1 763 . 1 1 89 89 ARG CD C 13 43.608 0.060 . 1 . . . . 69 . . . 6955 1 764 . 1 1 89 89 ARG HD2 H 1 3.235 0.030 . 1 . . . . 69 . . . 6955 1 765 . 1 1 89 89 ARG HD3 H 1 3.143 0.030 . 1 . . . . 69 . . . 6955 1 766 . 1 1 89 89 ARG C C 13 175.501 0.060 . 1 . . . . 69 . . . 6955 1 767 . 1 1 90 90 ILE N N 15 125.643 0.10 . 1 . . . . 70 . . . 6955 1 768 . 1 1 90 90 ILE H H 1 8.830 0.030 . 1 . . . . 70 . . . 6955 1 769 . 1 1 90 90 ILE CA C 13 63.766 0.060 . 1 . . . . 70 . . . 6955 1 770 . 1 1 90 90 ILE HA H 1 3.632 0.030 . 1 . . . . 70 . . . 6955 1 771 . 1 1 90 90 ILE CB C 13 38.010 0.060 . 1 . . . . 70 . . . 6955 1 772 . 1 1 90 90 ILE HB H 1 1.537 0.030 . 1 . . . . 70 . . . 6955 1 773 . 1 1 90 90 ILE CG1 C 13 29.516 0.060 . 1 . . . . 70 . . . 6955 1 774 . 1 1 90 90 ILE HG12 H 1 1.345 0.030 . 1 . . . . 70 . . . 6955 1 775 . 1 1 90 90 ILE HG13 H 1 0.137 0.030 . 1 . . . . 70 . . . 6955 1 776 . 1 1 90 90 ILE CD1 C 13 13.476 0.060 . 1 . . . . 70 . . . 6955 1 777 . 1 1 90 90 ILE HD11 H 1 0.599 0.030 . 1 . . . . 70 . . . 6955 1 778 . 1 1 90 90 ILE HD12 H 1 0.599 0.030 . 1 . . . . 70 . . . 6955 1 779 . 1 1 90 90 ILE HD13 H 1 0.599 0.030 . 1 . . . . 70 . . . 6955 1 780 . 1 1 90 90 ILE CG2 C 13 17.309 0.060 . 1 . . . . 70 . . . 6955 1 781 . 1 1 90 90 ILE HG21 H 1 0.579 0.030 . 1 . . . . 70 . . . 6955 1 782 . 1 1 90 90 ILE HG22 H 1 0.579 0.030 . 1 . . . . 70 . . . 6955 1 783 . 1 1 90 90 ILE HG23 H 1 0.579 0.030 . 1 . . . . 70 . . . 6955 1 784 . 1 1 90 90 ILE C C 13 177.019 0.060 . 1 . . . . 70 . . . 6955 1 785 . 1 1 91 91 VAL N N 15 120.920 0.10 . 1 . . . . 71 . . . 6955 1 786 . 1 1 91 91 VAL H H 1 8.881 0.030 . 1 . . . . 71 . . . 6955 1 787 . 1 1 91 91 VAL CA C 13 61.488 0.060 . 1 . . . . 71 . . . 6955 1 788 . 1 1 91 91 VAL HA H 1 4.630 0.030 . 1 . . . . 71 . . . 6955 1 789 . 1 1 91 91 VAL CB C 13 32.744 0.060 . 1 . . . . 71 . . . 6955 1 790 . 1 1 91 91 VAL HB H 1 2.427 0.030 . 1 . . . . 71 . . . 6955 1 791 . 1 1 91 91 VAL CG2 C 13 18.826 0.060 . 1 . . . . 71 . . . 6955 1 792 . 1 1 91 91 VAL HG21 H 1 0.406 0.030 . 1 . . . . 71 . . . 6955 1 793 . 1 1 91 91 VAL HG22 H 1 0.406 0.030 . 1 . . . . 71 . . . 6955 1 794 . 1 1 91 91 VAL HG23 H 1 0.406 0.030 . 1 . . . . 