data_5326 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5326 _Entry.Title ; Structure of ALA24/ASP61 to ASP24/ASN61 substituted subunit C of Escherichia coli ATP synthase. Implications for the mechanism of proton transport and rotary movement in the F0 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-18 _Entry.Accession_date 2002-03-18 _Entry.Last_release_date 2002-06-13 _Entry.Original_release_date 2002-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Oleg Dmitriev . Y . 5326 2 Frits Abildgaard . . . 5326 3 John Markley . L . 5326 4 Robert Fillingame . H . 5326 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5326 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 349 5326 '15N chemical shifts' 83 5326 '1H chemical shifts' 557 5326 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 . . 2002-06-13 2002-03-18 original author . 5326 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1L6T 'BMRB Entry Tracking System' 5326 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5326 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21966003 _Citation.DOI . _Citation.PubMed_ID 11969414 _Citation.Full_citation . _Citation.Title ; Structure of Ala24/Asp61 --> Asp24/Asn61 Substituted Subunit C of Escherichia coli ATP Synthase: Implications for the Mechanism of Proton Transport and Rotary Movement in the F0 Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 17 _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 5537 _Citation.Page_last 5547 _Citation.Year 2002 _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 Oleg Dmitriev . Y . 5326 1 2 Frits Abildgaard . . . 5326 1 3 John Markley . L . 5326 1 4 Robert Fillingame . H . 5326 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_subunit_c _Assembly.Sf_category assembly _Assembly.Sf_framecode system_subunit_c _Assembly.Entry_ID 5326 _Assembly.ID 1 _Assembly.Name 'D24N61 mutant of ATP Synthase subunit c' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5326 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit c' 1 $subunit_c . . . native . . . . . 5326 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1L6T . . . . . . 5326 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'D24N61 mutant of ATP Synthase subunit c' system 5326 1 'subunit c' abbreviation 5326 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_subunit_c _Entity.Sf_category entity _Entity.Sf_framecode subunit_c _Entity.Entry_ID 5326 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'subunit c' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MENLNMDLLYMAAAVMMGLA AIGDAIGIGILGGKFLEGAA RQPDLIPLLRTQFFIVMGLV NAIPMIAVGLGLYVMFAVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 10021 . subunit_c . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 2 no BMRB 15564 . subunit_c_of_E._coli_F1F0_ATP_synthas . . . . . 100.00 79 98.73 98.73 2.61e-43 . . . . 5326 1 3 no BMRB 4146 . F1Fo-ATP-c . . . . . 98.73 79 97.44 98.72 6.74e-42 . . . . 5326 1 4 no BMRB 4151 . F1FO-ATP-c . . . . . 98.73 79 97.44 98.72 6.74e-42 . . . . 5326 1 5 no PDB 1A91 . "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 6 no PDB 1C0V . "Subunit C Of The F1fo Atp Synthase Of Escherichia Coli; Nmr, 10 Structures" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 7 no PDB 1C17 . "A1c12 Subcomplex Of F1fo Atp Synthase" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 8 no PDB 1C99 . "Asp61 Deprotonated Form Of Subunit C Of The F1fo Atp Synthase Of Escherichia Coli" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 9 no PDB 1L6T . "Structure Of Ala24ASP61 TO ASP24ASN61 SUBSTITUTED SUBUNIT C Of Escherichia Coli Atp Synthase" . . . . . 98.73 79 100.00 100.00 8.24e-44 . . . . 