data_19550 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19550 _Entry.Title ; Domain 1 of E. coli ribosomal protein S1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-11 _Entry.Accession_date 2013-10-11 _Entry.Last_release_date 2014-04-14 _Entry.Original_release_date 2014-04-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pierre GIRAUD . . . 19550 2 Jean-Bernard CRECHET . . . 19550 3 Francois BONTEMS . . . 19550 4 Marc UZAN . . . 19550 5 Christina SIZUN . . . 19550 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19550 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Ecole Polytechnique' . 19550 2 . 'Institut Jacques Monod' . 19550 3 . 'Institut de Chimie des Substances Naturelles, CNRS' . 19550 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'gram-negative bacteria' . 19550 'ribosomal protein' . 19550 'ribosome binding' . 19550 S1 . 19550 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19550 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 389 19550 '15N chemical shifts' 95 19550 '1H chemical shifts' 659 19550 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-04-14 2013-10-11 original author . 19550 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19554 'Domain 2 of E. coli ribosomal protein S1' 19550 PDB 2KHI 'NMR structure of the domain 4 of the E. coli ribosomal protein S1' 19550 PDB 2KHJ 'NMR structure of the domain 6 of the E. coli ribosomal protein S1' 19550 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19550 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24682851 _Citation.Full_citation . _Citation.Title 'Resonance assignment of the ribosome binding domain of E. coli ribosomal protein S1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pierre Giraud . . . 19550 1 2 Jean-Bernard Crechet . . . 19550 1 3 Marc Uzan . . . 19550 1 4 Francois Bontems . . . 19550 1 5 Christina Sizun . . . 19550 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19550 _Assembly.ID 1 _Assembly.Name S1F1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 10408.6085 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 S1F1 1 $S1F1 A . yes native yes no . . . 19550 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S1F1 _Entity.Sf_category entity _Entity.Sf_framecode S1F1 _Entity.Entry_ID 19550 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S1F1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GIDPFTESLKEIETRPGSIV RGVVVAIDKDVVLVDAGLKS ESAIPAEQFKNAQGELEIQV GDEVDVALDAVEDGFGETLL SREKAKRHEAWITLEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The six first residues are generated by TOPO cloning and TEV cleavage.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Domain 1 containing fragment of E. coli S1 protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10408.6085 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProt P0AG67 . P0AG67 . . . "30S ribosomal protein S1" . . . . . . . . . . 19550 1 2 no BMRB 19554 . S1F12 . . . . . 95.83 182 98.91 98.91 8.40e-54 . . . . 19550 1 3 no PDB 2MFI . "Domain 1 Of E. Coli Ribosomal Protein S1" . . . . . 100.00 96 100.00 100.00 8.90e-59 . . . . 19550 1 4 no PDB 2MFL . "Domain 2 Of E. Coli Ribosomal Protein S1" . . . . . 95.83 182 98.91 98.91 8.40e-54 . . . . 19550 1 5 no PDB 4Q7J . "Complex Structure Of Viral Rna Polymerase" . . . . . 95.83 281 98.91 98.91 3.21e-52 . . . . 19550 1 6 no PDB 4R71 . "Structure Of The Qbeta Holoenzyme Complex In The P1211 Crystal Form" . . . . . 95.83 171 98.91 98.91 1.45e-53 . . . . 19550 1 7 no PDB 4TOI . "Crystal Structure Of E.coli Ribosomal Protein S2 In Complex With N- Terminal Domain Of S1" . . . . . 79.17 326 98.68 98.68 2.61e-39 . . . . 19550 1 8 no DBJ BAA35655 . "30S ribosomal subunit protein S1 [Escherichia coli str. K12 substr. W3110]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 9 no DBJ BAB34417 . "30S ribosomal subunit protein S1 [Escherichia coli O157:H7 str. Sakai]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 10 no DBJ BAG76494 . "30S ribosomal protein S1 [Escherichia coli SE11]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 11 no DBJ BAH62634 . "30S ribosomal protein S1 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 95.83 557 98.91 98.91 4.08e-50 . . . . 19550 1 12 no DBJ BAI24353 . "30S ribosomal subunit protein S1 [Escherichia coli O26:H11 str. 11368]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 13 no EMBL CAA23630 . "unnamed protein product [Escherichia coli]" . . . . . 95.83 556 98.91 98.91 5.11e-50 . . . . 19550 1 14 no EMBL CAA23644 . "S1 ribosomal protein [Escherichia coli]" . . . . . 95.83 556 98.91 98.91 5.78e-50 . . . . 19550 1 15 no EMBL CAD05381 . "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 95.83 557 98.91 98.91 4.96e-50 . . . . 19550 1 16 no EMBL CAP75381 . "30S ribosomal protein S1 [Escherichia coli LF82]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 17 no EMBL CAQ31439 . "30S ribosomal subunit protein S1, subunit of 30S ribosomal subunit and ribosome [Escherichia coli BL21(DE3)]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 18 no GB AAC73997 . "30S ribosomal subunit protein S1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 19 no GB AAG55396 . "30S ribosomal subunit protein S1 [Escherichia coli O157:H7 str. EDL933]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 20 no GB AAL19915 . "30S ribosomal subunit protein S1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 95.83 557 98.91 98.91 4.96e-50 . . . . 19550 1 21 no GB AAN42537 . "30S ribosomal subunit protein S1 [Shigella flexneri 2a str. 301]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 22 no GB AAN79519 . "30S ribosomal protein S1 [Escherichia coli CFT073]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 23 no PIR AC0614 . "30S ribosomal protein S1 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 95.83 557 98.91 98.91 4.96e-50 . . . . 19550 1 24 no PRF 0804233A . "protein S1" . . . . . 95.83 557 98.91 98.91 5.01e-50 . . . . 19550 1 25 no REF NP_309021 . "30S ribosomal protein S1 [Escherichia coli O157:H7 str. Sakai]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 26 no REF NP_415431 . "30S ribosomal subunit protein S1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 27 no REF NP_455468 . "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 95.83 557 98.91 98.91 4.96e-50 . . . . 19550 1 28 no REF NP_459956 . "30S ribosomal protein S1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 95.83 557 98.91 98.91 4.96e-50 . . . . 19550 1 29 no REF NP_706830 . "30S ribosomal protein S1 [Shigella flexneri 2a str. 301]" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 30 no SP P0AG67 . "RecName: Full=30S ribosomal protein S1; AltName: Full=Bacteriophage Q beta RNA-directed RNA polymerase subunit I" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 31 no SP P0AG68 . "RecName: Full=30S ribosomal protein S1" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 32 no SP P0AG69 . "RecName: Full=30S ribosomal protein S1" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 1 33 no SP P0AG70 . "RecName: Full=30S ribosomal protein S1" . . . . . 95.83 557 98.91 98.91 4.71e-50 . . . . 19550 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 5 GLY . 19550 1 2 6 ILE . 19550 1 3 7 ASP . 19550 1 4 8 PRO . 19550 1 5 9 PHE . 19550 1 6 10 THR . 19550 1 7 11 GLU . 19550 1 8 12 SER . 19550 1 9 13 LEU . 19550 1 10 14 LYS . 19550 1 11 15 GLU . 19550 1 12 16 ILE . 19550 1 13 17 GLU . 19550 1 14 18 THR . 19550 1 15 19 ARG . 19550 1 16 20 PRO . 19550 1 17 21 GLY . 19550 1 18 22 SER . 19550 1 19 23 ILE . 19550 1 20 24 VAL . 19550 1 21 25 ARG . 19550 1 22 26 GLY . 19550 1 23 27 VAL . 19550 1 24 28 VAL . 19550 1 25 29 VAL . 19550 1 26 30 ALA . 19550 1 27 31 ILE . 19550 1 28 32 ASP . 19550 1 29 33 LYS . 19550 1 30 34 ASP . 19550 1 31 35 VAL . 19550 1 32 36 VAL . 19550 1 33 37 LEU . 19550 1 34 38 VAL . 19550 1 35 39 ASP . 19550 1 36 40 ALA . 19550 1 37 41 GLY . 19550 1 38 42 LEU . 19550 1 39 43 LYS . 19550 1 40 44 SER . 19550 1 41 45 GLU . 19550 1 42 46 SER . 19550 1 43 47 ALA . 19550 1 44 48 ILE . 19550 1 45 49 PRO . 19550 1 46 50 ALA . 19550 1 47 51 GLU . 19550 1 48 52 GLN . 19550 1 49 53 PHE . 19550 1 50 54 LYS . 19550 1 51 55 ASN . 19550 1 52 56 ALA . 19550 1 53 57 GLN . 19550 1 54 58 GLY . 19550 1 55 59 GLU . 19550 1 56 60 LEU . 19550 1 57 61 GLU . 19550 1 58 62 ILE . 19550 1 59 63 GLN . 19550 1 60 64 VAL . 19550 1 61 65 GLY . 19550 1 62 66 ASP . 19550 1 63 67 GLU . 19550 1 64 68 VAL . 19550 1 65 69 ASP . 19550 1 66 70 VAL . 19550 1 67 71 ALA . 19550 1 68 72 LEU . 19550 1 69 73 ASP . 19550 1 70 74 ALA . 19550 1 71 75 VAL . 19550 1 72 76 GLU . 19550 1 73 77 ASP . 19550 1 74 78 GLY . 19550 1 75 79 PHE . 19550 1 76 80 GLY . 19550 1 77 81 GLU . 19550 1 78 82 THR . 19550 1 79 83 LEU . 19550 1 80 84 LEU . 19550 1 81 85 SER . 19550 1 82 86 ARG . 19550 1 83 87 GLU . 19550 1 84 88 LYS . 19550 1 85 89 ALA . 19550 1 86 90 LYS . 19550 1 87 91 ARG . 19550 1 88 92 HIS . 19550 1 89 93 GLU . 19550 1 90 94 ALA . 19550 1 91 95 TRP . 19550 1 92 96 ILE . 19550 1 93 97 THR . 19550 1 94 98 LEU . 19550 1 95 99 GLU . 19550 1 96 100 LYS . 19550 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19550 1 . ILE 2 2 19550 1 . ASP 3 3 19550 1 . PRO 4 4 19550 1 . PHE 5 5 19550 1 . THR 6 6 19550 1 . GLU 7 7 19550 1 . SER 8 8 19550 1 . LEU 9 9 19550 1 . LYS 10 10 19550 1 . GLU 11 11 19550 1 . ILE 12 12 19550 1 . GLU 13 13 19550 1 . THR 14 14 19550 1 . ARG 15 15 19550 1 . PRO 16 16 19550 1 . GLY 17 17 19550 1 . SER 18 18 19550 1 . ILE 19 19 19550 1 . VAL 20 20 19550 1 . ARG 21 21 19550 1 . GLY 22 22 19550 1 . VAL 23 23 19550 1 . VAL 24 24 19550 1 . VAL 25 25 19550 1 . ALA 26 26 19550 1 . ILE 27 27 19550 1 . ASP 28 28 19550 1 . LYS 29 29 19550 1 . ASP 30 30 19550 1 . VAL 31 31 19550 1 . VAL 32 32 19550 1 . LEU 33 33 19550 1 . VAL 34 34 19550 1 . ASP 35 35 19550 1 . ALA 36 36 19550 1 . GLY 37 37 19550 1 . LEU 38 38 19550 1 . LYS 39 39 19550 1 . SER 40 40 19550 1 . GLU 41 41 19550 1 . SER 42 42 19550 1 . ALA 43 43 19550 1 . ILE 44 44 19550 1 . PRO 45 45 19550 1 . ALA 46 46 19550 1 . GLU 47 47 19550 1 . GLN 48 48 19550 1 . PHE 49 49 19550 1 . LYS 50 50 19550 1 . ASN 51 51 19550 1 . ALA 52 52 19550 1 . GLN 53 53 19550 1 . GLY 54 54 19550 1 . GLU 55 55 19550 1 . LEU 56 56 19550 1 . GLU 57 57 19550 1 . ILE 58 58 19550 1 . GLN 59 59 19550 1 . VAL 60 60 19550 1 . GLY 61 61 19550 1 . ASP 62 62 19550 1 . GLU 63 63 19550 1 . VAL 64 64 19550 1 . ASP 65 65 19550 1 . VAL 66 66 19550 1 . ALA 67 67 19550 1 . LEU 68 68 19550 1 . ASP 69 69 19550 1 . ALA 70 70 19550 1 . VAL 71 71 19550 1 . GLU 72 72 19550 1 . ASP 73 73 19550 1 . GLY 74 74 19550 1 . PHE 75 75 19550 1 . GLY 76 76 19550 1 . GLU 77 77 19550 1 . THR 78 78 19550 1 . LEU 79 79 19550 1 . LEU 80 80 19550 1 . SER 81 81 19550 1 . ARG 82 82 19550 1 . GLU 83 83 19550 1 . LYS 84 84 19550 1 . ALA 85 85 19550 1 . LYS 86 86 19550 1 . ARG 87 87 19550 1 . HIS 88 88 19550 1 . GLU 89 89 19550 1 . ALA 90 90 19550 1 . TRP 91 91 19550 1 . ILE 92 92 19550 1 . THR 93 93 19550 1 . LEU 94 94 19550 1 . GLU 95 95 19550 1 . LYS 96 96 19550 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 19550 _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 $S1F1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . P0AG67 . . . . . . . . . . . . 19550 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 19550 _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 $S1F1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . . . . pET151:D-TOPO . . . . . . 19550 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_S1F1-15N13C-H2O _Sample.Sf_category sample _Sample.Sf_framecode S1F1-15N13C-H2O _Sample.Entry_ID 19550 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S1F1 '[U-99% 13C; U-99% 15N]' . . 1 $S1F1 . . 0.2 . . mM 2e-05 . . . 19550 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25.0 . . mM 0.0025 . . . 19550 1 3 'potassium chloride' 'natural abundance' . . . . . . 200.0 . . mM 0.0025 . . . 19550 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19550 1 5 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 19550 1 stop_ save_ save_S1F1-15N13C-D2O _Sample.Sf_category sample _Sample.Sf_framecode S1F1-15N13C-D2O _Sample.Entry_ID 19550 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S1F1 '[U-99% 13C; U-99% 15N]' . . 1 $S1F1 . . 0.2 . . mM 2e-05 . . . 19550 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25.0 . . mM 0.0025 . . . 19550 2 3 'potassium chloride' 'natural abundance' . . . . . . 200.0 . . mM 0.0025 . . . 