71 . . . 6955 1 795 . 1 1 91 91 VAL CG1 C 13 23.197 0.060 . 1 . . . . 71 . . . 6955 1 796 . 1 1 91 91 VAL HG11 H 1 0.957 0.030 . 1 . . . . 71 . . . 6955 1 797 . 1 1 91 91 VAL HG12 H 1 0.957 0.030 . 1 . . . . 71 . . . 6955 1 798 . 1 1 91 91 VAL HG13 H 1 0.957 0.030 . 1 . . . . 71 . . . 6955 1 799 . 1 1 91 91 VAL C C 13 175.768 0.060 . 1 . . . . 71 . . . 6955 1 800 . 1 1 92 92 LEU N N 15 121.905 0.10 . 1 . . . . 72 . . . 6955 1 801 . 1 1 92 92 LEU H H 1 7.384 0.030 . 1 . . . . 72 . . . 6955 1 802 . 1 1 92 92 LEU CA C 13 54.776 0.060 . 1 . . . . 72 . . . 6955 1 803 . 1 1 92 92 LEU HA H 1 4.887 0.030 . 1 . . . . 72 . . . 6955 1 804 . 1 1 92 92 LEU CB C 13 44.359 0.060 . 1 . . . . 72 . . . 6955 1 805 . 1 1 92 92 LEU HB2 H 1 1.559 0.030 . 1 . . . . 72 . . . 6955 1 806 . 1 1 92 92 LEU HB3 H 1 1.337 0.030 . 1 . . . . 72 . . . 6955 1 807 . 1 1 92 92 LEU HG H 1 0.872 0.030 . 1 . . . . 72 . . . 6955 1 808 . 1 1 92 92 LEU CD1 C 13 26.729 0.060 . 1 . . . . 72 . . . 6955 1 809 . 1 1 92 92 LEU HD11 H 1 0.862 0.030 . 1 . . . . 72 . . . 6955 1 810 . 1 1 92 92 LEU HD12 H 1 0.862 0.030 . 1 . . . . 72 . . . 6955 1 811 . 1 1 92 92 LEU HD13 H 1 0.862 0.030 . 1 . . . . 72 . . . 6955 1 812 . 1 1 92 92 LEU CD2 C 13 25.537 0.060 . 1 . . . . 72 . . . 6955 1 813 . 1 1 92 92 LEU HD21 H 1 0.912 0.030 . 1 . . . . 72 . . . 6955 1 814 . 1 1 92 92 LEU HD22 H 1 0.912 0.030 . 1 . . . . 72 . . . 6955 1 815 . 1 1 92 92 LEU HD23 H 1 0.912 0.030 . 1 . . . . 72 . . . 6955 1 816 . 1 1 92 92 LEU C C 13 174.010 0.060 . 1 . . . . 72 . . . 6955 1 817 . 1 1 93 93 ASN N N 15 122.698 0.10 . 1 . . . . 73 . . . 6955 1 818 . 1 1 93 93 ASN H H 1 10.241 0.030 . 1 . . . . 73 . . . 6955 1 819 . 1 1 93 93 ASN CA C 13 51.568 0.060 . 1 . . . . 73 . . . 6955 1 820 . 1 1 93 93 ASN HA H 1 4.944 0.030 . 1 . . . . 73 . . . 6955 1 821 . 1 1 93 93 ASN CB C 13 43.481 0.060 . 1 . . . . 73 . . . 6955 1 822 . 1 1 93 93 ASN HB2 H 1 2.679 0.030 . 1 . . . . 73 . . . 6955 1 823 . 1 1 93 93 ASN HB3 H 1 2.816 0.030 . 1 . . . . 73 . . . 6955 1 824 . 1 1 93 93 ASN C C 13 175.122 0.060 . 1 . . . . 73 . . . 6955 1 825 . 1 1 94 94 ASN N N 15 117.865 0.10 . 1 . . . . 74 . . . 6955 1 826 . 1 1 94 94 ASN H H 1 9.179 0.030 . 