5326 1 10 no PDB 1QO1 . "Molecular Architecture Of The Rotary Motor In Atp Synthase From Yeast Mitochondria" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 11 no PDB 4UTQ . "A Structural Model Of The Active Ribosome-bound Membrane Protein Insertase Yidc" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 12 no DBJ BAB38102 . "membrane-bound ATP synthase subunit c AtpE [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 13 no DBJ BAE75684 . "ATP synthase subunit C [Sodalis glossinidius str. 'morsitans']" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 14 no DBJ BAE77551 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 15 no DBJ BAG79551 . "ATP synthase subunit C [Escherichia coli SE11]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 16 no DBJ BAH65925 . "ATP synthase subunit C [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 17 no EMBL CAA23515 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 18 no EMBL CAA23522 . "atpE [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 19 no EMBL CAA24752 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 20 no EMBL CAA25777 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 21 no EMBL CAD03125 . "ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 22 no GB AAA23668 . "dicyclohexylcarbodiimide-binding protein [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 23 no GB AAA24732 . "ATP synthase c subunit [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 24 no GB AAA62089 . "ATP synthase F0 subunit c; DCCD-binding protein [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 25 no GB AAA83870 . "integral membrane proton channel F0 subunit C [Escherichia coli]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 26 no GB AAC76760 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 27 no PIR AI0953 . "ATP synthase chain C [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 28 no REF NP_290376 . "ATP synthase F0F1 subunit C [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 29 no REF NP_312706 . "ATP synthase F0F1 subunit C [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 30 no REF NP_418193 . "F0 sector of membrane-bound ATP synthase, subunit c [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 31 no REF NP_458073 . "ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 32 no REF NP_462769 . "F0F1 ATP synthase subunit C [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 33 no SP A4TSI8 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 34 no SP A4WGF0 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 35 no SP A6TG41 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 36 no SP A7FPE5 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 37 no SP A7MMV9 . "RecName: Full=ATP synthase subunit c; AltName: Full=ATP synthase F(0) sector subunit c; AltName: Full=F-type ATPase subunit c; " . . . . . 100.00 79 97.47 98.73 1.50e-42 . . . . 5326 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID D24N61 variant 5326 1 'subunit c' abbreviation 5326 1 'subunit c' common 5326 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 . MET . 5326 1 2 . GLU . 5326 1 3 . ASN . 5326 1 4 . LEU . 5326 1 5 . ASN . 5326 1 6 . MET . 5326 1 7 . ASP . 5326 1 8 . LEU . 5326 1 9 . LEU . 5326 1 10 . TYR . 5326 1 11 . MET . 5326 1 12 . ALA . 5326 1 13 . ALA . 5326 1 14 . ALA . 5326 1 15 . VAL . 5326 1 16 . MET . 5326 1 17 . MET . 5326 1 18 . GLY . 5326 1 19 . LEU . 5326 1 20 . ALA . 5326 1 21 . ALA . 5326 1 22 . ILE . 5326 1 23 . GLY . 5326 1 24 . ASP . 5326 1 25 . ALA . 5326 1 26 . ILE . 5326 1 27 . GLY . 5326 1 28 . ILE . 5326 1 29 . GLY . 5326 1 30 . ILE . 5326 1 31 . LEU . 5326 1 32 . GLY . 5326 1 33 . GLY . 5326 1 34 . LYS . 5326 1 35 . PHE . 5326 1 36 . LEU . 5326 1 37 . GLU . 5326 1 38 . GLY . 