19550 2 4 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19550 2 stop_ save_ save_S1F1-15N _Sample.Sf_category sample _Sample.Sf_framecode S1F1-15N _Sample.Entry_ID 19550 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S1F1 '[U-99% 13C; U-99% 15N]' . . 1 $S1F1 . . 0.5 . . mM 2e-05 . . . 19550 3 2 'potassium phosphate' 'natural abundance' . . . . . . 25.0 . . mM 0.0025 . . . 19550 3 3 'potassium chloride' 'natural abundance' . . . . . . 200.0 . . mM 0.0025 . . . 19550 3 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19550 3 5 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 19550 3 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 19550 _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' 0.200 0.01 M 19550 1 pH 6.500 0.10 pH 19550 1 pressure 1.000 0.01 atm 19550 1 temperature 293.000 0.50 K 19550 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19550 _Software.ID 1 _Software.Name 'CCPNmr ANALYSIS' _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19550 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 19550 1 'Spectrum display' 19550 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 19550 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 19550 2 'Guntert, Mumenthaler and Wuthrich' 'LAS, Tokei-Kaikan BLD.1F 1-11-5 Ueno,Taito, Tokyo 110-0005, Japan' http://www.las.jp/english/products/cyana.html 19550 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 19550 2 'Structure calculation' 19550 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19550 _Software.ID 3 _Software.Name NMRPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 19550 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 19550 3 stop_ save_ save_talos+ _Software.Sf_category software _Software.Sf_framecode talos+ _Software.Entry_ID 19550 _Software.ID 4 _Software.Name TALOS+ _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 19550 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angles' 19550 4 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 19550 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19550 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19550 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19550 _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 Bruker Avance . 950 . . . 19550 1 2 spectrometer_2 Bruker Avance . 600 . . . 19550 1 3 spectrometer_3 Bruker Avance . 800 . . . 19550 1 stop_ save_ save_CRP_950 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CRP_950 _NMR_spectrometer_probe.Entry_ID 19550 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'CP TCI 950' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 19550 1 stop_ save_ save_CRP_600 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CRP_600 _NMR_spectrometer_probe.Entry_ID 19550 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'CP TCI 600' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 19550 2 stop_ save_ save_CRP_800 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CRP_800 _NMR_spectrometer_probe.Entry_ID 19550 _NMR_spectrometer_probe.ID 3 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer bruker _NMR_spectrometer_probe.Model 'CP TCI 800' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 19550 3 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19550 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $S1F1-15N13C-H2O isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 1 $CRP_950 . . . . . . . . . . . . . . 19550 1 2 '3D HNCA' no . . . . . . . . . . 1 $S1F1-15N13C-H2O isotropic . . 1 $Condition_1 . . . 2 $spectrometer_2 2 $CRP_600 . . . . . . . . . . . . . . 19550 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $S1F1-15N13C-H2O isotropic . . 1 $Condition_1 . . . 2 $spectrometer_2 2 $CRP_600 . . . . . . . . . . . . . . 19550 1 4 '3D HNCACB' no . . . . . . . . . . 1 $S1F1-15N13C-H2O isotropic . . 1 $Condition_1 . . . 2 $spectrometer_2 2 $CRP_600 . . . . . . . . . . . . . . 19550 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $S1F1-15N13C-D2O isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 1 $CRP_950 . . . . . . . . . . . . . . 19550 1 6 '3D HNCO' no . . . . . . . . . . 1 $S1F1-15N13C-H2O isotropic . . 1 $Condition_1 . . . 2 $spectrometer_2 2 $CRP_600 . . . . . . . . . . . . . . 19550 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $S1F1-15N13C-H2O isotropic . . 1 $Condition_1 . . . 2 $spectrometer_2 2 $CRP_600 . . . . . . . . . . . . . . 19550 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $S1F1-15N isotropic . . 1 $Condition_1 . . . 3 $spectrometer_3 3 $CRP_800 . . . . . . . . . . . . . . 19550 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $S1F1-15N13C-D2O isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 1 $CRP_950 . . . . . . . . . . . . . . 19550 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $S1F1-15N13C-D2O isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 1 $CRP_950 . . . . . . . . . . . . . . 19550 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 2 $S1F1-15N13C-D2O isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 1 $CRP_950 . . . . . . . . . . . . . . 19550 1 12 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 2 $S1F1-15N13C-D2O isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 1 $CRP_950 . . . . . . . . . . . . . . 19550 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $S1F1-15N13C-D2O isotropic . . 1 $Condition_1 . . . 1 $spectrometer_1 1 $CRP_950 . . . . . . . . . . . . . . 19550 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19550 _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 0.00 na indirect 0.251449530 . . . . . . . . . 19550 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19550 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19550 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19550 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $S1F1-15N13C-H2O isotropic 19550 1 2 '3D HNCA' 1 $S1F1-15N13C-H2O isotropic 19550 1 3 '3D HN(CO)CA' 1 $S1F1-15N13C-H2O isotropic 19550 1 4 '3D HNCACB' 1 $S1F1-15N13C-H2O isotropic 19550 1 5 '3D HCCH-TOCSY' 2 $S1F1-15N13C-D2O isotropic 19550 1 6 '3D HNCO' 1 $S1F1-15N13C-H2O isotropic 19550 1 7 '3D HN(CA)CO' 1 $S1F1-15N13C-H2O isotropic 19550 1 11 '3D CCH-TOCSY' 2 $S1F1-15N13C-D2O isotropic 19550 1 12 '3D HCCH-TOCSY aromatic' 2 $S1F1-15N13C-D2O isotropic 19550 1 13 '2D 1H-1H NOESY' 2 $S1F1-15N13C-D2O isotropic 19550 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.73 0.02 . 2 . . . A 5 GLY HA2 . 19550 1 2 . 1 1 1 1 GLY HA3 H 1 3.73 0.02 . 2 . . . A 5 GLY HA3 . 19550 1 3 . 1 1 1 1 GLY CA C 13 43.10 0.25 . 1 . . . A 5 GLY CA . 19550 1 4 . 1 1 2 2 ILE H H 1 8.36 0.02 . 1 . . . A 6 ILE H . 19550 1 5 . 1 1 2 2 ILE HA H 1 4.10 0.02 . 1 . . . A 6 ILE HA . 19550 1 6 . 1 1 2 2 ILE HB H 1 1.71 0.02 . 1 . . . A 6 ILE HB . 19550 1 7 . 1 1 2 2 ILE HG12 H 1 1.05 0.02 . 2 . . . A 6 ILE HG12 . 19550 1 8 . 1 1 2 2 ILE HG13 H 1 1.32 0.02 . 2 . . . A 6 ILE HG13 . 19550 1 9 . 1 1 2 2 ILE HG21 H 1 0.76 0.02 . 1 . . . A 6 ILE HG21 . 19550 1 10 . 1 1 2 2 ILE HG22 H 1 0.76 0.02 . 1 . . . A 6 ILE HG22 . 19550 1 11 . 1 1 2 2 ILE HG23 H 1 0.76 0.02 . 1 . . . A 6 ILE HG23 . 19550 1 12 . 1 1 2 2 ILE HD11 H 1 0.73 0.02 . 1 . . . A 6 ILE HD11 . 19550 1 13 . 1 1 2 2 ILE HD12 H 1 0.73 0.02 . 1 . . . A 6 ILE HD12 . 19550 1 14 . 1 1 2 2 ILE HD13 H 1 0.73 0.02 . 1 . . . A 6 ILE HD13 . 19550 1 15 . 1 1 2 2 ILE C C 13 175.70 0.25 . 1 . . . A 6 ILE C . 19550 1 16 . 1 1 2 2 ILE CA C 13 60.89 0.25 . 1 . . . A 6 ILE CA . 19550 1 17 . 1 1 2 2 ILE CB C 13 39.08 0.25 . 1 . . . A 6 ILE CB . 19550 1 18 . 1 1 2 2 ILE CG1 C 13 27.19 0.25 . 1 . . . A 6 ILE CG1 . 19550 1 19 . 1 1 2 2 ILE CG2 C 13 17.42 0.25 . 1 . . . A 6 ILE CG2 . 19550 1 20 . 1 1 2 2 ILE CD1 C 13 13.03 0.25 . 1 . . . A 6 ILE CD1 . 19550 1 21 . 1 1 2 2 ILE N N 15 119.41 0.15 . 1 . . . A 6 ILE N . 19550 1 22 . 1 1 3 3 ASP H H 1 8.42 0.02 . 1 . . . A 7 ASP H . 19550 1 23 . 1 1 3 3 ASP HA H 1 4.80 0.02 . 1 . . . A 7 ASP HA . 19550 1 24 . 1 1 3 3 ASP HB2 H 1 2.68 0.02 . 2 . . . A 7 ASP HB2 . 19550 1 25 . 1 1 3 3 ASP HB3 H 1 2.46 0.02 . 2 . . . A 7 ASP HB3 . 19550 1 26 . 1 1 3 3 ASP C C 13 174.61 0.25 . 1 . . . A 7 ASP C . 19550 1 27 . 1 1 3 3 ASP CA C 13 51.91 0.25 . 1 . . . A 7 ASP CA . 19550 1 28 . 1 1 3 3 ASP CB C 13 41.24 0.25 . 1 . . . A 7 ASP CB . 19550 1 29 . 1 1 3 3 ASP N N 15 126.10 0.15 . 1 . . . A 7 ASP N . 19550 1 30 . 1 1 4 4 PRO HA H 1 4.24 0.02 . 1 . . . A 8 PRO HA . 19550 1 31 . 1 1 4 4 PRO HB2 H 1 1.57 0.02 . 2 . . . A 8 PRO HB2 . 19550 1 32 . 1 1 4 4 PRO HB3 H 1 2.08 0.02 . 2 . . . A 8 PRO HB3 . 19550 1 33 . 1 1 4 4 PRO HG2 H 1 1.81 0.02 . 2 . . . A 8 PRO HG2 . 19550 1 34 . 1 1 4 4 PRO HG3 H 1 1.69 0.02 . 2 . . . A 8 PRO HG3 . 19550 1 35 . 1 1 4 4 PRO HD2 H 1 3.66 0.02 . 2 . . . A 8 PRO HD2 . 19550 1 36 . 1 1 4 4 PRO HD3 H 1 3.77 0.02 . 2 . . . A 8 PRO HD3 . 19550 1 37 . 1 1 4 4 PRO C C 13 177.11 0.25 . 1 . . . A 8 PRO C . 19550 1 38 . 1 1 4 4 PRO CA C 13 63.54 0.25 . 1 . . . A 8 PRO CA . 19550 1 39 . 1 1 4 4 PRO CB C 13 31.88 0.25 . 1 . . . A 8 PRO CB . 19550 1 40 . 1 1 4 4 PRO CG C 13 26.92 0.25 . 1 . . . A 8 PRO CG . 19550 1 41 . 1 1 4 4 PRO CD C 13 50.83 0.25 . 1 . . . A 8 PRO CD . 19550 1 42 . 1 1 5 5 PHE H H 1 8.21 0.02 . 1 . . . A 9 PHE H . 19550 1 43 . 1 1 5 5 PHE HA H 1 4.49 0.02 . 1 . . . A 9 PHE HA . 19550 1 44 . 1 1 5 5 PHE HB2 H 1 3.09 0.02 . 2 . . . A 9 PHE HB2 . 19550 1 45 . 1 1 5 5 PHE HB3 H 1 3.02 0.02 . 2 . . . A 9 PHE HB3 . 19550 1 46 . 1 1 5 5 PHE HD1 H 1 7.18 0.02 . 3 . . . A 9 PHE HD1 . 19550 1 47 . 1 1 5 5 PHE HD2 H 1 7.18 0.02 . 3 . . . A 9 PHE HD2 . 19550 1 48 . 1 1 5 5 PHE HE1 H 1 7.24 0.02 . 3 . . . A 9 PHE HE1 . 19550 1 49 . 1 1 5 5 PHE HE2 H 1 7.24 0.02 . 3 . . . A 9 PHE HE2 . 19550 1 50 . 1 1 5 5 PHE HZ H 1 7.19 0.02 . 1 . . . A 9 PHE HZ . 19550 1 51 . 1 1 5 5 PHE C C 13 176.38 0.25 . 1 . . . A 9 PHE C . 19550 1 52 . 1 1 5 5 PHE CA C 13 58.32 0.25 . 1 . . . A 9 PHE CA . 19550 1 53 . 1 1 5 5 PHE CB C 13 38.77 0.25 . 1 . . . A 9 PHE CB . 19550 1 54 . 1 1 5 5 PHE CD1 C 13 131.82 0.25 . 3 . . . A 9 PHE CD1 . 19550 1 55 . 1 1 5 5 PHE CD2 C 13 131.82 0.25 . 3 . . . A 9 PHE CD2 . 19550 1 56 . 1 1 5 5 PHE CE1 C 13 131.60 0.25 . 3 . . . A 9 PHE CE1 . 19550 1 57 . 1 1 5 5 PHE CE2 C 13 131.60 0.25 . 3 . . . A 9 PHE CE2 . 19550 1 58 . 1 1 5 5 PHE CZ C 13 129.71 0.25 . 1 . . . A 9 PHE CZ . 19550 1 59 . 1 1 5 5 PHE N N 15 119.02 0.15 . 1 . . . A 9 PHE N . 19550 1 60 . 1 1 6 6 THR H H 1 7.74 0.02 . 1 . . . A 10 THR H . 19550 1 61 . 1 1 6 6 THR HA H 1 4.11 0.02 . 1 . . . A 10 THR HA . 19550 1 62 . 1 1 6 6 THR HB H 1 4.07 0.02 . 1 . . . A 10 THR HB . 19550 1 63 . 1 1 6 6 THR HG21 H 1 1.10 0.02 . 1 . . . A 10 THR HG21 . 19550 1 64 . 1 1 6 6 THR HG22 H 1 1.10 0.02 . 1 . . . A 10 THR HG22 . 19550 1 65 . 1 1 6 6 THR HG23 H 1 1.10 0.02 . 1 . . . A 10 THR HG23 . 19550 1 66 . 1 1 6 6 THR C C 13 174.66 0.25 . 1 . . . A 10 THR C . 19550 1 67 . 1 1 6 6 THR CA C 13 62.49 0.25 . 1 . . . A 10 THR CA . 19550 1 68 . 1 1 6 6 THR CB C 13 69.55 0.25 . 1 . . . A 10 THR CB . 19550 1 69 . 1 1 6 6 THR CG2 C 13 21.52 0.25 . 1 . . . A 10 THR CG2 . 19550 1 70 . 1 1 6 6 THR N N 15 115.23 0.15 . 1 . . . A 10 THR N . 19550 1 71 . 1 1 7 7 GLU H H 1 8.17 0.02 . 1 . . . A 11 GLU H . 19550 1 72 . 1 1 7 7 GLU HA H 1 4.12 0.02 . 1 . . . A 11 GLU HA . 19550 1 73 . 1 1 7 7 GLU HB2 H 1 1.85 0.02 . 2 . . . A 11 GLU HB2 . 19550 1 74 . 1 1 7 7 GLU HB3 H 1 1.96 0.02 . 2 . . . A 11 GLU HB3 . 19550 1 75 . 1 1 7 7 GLU HG2 H 1 2.16 0.02 . 1 . . . A 11 GLU HG2 . 19550 1 76 . 1 1 7 7 GLU HG3 H 1 2.16 0.02 . 1 . . . A 11 GLU HG3 . 19550 1 77 . 1 1 7 7 GLU C C 13 176.62 0.25 . 1 . . . A 11 GLU C . 19550 1 78 . 1 1 7 7 GLU CA C 13 56.92 0.25 . 1 . . . A 11 GLU CA . 19550 1 79 . 1 1 7 7 GLU CB C 13 29.90 0.25 . 1 . . . A 11 GLU CB . 19550 1 80 . 1 1 7 7 GLU N N 15 122.99 0.15 . 1 . . . A 11 GLU N . 19550 1 81 . 1 1 8 8 SER H H 1 8.15 0.02 . 1 . . . A 12 SER H . 19550 1 82 . 1 1 8 8 SER HA H 1 4.29 0.02 . 1 . . . A 12 SER HA . 19550 1 83 . 1 1 8 8 SER HB2 H 1 3.76 0.02 . 1 . . . A 12 SER HB2 . 19550 1 84 . 1 1 8 8 SER HB3 H 1 3.76 0.02 . 1 . . . A 12 SER HB3 . 19550 1 85 . 1 1 8 8 SER C C 13 174.57 0.25 . 1 . . . A 12 SER C . 19550 1 86 . 1 1 8 8 SER CA C 13 58.54 0.25 . 1 . . . A 12 SER CA . 19550 1 87 . 1 1 8 8 SER CB C 13 63.46 0.25 . 1 . . . A 12 SER CB . 19550 1 88 . 1 1 8 8 SER N N 15 116.41 0.15 . 1 . . . A 12 SER N . 19550 1 89 . 1 1 9 9 LEU H H 1 8.05 0.02 . 1 . . . A 13 LEU H . 19550 1 90 . 1 1 9 9 LEU HA H 1 4.21 0.02 . 1 . . . A 13 LEU HA . 19550 1 91 . 1 1 9 9 LEU HB2 H 1 1.55 0.02 . 