1 . . . . 74 . . . 6955 1 827 . 1 1 94 94 ASN CA C 13 53.834 0.060 . 1 . . . . 74 . . . 6955 1 828 . 1 1 94 94 ASN HA H 1 4.429 0.030 . 1 . . . . 74 . . . 6955 1 829 . 1 1 94 94 ASN CB C 13 36.871 0.060 . 1 . . . . 74 . . . 6955 1 830 . 1 1 94 94 ASN HB2 H 1 2.755 0.030 . 1 . . . . 74 . . . 6955 1 831 . 1 1 94 94 ASN HB3 H 1 2.970 0.030 . 1 . . . . 74 . . . 6955 1 832 . 1 1 94 94 ASN C C 13 174.974 0.060 . 1 . . . . 74 . . . 6955 1 833 . 1 1 95 95 CYS N N 15 114.508 0.10 . 1 . . . . 75 . . . 6955 1 834 . 1 1 95 95 CYS H H 1 7.742 0.030 . 1 . . . . 75 . . . 6955 1 835 . 1 1 95 95 CYS CA C 13 56.774 0.060 . 1 . . . . 75 . . . 6955 1 836 . 1 1 95 95 CYS HA H 1 5.319 0.030 . 1 . . . . 75 . . . 6955 1 837 . 1 1 95 95 CYS CB C 13 42.663 0.060 . 1 . . . . 75 . . . 6955 1 838 . 1 1 95 95 CYS HB2 H 1 2.806 0.030 . 1 . . . . 75 . . . 6955 1 839 . 1 1 95 95 CYS HB3 H 1 3.002 0.030 . 1 . . . . 75 . . . 6955 1 840 . 1 1 95 95 CYS C C 13 174.968 0.060 . 1 . . . . 75 . . . 6955 1 841 . 1 1 96 96 GLN N N 15 124.156 0.10 . 1 . . . . 76 . . . 6955 1 842 . 1 1 96 96 GLN H H 1 8.782 0.030 . 1 . . . . 76 . . . 6955 1 843 . 1 1 96 96 GLN CA C 13 54.282 0.060 . 1 . . . . 76 . . . 6955 1 844 . 1 1 96 96 GLN HA H 1 5.146 0.030 . 1 . . . . 76 . . . 6955 1 845 . 1 1 96 96 GLN CB C 13 30.870 0.060 . 1 . . . . 76 . . . 6955 1 846 . 1 1 96 96 GLN HB2 H 1 2.043 0.030 . 1 . . . . 76 . . . 6955 1 847 . 1 1 96 96 GLN HB3 H 1 2.181 0.030 . 1 . . . . 76 . . . 6955 1 848 . 1 1 96 96 GLN CG C 13 33.355 0.060 . 1 . . . . 76 . . . 6955 1 849 . 1 1 96 96 GLN HG2 H 1 2.324 0.030 . 1 . . . . 76 . . . 6955 1 850 . 1 1 96 96 GLN HG3 H 1 2.480 0.030 . 1 . . . . 76 . . . 6955 1 851 . 1 1 96 96 GLN C C 13 176.972 0.060 . 1 . . . . 76 . . . 6955 1 852 . 1 1 97 97 LEU N N 15 131.512 0.10 . 1 . . . . 77 . . . 6955 1 853 . 1 1 97 97 LEU H H 1 9.199 0.030 . 1 . . . . 77 . . . 6955 1 854 . 1 1 97 97 LEU CA C 13 55.995 0.060 . 1 . . . . 77 . . . 6955 1 855 . 1 1 97 97 LEU HA H 1 3.786 0.030 . 1 . . . . 77 . . . 6955 1 856 . 1 1 97 97 LEU CB C 13 42.796 0.060 . 1 . . . . 77 . . . 6955 1 857 . 1 1 97 97 LEU HB2 H 1 1.282 0.030 . 1 . . . . 77 . . . 6955 1 858 . 1 1 97 97 LEU HB3 H 1 1.665 0.030 . 