5326 1 39 . ALA . 5326 1 40 . ALA . 5326 1 41 . ARG . 5326 1 42 . GLN . 5326 1 43 . PRO . 5326 1 44 . ASP . 5326 1 45 . LEU . 5326 1 46 . ILE . 5326 1 47 . PRO . 5326 1 48 . LEU . 5326 1 49 . LEU . 5326 1 50 . ARG . 5326 1 51 . THR . 5326 1 52 . GLN . 5326 1 53 . PHE . 5326 1 54 . PHE . 5326 1 55 . ILE . 5326 1 56 . VAL . 5326 1 57 . MET . 5326 1 58 . GLY . 5326 1 59 . LEU . 5326 1 60 . VAL . 5326 1 61 . ASN . 5326 1 62 . ALA . 5326 1 63 . ILE . 5326 1 64 . PRO . 5326 1 65 . MET . 5326 1 66 . ILE . 5326 1 67 . ALA . 5326 1 68 . VAL . 5326 1 69 . GLY . 5326 1 70 . LEU . 5326 1 71 . GLY . 5326 1 72 . LEU . 5326 1 73 . TYR . 5326 1 74 . VAL . 5326 1 75 . MET . 5326 1 76 . PHE . 5326 1 77 . ALA . 5326 1 78 . VAL . 5326 1 79 . ALA . 5326 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5326 1 . GLU 2 2 5326 1 . ASN 3 3 5326 1 . LEU 4 4 5326 1 . ASN 5 5 5326 1 . MET 6 6 5326 1 . ASP 7 7 5326 1 . LEU 8 8 5326 1 . LEU 9 9 5326 1 . TYR 10 10 5326 1 . MET 11 11 5326 1 . ALA 12 12 5326 1 . ALA 13 13 5326 1 . ALA 14 14 5326 1 . VAL 15 15 5326 1 . MET 16 16 5326 1 . MET 17 17 5326 1 . GLY 18 18 5326 1 . LEU 19 19 5326 1 . ALA 20 20 5326 1 . ALA 21 21 5326 1 . ILE 22 22 5326 1 . GLY 23 23 5326 1 . ASP 24 24 5326 1 . ALA 25 25 5326 1 . ILE 26 26 5326 1 . GLY 27 27 5326 1 . ILE 28 28 5326 1 . GLY 29 29 5326 1 . ILE 30 30 5326 1 . LEU 31 31 5326 1 . GLY 32 32 5326 1 . GLY 33 33 5326 1 . LYS 34 34 5326 1 . PHE 35 35 5326 1 . LEU 36 36 5326 1 . GLU 37 37 5326 1 . GLY 38 38 5326 1 . ALA 39 39 5326 1 . ALA 40 40 5326 1 . ARG 41 41 5326 1 . GLN 42 42 5326 1 . PRO 43 43 5326 1 . ASP 44 44 5326 1 . LEU 45 45 5326 1 . ILE 46 46 5326 1 . PRO 47 47 5326 1 . LEU 48 48 5326 1 . LEU 49 49 5326 1 . ARG 50 50 5326 1 . THR 51 51 5326 1 . GLN 52 52 5326 1 . PHE 53 53 5326 1 . PHE 54 54 5326 1 . ILE 55 55 5326 1 . VAL 56 56 5326 1 . MET 57 57 5326 1 . GLY 58 58 5326 1 . LEU 59 59 5326 1 . VAL 60 60 5326 1 . ASN 61 61 5326 1 . ALA 62 62 5326 1 . ILE 63 63 5326 1 . PRO 64 64 5326 1 . MET 65 65 5326 1 . ILE 66 66 5326 1 . ALA 67 67 5326 1 . VAL 68 68 5326 1 . GLY 69 69 5326 1 . LEU 70 70 5326 1 . GLY 71 71 5326 1 . LEU 72 72 5326 1 . TYR 73 73 5326 1 . VAL 74 74 5326 1 . MET 75 75 5326 1 . PHE 76 76 5326 1 . ALA 77 77 5326 1 . VAL 78 78 5326 1 . ALA 79 79 5326 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 5326 _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 $subunit_c . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli JH618 . . . . . . . . . . . . . . . uncE . . . . 5326 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 5326 _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 $subunit_c . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5326 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'subunit c' '[U-98% 13C; U-98% 15N]' . . 1 $subunit_c . . 2.0 . . mM . . . . 5326 1 2 CDCl3 . . . . . . . 44.4 . . '% v/v' . . . . 5326 1 3 CD3OH . . . . . . . 44.4 . . '% v/v' . . . . 5326 1 4 H20 . . . . . . . 11.1 . . '% v/v' . . . . 5326 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5326 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.3 n/a 5326 1 temperature 300 0.5 K 5326 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5326 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5326 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer BRUKER DMX . 500 . . . 