2 . . . A 13 LEU HB2 . 19550 1 92 . 1 1 9 9 LEU HB3 H 1 1.50 0.02 . 2 . . . A 13 LEU HB3 . 19550 1 93 . 1 1 9 9 LEU HG H 1 1.52 0.02 . 1 . . . A 13 LEU HG . 19550 1 94 . 1 1 9 9 LEU HD11 H 1 0.77 0.02 . 2 . . . A 13 LEU HD11 . 19550 1 95 . 1 1 9 9 LEU HD12 H 1 0.77 0.02 . 2 . . . A 13 LEU HD12 . 19550 1 96 . 1 1 9 9 LEU HD13 H 1 0.77 0.02 . 2 . . . A 13 LEU HD13 . 19550 1 97 . 1 1 9 9 LEU HD21 H 1 0.77 0.02 . 2 . . . A 13 LEU HD21 . 19550 1 98 . 1 1 9 9 LEU HD22 H 1 0.77 0.02 . 2 . . . A 13 LEU HD22 . 19550 1 99 . 1 1 9 9 LEU HD23 H 1 0.77 0.02 . 2 . . . A 13 LEU HD23 . 19550 1 100 . 1 1 9 9 LEU C C 13 177.37 0.25 . 1 . . . A 13 LEU C . 19550 1 101 . 1 1 9 9 LEU CA C 13 55.24 0.25 . 1 . . . A 13 LEU CA . 19550 1 102 . 1 1 9 9 LEU CB C 13 42.06 0.25 . 1 . . . A 13 LEU CB . 19550 1 103 . 1 1 9 9 LEU CG C 13 26.78 0.25 . 1 . . . A 13 LEU CG . 19550 1 104 . 1 1 9 9 LEU CD1 C 13 23.36 0.25 . 2 . . . A 13 LEU CD1 . 19550 1 105 . 1 1 9 9 LEU CD2 C 13 24.68 0.25 . 2 . . . A 13 LEU CD2 . 19550 1 106 . 1 1 9 9 LEU N N 15 123.78 0.15 . 1 . . . A 13 LEU N . 19550 1 107 . 1 1 10 10 LYS H H 1 8.03 0.02 . 1 . . . A 14 LYS H . 19550 1 108 . 1 1 10 10 LYS HA H 1 4.16 0.02 . 1 . . . A 14 LYS HA . 19550 1 109 . 1 1 10 10 LYS HB2 H 1 1.65 0.02 . 2 . . . A 14 LYS HB2 . 19550 1 110 . 1 1 10 10 LYS HB3 H 1 1.71 0.02 . 2 . . . A 14 LYS HB3 . 19550 1 111 . 1 1 10 10 LYS HG2 H 1 1.30 0.02 . 2 . . . A 14 LYS HG2 . 19550 1 112 . 1 1 10 10 LYS HG3 H 1 1.34 0.02 . 2 . . . A 14 LYS HG3 . 19550 1 113 . 1 1 10 10 LYS HD2 H 1 1.57 0.02 . 2 . . . A 14 LYS HD2 . 19550 1 114 . 1 1 10 10 LYS HD3 H 1 1.56 0.02 . 2 . . . A 14 LYS HD3 . 19550 1 115 . 1 1 10 10 LYS HE2 H 1 2.87 0.02 . 2 . . . A 14 LYS HE2 . 19550 1 116 . 1 1 10 10 LYS HE3 H 1 2.86 0.02 . 2 . . . A 14 LYS HE3 . 19550 1 117 . 1 1 10 10 LYS C C 13 176.56 0.25 . 1 . . . A 14 LYS C . 19550 1 118 . 1 1 10 10 LYS CA C 13 56.34 0.25 . 1 . . . A 14 LYS CA . 19550 1 119 . 1 1 10 10 LYS CB C 13 32.95 0.25 . 1 . . . A 14 LYS CB . 19550 1 120 . 1 1 10 10 LYS CG C 13 24.63 0.25 . 1 . . . A 14 LYS CG . 19550 1 121 . 1 1 10 10 LYS CD C 13 28.83 0.25 . 1 . . . A 14 LYS CD . 19550 1 122 . 1 1 10 10 LYS CE C 13 41.82 0.25 . 1 . . . A 14 LYS CE . 19550 1 123 . 1 1 10 10 LYS N N 15 121.43 0.15 . 1 . . . A 14 LYS N . 19550 1 124 . 1 1 11 11 GLU H H 1 8.23 0.02 . 1 . . . A 15 GLU H . 19550 1 125 . 1 1 11 11 GLU HA H 1 4.16 0.02 . 1 . . . A 15 GLU HA . 19550 1 126 . 1 1 11 11 GLU HB2 H 1 1.94 0.02 . 2 . . . A 15 GLU HB2 . 19550 1 127 . 1 1 11 11 GLU HB3 H 1 1.83 0.02 . 2 . . . A 15 GLU HB3 . 19550 1 128 . 1 1 11 11 GLU HG2 H 1 2.13 0.02 . 2 . . . A 15 GLU HG2 . 19550 1 129 . 1 1 11 11 GLU HG3 H 1 2.17 0.02 . 2 . . . A 15 GLU HG3 . 19550 1 130 . 1 1 11 11 GLU C C 13 176.41 0.25 . 1 . . . A 15 GLU C . 19550 1 131 . 1 1 11 11 GLU CA C 13 56.53 0.25 . 1 . . . A 15 GLU CA . 19550 1 132 . 1 1 11 11 GLU N N 15 121.69 0.15 . 1 . . . A 15 GLU N . 19550 1 133 . 1 1 12 12 ILE H H 1 8.01 0.02 . 1 . . . A 16 ILE H . 19550 1 134 . 1 1 12 12 ILE HA H 1 4.02 0.02 . 1 . . . A 16 ILE HA . 19550 1 135 . 1 1 12 12 ILE HB H 1 1.75 0.02 . 1 . . . A 16 ILE HB . 19550 1 136 . 1 1 12 12 ILE HG12 H 1 1.08 0.02 . 2 . . . A 16 ILE HG12 . 19550 1 137 . 1 1 12 12 ILE HG13 H 1 1.36 0.02 . 2 . . . A 16 ILE HG13 . 19550 1 138 . 1 1 12 12 ILE HG21 H 1 0.79 0.02 . 1 . . . A 16 ILE HG21 . 19550 1 139 . 1 1 12 12 ILE HG22 H 1 0.79 0.02 . 1 . . . A 16 ILE HG22 . 19550 1 140 . 1 1 12 12 ILE HG23 H 1 0.79 0.02 . 1 . . . A 16 ILE HG23 . 19550 1 141 . 1 1 12 12 ILE HD11 H 1 0.75 0.02 . 1 . . . A 16 ILE HD11 . 19550 1 142 . 1 1 12 12 ILE HD12 H 1 0.75 0.02 . 1 . . . A 16 ILE HD12 . 19550 1 143 . 1 1 12 12 ILE HD13 H 1 0.75 0.02 . 1 . . . A 16 ILE HD13 . 19550 1 144 . 1 1 12 12 ILE C C 13 176.16 0.25 . 1 . . . A 16 ILE C . 19550 1 145 . 1 1 12 12 ILE CA C 13 61.13 0.25 . 1 . . . A 16 ILE CA . 19550 1 146 . 1 1 12 12 ILE CB C 13 38.83 0.25 . 1 . . . A 16 ILE CB . 19550 1 147 . 1 1 12 12 ILE CG1 C 13 27.30 0.25 . 1 . . . A 16 ILE CG1 . 19550 1 148 . 1 1 12 12 ILE CG2 C 13 17.46 0.25 . 1 . . . A 16 ILE CG2 . 19550 1 149 . 1 1 12 12 ILE CD1 C 13 12.99 0.25 . 1 . . . A 16 ILE CD1 . 19550 1 150 . 1 1 12 12 ILE N N 15 121.20 0.15 . 1 . . . A 16 ILE N . 19550 1 151 . 1 1 13 13 GLU H H 1 8.34 0.02 . 1 . . . A 17 GLU H . 19550 1 152 . 1 1 13 13 GLU HA H 1 4.24 0.02 . 1 . . . A 17 GLU HA . 19550 1 153 . 1 1 13 13 GLU HB2 H 1 1.93 0.02 . 2 . . . A 17 GLU HB2 . 19550 1 154 . 1 1 13 13 GLU HB3 H 1 1.87 0.02 . 2 . . . A 17 GLU HB3 . 19550 1 155 . 1 1 13 13 GLU HG2 H 1 2.15 0.02 . 1 . . . A 17 GLU HG2 . 19550 1 156 . 1 1 13 13 GLU HG3 H 1 2.15 0.02 . 1 . . . A 17 GLU HG3 . 19550 1 157 . 1 1 13 13 GLU C C 13 176.31 0.25 . 1 . . . A 17 GLU C . 19550 1 158 . 1 1 13 13 GLU CA C 13 56.41 0.25 . 1 . . . A 17 GLU CA . 19550 1 159 . 1 1 13 13 GLU N N 15 124.67 0.15 . 1 . . . A 17 GLU N . 19550 1 160 . 1 1 14 14 THR H H 1 8.09 0.02 . 1 . . . A 18 THR H . 19550 1 161 . 1 1 14 14 THR HA H 1 4.20 0.02 . 1 . . . A 18 THR HA . 19550 1 162 . 1 1 14 14 THR HB H 1 4.04 0.02 . 1 . . . A 18 THR HB . 19550 1 163 . 1 1 14 14 THR HG21 H 1 1.07 0.02 . 1 . . . A 18 THR HG21 . 19550 1 164 . 1 1 14 14 THR HG22 H 1 1.07 0.02 . 1 . . . A 18 THR HG22 . 19550 1 165 . 1 1 14 14 THR HG23 H 1 1.07 0.02 . 1 . . . A 18 THR HG23 . 19550 1 166 . 1 1 14 14 THR C C 13 174.11 0.25 . 1 . . . A 18 THR C . 19550 1 167 . 1 1 14 14 THR CA C 13 61.57 0.25 . 1 . . . A 18 THR CA . 19550 1 168 . 1 1 14 14 THR CB C 13 69.72 0.25 . 1 . . . A 18 THR CB . 19550 1 169 . 1 1 14 14 THR N N 15 116.05 0.15 . 1 . . . A 18 THR N . 19550 1 170 . 1 1 15 15 ARG H H 1 8.35 0.02 . 1 . . . A 19 ARG H . 19550 1 171 . 1 1 15 15 ARG HA H 1 4.53 0.02 . 1 . . . A 19 ARG HA . 19550 1 172 . 1 1 15 15 ARG HB2 H 1 1.63 0.02 . 2 . . . A 19 ARG HB2 . 19550 1 173 . 1 1 15 15 ARG HB3 H 1 1.73 0.02 . 2 . . . A 19 ARG HB3 . 19550 1 174 . 1 1 15 15 ARG HG2 H 1 1.55 0.02 . 2 . . . A 19 ARG HG2 . 19550 1 175 . 1 1 15 15 ARG HG3 H 1 1.55 0.02 . 2 . . . A 19 ARG HG3 . 19550 1 176 . 1 1 15 15 ARG HD2 H 1 3.08 0.02 . 2 . . . A 19 ARG HD2 . 19550 1 177 . 1 1 15 15 ARG HD3 H 1 3.07 0.02 . 2 . . . A 19 ARG HD3 . 19550 1 178 . 1 1 15 15 ARG CA C 13 53.92 0.25 . 1 . . . A 19 ARG CA . 19550 1 179 . 1 1 15 15 ARG CB C 13 30.08 0.25 . 1 . . . A 19 ARG CB . 19550 1 180 . 1 1 15 15 ARG CG C 13 26.80 0.25 . 1 . . . A 19 ARG CG . 19550 1 181 . 1 1 15 15 ARG CD C 13 43.20 0.25 . 1 . . . A 19 ARG CD . 19550 1 182 . 1 1 15 15 ARG N N 15 124.91 0.15 . 1 . . . A 19 ARG N . 19550 1 183 . 1 1 16 16 PRO HA H 1 4.32 0.02 . 1 . . . A 20 PRO HA . 19550 1 184 . 1 1 16 16 PRO HB2 H 1 1.83 0.02 . 2 . . . A 20 PRO HB2 . 19550 1 185 . 1 1 16 16 PRO HB3 H 1 2.19 0.02 . 2 . . . A 20 PRO HB3 . 19550 1 186 . 1 1 16 16 PRO HG2 H 1 1.95 0.02 . 2 . . . A 20 PRO HG2 . 19550 1 187 . 1 1 16 16 PRO HG3 H 1 1.88 0.02 . 2 . . . A 20 PRO HG3 . 19550 1 188 . 1 1 16 16 PRO HD2 H 1 3.72 0.02 . 2 . . . A 20 PRO HD2 . 19550 1 189 . 1 1 16 16 PRO HD3 H 1 3.52 0.02 . 2 . . . A 20 PRO HD3 . 19550 1 190 . 1 1 16 16 PRO C C 13 177.24 0.25 . 1 . . . A 20 PRO C . 19550 1 191 . 1 1 16 16 PRO CA C 13 63.42 0.25 . 1 . . . A 20 PRO CA . 19550 1 192 . 1 1 16 16 PRO CB C 13 31.98 0.25 . 1 . . . A 20 PRO CB . 19550 1 193 . 1 1 16 16 PRO CG C 13 27.40 0.25 . 1 . . . A 20 PRO CG . 19550 1 194 . 1 1 16 16 PRO CD C 13 50.63 0.25 . 1 . . . A 20 PRO CD . 19550 1 195 . 1 1 17 17 GLY H H 1 8.46 0.02 . 1 . . . A 21 GLY H . 19550 1 196 . 1 1 17 17 GLY HA2 H 1 3.88 0.02 . 2 . . . A 21 GLY HA2 . 19550 1 197 . 1 1 17 17 GLY HA3 H 1 3.88 0.02 . 2 . . . A 21 GLY HA3 . 19550 1 198 . 1 1 17 17 GLY C C 13 173.99 0.25 . 1 . . . A 21 GLY C . 19550 1 199 . 1 1 17 17 GLY CA C 13 45.09 0.25 . 1 . . . A 21 GLY CA . 19550 1 200 . 1 1 17 17 GLY N N 15 109.69 0.15 . 1 . . . A 21 GLY N . 19550 1 201 . 1 1 18 18 SER H H 1 8.10 0.02 . 1 . . . A 22 SER H . 19550 1 202 . 1 1 18 18 SER HA H 1 4.38 0.02 . 1 . . . A 22 SER HA . 19550 1 203 . 1 1 18 18 SER HB2 H 1 3.75 0.02 . 2 . . . A 22 SER HB2 . 19550 1 204 . 1 1 18 18 SER HB3 H 1 3.75 0.02 . 2 . . . A 22 SER HB3 . 19550 1 205 . 1 1 18 18 SER C C 13 173.11 0.25 . 1 . . . A 22 SER C . 19550 1 206 . 1 1 18 18 SER CA C 13 58.54 0.25 . 1 . . . A 22 SER CA . 19550 1 207 . 1 1 18 18 SER CB C 13 64.06 0.25 . 1 . . . A 22 SER CB . 19550 1 208 . 1 1 18 18 SER N N 15 115.17 0.15 . 1 . . . A 22 SER N . 19550 1 209 . 1 1 19 19 ILE H H 1 7.97 0.02 . 1 . . . A 23 ILE H . 19550 1 210 . 1 1 19 19 ILE HA H 1 4.68 0.02 . 1 . . . A 23 ILE HA . 19550 1 211 . 1 1 19 19 ILE HB H 1 1.61 0.02 . 1 . . . A 23 ILE HB . 19550 1 212 . 1 1 19 19 ILE HG12 H 1 0.99 0.02 . 2 . . . A 23 ILE HG12 . 19550 1 213 . 1 1 19 19 ILE HG13 H 1 1.33 0.02 . 2 . . . A 23 ILE HG13 . 19550 1 214 . 1 1 19 19 ILE HG21 H 1 0.63 0.02 . 1 . . . A 23 ILE HG21 . 19550 1 215 . 1 1 19 19 ILE HG22 H 1 0.63 0.02 . 1 . . . A 23 ILE HG22 . 19550 1 216 . 1 1 19 19 ILE HG23 H 1 0.63 0.02 . 1 . . . A 23 ILE HG23 . 19550 1 217 . 1 1 19 19 ILE HD11 H 1 0.63 0.02 . 1 . . . A 23 ILE HD11 . 19550 1 218 . 1 1 19 19 ILE HD12 H 1 0.63 0.02 . 1 . . . A 23 ILE HD12 . 19550 1 219 . 1 1 19 19 ILE HD13 H 1 0.63 0.02 . 1 . . . A 23 ILE HD13 . 19550 1 220 . 1 1 19 19 ILE C C 13 175.99 0.25 . 1 . . . A 23 ILE C . 19550 1 221 . 1 1 19 19 ILE CA C 13 59.67 0.25 . 1 . . . A 23 ILE CA . 19550 1 222 . 1 1 19 19 ILE CB C 13 39.19 0.25 . 1 . . . A 23 ILE CB . 19550 1 223 . 1 1 19 19 ILE CG1 C 13 27.14 0.25 . 1 . . . A 23 ILE CG1 . 19550 1 224 . 1 1 19 19 ILE CG2 C 13 17.72 0.25 . 1 . . . A 23 ILE CG2 . 19550 1 225 . 1 1 19 19 ILE CD1 C 13 12.12 0.25 . 1 . . . A 23 ILE CD1 . 19550 1 226 . 1 1 19 19 ILE N N 15 122.59 0.15 . 1 . . . A 23 ILE N . 19550 1 227 . 1 1 20 20 VAL H H 1 8.94 0.02 . 1 . . . A 24 VAL H . 19550 1 228 . 1 1 20 20 VAL HA H 1 4.44 0.02 . 1 . . . A 24 VAL HA . 19550 1 229 . 1 1 20 20 VAL HB H 1 2.02 0.02 . 1 . . . A 24 VAL HB . 19550 1 230 . 1 1 20 20 VAL HG11 H 1 0.78 0.02 . 2 . . . A 24 VAL HG11 . 19550 1 231 . 1 1 20 20 VAL HG12 H 1 0.78 0.02 . 2 . . . A 24 VAL HG12 . 19550 1 232 . 1 1 20 20 VAL HG13 H 1 0.78 0.02 . 2 . . . A 24 VAL HG13 . 19550 1 233 . 1 1 20 20 VAL HG21 H 1 0.74 0.02 . 2 . . . A 24 VAL HG21 . 19550 1 234 . 1 1 20 20 VAL HG22 H 1 0.74 0.02 . 2 . . . A 24 VAL HG22 . 19550 1 235 . 1 1 20 20 VAL HG23 H 1 0.74 0.02 . 2 . . . A 24 VAL HG23 . 19550 1 236 . 1 1 20 20 VAL C C 13 173.35 0.25 . 1 . . . A 24 VAL C . 19550 1 237 . 1 1 20 20 VAL CA C 13 59.60 0.25 . 1 . . . A 24 VAL CA . 19550 1 238 . 1 1 20 20 VAL CB C 13 35.02 0.25 . 1 . . . A 24 VAL CB . 19550 1 239 . 1 1 20 20 VAL CG1 C 13 21.40 0.25 . 2 . . . A 24 VAL CG1 . 19550 1 240 . 1 1 20 20 VAL CG2 C 13 19.90 0.25 . 2 . . . A 24 VAL CG2 . 19550 1 241 . 1 1 20 20 VAL N N 15 123.62 0.15 . 1 . . . A 24 VAL N . 19550 1 242 . 1 1 21 21 ARG H H 1 8.19 0.02 . 1 . . . A 25 ARG H . 19550 1 243 . 1 1 21 21 ARG HA H 1 5.02 0.02 . 1 . . . A 25 ARG HA . 19550 1 244 . 1 1 21 21 ARG HB2 H 1 1.68 0.02 . 2 . . . A 25 ARG HB2 . 19550 1 245 . 1 1 21 21 ARG HB3 H 1 1.61 0.02 . 2 . . . A 25 ARG HB3 . 19550 1 246 . 1 1 21 21 ARG HG2 H 1 1.44 0.02 . 2 . . . A 25 ARG HG2 . 19550 1 247 . 1 1 21 21 ARG HG3 H 1 1.53 0.02 . 2 . . . A 25 ARG HG3 . 19550 1 248 . 1 1 21 21 ARG HD2 H 1 3.02 0.02 . 2 . . . A 25 ARG HD2 . 19550 1 249 . 1 1 21 21 ARG HD3 H 1 3.07 0.02 . 2 . . . A 25 ARG HD3 . 19550 1 250 . 1 1 21 21 ARG C C 13 176.17 0.25 . 1 . . . A 25 ARG C . 19550 1 251 . 1 1 21 21 ARG CA C 13 54.37 0.25 . 1 . . . A 25 ARG CA . 19550 1 252 . 1 1 21 21 ARG CB C 13 30.72 0.25 . 1 . . . A 25 ARG CB . 19550 1 253 . 1 1 21 21 ARG CG C 13 26.32 0.25 . 1 . . . A 25 ARG CG . 19550 1 254 . 1 1 21 21 ARG CD C 13 42.71 0.25 . 1 . . . A 25 ARG CD . 19550 1 255 . 1 1 21 21 ARG N N 15 123.39 0.15 . 1 . . . A 25 ARG N . 19550 1 256 . 1 1 22 22 GLY H H 1 8.89 0.02 . 1 . . . A 26 GLY H . 19550 1 257 . 1 1 22 22 GLY HA2 H 1 4.68 0.02 . 2 . . . A 26 GLY HA2 . 19550 1 258 . 1 1 22 22 GLY HA3 H 1 3.17 0.02 . 2 . . . A 26 GLY HA3 . 19550 1 259 . 1 1 22 22 GLY C C 13 171.12 0.25 . 1 . . . A 26 GLY C . 19550 1 260 . 1 1 22 22 GLY CA C 13 43.98 0.25 . 1 . . . A 26 GLY CA . 19550 1 261 . 1 1 22 22 GLY N N 15 111.51 0.15 . 1 . . . A 26 GLY N . 19550 1 262 . 1 1 23 23 VAL H H 1 7.75 0.02 . 1 . . . A 27 VAL H . 19550 1 263 . 1 1 23 23 VAL HA H 1 4.79 0.02 . 1 . . . A 27 VAL HA . 19550 1 264 . 1 1 23 23 VAL HB H 1 1.78 0.02 . 1 . . . A 27 VAL HB . 19550 1 265 . 1 1 23 23 VAL HG11 H 1 0.74 0.02 . 2 . . . A 27 VAL HG11 . 19550 1 266 . 1 1 23 23 VAL HG12 H 1 0.74 0.02 . 2 . . . A 27 VAL HG12 . 19550 1 267 . 1 1 23 23 VAL HG13 H 1 0.74 0.02 . 