1 . . . . 77 . . . 6955 1 859 . 1 1 97 97 LEU HG H 1 1.280 0.030 . 1 . . . . 77 . . . 6955 1 860 . 1 1 97 97 LEU CD1 C 13 25.879 0.060 . 1 . . . . 77 . . . 6955 1 861 . 1 1 97 97 LEU HD11 H 1 0.718 0.030 . 1 . . . . 77 . . . 6955 1 862 . 1 1 97 97 LEU HD12 H 1 0.718 0.030 . 1 . . . . 77 . . . 6955 1 863 . 1 1 97 97 LEU HD13 H 1 0.718 0.030 . 1 . . . . 77 . . . 6955 1 864 . 1 1 97 97 LEU CD2 C 13 23.614 0.060 . 1 . . . . 77 . . . 6955 1 865 . 1 1 97 97 LEU HD21 H 1 0.456 0.030 . 1 . . . . 77 . . . 6955 1 866 . 1 1 97 97 LEU HD22 H 1 0.456 0.030 . 1 . . . . 77 . . . 6955 1 867 . 1 1 97 97 LEU HD23 H 1 0.456 0.030 . 1 . . . . 77 . . . 6955 1 868 . 1 1 97 97 LEU C C 13 176.582 0.060 . 1 . . . . 77 . . . 6955 1 869 . 1 1 98 98 GLN N N 15 124.930 0.10 . 1 . . . . 78 . . . 6955 1 870 . 1 1 98 98 GLN H H 1 9.280 0.030 . 1 . . . . 78 . . . 6955 1 871 . 1 1 98 98 GLN CA C 13 54.593 0.060 . 1 . . . . 78 . . . 6955 1 872 . 1 1 98 98 GLN HA H 1 4.374 0.030 . 1 . . . . 78 . . . 6955 1 873 . 1 1 98 98 GLN CB C 13 30.127 0.060 . 1 . . . . 78 . . . 6955 1 874 . 1 1 98 98 GLN HB2 H 1 1.952 0.030 . 1 . . . . 78 . . . 6955 1 875 . 1 1 98 98 GLN HB3 H 1 1.881 0.030 . 1 . . . . 78 . . . 6955 1 876 . 1 1 98 98 GLN CG C 13 31.301 0.060 . 1 . . . . 78 . . . 6955 1 877 . 1 1 98 98 GLN HG2 H 1 2.310 0.030 . 1 . . . . 78 . . . 6955 1 878 . 1 1 98 98 GLN HG3 H 1 2.234 0.030 . 1 . . . . 78 . . . 6955 1 879 . 1 1 99 99 ASN N N 15 119.330 0.10 . 1 . . . . 79 . . . 6955 1 880 . 1 1 99 99 ASN H H 1 8.495 0.030 . 1 . . . . 79 . . . 6955 1 881 . 1 1 99 99 ASN CA C 13 53.710 0.060 . 1 . . . . 79 . . . 6955 1 882 . 1 1 99 99 ASN HA H 1 4.976 0.030 . 1 . . . . 79 . . . 6955 1 883 . 1 1 99 99 ASN CB C 13 43.970 0.060 . 1 . . . . 79 . . . 6955 1 884 . 1 1 99 99 ASN HB2 H 1 2.718 0.030 . 1 . . . . 79 . . . 6955 1 885 . 1 1 100 100 PRO CA C 13 63.577 0.060 . 1 . . . . 80 . . . 6955 1 886 . 1 1 100 100 PRO HA H 1 4.408 0.030 . 1 . . . . 80 . . . 6955 1 887 . 1 1 100 100 PRO CB C 13 32.316 0.060 . 1 . . . . 80 . . . 6955 1 888 . 1 1 100 100 PRO HB2 H 1 2.204 0.030 . 1 . . . . 80 . . . 6955 1 889 . 1 1 100 100 PRO HB3 H 1 1.929 0.030 . 1 . . . . 80 . . . 6955 1 890 . 