2 . . . A 27 VAL HG13 . 19550 1 268 . 1 1 23 23 VAL HG21 H 1 0.81 0.02 . 2 . . . A 27 VAL HG21 . 19550 1 269 . 1 1 23 23 VAL HG22 H 1 0.81 0.02 . 2 . . . A 27 VAL HG22 . 19550 1 270 . 1 1 23 23 VAL HG23 H 1 0.81 0.02 . 2 . . . A 27 VAL HG23 . 19550 1 271 . 1 1 23 23 VAL C C 13 175.61 0.25 . 1 . . . A 27 VAL C . 19550 1 272 . 1 1 23 23 VAL CA C 13 59.80 0.25 . 1 . . . A 27 VAL CA . 19550 1 273 . 1 1 23 23 VAL CB C 13 35.12 0.25 . 1 . . . A 27 VAL CB . 19550 1 274 . 1 1 23 23 VAL CG1 C 13 20.77 0.25 . 2 . . . A 27 VAL CG1 . 19550 1 275 . 1 1 23 23 VAL CG2 C 13 21.48 0.25 . 2 . . . A 27 VAL CG2 . 19550 1 276 . 1 1 23 23 VAL N N 15 117.44 0.15 . 1 . . . A 27 VAL N . 19550 1 277 . 1 1 24 24 VAL H H 1 8.88 0.02 . 1 . . . A 28 VAL H . 19550 1 278 . 1 1 24 24 VAL HA H 1 3.79 0.02 . 1 . . . A 28 VAL HA . 19550 1 279 . 1 1 24 24 VAL HB H 1 2.09 0.02 . 1 . . . A 28 VAL HB . 19550 1 280 . 1 1 24 24 VAL HG11 H 1 0.57 0.02 . 2 . . . A 28 VAL HG11 . 19550 1 281 . 1 1 24 24 VAL HG12 H 1 0.57 0.02 . 2 . . . A 28 VAL HG12 . 19550 1 282 . 1 1 24 24 VAL HG13 H 1 0.57 0.02 . 2 . . . A 28 VAL HG13 . 19550 1 283 . 1 1 24 24 VAL HG21 H 1 0.55 0.02 . 2 . . . A 28 VAL HG21 . 19550 1 284 . 1 1 24 24 VAL HG22 H 1 0.55 0.02 . 2 . . . A 28 VAL HG22 . 19550 1 285 . 1 1 24 24 VAL HG23 H 1 0.55 0.02 . 2 . . . A 28 VAL HG23 . 19550 1 286 . 1 1 24 24 VAL C C 13 176.96 0.25 . 1 . . . A 28 VAL C . 19550 1 287 . 1 1 24 24 VAL CA C 13 63.95 0.25 . 1 . . . A 28 VAL CA . 19550 1 288 . 1 1 24 24 VAL CB C 13 31.54 0.25 . 1 . . . A 28 VAL CB . 19550 1 289 . 1 1 24 24 VAL CG1 C 13 22.09 0.25 . 2 . . . A 28 VAL CG1 . 19550 1 290 . 1 1 24 24 VAL CG2 C 13 22.09 0.25 . 2 . . . A 28 VAL CG2 . 19550 1 291 . 1 1 24 24 VAL N N 15 126.62 0.15 . 1 . . . A 28 VAL N . 19550 1 292 . 1 1 25 25 VAL H H 1 9.18 0.02 . 1 . . . A 29 VAL H . 19550 1 293 . 1 1 25 25 VAL HA H 1 4.31 0.02 . 1 . . . A 29 VAL HA . 19550 1 294 . 1 1 25 25 VAL HB H 1 1.98 0.02 . 1 . . . A 29 VAL HB . 19550 1 295 . 1 1 25 25 VAL HG11 H 1 0.89 0.02 . 2 . . . A 29 VAL HG11 . 19550 1 296 . 1 1 25 25 VAL HG12 H 1 0.89 0.02 . 2 . . . A 29 VAL HG12 . 19550 1 297 . 1 1 25 25 VAL HG13 H 1 0.89 0.02 . 2 . . . A 29 VAL HG13 . 19550 1 298 . 1 1 25 25 VAL HG21 H 1 0.74 0.02 . 2 . . . A 29 VAL HG21 . 19550 1 299 . 1 1 25 25 VAL HG22 H 1 0.74 0.02 . 2 . . . A 29 VAL HG22 . 19550 1 300 . 1 1 25 25 VAL HG23 H 1 0.74 0.02 . 2 . . . A 29 VAL HG23 . 19550 1 301 . 1 1 25 25 VAL C C 13 175.55 0.25 . 1 . . . A 29 VAL C . 19550 1 302 . 1 1 25 25 VAL CA C 13 62.17 0.25 . 1 . . . A 29 VAL CA . 19550 1 303 . 1 1 25 25 VAL CB C 13 33.38 0.25 . 1 . . . A 29 VAL CB . 19550 1 304 . 1 1 25 25 VAL CG1 C 13 21.72 0.25 . 2 . . . A 29 VAL CG1 . 19550 1 305 . 1 1 25 25 VAL CG2 C 13 19.92 0.25 . 2 . . . A 29 VAL CG2 . 19550 1 306 . 1 1 25 25 VAL N N 15 126.20 0.15 . 1 . . . A 29 VAL N . 19550 1 307 . 1 1 26 26 ALA H H 1 7.66 0.02 . 1 . . . A 30 ALA H . 19550 1 308 . 1 1 26 26 ALA HA H 1 4.32 0.02 . 1 . . . A 30 ALA HA . 19550 1 309 . 1 1 26 26 ALA HB1 H 1 1.29 0.02 . 1 . . . A 30 ALA HB1 . 19550 1 310 . 1 1 26 26 ALA HB2 H 1 1.29 0.02 . 1 . . . A 30 ALA HB2 . 19550 1 311 . 1 1 26 26 ALA HB3 H 1 1.29 0.02 . 1 . . . A 30 ALA HB3 . 19550 1 312 . 1 1 26 26 ALA C C 13 174.32 0.25 . 1 . . . A 30 ALA C . 19550 1 313 . 1 1 26 26 ALA CA C 13 52.55 0.25 . 1 . . . A 30 ALA CA . 19550 1 314 . 1 1 26 26 ALA CB C 13 21.89 0.25 . 1 . . . A 30 ALA CB . 19550 1 315 . 1 1 26 26 ALA N N 15 121.34 0.15 . 1 . . . A 30 ALA N . 19550 1 316 . 1 1 27 27 ILE H H 1 8.46 0.02 . 1 . . . A 31 ILE H . 19550 1 317 . 1 1 27 27 ILE HA H 1 4.27 0.02 . 1 . . . A 31 ILE HA . 19550 1 318 . 1 1 27 27 ILE HB H 1 1.45 0.02 . 1 . . . A 31 ILE HB . 19550 1 319 . 1 1 27 27 ILE HG12 H 1 1.18 0.02 . 2 . . . A 31 ILE HG12 . 19550 1 320 . 1 1 27 27 ILE HG13 H 1 0.67 0.02 . 2 . . . A 31 ILE HG13 . 19550 1 321 . 1 1 27 27 ILE HG21 H 1 0.65 0.02 . 1 . . . A 31 ILE HG21 . 19550 1 322 . 1 1 27 27 ILE HG22 H 1 0.65 0.02 . 1 . . . A 31 ILE HG22 . 19550 1 323 . 1 1 27 27 ILE HG23 H 1 0.65 0.02 . 1 . . . A 31 ILE HG23 . 19550 1 324 . 1 1 27 27 ILE HD11 H 1 0.59 0.02 . 1 . . . A 31 ILE HD11 . 19550 1 325 . 1 1 27 27 ILE HD12 H 1 0.59 0.02 . 1 . . . A 31 ILE HD12 . 19550 1 326 . 1 1 27 27 ILE HD13 H 1 0.59 0.02 . 1 . . . A 31 ILE HD13 . 19550 1 327 . 1 1 27 27 ILE C C 13 174.30 0.25 . 1 . . . A 31 ILE C . 19550 1 328 . 1 1 27 27 ILE CA C 13 61.59 0.25 . 1 . . . A 31 ILE CA . 19550 1 329 . 1 1 27 27 ILE CB C 13 41.24 0.25 . 1 . . . A 31 ILE CB . 19550 1 330 . 1 1 27 27 ILE CG1 C 13 28.08 0.25 . 1 . . . A 31 ILE CG1 . 19550 1 331 . 1 1 27 27 ILE CG2 C 13 17.63 0.25 . 1 . . . A 31 ILE CG2 . 19550 1 332 . 1 1 27 27 ILE CD1 C 13 14.73 0.25 . 1 . . . A 31 ILE CD1 . 19550 1 333 . 1 1 27 27 ILE N N 15 120.29 0.15 . 1 . . . A 31 ILE N . 19550 1 334 . 1 1 28 28 ASP H H 1 8.51 0.02 . 1 . . . A 32 ASP H . 19550 1 335 . 1 1 28 28 ASP HA H 1 4.72 0.02 . 1 . . . A 32 ASP HA . 19550 1 336 . 1 1 28 28 ASP HB2 H 1 2.56 0.02 . 2 . . . A 32 ASP HB2 . 19550 1 337 . 1 1 28 28 ASP HB3 H 1 2.64 0.02 . 2 . . . A 32 ASP HB3 . 19550 1 338 . 1 1 28 28 ASP C C 13 174.71 0.25 . 1 . . . A 32 ASP C . 19550 1 339 . 1 1 28 28 ASP CA C 13 52.70 0.25 . 1 . . . A 32 ASP CA . 19550 1 340 . 1 1 28 28 ASP CB C 13 42.87 0.25 . 1 . . . A 32 ASP CB . 19550 1 341 . 1 1 28 28 ASP N N 15 128.13 0.15 . 1 . . . A 32 ASP N . 19550 1 342 . 1 1 29 29 LYS H H 1 8.44 0.02 . 1 . . . A 33 LYS H . 19550 1 343 . 1 1 29 29 LYS HA H 1 3.75 0.02 . 1 . . . A 33 LYS HA . 19550 1 344 . 1 1 29 29 LYS HB2 H 1 1.80 0.02 . 2 . . . A 33 LYS HB2 . 19550 1 345 . 1 1 29 29 LYS HB3 H 1 1.69 0.02 . 2 . . . A 33 LYS HB3 . 19550 1 346 . 1 1 29 29 LYS HG2 H 1 1.36 0.02 . 2 . . . A 33 LYS HG2 . 19550 1 347 . 1 1 29 29 LYS HG3 H 1 1.28 0.02 . 2 . . . A 33 LYS HG3 . 19550 1 348 . 1 1 29 29 LYS HD2 H 1 1.56 0.02 . 2 . . . A 33 LYS HD2 . 19550 1 349 . 1 1 29 29 LYS HD3 H 1 1.59 0.02 . 2 . . . A 33 LYS HD3 . 19550 1 350 . 1 1 29 29 LYS HE2 H 1 2.91 0.02 . 2 . . . A 33 LYS HE2 . 19550 1 351 . 1 1 29 29 LYS HE3 H 1 2.90 0.02 . 2 . . . A 33 LYS HE3 . 19550 1 352 . 1 1 29 29 LYS C C 13 175.87 0.25 . 1 . . . A 33 LYS C . 19550 1 353 . 1 1 29 29 LYS CA C 13 58.74 0.25 . 1 . . . A 33 LYS CA . 19550 1 354 . 1 1 29 29 LYS CB C 13 31.00 0.25 . 1 . . . A 33 LYS CB . 19550 1 355 . 1 1 29 29 LYS CG C 13 24.42 0.25 . 1 . . . A 33 LYS CG . 19550 1 356 . 1 1 29 29 LYS CD C 13 29.00 0.25 . 1 . . . A 33 LYS CD . 19550 1 357 . 1 1 29 29 LYS CE C 13 41.80 0.25 . 1 . . . A 33 LYS CE . 19550 1 358 . 1 1 29 29 LYS N N 15 118.56 0.15 . 1 . . . A 33 LYS N . 19550 1 359 . 1 1 30 30 ASP H H 1 8.60 0.02 . 1 . . . A 34 ASP H . 19550 1 360 . 1 1 30 30 ASP HA H 1 4.68 0.02 . 1 . . . A 34 ASP HA . 19550 1 361 . 1 1 30 30 ASP HB2 H 1 2.64 0.02 . 2 . . . A 34 ASP HB2 . 19550 1 362 . 1 1 30 30 ASP HB3 H 1 2.74 0.02 . 2 . . . A 34 ASP HB3 . 19550 1 363 . 1 1 30 30 ASP C C 13 176.48 0.25 . 1 . . . A 34 ASP C . 19550 1 364 . 1 1 30 30 ASP CA C 13 55.13 0.25 . 1 . . . A 34 ASP CA . 19550 1 365 . 1 1 30 30 ASP CB C 13 42.05 0.25 . 1 . . . A 34 ASP CB . 19550 1 366 . 1 1 30 30 ASP N N 15 116.03 0.15 . 1 . . . A 34 ASP N . 19550 1 367 . 1 1 31 31 VAL H H 1 8.10 0.02 . 1 . . . A 35 VAL H . 19550 1 368 . 1 1 31 31 VAL HA H 1 4.56 0.02 . 1 . . . A 35 VAL HA . 19550 1 369 . 1 1 31 31 VAL HB H 1 1.82 0.02 . 1 . . . A 35 VAL HB . 19550 1 370 . 1 1 31 31 VAL HG11 H 1 0.69 0.02 . 2 . . . A 35 VAL HG11 . 19550 1 371 . 1 1 31 31 VAL HG12 H 1 0.69 0.02 . 2 . . . A 35 VAL HG12 . 19550 1 372 . 1 1 31 31 VAL HG13 H 1 0.69 0.02 . 2 . . . A 35 VAL HG13 . 19550 1 373 . 1 1 31 31 VAL HG21 H 1 0.74 0.02 . 2 . . . A 35 VAL HG21 . 19550 1 374 . 1 1 31 31 VAL HG22 H 1 0.74 0.02 . 2 . . . A 35 VAL HG22 . 19550 1 375 . 1 1 31 31 VAL HG23 H 1 0.74 0.02 . 2 . . . A 35 VAL HG23 . 19550 1 376 . 1 1 31 31 VAL C C 13 172.73 0.25 . 1 . . . A 35 VAL C . 19550 1 377 . 1 1 31 31 VAL CA C 13 61.16 0.25 . 1 . . . A 35 VAL CA . 19550 1 378 . 1 1 31 31 VAL CB C 13 36.15 0.25 . 1 . . . A 35 VAL CB . 19550 1 379 . 1 1 31 31 VAL CG1 C 13 21.64 0.25 . 2 . . . A 35 VAL CG1 . 19550 1 380 . 1 1 31 31 VAL CG2 C 13 20.53 0.25 . 2 . . . A 35 VAL CG2 . 19550 1 381 . 1 1 31 31 VAL N N 15 120.74 0.15 . 1 . . . A 35 VAL N . 19550 1 382 . 1 1 32 32 VAL H H 1 9.04 0.02 . 1 . . . A 36 VAL H . 19550 1 383 . 1 1 32 32 VAL HA H 1 4.18 0.02 . 1 . . . A 36 VAL HA . 19550 1 384 . 1 1 32 32 VAL HB H 1 1.82 0.02 . 1 . . . A 36 VAL HB . 19550 1 385 . 1 1 32 32 VAL HG11 H 1 0.68 0.02 . 2 . . . A 36 VAL HG11 . 19550 1 386 . 1 1 32 32 VAL HG12 H 1 0.68 0.02 . 2 . . . A 36 VAL HG12 . 19550 1 387 . 1 1 32 32 VAL HG13 H 1 0.68 0.02 . 2 . . . A 36 VAL HG13 . 19550 1 388 . 1 1 32 32 VAL HG21 H 1 0.42 0.02 . 2 . . . A 36 VAL HG21 . 19550 1 389 . 1 1 32 32 VAL HG22 H 1 0.42 0.02 . 2 . . . A 36 VAL HG22 . 19550 1 390 . 1 1 32 32 VAL HG23 H 1 0.42 0.02 . 2 . . . A 36 VAL HG23 . 19550 1 391 . 1 1 32 32 VAL C C 13 174.08 0.25 . 1 . . . A 36 VAL C . 19550 1 392 . 1 1 32 32 VAL CA C 13 61.01 0.25 . 1 . . . A 36 VAL CA . 19550 1 393 . 1 1 32 32 VAL CB C 13 33.60 0.25 . 1 . . . A 36 VAL CB . 19550 1 394 . 1 1 32 32 VAL CG1 C 13 21.49 0.25 . 2 . . . A 36 VAL CG1 . 19550 1 395 . 1 1 32 32 VAL CG2 C 13 21.76 0.25 . 2 . . . A 36 VAL CG2 . 19550 1 396 . 1 1 32 32 VAL N N 15 125.41 0.15 . 1 . . . A 36 VAL N . 19550 1 397 . 1 1 33 33 LEU H H 1 8.68 0.02 . 1 . . . A 37 LEU H . 19550 1 398 . 1 1 33 33 LEU HA H 1 5.07 0.02 . 1 . . . A 37 LEU HA . 19550 1 399 . 1 1 33 33 LEU HB2 H 1 1.14 0.02 . 2 . . . A 37 LEU HB2 . 19550 1 400 . 1 1 33 33 LEU HB3 H 1 1.50 0.02 . 2 . . . A 37 LEU HB3 . 19550 1 401 . 1 1 33 33 LEU HG H 1 1.36 0.02 . 1 . . . A 37 LEU HG . 19550 1 402 . 1 1 33 33 LEU HD11 H 1 0.66 0.02 . 2 . . . A 37 LEU HD11 . 19550 1 403 . 1 1 33 33 LEU HD12 H 1 0.66 0.02 . 2 . . . A 37 LEU HD12 . 19550 1 404 . 1 1 33 33 LEU HD13 H 1 0.66 0.02 . 2 . . . A 37 LEU HD13 . 19550 1 405 . 1 1 33 33 LEU HD21 H 1 0.63 0.02 . 2 . . . A 37 LEU HD21 . 19550 1 406 . 1 1 33 33 LEU HD22 H 1 0.63 0.02 . 2 . . . A 37 LEU HD22 . 19550 1 407 . 1 1 33 33 LEU HD23 H 1 0.63 0.02 . 2 . . . A 37 LEU HD23 . 19550 1 408 . 1 1 33 33 LEU C C 13 176.57 0.25 . 1 . . . A 37 LEU C . 19550 1 409 . 1 1 33 33 LEU CA C 13 53.29 0.25 . 1 . . . A 37 LEU CA . 19550 1 410 . 1 1 33 33 LEU CB C 13 43.09 0.25 . 1 . . . A 37 LEU CB . 19550 1 411 . 1 1 33 33 LEU CG C 13 27.00 0.25 . 1 . . . A 37 LEU CG . 19550 1 412 . 1 1 33 33 LEU CD1 C 13 24.28 0.25 . 2 . . . A 37 LEU CD1 . 19550 1 413 . 1 1 33 33 LEU CD2 C 13 23.75 0.25 . 2 . . . A 37 LEU CD2 . 19550 1 414 . 1 1 33 33 LEU N N 15 127.34 0.15 . 1 . . . A 37 LEU N . 19550 1 415 . 1 1 34 34 VAL H H 1 9.11 0.02 . 1 . . . A 38 VAL H . 19550 1 416 . 1 1 34 34 VAL HA H 1 4.65 0.02 . 1 . . . A 38 VAL HA . 19550 1 417 . 1 1 34 34 VAL HB H 1 1.67 0.02 . 1 . . . A 38 VAL HB . 19550 1 418 . 1 1 34 34 VAL HG11 H 1 0.51 0.02 . 2 . . . A 38 VAL HG11 . 19550 1 419 . 1 1 34 34 VAL HG12 H 1 0.51 0.02 . 2 . . . A 38 VAL HG12 . 19550 1 420 . 1 1 34 34 VAL HG13 H 1 0.51 0.02 . 2 . . . A 38 VAL HG13 . 19550 1 421 . 1 1 34 34 VAL HG21 H 1 0.66 0.02 . 2 . . . A 38 VAL HG21 . 19550 1 422 . 1 1 34 34 VAL HG22 H 1 0.66 0.02 . 2 . . . A 38 VAL HG22 . 19550 1 423 . 1 1 34 34 VAL HG23 H 1 0.66 0.02 . 2 . . . A 38 VAL HG23 . 19550 1 424 . 1 1 34 34 VAL C C 13 174.40 0.25 . 1 . . . A 38 VAL C . 19550 1 425 . 1 1 34 34 VAL CA C 13 59.90 0.25 . 1 . . . A 38 VAL CA . 19550 1 426 . 1 1 34 34 VAL CB C 13 35.48 0.25 . 1 . . . A 38 VAL CB . 19550 1 427 . 1 1 34 34 VAL CG1 C 13 21.13 0.25 . 2 . . . A 38 VAL CG1 . 19550 1 428 . 1 1 34 34 VAL CG2 C 13 21.83 0.25 . 2 . . . A 38 VAL CG2 . 19550 1 429 . 1 1 34 34 VAL N N 15 123.16 0.15 . 1 . . . A 38 VAL N . 19550 1 430 . 1 1 35 35 ASP H H 1 9.13 0.02 . 1 . . . A 39 ASP H . 19550 1 431 . 1 1 35 35 ASP HA H 1 4.86 0.02 . 1 . . . A 39 ASP HA . 19550 1 432 . 1 1 35 35 ASP HB2 H 1 2.47 0.02 . 2 . . . A 39 ASP HB2 . 19550 1 433 . 1 1 35 35 ASP HB3 H 1 2.83 0.02 . 2 . . . A 39 ASP HB3 . 19550 1 434 . 1 1 35 35 ASP C C 13 175.67 0.25 . 1 . . . A 39 ASP C . 19550 1 435 . 1 1 35 35 ASP CA C 13 52.67 0.25 . 1 . . . A 39 ASP CA . 19550 1 436 . 1 1 35 35 ASP CB C 13 41.18 0.25 . 1 . . . A 39 ASP CB . 19550 1 437 . 1 1 35 35 ASP N N 15 124.80 0.15 . 1 . . . A 39 ASP N . 19550 1 438 . 1 1 36 36 ALA H H 1 9.20 0.02 . 1 . . . A 40 ALA H . 19550 1 439 . 1 1 36 36 ALA HA H 1 4.72 0.02 . 1 . . . A 40 ALA HA . 19550 1 440 . 1 1 36 36 ALA HB1 H 1 1.13 0.02 . 1 . . . A 40 ALA HB1 . 19550 1 441 . 1 1 36 36 ALA HB2 H 1 1.13 0.02 . 1 . . . A 40 ALA HB2 . 19550 1 442 . 1 1 36 36 ALA HB3 H 1 1.13 0.02 . 1 . . . A 40 ALA HB3 . 19550 1 443 . 1 1 36 36 ALA C C 13 176.36 0.25 . 1 . . . A 40 ALA C . 19550 1 444 . 1 1 36 36 ALA CA C 13 50.27 0.25 . 1 . . . A 40 ALA CA . 19550 1 445 . 1 1 36 36 ALA CB C 13 19.18 0.25 . 1 . . . A 40 ALA CB . 19550 1 446 . 1 1 36 36 ALA N N 15 131.90 0.15 . 1 . . . A 40 ALA N . 19550 1 447 . 1 1 37 37 GLY H H 1 8.48 0.02 . 1 . . . A 41 GLY H . 19550 1 448 . 1 1 37 37 GLY HA2 H 1 3.74 0.02 . 2 . . . A 41 GLY HA2 . 19550 1 449 . 1 1 37 37 GLY HA3 H 1 4.00 0.02 . 2 . . . A 41 GLY HA3 . 19550 1 450 . 1 1 37 37 GLY C C 13 174.91 0.25 . 1 . . . A 41 GLY C . 19550 1 451 . 1 1 37 37 GLY CA C 13 45.82 0.25 . 1 . . . A 41 GLY CA . 19550 1 452 . 1 1 37 37 GLY N N 15 106.92 0.15 . 1 . . . A 41 GLY N . 19550 1 453 . 1 1 38 38 LEU H H 1 7.53 0.02 . 1 . . . A 42 LEU H . 19550 1 454 . 1 1 38 38 LEU HA H 1 4.47 0.02 . 1 . . . A 42 LEU HA . 19550 1 455 . 1 1 38 38 LEU HB2 H 1 1.91 0.02 . 2 . . . A 42 LEU HB2 . 19550 1 456 . 1 1 38 38 LEU HB3 H 1 1.70 0.02 . 2 . . . A 42 LEU HB3 . 19550 1 457 . 1 1 38 38 LEU HG H 1 1.42 0.02 . 1 . . . A 42 LEU HG . 19550 1 458 . 1 1 38 38 LEU HD11 H 1 0.79 0.02 . 2 . . . A 42 LEU HD11 . 19550 1 459 . 1 1 38 38 LEU HD12 H 1 0.79 0.02 . 2 . . . A 42 LEU HD12 . 19550 1 460 . 1 1 38 38 LEU HD13 H 1 0.79 0.02 . 2 . . . A 42 LEU HD13 . 19550 1 461 . 1 1 38 38 LEU HD21 H 1 0.72 0.02 . 2 . . . A 42 LEU HD21 . 19550 1 462 . 1 1 38 38 LEU HD22 H 1 0.72 0.02 . 2 . . . A 42 LEU HD22 . 19550 1 463 . 1 1 38 38 LEU HD23 H 1 0.72 0.02 . 2 . . . A 42 LEU HD23 . 19550 1 464 . 1 1 38 38 LEU C C 13 177.12 0.25 . 1 . . . A 42 LEU C . 19550 1 465 . 1 1 38 38 LEU CA C 13 53.80 0.25 . 1 . . . A 42 LEU CA . 19550 1 466 . 1 1 38 38 LEU CB C 13 41.04 0.25 . 1 . . . A 42 LEU CB . 19550 1 467 . 1 1 38 38 LEU CG C 13 27.28 0.25 . 1 . . . A 42 LEU CG . 19550 1 468 . 1 1 38 38 LEU CD1 C 13 25.35 0.25 . 2 . . . A 42 LEU CD1 . 19550 1 469 . 1 1 38 38 LEU CD2 C 13 22.34 0.25 . 2 . . . A 42 LEU CD2 . 19550 1 470 . 1 1 38 38 LEU N N 15 119.14 0.15 . 1 . . . A 42 LEU N . 19550 1 471 . 1 1 39 39 LYS H H 1 8.36 0.02 . 1 . . . A 43 LYS H . 19550 1 472 . 1 1 39 39 LYS HA H 1 3.90 0.02 . 1 . . . A 43 LYS HA . 19550 1 473 . 1 1 39 39 LYS HB2 H 1 1.76 0.02 . 2 . . . A 43 LYS HB2 . 19550 1 474 . 1 1 39 39 LYS HB3 H 1 1.77 0.02 . 2 . . . A 43 LYS HB3 . 19550 1 475 . 1 1 39 39 LYS HG2 H 1 1.33 0.02 . 2 . . . A 43 LYS HG2 . 19550 1 476 . 1 1 39 39 LYS HG3 H 1 1.37 0.02 . 2 . . . A 43 LYS HG3 . 19550 1 477 . 1 1 39 39 LYS HD2 H 1 1.57 0.02 . 2 . . . A 43 LYS HD2 . 19550 1 478 . 1 1 39 39 LYS HD3 H 1 1.58 0.02 . 2 . . . A 43 LYS HD3 . 19550 1 479 . 1 1 39 39 LYS HE2 H 1 2.87 0.02 . 2 . . . A 43 LYS HE2 . 19550 1 480 . 1 1 39 39 LYS HE3 H 1 2.87 0.02 . 2 . . . A 43 LYS HE3 . 19550 1 481 . 1 1 39 39 LYS C C 13 176.33 0.25 . 1 . . . A 43 LYS C . 19550 1 482 . 1 1 39 39 LYS CA C 13 58.66 0.25 . 1 . . . A 43 LYS CA . 19550 1 483 . 1 1 39 39 LYS CB C 13 31.77 0.25 . 1 . . . A 43 LYS CB . 19550 1 484 . 1 1 39 39 LYS CG C 13 24.85 0.25 . 1 . . . A 43 LYS CG . 19550 1 485 . 1 1 39 39 LYS CD C 13 28.83 0.25 . 1 . . . A 43 LYS CD . 19550 1 486 . 1 1 39 39 LYS CE C 13 41.80 0.25 . 1 . . . A 43 LYS CE . 19550 1 487 . 1 1 39 39 LYS N N 15 118.93 0.15 . 1 . . . A 43 LYS N . 19550 1 488 . 1 1 40 40 SER H H 1 7.41 0.02 . 1 . . . A 44 SER H . 19550 1 489 . 1 1 40 40 SER HA H 1 4.48 0.02 . 1 . . . A 44 SER HA . 19550 1 490 . 1 1 40 40 SER HB2 H 1 3.67 0.02 . 2 . . . A 44 SER HB2 . 19550 1 491 . 1 1 40 40 SER HB3 H 1 3.62 0.02 . 2 . . . A 44 SER HB3 . 19550 1 492 . 1 1 40 40 SER C C 13 173.60 0.25 . 1 . . . A 44 SER C . 19550 1 493 . 1 1 40 40 SER CA C 13 56.48 0.25 . 1 . . . A 44 SER CA . 19550 1 494 . 1 1 40 40 SER CB C 13 65.01 0.25 . 1 . . . A 44 SER CB . 19550 1 495 . 1 1 40 40 SER N N 15 110.66 0.15 . 1 . . . A 44 SER N . 19550 1 496 . 1 1 41 41 GLU H H 1 8.82 0.02 . 1 . . . A 45 GLU H . 19550 1 497 . 1 1 41 41 GLU HA H 1 4.29 0.02 . 1 . . . A 45 GLU HA . 19550 1 498 . 1 1 41 41 GLU HB2 H 1 1.80 0.02 . 2 . . . A 45 GLU HB2 . 19550 1 499 . 1 1 41 41 GLU HB3 H 1 1.63 0.02 . 2 . . . A 45 GLU HB3 . 19550 1 500 . 1 1 41 41 GLU HG2 H 1 2.08 0.02 . 2 . . . A 45 GLU HG2 . 19550 1 501 . 1 1 41 41 GLU HG3 H 1 2.10 0.02 . 2 . . . A 45 GLU HG3 . 19550 1 502 . 1 1 41 41 GLU C C 13 176.43 0.25 . 1 . . . A 45 GLU C . 19550 1 503 . 1 1 41 41 GLU CA C 13 57.71 0.25 . 1 . . . A 45 GLU CA . 19550 1 504 . 1 1 41 41 GLU CB C 13 29.65 0.25 . 1 . . . A 45 GLU CB . 19550 1 505 . 1 1 41 41 GLU CG C 13 36.71 0.25 . 1 . . . A 45 GLU CG . 19550 1 506 . 1 1 41 41 GLU N N 15 122.63 0.15 . 1 . . . A 45 GLU N . 19550 1 507 . 1 1 42 42 SER H H 1 9.00 0.02 . 1 . . . A 46 SER H . 19550 1 508 . 1 1 42 42 SER HA H 1 4.53 0.02 . 1 . . . A 46 SER HA . 19550 1 509 . 1 1 42 42 SER HB2 H 1 3.49 0.02 . 2 . . . A 46 SER HB2 . 19550 1 510 . 1 1 42 42 SER HB3 H 1 3.67 0.02 . 2 . . . A 46 SER HB3 . 19550 1 511 . 1 1 42 42 SER C C 13 172.07 0.25 . 1 . . . A 46 SER C . 19550 1 512 . 1 1 42 42 SER CA C 13 58.46 0.25 . 1 . . . A 46 SER CA . 19550 1 513 . 1 1 42 42 SER CB C 13 64.56 0.25 . 1 . . . A 46 SER CB . 19550 1 514 . 1 1 42 42 SER N N 15 119.37 0.15 . 1 . . . A 46 SER N . 19550 1 515 . 1 1 43 43 ALA H H 1 8.53 0.02 . 1 . . . A 47 ALA H . 19550 1 516 . 1 1 43 43 ALA HA H 1 4.82 0.02 . 1 . . . A 47 ALA HA . 19550 1 517 . 1 1 43 43 ALA HB1 H 1 1.13 0.02 . 1 . . . A 47 ALA HB1 . 19550 1 518 . 1 1 43 43 ALA HB2 H 1 1.13 0.02 . 1 . . . A 47 ALA HB2 . 19550 1 519 . 1 1 43 43 ALA HB3 H 1 1.13 0.02 . 1 . . . A 47 ALA HB3 . 19550 1 520 . 1 1 43 43 ALA C C 13 176.14 0.25 . 1 . . . A 47 ALA C . 19550 1 521 . 1 1 43 43 ALA CA C 13 50.89 0.25 . 1 . . . A 47 ALA CA . 19550 1 522 . 1 1 43 43 ALA CB C 13 19.56 0.25 . 1 . . . A 47 ALA CB . 19550 1 523 . 1 1 43 43 ALA N N 15 128.62 0.15 . 1 . . . A 47 ALA N . 19550 1 524 . 1 1 44 44 ILE H H 1 9.18 0.02 . 1 . . . A 48 ILE H . 19550 1 525 . 1 1 44 44 ILE HA H 1 4.65 0.02 . 1 . . . A 48 ILE HA . 19550 1 526 . 1 1 44 44 ILE HB H 1 1.90 0.02 . 1 . . . A 48 ILE HB . 19550 1 527 . 1 1 44 44 ILE HG12 H 1 1.42 0.02 . 2 . . . A 48 ILE HG12 . 19550 1 528 . 1 1 44 44 ILE HG13 H 1 1.18 0.02 . 2 . . . A 48 ILE HG13 . 19550 1 529 . 1 1 44 44 ILE HG21 H 1 0.92 0.02 . 1 . . . A 48 ILE HG21 . 19550 1 530 . 1 1 44 44 ILE HG22 H 1 0.92 0.02 . 1 . . . A 48 ILE HG22 . 19550 1 531 . 1 1 44 44 ILE HG23 H 1 0.92 0.02 . 1 . . . A 48 ILE HG23 . 19550 1 532 . 1 1 44 44 ILE HD11 H 1 0.72 0.02 . 1 . . . A 48 ILE HD11 . 19550 1 533 . 1 1 44 44 ILE HD12 H 1 0.72 0.02 . 1 . . . A 48 ILE HD12 . 19550 1 534 . 1 1 44 44 ILE HD13 H 1 0.72 0.02 . 1 . . . A 48 ILE HD13 . 19550 1 535 . 1 1 44 44 ILE C C 13 173.37 0.25 . 1 . . . A 48 ILE C . 19550 1 536 . 1 1 44 44 ILE CA C 13 57.40 0.25 . 1 . . . A 48 ILE CA . 19550 1 537 . 1 1 44 44 ILE CB C 13 40.92 0.25 . 1 . . . A 48 ILE CB . 19550 1 538 . 1 1 44 44 ILE CG1 C 13 27.07 0.25 . 1 . . . A 48 ILE CG1 . 19550 1 539 . 1 1 44 44 ILE CG2 C 13 17.66 0.25 . 1 . . . A 48 ILE CG2 . 19550 1 540 . 1 1 44 44 ILE CD1 C 13 13.52 0.25 . 1 . . . A 48 ILE CD1 . 19550 1 541 . 1 1 44 44 ILE N N 15 125.70 0.15 . 1 . . . A 48 ILE N . 19550 1 542 . 1 1 45 45 PRO HA H 1 4.45 0.02 . 1 . . . A 49 PRO HA . 19550 1 543 . 1 1 45 45 PRO HB2 H 1 1.91 0.02 . 2 . . . A 49 PRO HB2 . 19550 1 544 . 1 1 45 45 PRO HB3 H 1 2.47 0.02 . 2 . . . A 49 PRO HB3 . 19550 1 545 . 1 1 45 45 PRO HG2 H 1 2.08 0.02 . 2 . . . A 49 PRO HG2 . 19550 1 546 . 1 1 45 45 PRO HG3 H 1 1.89 0.02 . 2 . . . A 49 PRO HG3 . 19550 1 547 . 1 1 45 45 PRO HD2 H 1 3.83 0.02 . 2 . . . A 49 PRO HD2 . 19550 1 548 . 1 1 45 45 PRO HD3 H 1 3.57 0.02 . 2 . . . A 49 PRO HD3 . 19550 1 549 . 1 1 45 45 PRO C C 13 177.59 0.25 . 1 . . . A 49 PRO C . 19550 1 550 . 1 1 45 45 PRO CA C 13 63.86 0.25 . 1 . . . A 49 PRO CA . 19550 1 551 . 1 1 45 45 PRO CB C 13 32.54 0.25 . 1 . . . A 49 PRO CB . 19550 1 552 . 1 1 45 45 PRO CG C 13 27.91 0.25 . 1 . . . A 49 PRO CG . 19550 1 553 . 1 1 45 45 PRO CD C 13 51.17 0.25 . 1 . . . A 49 PRO CD . 19550 1 554 . 1 1 46 46 ALA H H 1 8.24 0.02 . 1 . . . A 50 ALA H . 19550 1 555 . 1 1 46 46 ALA HA H 1 3.97 0.02 . 1 . . . A 50 ALA HA . 19550 1 556 . 1 1 46 46 ALA HB1 H 1 1.18 0.02 . 1 . . . A 50 ALA HB1 . 19550 1 557 . 1 1 46 46 ALA HB2 H 1 1.18 0.02 . 1 . . . A 50 ALA HB2 . 19550 1 558 . 1 1 46 46 ALA HB3 H 1 1.18 0.02 . 1 . . . A 50 ALA HB3 . 19550 1 559 . 1 1 46 46 ALA C C 13 178.89 0.25 . 1 . . . A 50 ALA C . 19550 1 560 . 1 1 46 46 ALA CA C 13 54.79 0.25 . 1 . . . A 50 ALA CA . 19550 1 561 . 1 1 46 46 ALA CB C 13 17.96 0.25 . 1 . . . A 50 ALA CB . 19550 1 562 . 1 1 46 46 ALA N N 15 125.83 0.15 . 1 . . . A 50 ALA N . 19550 1 563 . 1 1 47 47 GLU H H 1 8.57 0.02 . 1 . . . A 51 GLU H . 19550 1 564 . 1 1 47 47 GLU HA H 1 3.69 0.02 . 1 . . . A 51 GLU HA . 19550 1 565 . 1 1 47 47 GLU HB2 H 1 2.02 0.02 . 2 . . . A 51 GLU HB2 . 19550 1 566 . 1 1 47 47 GLU HB3 H 1 1.91 0.02 . 2 . . . A 51 GLU HB3 . 19550 1 567 . 1 1 47 47 GLU HG2 H 1 2.16 0.02 . 2 . . . A 51 GLU HG2 . 19550 1 568 . 1 1 47 47 GLU HG3 H 1 2.21 0.02 . 2 . . . A 51 GLU HG3 . 19550 1 569 . 1 1 47 47 GLU C C 13 177.81 0.25 . 1 . . . A 51 GLU C . 19550 1 570 . 1 1 47 47 GLU CA C 13 59.07 0.25 . 1 . . . A 51 GLU CA . 19550 1 571 . 1 1 47 47 GLU CB C 13 29.00 0.25 . 1 . . . A 51 GLU CB . 19550 1 572 . 1 1 47 47 GLU CG C 13 35.42 0.25 . 1 . . . A 51 GLU CG . 19550 1 573 . 1 1 47 47 GLU N N 15 115.10 0.15 . 1 . . . A 51 GLU N . 19550 1 574 . 1 1 48 48 GLN H H 1 7.45 0.02 . 1 . . . A 52 GLN H . 19550 1 575 . 1 1 48 48 GLN HA H 1 3.88 0.02 . 1 . . . A 52 GLN HA . 19550 1 576 . 1 1 48 48 GLN HB2 H 1 1.69 0.02 . 2 . . . A 52 GLN HB2 . 19550 1 577 . 1 1 48 48 GLN HB3 H 1 1.56 0.02 . 2 . . . A 52 GLN HB3 . 19550 1 578 . 1 1 48 48 GLN HG2 H 1 1.93 0.02 . 2 . . . A 52 GLN HG2 . 19550 1 579 . 1 1 48 48 GLN HG3 H 1 1.90 0.02 . 2 . . . A 52 GLN HG3 . 19550 1 580 . 1 1 48 48 GLN HE21 H 1 7.31 0.02 . 1 . . . A 52 GLN HE21 . 19550 1 581 . 1 1 48 48 GLN HE22 H 1 6.72 0.02 . 1 . . . A 52 GLN HE22 . 19550 1 582 . 1 1 48 48 GLN C C 13 175.86 0.25 . 1 . . . A 52 GLN C . 19550 1 583 . 1 1 48 48 GLN CA C 13 57.54 0.25 . 1 . . . A 52 GLN CA . 19550 1 584 . 1 1 48 48 GLN CB C 13 27.89 0.25 . 1 . . . A 52 GLN CB . 19550 1 585 . 1 1 48 48 GLN CG C 13 33.45 0.25 . 1 . . . A 52 GLN CG . 19550 1 586 . 1 1 48 48 GLN N N 15 115.73 0.15 . 1 . . . A 52 GLN N . 19550 1 587 . 1 1 48 48 GLN NE2 N 15 111.08 0.15 . 1 . . . A 52 GLN NE2 . 19550 1 588 . 1 1 49 49 PHE H H 1 7.85 0.02 . 1 . . . A 53 PHE H . 19550 1 589 . 1 1 49 49 PHE HA H 1 4.68 0.02 . 1 . . . A 53 PHE HA . 19550 1 590 . 1 1 49 49 PHE HB2 H 1 3.39 0.02 . 2 . . . A 53 PHE HB2 . 19550 1 591 . 1 1 49 49 PHE HB3 H 1 2.56 0.02 . 2 . . . A 53 PHE HB3 . 19550 1 592 . 1 1 49 49 PHE HD1 H 1 7.13 0.02 . 3 . . . A 53 PHE HD1 . 19550 1 593 . 1 1 49 49 PHE HD2 H 1 7.13 0.02 . 3 . . . A 53 PHE HD2 . 19550 1 594 . 1 1 49 49 PHE HE1 H 1 7.03 0.02 . 3 . . . A 53 PHE HE1 . 19550 1 595 . 1 1 49 49 PHE HE2 H 1 7.03 0.02 . 3 . . . A 53 PHE HE2 . 19550 1 596 . 1 1 49 49 PHE HZ H 1 6.85 0.02 . 1 . . . A 53 PHE HZ . 19550 1 597 . 1 1 49 49 PHE C C 13 174.66 0.25 . 1 . . . A 53 PHE C . 19550 1 598 . 1 1 49 49 PHE CA C 13 56.77 0.25 . 1 . . . A 53 PHE CA . 19550 1 599 . 1 1 49 49 PHE CB C 13 40.27 0.25 . 1 . . . A 53 PHE CB . 19550 1 600 . 1 1 49 49 PHE CD1 C 13 132.32 0.25 . 3 . . . A 53 PHE CD1 . 19550 1 601 . 1 1 49 49 PHE CD2 C 13 132.32 0.25 . 3 . . . A 53 PHE CD2 . 19550 1 602 . 1 1 49 49 PHE CE1 C 13 131.33 0.25 . 3 . . . A 53 PHE CE1 . 19550 1 603 . 1 1 49 49 PHE CE2 C 13 131.33 0.25 . 3 . . . A 53 PHE CE2 . 19550 1 604 . 1 1 49 49 PHE CZ C 13 128.58 0.25 . 1 . . . A 53 PHE CZ . 19550 1 605 . 1 1 49 49 PHE N N 15 115.73 0.15 . 1 . . . A 53 PHE N . 19550 1 606 . 1 1 50 50 LYS H H 1 7.01 0.02 . 1 . . . A 54 LYS H . 19550 1 607 . 1 1 50 50 LYS HA H 1 4.69 0.02 . 1 . . . A 54 LYS HA . 19550 1 608 . 1 1 50 50 LYS HB2 H 1 1.67 0.02 . 2 . . . A 54 LYS HB2 . 19550 1 609 . 1 1 50 50 LYS HB3 H 1 1.51 0.02 . 2 . . . A 54 LYS HB3 . 19550 1 610 . 1 1 50 50 LYS HG2 H 1 0.87 0.02 . 2 . . . A 54 LYS HG2 . 19550 1 611 . 1 1 50 50 LYS HG3 H 1 1.48 0.02 . 2 . . . A 54 LYS HG3 . 19550 1 612 . 1 1 50 50 LYS HD2 H 1 1.45 0.02 . 2 . . . A 54 LYS HD2 . 19550 1 613 . 1 1 50 50 LYS HD3 H 1 1.45 0.02 . 2 . . . A 54 LYS HD3 . 19550 1 614 . 1 1 50 50 LYS HE2 H 1 2.72 0.02 . 2 . . . A 54 LYS HE2 . 19550 1 615 . 1 1 50 50 LYS HE3 H 1 2.50 0.02 . 2 . . . A 54 LYS HE3 . 19550 1 616 . 1 1 50 50 LYS C C 13 176.78 0.25 . 1 . . . A 54 LYS C . 19550 1 617 . 1 1 50 50 LYS CA C 13 56.03 0.25 . 1 . . . A 54 LYS CA . 19550 1 618 . 1 1 50 50 LYS CB C 13 34.87 0.25 . 1 . . . A 54 LYS CB . 