1 1 100 100 PRO CG C 13 27.446 0.060 . 1 . . . . 80 . . . 6955 1 891 . 1 1 100 100 PRO HG2 H 1 1.928 0.030 . 1 . . . . 80 . . . 6955 1 892 . 1 1 100 100 PRO HG3 H 1 2.094 0.030 . 1 . . . . 80 . . . 6955 1 893 . 1 1 100 100 PRO CD C 13 50.830 0.060 . 1 . . . . 80 . . . 6955 1 894 . 1 1 100 100 PRO HD2 H 1 3.649 0.030 . 1 . . . . 80 . . . 6955 1 895 . 1 1 100 100 PRO HD3 H 1 3.568 0.030 . 1 . . . . 80 . . . 6955 1 896 . 1 1 100 100 PRO C C 13 176.853 0.060 . 1 . . . . 80 . . . 6955 1 897 . 1 1 101 101 GLN N N 15 120.699 0.10 . 1 . . . . 81 . . . 6955 1 898 . 1 1 101 101 GLN H H 1 8.502 0.030 . 1 . . . . 81 . . . 6955 1 899 . 1 1 101 101 GLN CA C 13 55.851 0.060 . 1 . . . . 81 . . . 6955 1 900 . 1 1 101 101 GLN HA H 1 4.328 0.030 . 1 . . . . 81 . . . 6955 1 901 . 1 1 101 101 GLN CB C 13 29.510 0.060 . 1 . . . . 81 . . . 6955 1 902 . 1 1 101 101 GLN HB2 H 1 2.132 0.030 . 1 . . . . 81 . . . 6955 1 903 . 1 1 101 101 GLN HB3 H 1 1.998 0.030 . 1 . . . . 81 . . . 6955 1 904 . 1 1 101 101 GLN CG C 13 33.928 0.060 . 1 . . . . 81 . . . 6955 1 905 . 1 1 101 101 GLN HG2 H 1 2.357 0.030 . 1 . . . . 81 . . . 6955 1 906 . 1 1 101 101 GLN HG3 H 1 2.404 0.030 . 1 . . . . 81 . . . 6955 1 907 . 1 1 101 101 GLN C C 13 175.073 0.060 . 1 . . . . 81 . . . 6955 1 908 . 1 1 102 102 ARG N N 15 127.774 0.10 . 1 . . . . 82 . . . 6955 1 909 . 1 1 102 102 ARG H H 1 7.945 0.030 . 1 . . . . 82 . . . 6955 1 910 . 1 1 102 102 ARG CA C 13 57.386 0.060 . 1 . . . . 82 . . . 6955 1 911 . 1 1 102 102 ARG HA H 1 4.184 0.030 . 1 . . . . 82 . . . 6955 1 912 . 1 1 102 102 ARG CB C 13 31.532 0.060 . 1 . . . . 82 . . . 6955 1 913 . 1 1 102 102 ARG HB2 H 1 1.745 0.030 . 1 . . . . 82 . . . 6955 1 914 . 1 1 102 102 ARG HB3 H 1 1.861 0.030 . 1 . . . . 82 . . . 6955 1 915 . 1 1 102 102 ARG CG C 13 28.377 0.060 . 1 . . . . 82 . . . 6955 1 916 . 1 1 102 102 ARG HG2 H 1 1.554 0.030 . 1 . . . . 82 . . . 6955 1 917 . 1 1 102 102 ARG HG3 H 1 1.650 0.030 . 1 . . . . 82 . . . 6955 1 918 . 1 1 102 102 ARG CD C 13 42.002 0.060 . 1 . . . . 82 . . . 6955 1 919 . 1 1 102 102 ARG HD2 H 1 3.110 0.030 . 1 . . . . 82 . . . 6955 1 920 . 1 1 102 102 ARG HD3 H 1 3.200 0.030 . 1 . . . . 82 . . . 6955 1 stop_ save_