19550 1 619 . 1 1 50 50 LYS CG C 13 26.59 0.25 . 1 . . . A 54 LYS CG . 19550 1 620 . 1 1 50 50 LYS CD C 13 29.61 0.25 . 1 . . . A 54 LYS CD . 19550 1 621 . 1 1 50 50 LYS CE C 13 41.92 0.25 . 1 . . . A 54 LYS CE . 19550 1 622 . 1 1 50 50 LYS N N 15 119.70 0.15 . 1 . . . A 54 LYS N . 19550 1 623 . 1 1 51 51 ASN H H 1 8.54 0.02 . 1 . . . A 55 ASN H . 19550 1 624 . 1 1 51 51 ASN HA H 1 4.66 0.02 . 1 . . . A 55 ASN HA . 19550 1 625 . 1 1 51 51 ASN HB2 H 1 3.43 0.02 . 2 . . . A 55 ASN HB2 . 19550 1 626 . 1 1 51 51 ASN HB3 H 1 2.93 0.02 . 2 . . . A 55 ASN HB3 . 19550 1 627 . 1 1 51 51 ASN HD21 H 1 7.34 0.02 . 1 . . . A 55 ASN HD21 . 19550 1 628 . 1 1 51 51 ASN HD22 H 1 7.88 0.02 . 1 . . . A 55 ASN HD22 . 19550 1 629 . 1 1 51 51 ASN C C 13 177.61 0.25 . 1 . . . A 55 ASN C . 19550 1 630 . 1 1 51 51 ASN CA C 13 50.74 0.25 . 1 . . . A 55 ASN CA . 19550 1 631 . 1 1 51 51 ASN CB C 13 38.61 0.25 . 1 . . . A 55 ASN CB . 19550 1 632 . 1 1 51 51 ASN N N 15 120.16 0.15 . 1 . . . A 55 ASN N . 19550 1 633 . 1 1 51 51 ASN ND2 N 15 112.81 0.15 . 1 . . . A 55 ASN ND2 . 19550 1 634 . 1 1 52 52 ALA H H 1 8.43 0.02 . 1 . . . A 56 ALA H . 19550 1 635 . 1 1 52 52 ALA HA H 1 4.04 0.02 . 1 . . . A 56 ALA HA . 19550 1 636 . 1 1 52 52 ALA HB1 H 1 1.34 0.02 . 1 . . . A 56 ALA HB1 . 19550 1 637 . 1 1 52 52 ALA HB2 H 1 1.34 0.02 . 1 . . . A 56 ALA HB2 . 19550 1 638 . 1 1 52 52 ALA HB3 H 1 1.34 0.02 . 1 . . . A 56 ALA HB3 . 19550 1 639 . 1 1 52 52 ALA C C 13 178.55 0.25 . 1 . . . A 56 ALA C . 19550 1 640 . 1 1 52 52 ALA CA C 13 54.55 0.25 . 1 . . . A 56 ALA CA . 19550 1 641 . 1 1 52 52 ALA CB C 13 18.03 0.25 . 1 . . . A 56 ALA CB . 19550 1 642 . 1 1 52 52 ALA N N 15 120.71 0.15 . 1 . . . A 56 ALA N . 19550 1 643 . 1 1 53 53 GLN H H 1 7.59 0.02 . 1 . . . A 57 GLN H . 19550 1 644 . 1 1 53 53 GLN HA H 1 4.31 0.02 . 1 . . . A 57 GLN HA . 19550 1 645 . 1 1 53 53 GLN HB2 H 1 2.20 0.02 . 2 . . . A 57 GLN HB2 . 19550 1 646 . 1 1 53 53 GLN HB3 H 1 1.95 0.02 . 2 . . . A 57 GLN HB3 . 19550 1 647 . 1 1 53 53 GLN HG2 H 1 2.21 0.02 . 2 . . . A 57 GLN HG2 . 19550 1 648 . 1 1 53 53 GLN HG3 H 1 2.33 0.02 . 2 . . . A 57 GLN HG3 . 19550 1 649 . 1 1 53 53 GLN HE21 H 1 6.73 0.02 . 1 . . . A 57 GLN HE21 . 19550 1 650 . 1 1 53 53 GLN HE22 H 1 7.43 0.02 . 1 . . . A 57 GLN HE22 . 19550 1 651 . 1 1 53 53 GLN C C 13 176.09 0.25 . 1 . . . A 57 GLN C . 19550 1 652 . 1 1 53 53 GLN CA C 13 55.81 0.25 . 1 . . . A 57 GLN CA . 19550 1 653 . 1 1 53 53 GLN CB C 13 28.66 0.25 . 1 . . . A 57 GLN CB . 19550 1 654 . 1 1 53 53 GLN CG C 13 34.83 0.25 . 1 . . . A 57 GLN CG . 19550 1 655 . 1 1 53 53 GLN N N 15 114.93 0.15 . 1 . . . A 57 GLN N . 19550 1 656 . 1 1 53 53 GLN NE2 N 15 112.00 0.15 . 1 . . . A 57 GLN NE2 . 19550 1 657 . 1 1 54 54 GLY H H 1 8.16 0.02 . 1 . . . A 58 GLY H . 19550 1 658 . 1 1 54 54 GLY HA2 H 1 4.12 0.02 . 2 . . . A 58 GLY HA2 . 19550 1 659 . 1 1 54 54 GLY HA3 H 1 3.57 0.02 . 2 . . . A 58 GLY HA3 . 19550 1 660 . 1 1 54 54 GLY C C 13 173.64 0.25 . 1 . . . A 58 GLY C . 19550 1 661 . 1 1 54 54 GLY CA C 13 45.40 0.25 . 1 . . . A 58 GLY CA . 19550 1 662 . 1 1 54 54 GLY N N 15 107.91 0.15 . 1 . . . A 58 GLY N . 19550 1 663 . 1 1 55 55 GLU H H 1 7.72 0.02 . 1 . . . A 59 GLU H . 19550 1 664 . 1 1 55 55 GLU HA H 1 4.34 0.02 . 1 . . . A 59 GLU HA . 19550 1 665 . 1 1 55 55 GLU HB2 H 1 1.86 0.02 . 2 . . . A 59 GLU HB2 . 19550 1 666 . 1 1 55 55 GLU HB3 H 1 1.82 0.02 . 2 . . . A 59 GLU HB3 . 19550 1 667 . 1 1 55 55 GLU HG2 H 1 2.08 0.02 . 2 . . . A 59 GLU HG2 . 19550 1 668 . 1 1 55 55 GLU HG3 H 1 2.02 0.02 . 2 . . . A 59 GLU HG3 . 19550 1 669 . 1 1 55 55 GLU C C 13 175.79 0.25 . 1 . . . A 59 GLU C . 19550 1 670 . 1 1 55 55 GLU CA C 13 54.33 0.25 . 1 . . . A 59 GLU CA . 19550 1 671 . 1 1 55 55 GLU CB C 13 30.79 0.25 . 1 . . . A 59 GLU CB . 19550 1 672 . 1 1 55 55 GLU CG C 13 35.78 0.25 . 1 . . . A 59 GLU CG . 19550 1 673 . 1 1 55 55 GLU N N 15 119.72 0.15 . 1 . . . A 59 GLU N . 19550 1 674 . 1 1 56 56 LEU H H 1 8.71 0.02 . 1 . . . A 60 LEU H . 19550 1 675 . 1 1 56 56 LEU HA H 1 4.30 0.02 . 1 . . . A 60 LEU HA . 19550 1 676 . 1 1 56 56 LEU HB2 H 1 1.51 0.02 . 2 . . . A 60 LEU HB2 . 19550 1 677 . 1 1 56 56 LEU HB3 H 1 1.56 0.02 . 2 . . . A 60 LEU HB3 . 19550 1 678 . 1 1 56 56 LEU HG H 1 1.51 0.02 . 1 . . . A 60 LEU HG . 19550 1 679 . 1 1 56 56 LEU HD11 H 1 0.79 0.02 . 2 . . . A 60 LEU HD11 . 19550 1 680 . 1 1 56 56 LEU HD12 H 1 0.79 0.02 . 2 . . . A 60 LEU HD12 . 19550 1 681 . 1 1 56 56 LEU HD13 H 1 0.79 0.02 . 2 . . . A 60 LEU HD13 . 19550 1 682 . 1 1 56 56 LEU HD21 H 1 0.74 0.02 . 2 . . . A 60 LEU HD21 . 19550 1 683 . 1 1 56 56 LEU HD22 H 1 0.74 0.02 . 2 . . . A 60 LEU HD22 . 19550 1 684 . 1 1 56 56 LEU HD23 H 1 0.74 0.02 . 2 . . . A 60 LEU HD23 . 19550 1 685 . 1 1 56 56 LEU C C 13 177.67 0.25 . 1 . . . A 60 LEU C . 19550 1 686 . 1 1 56 56 LEU CA C 13 55.00 0.25 . 1 . . . A 60 LEU CA . 19550 1 687 . 1 1 56 56 LEU CB C 13 43.00 0.25 . 1 . . . A 60 LEU CB . 19550 1 688 . 1 1 56 56 LEU CG C 13 27.76 0.25 . 1 . . . A 60 LEU CG . 19550 1 689 . 1 1 56 56 LEU CD1 C 13 25.48 0.25 . 2 . . . A 60 LEU CD1 . 19550 1 690 . 1 1 56 56 LEU CD2 C 13 25.48 0.25 . 2 . . . A 60 LEU CD2 . 19550 1 691 . 1 1 56 56 LEU N N 15 123.03 0.15 . 1 . . . A 60 LEU N . 19550 1 692 . 1 1 57 57 GLU H H 1 8.80 0.02 . 1 . . . A 61 GLU H . 19550 1 693 . 1 1 57 57 GLU HA H 1 4.38 0.02 . 1 . . . A 61 GLU HA . 19550 1 694 . 1 1 57 57 GLU HB2 H 1 2.11 0.02 . 2 . . . A 61 GLU HB2 . 19550 1 695 . 1 1 57 57 GLU HB3 H 1 1.87 0.02 . 2 . . . A 61 GLU HB3 . 19550 1 696 . 1 1 57 57 GLU HG2 H 1 2.07 0.02 . 2 . . . A 61 GLU HG2 . 19550 1 697 . 1 1 57 57 GLU HG3 H 1 2.20 0.02 . 2 . . . A 61 GLU HG3 . 19550 1 698 . 1 1 57 57 GLU C C 13 175.39 0.25 . 1 . . . A 61 GLU C . 19550 1 699 . 1 1 57 57 GLU CA C 13 55.86 0.25 . 1 . . . A 61 GLU CA . 19550 1 700 . 1 1 57 57 GLU CB C 13 30.20 0.25 . 1 . . . A 61 GLU CB . 19550 1 701 . 1 1 57 57 GLU CG C 13 36.67 0.25 . 1 . . . A 61 GLU CG . 19550 1 702 . 1 1 57 57 GLU N N 15 123.57 0.15 . 1 . . . A 61 GLU N . 19550 1 703 . 1 1 58 58 ILE H H 1 6.79 0.02 . 1 . . . A 62 ILE H . 19550 1 704 . 1 1 58 58 ILE HA H 1 4.43 0.02 . 1 . . . A 62 ILE HA . 19550 1 705 . 1 1 58 58 ILE HB H 1 1.51 0.02 . 1 . . . A 62 ILE HB . 19550 1 706 . 1 1 58 58 ILE HG12 H 1 1.21 0.02 . 2 . . . A 62 ILE HG12 . 19550 1 707 . 1 1 58 58 ILE HG13 H 1 0.67 0.02 . 2 . . . A 62 ILE HG13 . 19550 1 708 . 1 1 58 58 ILE HG21 H 1 0.63 0.02 . 1 . . . A 62 ILE HG21 . 19550 1 709 . 1 1 58 58 ILE HG22 H 1 0.63 0.02 . 1 . . . A 62 ILE HG22 . 19550 1 710 . 1 1 58 58 ILE HG23 H 1 0.63 0.02 . 1 . . . A 62 ILE HG23 . 19550 1 711 . 1 1 58 58 ILE HD11 H 1 0.30 0.02 . 1 . . . A 62 ILE HD11 . 19550 1 712 . 1 1 58 58 ILE HD12 H 1 0.30 0.02 . 1 . . . A 62 ILE HD12 . 19550 1 713 . 1 1 58 58 ILE HD13 H 1 0.30 0.02 . 1 . . . A 62 ILE HD13 . 19550 1 714 . 1 1 58 58 ILE C C 13 172.59 0.25 . 1 . . . A 62 ILE C . 19550 1 715 . 1 1 58 58 ILE CA C 13 58.98 0.25 . 1 . . . A 62 ILE CA . 19550 1 716 . 1 1 58 58 ILE CB C 13 41.87 0.25 . 1 . . . A 62 ILE CB . 19550 1 717 . 1 1 58 58 ILE CG1 C 13 27.23 0.25 . 1 . . . A 62 ILE CG1 . 19550 1 718 . 1 1 58 58 ILE CG2 C 13 18.61 0.25 . 1 . . . A 62 ILE CG2 . 19550 1 719 . 1 1 58 58 ILE CD1 C 13 14.89 0.25 . 1 . . . A 62 ILE CD1 . 19550 1 720 . 1 1 58 58 ILE N N 15 113.67 0.15 . 1 . . . A 62 ILE N . 19550 1 721 . 1 1 59 59 GLN H H 1 8.38 0.02 . 1 . . . A 63 GLN H . 19550 1 722 . 1 1 59 59 GLN HA H 1 4.38 0.02 . 1 . . . A 63 GLN HA . 19550 1 723 . 1 1 59 59 GLN HB2 H 1 1.72 0.02 . 2 . . . A 63 GLN HB2 . 19550 1 724 . 1 1 59 59 GLN HB3 H 1 1.88 0.02 . 2 . . . A 63 GLN HB3 . 19550 1 725 . 1 1 59 59 GLN HG2 H 1 2.14 0.02 . 2 . . . A 63 GLN HG2 . 19550 1 726 . 1 1 59 59 GLN HG3 H 1 2.18 0.02 . 2 . . . A 63 GLN HG3 . 19550 1 727 . 1 1 59 59 GLN HE21 H 1 7.58 0.02 . 1 . . . A 63 GLN HE21 . 19550 1 728 . 1 1 59 59 GLN HE22 H 1 6.64 0.02 . 1 . . . A 63 GLN HE22 . 19550 1 729 . 1 1 59 59 GLN C C 13 175.07 0.25 . 1 . . . A 63 GLN C . 19550 1 730 . 1 1 59 59 GLN CA C 13 53.23 0.25 . 1 . . . A 63 GLN CA . 19550 1 731 . 1 1 59 59 GLN CB C 13 32.65 0.25 . 1 . . . A 63 GLN CB . 19550 1 732 . 1 1 59 59 GLN CG C 13 33.38 0.25 . 1 . . . A 63 GLN CG . 19550 1 733 . 1 1 59 59 GLN N N 15 119.49 0.15 . 1 . . . A 63 GLN N . 19550 1 734 . 1 1 59 59 GLN NE2 N 15 112.78 0.15 . 1 . . . A 63 GLN NE2 . 19550 1 735 . 1 1 60 60 VAL H H 1 8.37 0.02 . 1 . . . A 64 VAL H . 19550 1 736 . 1 1 60 60 VAL HA H 1 3.09 0.02 . 1 . . . A 64 VAL HA . 19550 1 737 . 1 1 60 60 VAL HB H 1 1.75 0.02 . 1 . . . A 64 VAL HB . 19550 1 738 . 1 1 60 60 VAL HG11 H 1 0.77 0.02 . 2 . . . A 64 VAL HG11 . 19550 1 739 . 1 1 60 60 VAL HG12 H 1 0.77 0.02 . 2 . . . A 64 VAL HG12 . 19550 1 740 . 1 1 60 60 VAL HG13 H 1 0.77 0.02 . 2 . . . A 64 VAL HG13 . 19550 1 741 . 1 1 60 60 VAL HG21 H 1 0.79 0.02 . 2 . . . A 64 VAL HG21 . 19550 1 742 . 1 1 60 60 VAL HG22 H 1 0.79 0.02 . 2 . . . A 64 VAL HG22 . 19550 1 743 . 1 1 60 60 VAL HG23 H 1 0.79 0.02 . 2 . . . A 64 VAL HG23 . 19550 1 744 . 1 1 60 60 VAL C C 13 177.13 0.25 . 1 . . . A 64 VAL C . 19550 1 745 . 1 1 60 60 VAL CA C 13 65.61 0.25 . 1 . . . A 64 VAL CA . 19550 1 746 . 1 1 60 60 VAL CB C 13 31.12 0.25 . 1 . . . A 64 VAL CB . 19550 1 747 . 1 1 60 60 VAL CG1 C 13 21.36 0.25 . 2 . . . A 64 VAL CG1 . 19550 1 748 . 1 1 60 60 VAL CG2 C 13 22.57 0.25 . 2 . . . A 64 VAL CG2 . 19550 1 749 . 1 1 60 60 VAL N N 15 120.77 0.15 . 1 . . . A 64 VAL N . 19550 1 750 . 1 1 61 61 GLY H H 1 8.87 0.02 . 1 . . . A 65 GLY H . 19550 1 751 . 1 1 61 61 GLY HA2 H 1 3.37 0.02 . 2 . . . A 65 GLY HA2 . 19550 1 752 . 1 1 61 61 GLY HA3 H 1 4.37 0.02 . 2 . . . A 65 GLY HA3 . 19550 1 753 . 1 1 61 61 GLY C C 13 174.15 0.25 . 1 . . . A 65 GLY C . 19550 1 754 . 1 1 61 61 GLY CA C 13 44.41 0.25 . 1 . . . A 65 GLY CA . 19550 1 755 . 1 1 61 61 GLY N N 15 116.72 0.15 . 1 . . . A 65 GLY N . 19550 1 756 . 1 1 62 62 ASP H H 1 7.81 0.02 . 1 . . . A 66 ASP H . 19550 1 757 . 1 1 62 62 ASP HA H 1 4.49 0.02 . 1 . . . A 66 ASP HA . 19550 1 758 . 1 1 62 62 ASP HB2 H 1 2.66 0.02 . 2 . . . A 66 ASP HB2 . 19550 1 759 . 1 1 62 62 ASP HB3 H 1 2.47 0.02 . 2 . . . A 66 ASP HB3 . 19550 1 760 . 1 1 62 62 ASP C C 13 175.19 0.25 . 1 . . . A 66 ASP C . 19550 1 761 . 1 1 62 62 ASP CA C 13 54.78 0.25 . 1 . . . A 66 ASP CA . 19550 1 762 . 1 1 62 62 ASP CB C 13 40.93 0.25 . 1 . . . A 66 ASP CB . 19550 1 763 . 1 1 62 62 ASP N N 15 121.34 0.15 . 1 . . . A 66 ASP N . 19550 1 764 . 1 1 63 63 GLU H H 1 8.32 0.02 . 1 . . . A 67 GLU H . 19550 1 765 . 1 1 63 63 GLU HA H 1 5.14 0.02 . 1 . . . A 67 GLU HA . 19550 1 766 . 1 1 63 63 GLU HB2 H 1 1.83 0.02 . 2 . . . A 67 GLU HB2 . 19550 1 767 . 1 1 63 63 GLU HB3 H 1 1.77 0.02 . 2 . . . A 67 GLU HB3 . 19550 1 768 . 1 1 63 63 GLU HG2 H 1 1.99 0.02 . 2 . . . A 67 GLU HG2 . 19550 1 769 . 1 1 63 63 GLU HG3 H 1 2.25 0.02 . 2 . . . A 67 GLU HG3 . 19550 1 770 . 1 1 63 63 GLU C C 13 176.49 0.25 . 1 . . . A 67 GLU C . 19550 1 771 . 1 1 63 63 GLU CA C 13 54.95 0.25 . 1 . . . A 67 GLU CA . 19550 1 772 . 1 1 63 63 GLU CB C 13 31.21 0.25 . 1 . . . A 67 GLU CB . 19550 1 773 . 1 1 63 63 GLU CG C 13 37.14 0.25 . 1 . . . A 67 GLU CG . 19550 1 774 . 1 1 63 63 GLU N N 15 119.48 0.15 . 1 . . . A 67 GLU N . 19550 1 775 . 1 1 64 64 VAL H H 1 8.69 0.02 . 1 . . . A 68 VAL H . 19550 1 776 . 1 1 64 64 VAL HA H 1 4.51 0.02 . 1 . . . A 68 VAL HA . 19550 1 777 . 1 1 64 64 VAL HB H 1 2.00 0.02 . 1 . . . A 68 VAL HB . 19550 1 778 . 1 1 64 64 VAL HG11 H 1 0.58 0.02 . 2 . . . A 68 VAL HG11 . 19550 1 779 . 1 1 64 64 VAL HG12 H 1 0.58 0.02 . 2 . . . A 68 VAL HG12 . 19550 1 780 . 1 1 64 64 VAL HG13 H 1 0.58 0.02 . 2 . . . A 68 VAL HG13 . 19550 1 781 . 1 1 64 64 VAL HG21 H 1 0.51 0.02 . 2 . . . A 68 VAL HG21 . 19550 1 782 . 1 1 64 64 VAL HG22 H 1 0.51 0.02 . 2 . . . A 68 VAL HG22 . 19550 1 783 . 1 1 64 64 VAL HG23 H 1 0.51 0.02 . 2 . . . A 68 VAL HG23 . 19550 1 784 . 1 1 64 64 VAL C C 13 173.62 0.25 . 1 . . . A 68 VAL C . 19550 1 785 . 1 1 64 64 VAL CA C 13 58.88 0.25 . 1 . . . A 68 VAL CA . 19550 1 786 . 1 1 64 64 VAL CB C 13 35.94 0.25 . 1 . . . A 68 VAL CB . 19550 1 787 . 1 1 64 64 VAL CG1 C 13 22.10 0.25 . 2 . . . A 68 VAL CG1 . 19550 1 788 . 1 1 64 64 VAL CG2 C 13 19.19 0.25 . 2 . . . A 68 VAL CG2 . 19550 1 789 . 1 1 64 64 VAL N N 15 116.52 0.15 . 1 . . . A 68 VAL N . 19550 1 790 . 1 1 65 65 ASP H H 1 8.28 0.02 . 1 . . . A 69 ASP H . 19550 1 791 . 1 1 65 65 ASP HA H 1 5.13 0.02 . 1 . . . A 69 ASP HA . 19550 1 792 . 1 1 65 65 ASP HB2 H 1 2.25 0.02 . 2 . . . A 69 ASP HB2 . 19550 1 793 . 1 1 65 65 ASP HB3 H 1 2.42 0.02 . 2 . . . A 69 ASP HB3 . 19550 1 794 . 1 1 65 65 ASP C C 13 175.91 0.25 . 1 . . . A 69 ASP C . 19550 1 795 . 1 1 65 65 ASP CA C 13 53.87 0.25 . 1 . . . A 69 ASP CA . 19550 1 796 . 1 1 65 65 ASP CB C 13 41.64 0.25 . 1 . . . A 69 ASP CB . 19550 1 797 . 1 1 65 65 ASP N N 15 122.79 0.15 . 1 . . . A 69 ASP N . 19550 1 798 . 1 1 66 66 VAL H H 1 9.09 0.02 . 1 . . . A 70 VAL H . 19550 1 799 . 1 1 66 66 VAL HA H 1 4.28 0.02 . 1 . . . A 70 VAL HA . 19550 1 800 . 1 1 66 66 VAL HB H 1 1.87 0.02 . 1 . . . A 70 VAL HB . 19550 1 801 . 1 1 66 66 VAL HG11 H 1 0.71 0.02 . 2 . . . A 70 VAL HG11 . 19550 1 802 . 1 1 66 66 VAL HG12 H 1 0.71 0.02 . 2 . . . A 70 VAL HG12 . 19550 1 803 . 1 1 66 66 VAL HG13 H 1 0.71 0.02 . 2 . . . A 70 VAL HG13 . 19550 1 804 . 1 1 66 66 VAL HG21 H 1 0.69 0.02 . 2 . . . A 70 VAL HG21 . 19550 1 805 . 1 1 66 66 VAL HG22 H 1 0.69 0.02 . 2 . . . A 70 VAL HG22 . 19550 1 806 . 1 1 66 66 VAL HG23 H 1 0.69 0.02 . 2 . . . A 70 VAL HG23 . 19550 1 807 . 1 1 66 66 VAL C C 13 173.53 0.25 . 1 . . . A 70 VAL C . 19550 1 808 . 1 1 66 66 VAL CA C 13 60.12 0.25 . 1 . . . A 70 VAL CA . 19550 1 809 . 1 1 66 66 VAL CB C 13 34.83 0.25 . 1 . . . A 70 VAL CB . 19550 1 810 . 1 1 66 66 VAL CG1 C 13 21.52 0.25 . 2 . . . A 70 VAL CG1 . 19550 1 811 . 1 1 66 66 VAL CG2 C 13 20.84 0.25 . 2 . . . A 70 VAL CG2 . 19550 1 812 . 1 1 66 66 VAL N N 15 120.49 0.15 . 1 . . . A 70 VAL N . 19550 1 813 . 1 1 67 67 ALA H H 1 8.46 0.02 . 1 . . . A 71 ALA H . 19550 1 814 . 1 1 67 67 ALA HA H 1 4.66 0.02 . 1 . . . A 71 ALA HA . 19550 1 815 . 1 1 67 67 ALA HB1 H 1 1.21 0.02 . 1 . . . A 71 ALA HB1 . 19550 1 816 . 1 1 67 67 ALA HB2 H 1 1.21 0.02 . 1 . . . A 71 ALA HB2 . 19550 1 817 . 1 1 67 67 ALA HB3 H 1 1.21 0.02 . 1 . . . A 71 ALA HB3 . 19550 1 818 . 1 1 67 67 ALA C C 13 177.38 0.25 . 1 . . . A 71 ALA C . 19550 1 819 . 1 1 67 67 ALA CA C 13 50.93 0.25 . 1 . . . A 71 ALA CA . 19550 1 820 . 1 1 67 67 ALA CB C 13 18.80 0.25 . 1 . . . A 71 ALA CB . 19550 1 821 . 1 1 67 67 ALA N N 15 127.58 0.15 . 1 . . . A 71 ALA N . 19550 1 822 . 1 1 68 68 LEU H H 1 8.39 0.02 . 1 . . . A 72 LEU H . 19550 1 823 . 1 1 68 68 LEU HA H 1 4.23 0.02 . 1 . . . A 72 LEU HA . 19550 1 824 . 1 1 68 68 LEU HB2 H 1 1.52 0.02 . 2 . . . A 72 LEU HB2 . 19550 1 825 . 1 1 68 68 LEU HB3 H 1 1.46 0.02 . 2 . . . A 72 LEU HB3 . 19550 1 826 . 1 1 68 68 LEU HD11 H 1 0.68 0.02 . 2 . . . A 72 LEU HD11 . 19550 1 827 . 1 1 68 68 LEU HD12 H 1 0.68 0.02 . 2 . . . A 72 LEU HD12 . 19550 1 828 . 1 1 68 68 LEU HD13 H 1 0.68 0.02 . 2 . . . A 72 LEU HD13 . 19550 1 829 . 1 1 68 68 LEU HD21 H 1 0.75 0.02 . 2 . . . A 72 LEU HD21 . 19550 1 830 . 1 1 68 68 LEU HD22 H 1 0.75 0.02 . 2 . . . A 72 LEU HD22 . 19550 1 831 . 1 1 68 68 LEU HD23 H 1 0.75 0.02 . 2 . . . A 72 LEU HD23 . 19550 1 832 . 1 1 68 68 LEU CA C 13 55.09 0.25 . 1 . . . A 72 LEU CA . 19550 1 833 . 1 1 68 68 LEU CB C 13 42.45 0.25 . 1 . . . A 72 LEU CB . 19550 1 834 . 1 1 68 68 LEU CG C 13 27.07 0.25 . 1 . . . A 72 LEU CG . 19550 1 835 . 1 1 68 68 LEU CD1 C 13 23.61 0.25 . 2 . . . A 72 LEU CD1 . 19550 1 836 . 1 1 68 68 LEU CD2 C 13 25.20 0.25 . 2 . . . A 72 LEU CD2 . 19550 1 837 . 1 1 68 68 LEU N N 15 124.20 0.15 . 1 . . . A 72 LEU N . 19550 1 838 . 1 1 69 69 ASP H H 1 8.44 0.02 . 1 . . . A 73 ASP H . 19550 1 839 . 1 1 69 69 ASP HA H 1 4.45 0.02 . 1 . . . A 73 ASP HA . 19550 1 840 . 1 1 69 69 ASP HB2 H 1 2.56 0.02 . 2 . . . A 73 ASP HB2 . 19550 1 841 . 1 1 69 69 ASP HB3 H 1 2.46 0.02 . 2 . . . A 73 ASP HB3 . 19550 1 842 . 1 1 69 69 ASP C C 13 175.91 0.25 . 1 . . . A 73 ASP C . 19550 1 843 . 1 1 69 69 ASP CA C 13 54.48 0.25 . 1 . . . A 73 ASP CA . 19550 1 844 . 1 1 69 69 ASP N N 15 119.98 0.15 . 1 . . . A 73 ASP N . 19550 1 845 . 1 1 70 70 ALA H H 1 7.92 0.02 . 1 . . . A 74 ALA H . 19550 1 846 . 1 1 70 70 ALA HA H 1 4.24 0.02 . 1 . . . A 74 ALA HA . 19550 1 847 . 1 1 70 70 ALA HB1 H 1 1.27 0.02 . 1 . . . A 74 ALA HB1 . 19550 1 848 . 1 1 70 70 ALA HB2 H 1 1.27 0.02 . 1 . . . A 74 ALA HB2 . 19550 1 849 . 1 1 70 70 ALA HB3 H 1 1.27 0.02 . 1 . . . A 74 ALA HB3 . 19550 1 850 . 1 1 70 70 ALA C C 13 177.69 0.25 . 1 . . . A 74 ALA C . 19550 1 851 . 1 1 70 70 ALA CA C 13 52.36 0.25 . 1 . . . A 74 ALA CA . 19550 1 852 . 1 1 70 70 ALA CB C 13 19.33 0.25 . 1 . . . A 74 ALA CB . 19550 1 853 . 1 1 70 70 ALA N N 15 122.83 0.15 . 1 . . . A 74 ALA N . 19550 1 854 . 1 1 71 71 VAL H H 1 7.84 0.02 . 1 . . . A 75 VAL H . 19550 1 855 . 1 1 71 71 VAL HA H 1 3.97 0.02 . 1 . . . A 75 VAL HA . 19550 1 856 . 1 1 71 71 VAL HB H 1 1.99 0.02 . 1 . . . A 75 VAL HB . 19550 1 857 . 1 1 71 71 VAL HG11 H 1 0.80 0.02 . 2 . . . A 75 VAL HG11 . 19550 1 858 . 1 1 71 71 VAL HG12 H 1 0.80 0.02 . 2 . . . A 75 VAL HG12 . 19550 1 859 . 1 1 71 71 VAL HG13 H 1 0.80 0.02 . 2 . . . A 75 VAL HG13 . 19550 1 860 . 1 1 71 71 VAL HG21 H 1 0.80 0.02 . 2 . . . A 75 VAL HG21 . 19550 1 861 . 1 1 71 71 VAL HG22 H 1 0.80 0.02 . 2 . . . A 75 VAL HG22 . 19550 1 862 . 1 1 71 71 VAL HG23 H 1 0.80 0.02 . 2 . . . A 75 VAL HG23 . 19550 1 863 . 1 1 71 71 VAL C C 13 176.37 0.25 . 1 . . . A 75 VAL C . 19550 1 864 . 1 1 71 71 VAL CA C 13 62.26 0.25 . 1 . . . A 75 VAL CA . 19550 1 865 . 1 1 71 71 VAL CB C 13 32.77 0.25 . 1 . . . A 75 VAL CB . 19550 1 866 . 1 1 71 71 VAL CG1 C 13 21.03 0.25 . 2 . . . A 75 VAL CG1 . 19550 1 867 . 1 1 71 71 VAL CG2 C 13 21.06 0.25 . 2 . . . A 75 VAL CG2 . 19550 1 868 . 1 1 71 71 VAL N N 15 118.36 0.15 . 1 . . . A 75 VAL N . 19550 1 869 . 1 1 72 72 GLU H H 1 8.38 0.02 . 1 . . . A 76 GLU H . 19550 1 870 . 1 1 72 72 GLU HA H 1 4.15 0.02 . 1 . . . A 76 GLU HA . 19550 1 871 . 1 1 72 72 GLU HB2 H 1 1.83 0.02 . 2 . . . A 76 GLU HB2 . 19550 1 872 . 1 1 72 72 GLU HB3 H 1 1.94 0.02 . 2 . . . A 76 GLU HB3 . 19550 1 873 . 1 1 72 72 GLU HG2 H 1 2.12 0.02 . 2 . . . A 76 GLU HG2 . 19550 1 874 . 1 1 72 72 GLU HG3 H 1 2.17 0.02 . 2 . . . A 76 GLU HG3 . 19550 1 875 . 1 1 72 72 GLU C C 13 176.32 0.25 . 1 . . . A 76 GLU C . 19550 1 876 . 1 1 72 72 GLU CA C 13 56.60 0.25 . 1 . . . A 76 GLU CA . 19550 1 877 . 1 1 72 72 GLU CB C 13 30.15 0.25 . 1 . . . A 76 GLU CB . 19550 1 878 . 1 1 72 72 GLU N N 15 123.79 0.15 . 1 . . . A 76 GLU N . 19550 1 879 . 1 1 73 73 ASP H H 1 8.27 0.02 . 1 . . . A 77 ASP H . 19550 1 880 . 1 1 73 73 ASP HA H 1 4.45 0.02 . 1 . . . A 77 ASP HA . 19550 1 881 . 1 1 73 73 ASP HB2 H 1 2.60 0.02 . 2 . . . A 77 ASP HB2 . 19550 1 882 . 1 1 73 73 ASP HB3 H 1 2.57 0.02 . 2 . . . A 77 ASP HB3 . 19550 1 883 . 1 1 73 73 ASP C C 13 176.74 0.25 . 1 . . . A 77 ASP C . 19550 1 884 . 1 1 73 73 ASP CA C 13 54.53 0.25 . 1 . . . A 77 ASP CA . 19550 1 885 . 1 1 73 73 ASP CB C 13 41.23 0.25 . 1 . . . A 77 ASP CB . 19550 1 886 . 1 1 73 73 ASP N N 15 121.32 0.15 . 1 . . . A 77 ASP N . 19550 1 887 . 1 1 74 74 GLY H H 1 8.18 0.02 . 1 . . . A 78 GLY H . 19550 1 888 . 1 1 74 74 GLY HA2 H 1 3.78 0.02 . 2 . . . A 78 GLY HA2 . 19550 1 889 . 1 1 74 74 GLY HA3 H 1 3.78 0.02 . 2 . . . A 78 GLY HA3 . 19550 1 890 . 1 1 74 74 GLY C C 13 174.35 0.25 . 1 . . . A 78 GLY C . 19550 1 891 . 1 1 74 74 GLY CA C 13 45.39 0.25 . 1 . . . A 78 GLY CA . 19550 1 892 . 1 1 74 74 GLY N N 15 108.57 0.15 . 1 . . . A 78 GLY N . 19550 1 893 . 1 1 75 75 PHE H H 1 8.09 0.02 . 1 . . . A 79 PHE H . 19550 1 894 . 1 1 75 75 PHE HA H 1 4.51 0.02 . 1 . . . A 79 PHE HA . 19550 1 895 . 1 1 75 75 PHE HB2 H 1 3.10 0.02 . 2 . . . A 79 PHE HB2 . 19550 1 896 . 1 1 75 75 PHE HB3 H 1 2.97 0.02 . 2 . . . A 79 PHE HB3 . 19550 1 897 . 1 1 75 75 PHE HD1 H 1 7.14 0.02 . 3 . . . A 79 PHE HD1 . 19550 1 898 . 1 1 75 75 PHE HD2 H 1 7.14 0.02 . 3 . . . A 79 PHE HD2 . 19550 1 899 . 1 1 75 75 PHE HE1 H 1 7.23 0.02 . 3 . . . A 79 PHE HE1 . 19550 1 900 . 1 1 75 75 PHE HE2 H 1 7.23 0.02 . 3 . . . A 79 PHE HE2 . 19550 1 901 . 1 1 75 75 PHE HZ H 1 7.17 0.02 . 1 . . . A 79 PHE HZ . 19550 1 902 . 1 1 75 75 PHE C C 13 176.43 0.25 . 1 . . . A 79 PHE C . 19550 1 903 . 1 1 75 75 PHE CA C 13 58.15 0.25 . 1 . . . A 79 PHE CA . 19550 1 904 . 1 1 75 75 PHE CB C 13 39.30 0.25 . 1 . . . A 79 PHE CB . 19550 1 905 . 1 1 75 75 PHE CD1 C 13 131.82 0.25 . 3 . . . A 79 PHE CD1 . 19550 1 906 . 1 1 75 75 PHE CD2 C 13 131.82 0.25 . 3 . . . A 79 PHE CD2 . 19550 1 907 . 1 1 75 75 PHE CE1 C 13 131.67 0.25 . 3 . . . A 79 PHE CE1 . 19550 1 908 . 1 1 75 75 PHE CE2 C 13 131.67 0.25 . 3 . . . A 79 PHE CE2 . 19550 1 909 . 1 1 75 75 PHE CZ C 13 129.65 0.25 . 1 . . . A 79 PHE CZ . 19550 1 910 . 1 1 75 75 PHE N N 15 119.99 0.15 . 1 . . . A 79 PHE N . 19550 1 911 . 1 1 76 76 GLY H H 1 8.32 0.02 . 1 . . . A 80 GLY H . 19550 1 912 . 1 1 76 76 GLY HA2 H 1 3.76 0.02 . 2 . . . A 80 GLY HA2 . 19550 1 913 . 1 1 76 76 GLY HA3 H 1 3.84 0.02 . 2 . . . A 80 GLY HA3 . 19550 1 914 . 1 1 76 76 GLY C C 13 174.20 0.25 . 1 . . . A 80 GLY C . 19550 1 915 . 1 1 76 76 GLY CA C 13 45.39 0.25 . 1 . . . A 80 GLY CA . 19550 1 916 . 1 1 76 76 GLY N N 15 110.05 0.15 . 1 . . . A 80 GLY N . 19550 1 917 . 1 1 77 77 GLU H H 1 8.18 0.02 . 1 . . . A 81 GLU H . 19550 1 918 . 1 1 77 77 GLU HA H 1 4.24 0.02 . 1 . . . A 81 GLU HA . 19550 1 919 . 1 1 77 77 GLU HB2 H 1 1.88 0.02 . 2 . . . A 81 GLU HB2 . 19550 1 920 . 1 1 77 77 GLU HB3 H 1 1.96 0.02 . 2 . . . A 81 GLU HB3 . 19550 1 921 . 1 1 77 77 GLU HG2 H 1 2.16 0.02 . 1 . . . A 81 GLU HG2 . 19550 1 922 . 1 1 77 77 GLU HG3 H 1 2.16 0.02 . 1 . . . A 81 GLU HG3 . 19550 1 923 . 1 1 77 77 GLU C C 13 176.94 0.25 . 1 . . . A 81 GLU C . 19550 1 924 . 1 1 77 77 GLU CA C 13 56.71 0.25 . 1 . . . A 81 GLU CA . 19550 1 925 . 1 1 77 77 GLU CB C 13 30.20 0.25 . 1 . . . A 81 GLU CB . 19550 1 926 . 1 1 77 77 GLU CG C 13 36.15 0.25 . 1 . . . A 81 GLU CG . 19550 1 927 . 1 1 77 77 GLU N N 15 120.58 0.15 . 1 . . . A 81 GLU N . 19550 1 928 . 1 1 78 78 THR H H 1 8.18 0.02 . 1 . . . A 82 THR H . 19550 1 929 . 1 1 78 78 THR HA H 1 4.23 0.02 . 1 . . . A 82 THR HA . 19550 1 930 . 1 1 78 78 THR HB H 1 4.13 0.02 . 1 . . . A 82 THR HB . 19550 1 931 . 1 1 78 78 THR HG21 H 1 1.10 0.02 . 1 . . . A 82 THR HG21 . 19550 1 932 . 1 1 78 78 THR HG22 H 1 1.10 0.02 . 1 . . . A 82 THR HG22 . 19550 1 933 . 1 1 78 78 THR HG23 H 1 1.10 0.02 . 1 . . . A 82 THR HG23 . 19550 1 934 . 1 1 78 78 THR C C 13 174.81 0.25 . 1 . . . A 82 THR C . 19550 1 935 . 1 1 78 78 THR CA C 13 62.23 0.25 . 1 . . . A 82 THR CA . 19550 1 936 . 1 1 78 78 THR CB C 13 69.83 0.25 . 1 . . . A 82 THR CB . 19550 1 937 . 1 1 78 78 THR N N 15 114.96 0.15 . 1 . . . A 82 THR N . 19550 1 938 . 1 1 79 79 LEU H H 1 8.17 0.02 . 1 . . . A 83 LEU H . 19550 1 939 . 1 1 79 79 LEU HA H 1 4.20 0.02 . 1 . . . A 83 LEU HA . 19550 1 940 . 1 1 79 79 LEU HB2 H 1 1.47 0.02 . 2 . . . A 83 LEU HB2 . 19550 1 941 . 1 1 79 79 LEU HB3 H 1 1.54 0.02 . 2 . . . A 83 LEU HB3 . 19550 1 942 . 1 1 79 79 LEU HG H 1 1.50 0.02 . 1 . . . A 83 LEU HG . 19550 1 943 . 1 1 79 79 LEU HD11 H 1 0.79 0.02 . 2 . . . A 83 LEU HD11 . 19550 1 944 . 1 1 79 79 LEU HD12 H 1 0.79 0.02 . 2 . . . A 83 LEU HD12 . 19550 1 945 . 1 1 79 79 LEU HD13 H 1 0.79 0.02 . 2 . . . A 83 LEU HD13 . 19550 1 946 . 1 1 79 79 LEU HD21 H 1 0.73 0.02 . 2 . . . A 83 LEU HD21 . 19550 1 947 . 1 1 79 79 LEU HD22 H 1 0.73 0.02 . 2 . . . A 83 LEU HD22 . 19550 1 948 . 1 1 79 79 LEU HD23 H 1 0.73 0.02 . 2 . . . A 83 LEU HD23 . 19550 1 949 . 1 1 79 79 LEU C C 13 177.64 0.25 . 1 . . . A 83 LEU C . 19550 1 950 . 1 1 79 79 LEU CA C 13 55.94 0.25 . 1 . . . A 83 LEU CA . 19550 1 951 . 1 1 79 79 LEU CB C 13 42.06 0.25 . 1 . . . A 83 LEU CB . 19550 1 952 . 1 1 79 79 LEU CG C 13 26.74 0.25 . 1 . . . A 83 LEU CG . 19550 1 953 . 1 1 79 79 LEU CD1 C 13 24.83 0.25 . 2 . . . A 83 LEU CD1 . 19550 1 954 . 1 1 79 79 LEU CD2 C 13 23.50 0.25 . 2 . . . A 83 LEU CD2 . 19550 1 955 . 1 1 79 79 LEU N N 15 123.94 0.15 . 1 . . . A 83 LEU N . 19550 1 956 . 1 1 80 80 LEU H H 1 8.09 0.02 . 1 . . . A 84 LEU H . 19550 1 957 . 1 1 80 80 LEU HA H 1 4.23 0.02 . 1 . . . A 84 LEU HA . 19550 1 958 . 1 1 80 80 LEU HB2 H 1 1.44 0.02 . 2 . . . A 84 LEU HB2 . 19550 1 959 . 1 1 80 80 LEU HB3 H 1 1.56 0.02 . 2 . . . A 84 LEU HB3 . 19550 1 960 . 1 1 80 80 LEU CA C 13 55.80 0.25 . 1 . . . A 84 LEU CA . 19550 1 961 . 1 1 80 80 LEU N N 15 121.10 0.15 . 1 . . . A 84 LEU N . 19550 1 962 . 1 1 81 81 SER H H 1 8.26 0.02 . 1 . . . A 85 SER H . 19550 1 963 . 1 1 81 81 SER HA H 1 4.31 0.02 . 1 . . . A 85 SER HA . 19550 1 964 . 1 1 81 81 SER HB2 H 1 3.83 0.02 . 2 . . . A 85 SER HB2 . 19550 1 965 . 1 1 81 81 SER HB3 H 1 3.74 0.02 . 2 . . . A 85 SER HB3 . 19550 1 966 . 1 1 81 81 SER CA C 13 58.74 0.25 . 1 . . . A 85 SER CA . 19550 1 967 . 1 1 81 81 SER CB C 13 63.63 0.25 . 1 . . . A 85 SER CB . 19550 1 968 . 1 1 81 81 SER N N 15 116.98 0.15 . 1 . . . A 85 SER N . 19550 1 969 . 1 1 83 83 GLU H H 1 8.12 0.02 . 1 . . . A 87 GLU H . 19550 1 970 . 1 1 83 83 GLU HA H 1 4.17 0.02 . 1 . . . A 87 GLU HA . 19550 1 971 . 1 1 83 83 GLU HB2 H 1 1.92 0.02 . 2 . . . A 87 GLU HB2 . 19550 1 972 . 1 1 83 83 GLU HB3 H 1 1.82 0.02 . 2 . . . A 87 GLU HB3 . 19550 1 973 . 1 1 83 83 GLU HG2 H 1 2.11 0.02 . 2 . . . A 87 GLU HG2 . 19550 1 974 . 1 1 83 83 GLU HG3 H 1 2.14 0.02 . 2 . . . A 87 GLU HG3 . 19550 1 975 . 1 1 83 83 GLU N N 15 120.31 0.15 . 1 . . . A 87 GLU N . 19550 1 976 . 1 1 84 84 LYS H H 1 8.08 0.02 . 1 . . . A 88 LYS H . 19550 1 977 . 1 1 84 84 LYS HA H 1 4.04 0.02 . 1 . . . A 88 LYS HA . 19550 1 978 . 1 1 84 84 LYS HB2 H 1 1.69 0.02 . 1 . . . A 88 LYS HB2 . 19550 1 979 . 1 1 84 84 LYS HB3 H 1 1.69 0.02 . 1 . . . A 88 LYS HB3 . 19550 1 980 . 1 1 84 84 LYS C C 13 175.64 0.25 . 1 . . . A 88 LYS C . 19550 1 981 . 1 1 84 84 LYS N N 15 120.78 0.15 . 1 . . . A 88 LYS N . 19550 1 982 . 1 1 85 85 ALA H H 1 8.31 0.02 . 1 . . . A 89 ALA H . 19550 1 983 . 1 1 85 85 ALA HA H 1 4.15 0.02 . 1 . . . A 89 ALA HA . 19550 1 984 . 1 1 85 85 ALA HB1 H 1 1.29 0.02 . 1 . . . A 89 ALA HB1 . 19550 1 985 . 1 1 85 85 ALA HB2 H 1 1.29 0.02 . 1 . . . A 89 ALA HB2 . 19550 1 986 . 1 1 85 85 ALA HB3 H 1 1.29 0.02 . 1 . . . A 89 ALA HB3 . 19550 1 987 . 1 1 85 85 ALA C C 13 178.15 0.25 . 1 . . . A 89 ALA C . 19550 1 988 . 1 1 85 85 ALA CA C 13 52.86 0.25 . 1 . . . A 89 ALA CA . 19550 1 989 . 1 1 85 85 ALA CB C 13 18.95 0.25 . 1 . . . A 89 ALA CB . 19550 1 990 . 1 1 85 85 ALA N N 15 124.25 0.15 . 1 . . . A 89 ALA N . 19550 1 991 . 1 1 86 86 LYS H H 1 7.94 0.02 . 1 . . . A 90 LYS H . 19550 1 992 . 1 1 86 86 LYS HA H 1 4.11 0.02 . 1 . . . A 90 LYS HA . 19550 1 993 . 1 1 86 86 LYS HB2 H 1 1.69 0.02 . 2 . . . A 90 LYS HB2 . 19550 1 994 . 1 1 86 86 LYS HB3 H 1 1.66 0.02 . 2 . . . A 90 LYS HB3 . 19550 1 995 . 1 1 86 86 LYS HG2 H 1 1.35 0.02 . 2 . . . A 90 LYS HG2 . 19550 1 996 . 1 1 86 86 LYS HG3 H 1 1.29 0.02 . 2 . . . A 90 LYS HG3 . 19550 1 997 . 1 1 86 86 LYS HD2 H 1 1.56 0.02 . 1 . . . A 90 LYS HD2 . 19550 1 998 . 1 1 86 86 LYS HD3 H 1 1.56 0.02 . 1 . . . A 90 LYS HD3 . 19550 1 999 . 1 1 86 86 LYS HE2 H 1 2.83 0.02 . 1 . . . A 90 LYS HE2 . 19550 1 1000 . 1 1 86 86 LYS HE3 H 1 2.83 0.02 . 1 . . . A 90 LYS HE3 . 19550 1 1001 . 1 1 86 86 LYS C C 13 176.89 0.25 . 1 . . . A 90 LYS C . 19550 1 1002 . 1 1 86 86 LYS CA C 13 56.63 0.25 . 1 . . . A 90 LYS CA . 19550 1 1003 . 1 1 86 86 LYS CB C 13 32.69 0.25 . 1 . . . A 90 LYS CB . 19550 1 1004 . 1 1 86 86 LYS CG C 13 24.73 0.25 . 1 . . . A 90 LYS CG . 19550 1 1005 . 1 1 86 86 LYS CD C 13 28.87 0.25 . 1 . . . A 90 LYS CD . 19550 1 1006 . 1 1 86 86 LYS CE C 13 41.79 0.25 . 1 . . . A 90 LYS CE . 19550 1 1007 . 1 1 86 86 LYS N N 15 119.43 0.15 . 1 . . . A 90 LYS N . 19550 1 1008 . 1 1 87 87 ARG H H 1 8.05 0.02 . 1 . . . A 91 ARG H . 19550 1 1009 . 1 1 87 87 ARG HA H 1 4.13 0.02 . 1 . . . A 91 ARG HA . 19550 1 1010 . 1 1 87 87 ARG HB2 H 1 1.68 0.02 . 2 . . . A 91 ARG HB2 . 19550 1 1011 . 1 1 87 87 ARG HB3 H 1 1.65 0.02 . 2 . . . A 91 ARG HB3 . 19550 1 1012 . 1 1 87 87 ARG HG2 H 1 1.43 0.02 . 2 . . . A 91 ARG HG2 . 19550 1 1013 . 1 1 87 87 ARG HG3 H 1 1.48 0.02 . 2 . . . A 91 ARG HG3 . 19550 1 1014 . 1 1 87 87 ARG HD2 H 1 3.01 0.02 . 2 . . . A 91 ARG HD2 . 19550 1 1015 . 1 1 87 87 ARG HD3 H 1 3.01 0.02 . 2 . . . A 91 ARG HD3 . 19550 1 1016 . 1 1 87 87 ARG CA C 13 56.51 0.25 . 1 . . . A 91 ARG CA . 19550 1 1017 . 1 1 87 87 ARG CB C 13 30.45 0.25 . 1 . . . A 91 ARG CB . 19550 1 1018 . 1 1 87 87 ARG CG C 13 27.22 0.25 . 1 . . . A 91 ARG CG . 19550 1 1019 . 1 1 87 87 ARG CD C 13 43.19 0.25 . 1 . . . A 91 ARG CD . 19550 1 1020 . 1 1 87 87 ARG N N 15 121.08 0.15 . 1 . . . A 91 ARG N . 19550 1 1021 . 1 1 88 88 HIS HA H 1 4.39 0.02 . 1 . . . A 92 HIS HA . 19550 1 1022 . 1 1 88 88 HIS HB2 H 1 2.93 0.02 . 2 . . . A 92 HIS HB2 . 19550 1 1023 . 1 1 88 88 HIS HB3 H 1 2.99 0.02 . 2 . . . A 92 HIS HB3 . 19550 1 1024 . 1 1 88 88 HIS HD2 H 1 6.89 0.02 . 1 . . . A 92 HIS HD2 . 19550 1 1025 . 1 1 88 88 HIS HE1 H 1 7.76 0.02 . 1 . . . A 92 HIS HE1 . 19550 1 1026 . 1 1 88 88 HIS CA C 13 56.66 0.25 . 1 . . . A 92 HIS CA . 19550 1 1027 . 1 1 88 88 HIS CB C 13 30.48 0.25 . 1 . . . A 92 HIS CB . 19550 1 1028 . 1 1 88 88 HIS CD2 C 13 120.05 0.25 . 1 . . . A 92 HIS CD2 . 19550 1 1029 . 1 1 88 88 HIS CE1 C 13 138.04 0.25 . 1 . . . A 92 HIS CE1 . 19550 1 1030 . 1 1 89 89 GLU H H 1 8.22 0.02 . 1 . . . A 93 GLU H . 19550 1 1031 . 1 1 89 89 GLU HA H 1 4.03 0.02 . 1 . . . A 93 GLU HA . 19550 1 1032 . 1 1 89 89 GLU HB2 H 1 1.84 0.02 . 2 . . . A 93 GLU HB2 . 19550 1 1033 . 1 1 89 89 GLU HB3 H 1 1.71 0.02 . 2 . . . A 93 GLU HB3 . 19550 1 1034 . 1 1 89 89 GLU HG2 H 1 2.10 0.02 . 1 . . . A 93 GLU HG2 . 19550 1 1035 . 1 1 89 89 GLU HG3 H 1 2.10 0.02 . 1 . . . A 93 GLU HG3 . 19550 1 1036 . 1 1 89 89 GLU C C 13 176.20 0.25 . 1 . . . A 93 GLU C . 19550 1 1037 . 1 1 89 89 GLU CA C 13 56.51 0.25 . 1 . . . A 93 GLU CA . 19550 1 1038 . 1 1 89 89 GLU CB C 13 30.10 0.25 . 1 . . . A 93 GLU CB . 19550 1 1039 . 1 1 89 89 GLU CG C 13 36.27 0.25 . 1 . . . A 93 GLU CG . 19550 1 1040 . 1 1 89 89 GLU N N 15 121.62 0.15 . 1 . . . A 93 GLU N . 19550 1 1041 . 1 1 90 90 ALA H H 1 8.17 0.02 . 1 . . . A 94 ALA H . 19550 1 1042 . 1 1 90 90 ALA HA H 1 4.13 0.02 . 1 . . . A 94 ALA HA . 19550 1 1043 . 1 1 90 90 ALA HB1 H 1 1.23 0.02 . 1 . . . A 94 ALA HB1 . 19550 1 1044 . 1 1 90 90 ALA HB2 H 1 1.23 0.02 . 1 . . . A 94 ALA HB2 . 19550 1 1045 . 1 1 90 90 ALA HB3 H 1 1.23 0.02 . 1 . . . A 94 ALA HB3 . 19550 1 1046 . 1 1 90 90 ALA C C 13 177.38 0.25 . 1 . . . A 94 ALA C . 19550 1 1047 . 1 1 90 90 ALA CA C 13 52.68 0.25 . 1 . . . A 94 ALA CA . 19550 1 1048 . 1 1 90 90 ALA CB C 13 18.90 0.25 . 1 . . . A 94 ALA CB . 19550 1 1049 . 1 1 90 90 ALA N N 15 123.79 0.15 . 1 . . . A 94 ALA N . 19550 1 1050 . 1 1 91 91 TRP H H 1 7.86 0.02 . 1 . . . A 95 TRP H . 19550 1 1051 . 1 1 91 91 TRP HA H 1 4.55 0.02 . 1 . . . A 95 TRP HA . 19550 1 1052 . 1 1 91 91 TRP HB2 H 1 3.16 0.02 . 2 . . . A 95 TRP HB2 . 19550 1 1053 . 1 1 91 91 TRP HB3 H 1 3.18 0.02 . 2 . . . A 95 TRP HB3 . 19550 1 1054 . 1 1 91 91 TRP HD1 H 1 7.09 0.02 . 1 . . . A 95 TRP HD1 . 19550 1 1055 . 1 1 91 91 TRP HE1 H 1 10.04 0.02 . 1 . . . A 95 TRP HE1 . 19550 1 1056 . 1 1 91 91 TRP HE3 H 1 7.48 0.02 . 1 . . . A 95 TRP HE3 . 19550 1 1057 . 1 1 91 91 TRP HZ2 H 1 7.34 0.02 . 1 . . . A 95 TRP HZ2 . 19550 1 1058 . 1 1 91 91 TRP HZ3 H 1 7.01 0.02 . 1 . . . A 95 TRP HZ3 . 19550 1 1059 . 1 1 91 91 TRP HH2 H 1 7.09 0.02 . 1 . . . A 95 TRP HH2 . 19550 1 1060 . 1 1 91 91 TRP C C 13 176.03 0.25 . 1 . . . A 95 TRP C . 19550 1 1061 . 1 1 91 91 TRP CA C 13 57.14 0.25 . 1 . . . A 95 TRP CA . 19550 1 1062 . 1 1 91 91 TRP CB C 13 29.20 0.25 . 1 . . . A 95 TRP CB . 19550 1 1063 . 1 1 91 91 TRP CD1 C 13 127.07 0.25 . 1 . . . A 95 TRP CD1 . 19550 1 1064 . 1 1 91 91 TRP CE3 C 13 120.78 0.25 . 1 . . . A 95 TRP CE3 . 19550 1 1065 . 1 1 91 91 TRP CZ2 C 13 114.62 0.25 . 1 . . . A 95 TRP CZ2 . 19550 1 1066 . 1 1 91 91 TRP CZ3 C 13 122.10 0.25 . 1 . . . A 95 TRP CZ3 . 19550 1 1067 . 1 1 91 91 TRP CH2 C 13 124.56 0.25 . 1 . . . A 95 TRP CH2 . 19550 1 1068 . 1 1 91 91 TRP N N 15 119.34 0.15 . 1 . . . A 95 TRP N . 19550 1 1069 . 1 1 91 91 TRP NE1 N 15 129.37 0.15 . 1 . . . A 95 TRP NE1 . 19550 1 1070 . 1 1 92 92 ILE H H 1 7.71 0.02 . 1 . . . A 96 ILE H . 19550 1 1071 . 1 1 92 92 ILE HA H 1 3.98 0.02 . 1 . . . A 96 ILE HA . 19550 1 1072 . 1 1 92 92 ILE HB H 1 1.63 0.02 . 1 . . . A 96 ILE HB . 19550 1 1073 . 1 1 92 92 ILE HG12 H 1 0.93 0.02 . 2 . . . A 96 ILE HG12 . 19550 1 1074 . 1 1 92 92 ILE HG13 H 1 1.20 0.02 . 2 . . . A 96 ILE HG13 . 19550 1 1075 . 1 1 92 92 ILE HG21 H 1 0.70 0.02 . 1 . . . A 96 ILE HG21 . 19550 1 1076 . 1 1 92 92 ILE HG22 H 1 0.70 0.02 . 1 . . . A 96 ILE HG22 . 19550 1 1077 . 1 1 92 92 ILE HG23 H 1 0.70 0.02 . 1 . . . A 96 ILE HG23 . 19550 1 1078 . 1 1 92 92 ILE HD11 H 1 0.68 0.02 . 1 . . . A 96 ILE HD11 . 19550 1 1079 . 1 1 92 92 ILE HD12 H 1 0.68 0.02 . 1 . . . A 96 ILE HD12 . 19550 1 1080 . 1 1 92 92 ILE HD13 H 1 0.68 0.02 . 1 . . . A 96 ILE HD13 . 19550 1 1081 . 1 1 92 92 ILE C C 13 175.91 0.25 . 1 . . . A 96 ILE C . 19550 1 1082 . 1 1 92 92 ILE CA C 13 61.10 0.25 . 1 . . . A 96 ILE CA . 19550 1 1083 . 1 1 92 92 ILE CB C 13 38.73 0.25 . 1 . . . A 96 ILE CB . 19550 1 1084 . 1 1 92 92 ILE CG1 C 13 27.20 0.25 . 1 . . . A 96 ILE CG1 . 19550 1 1085 . 1 1 92 92 ILE CG2 C 13 17.24 0.25 . 1 . . . A 96 ILE CG2 . 19550 1 1086 . 1 1 92 92 ILE CD1 C 13 12.85 0.25 . 1 . . . A 96 ILE CD1 . 19550 1 1087 . 1 1 92 92 ILE N N 15 121.80 0.15 . 1 . . . A 96 ILE N . 19550 1 1088 . 1 1 93 93 THR H H 1 8.01 0.02 . 1 . . . A 97 THR H . 19550 1 1089 . 1 1 93 93 THR HA H 1 4.19 0.02 . 1 . . . A 97 THR HA . 19550 1 1090 . 1 1 93 93 THR HB H 1 4.04 0.02 . 1 . . . A 97 THR HB . 19550 1 1091 . 1 1 93 93 THR HG21 H 1 1.08 0.02 . 1 . . . A 97 THR HG21 . 19550 1 1092 . 1 1 93 93 THR HG22 H 1 1.08 0.02 . 1 . . . A 97 THR HG22 . 19550 1 1093 . 1 1 93 93 THR HG23 H 1 1.08 0.02 . 1 . . . A 97 THR HG23 . 19550 1 1094 . 1 1 93 93 THR C C 13 174.03 0.25 . 1 . . . A 97 THR C . 19550 1 1095 . 1 1 93 93 THR CA C 13 61.67 0.25 . 1 . . . A 97 THR CA . 19550 1 1096 . 1 1 93 93 THR CB C 13 69.62 0.25 . 1 . . . A 97 THR CB . 19550 1 1097 . 1 1 93 93 THR CG2 C 13 21.51 0.25 . 1 . . . A 97 THR CG2 . 19550 1 1098 . 1 1 93 93 THR N N 15 118.29 0.15 . 1 . . . A 97 THR N . 19550 1 1099 . 1 1 94 94 LEU H H 1 8.12 0.02 . 1 . . . A 98 LEU H . 19550 1 1100 . 1 1 94 94 LEU HA H 1 4.24 0.02 . 1 . . . A 98 LEU HA . 19550 1 1101 . 1 1 94 94 LEU HB2 H 1 1.53 0.02 . 2 . . . A 98 LEU HB2 . 19550 1 1102 . 1 1 94 94 LEU HB3 H 1 1.48 0.02 . 2 . . . A 98 LEU HB3 . 19550 1 1103 . 1 1 94 94 LEU HG H 1 1.50 0.02 . 1 . . . A 98 LEU HG . 19550 1 1104 . 1 1 94 94 LEU HD11 H 1 0.74 0.02 . 2 . . . A 98 LEU HD11 . 19550 1 1105 . 1 1 94 94 LEU HD12 H 1 0.74 0.02 . 2 . . . A 98 LEU HD12 . 19550 1 1106 . 1 1 94 94 LEU HD13 H 1 0.74 0.02 . 2 . . . A 98 LEU HD13 . 19550 1 1107 . 1 1 94 94 LEU HD21 H 1 0.79 0.02 . 2 . . . A 98 LEU HD21 . 19550 1 1108 . 1 1 94 94 LEU HD22 H 1 0.79 0.02 . 2 . . . A 98 LEU HD22 . 19550 1 1109 . 1 1 94 94 LEU HD23 H 1 0.79 0.02 . 2 . . . A 98 LEU HD23 . 19550 1 1110 . 1 1 94 94 LEU C C 13 176.99 0.25 . 1 . . . A 98 LEU C . 19550 1 1111 . 1 1 94 94 LEU CA C 13 55.04 0.25 . 1 . . . A 98 LEU CA . 19550 1 1112 . 1 1 94 94 LEU CB C 13 42.27 0.25 . 1 . . . A 98 LEU CB . 19550 1 1113 . 1 1 94 94 LEU CG C 13 26.91 0.25 . 1 . . . A 98 LEU CG . 19550 1 1114 . 1 1 94 94 LEU CD1 C 13 23.46 0.25 . 2 . . . A 98 LEU CD1 . 19550 1 1115 . 1 1 94 94 LEU CD2 C 13 24.83 0.25 . 2 . . . A 98 LEU CD2 . 19550 1 1116 . 1 1 94 94 LEU N N 15 125.09 0.15 . 1 . . . A 98 LEU N . 19550 1 1117 . 1 1 95 95 GLU H H 1 8.24 0.02 . 1 . . . A 99 GLU H . 19550 1 1118 . 1 1 95 95 GLU HA H 1 4.15 0.02 . 1 . . . A 99 GLU HA . 19550 1 1119 . 1 1 95 95 GLU HB2 H 1 1.82 0.02 . 2 . . . A 99 GLU HB2 . 19550 1 1120 . 1 1 95 95 GLU HB3 H 1 1.94 0.02 . 2 . . . A 99 GLU HB3 . 19550 1 1121 . 1 1 95 95 GLU HG2 H 1 2.16 0.02 . 2 . . . A 99 GLU HG2 . 19550 1 1122 . 1 1 95 95 GLU HG3 H 1 2.12 0.02 . 2 . . . A 99 GLU HG3 . 19550 1 1123 . 1 1 95 95 GLU C C 13 175.28 0.25 . 1 . . . A 99 GLU C . 19550 1 1124 . 1 1 95 95 GLU CA C 13 56.48 0.25 . 1 . . . A 99 GLU CA . 19550 1 1125 . 1 1 95 95 GLU CB C 13 29.90 0.25 . 1 . . . A 99 GLU CB . 19550 1 1126 . 1 1 95 95 GLU CG C 13 36.25 0.25 . 1 . . . A 99 GLU CG . 19550 1 1127 . 1 1 95 95 GLU N N 15 122.40 0.15 . 1 . . . A 99 GLU N . 19550 1 1128 . 1 1 96 96 LYS H H 1 7.84 0.02 . 1 . . . A 100 LYS H . 19550 1 1129 . 1 1 96 96 LYS HA H 1 4.03 0.02 . 1 . . . A 100 LYS HA . 19550 1 1130 . 1 1 96 96 LYS HB2 H 1 1.59 0.02 . 2 . . . A 100 LYS HB2 . 19550 1 1131 . 1 1 96 96 LYS HB3 H 1 1.70 0.02 . 2 . . . A 100 LYS HB3 . 19550 1 1132 . 1 1 96 96 LYS HG2 H 1 1.27 0.02 . 2 . . . A 100 LYS HG2 . 19550 1 1133 . 1 1 96 96 LYS HG3 H 1 1.27 0.02 . 2 . . . A 100 LYS HG3 . 19550 1 1134 . 1 1 96 96 LYS HD2 H 1 1.54 0.02 . 2 . . . A 100 LYS HD2 . 19550 1 1135 . 1 1 96 96 LYS HD3 H 1 1.55 0.02 . 2 . . . A 100 LYS HD3 . 19550 1 1136 . 1 1 96 96 LYS HE2 H 1 2.85 0.02 . 2 . . . A 100 LYS HE2 . 19550 1 1137 . 1 1 96 96 LYS HE3 H 1 2.85 0.02 . 2 . . . A 100 LYS HE3 . 19550 1 1138 . 1 1 96 96 LYS CA C 13 57.48 0.25 . 1 . . . A 100 LYS CA . 19550 1 1139 . 1 1 96 96 LYS CB C 13 33.56 0.25 . 1 . . . A 100 LYS CB . 19550 1 1140 . 1 1 96 96 LYS CG C 13 24.64 0.25 . 1 . . . A 100 LYS CG . 19550 1 1141 . 1 1 96 96 LYS CD C 13 28.97 0.25 . 1 . . . A 100 LYS CD . 19550 1 1142 . 1 1 96 96 LYS CE C 13 41.87 0.25 . 1 . . . A 100 LYS CE . 19550 1 1143 . 1 1 96 96 LYS N N 15 127.44 0.15 . 1 . . . A 100 LYS N . 19550 1 stop_ save_