5326 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5326 _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 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 5 HCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 6 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 7 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 8 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 10 HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 11 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 12 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 13 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 14 '1H-13C-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 15 '1H-13C-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 16 NOE-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5326 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '1H-13C-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '1H-13C-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5326 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name NOE-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5326 _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 TMS 'methyl protons' . . . . ppm 0.00 internal indirect 0.25145002 internal cylindrical parallel . . . . . . 5326 1 H 1 TMS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 internal cylindrical parallel . . . . . . 5326 1 N 15 TMS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329144 internal cylindrical parallel . . . . . . 5326 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5326 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5326 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 MET H H 1 8.61 0.015 . 1 . . . . . . . . 5326 1 2 . 1 1 1 1 MET HA H 1 4.48 0.03 . 1 . . . . . . . . 5326 1 3 . 1 1 1 1 MET HB2 H 1 2.04 0.03 . 2 . . . . . . . . 5326 1 4 . 1 1 1 1 MET HB3 H 1 2.14 0.03 . 2 . . . . . . . . 5326 1 5 . 1 1 1 1 MET HG2 H 1 2.58 0.03 . 2 . . . . . . . . 5326 1 6 . 1 1 1 1 MET HG3 H 1 2.64 0.03 . 2 . . . . . . . . 5326 1 7 . 1 1 1 1 MET C C 13 176.4 0.3 . 1 . . . . . . . . 5326 1 8 . 1 1 1 1 MET CA C 13 55.4 0.3 . 1 . . . . . . . . 5326 1 9 . 1 1 1 1 MET CB C 13 33.1 0.3 . 1 . . . . . . . . 5326 1 10 . 1 1 1 1 MET CG C 13 32.9 0.3 . 1 . . . . . . . . 5326 1 11 . 1 1 1 1 MET N N 15 127.3 0.2 . 1 . . . . . . . . 5326 1 12 . 1 1 2 2 GLU H H 1 8.82 0.015 . 1 . . . . . . . . 5326 1 13 . 1 1 2 2 GLU HA H 1 4.28 0.03 . 1 . . . . . . . . 5326 1 14 . 1 1 2 2 GLU HB2 H 1 2.08 0.03 . 1 . . . . . . . . 5326 1 15 . 1 1 2 2 GLU HB3 H 1 2.08 0.03 . 1 . . . . . . . . 5326 1 16 . 1 1 2 2 GLU HG2 H 1 2.43 0.03 . 1 . . . . . . . . 5326 1 17 . 1 1 2 2 GLU HG3 H 1 2.43 0.03 . 1 . . . . . . . . 5326 1 18 . 1 1 2 2 GLU C C 13 175.9 0.3 . 1 . . . . . . . . 5326 1 19 . 1 1 2 2 GLU CA C 13 57.9 0.3 . 1 . . . . . . . . 5326 1 20 . 1 1 2 2 GLU CB C 13 28.5 0.3 . 1 . . . . . . . . 5326 1 21 . 1 1 2 2 GLU CG C 13 34.0 0.3 . 1 . . . . . . . . 5326 1 22 . 1 1 2 2 GLU N N 15 119.6 0.2 . 1 . . . . . . . . 5326 1 23 . 1 1 3 3 ASN H H 1 8.13 0.015 . 1 . . . . . . . . 5326 1 24 . 1 1 3 3 ASN HA H 1 4.60 0.03 . 1 . . . . . . . . 5326 1 25 . 1 1 3 3 ASN HB2 H 1 2.76 0.03 . 2 . . . . . . . . 5326 1 26 . 1 1 3 3 ASN HB3 H 1 2.88 0.03 . 2 . . . . . . . . 5326 1 27 . 1 1 3 3 ASN HD21 H 1 6.85 0.03 . 2 . . . . . . . . 5326 1 28 . 1 1 3 3 ASN HD22 H 1 7.67 0.03 . 2 . . . . . . . . 5326 1 29 . 1 1 3 3 ASN ND2 N 15 110.7 0.2 . 1 . . . . . . . . 5326 1 30 . 1 1 3 3 ASN C C 13 175.8 0.3 . 1 . . . . . . . . 5326 1 31 . 1 1 3 3 ASN CA C 13 54.6 0.3 . 1 . . . . . . . . 5326 1 32 . 1 1 3 3 ASN CB C 13 38.9 0.3 . 1 . . . . . . . . 5326 1 33 . 1 1 3 3 ASN N N 15 118.0 0.2 . 1 . . . . . . . . 5326 1 34 . 1 1 4 4 LEU H H 1 8.11 0.015 . 1 . . . . . . . . 5326 1 35 . 1 1 4 4 LEU HA H 1 4.19 0.03 . 1 . . . . . . . . 5326 1 36 . 1 1 4 4 LEU HB2 H 1 1.70 0.03 . 2 . . . . . . . . 5326 1 37 . 1 1 4 4 LEU HB3 H 1 1.73 0.03 . 2 . . . . . . . . 5326 1 38 . 1 1 4 4 LEU HG H 1 1.70 0.03 . 1 . . . . . . . . 5326 1 39 . 1 1 4 4 LEU HD11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 40 . 1 1 4 4 LEU HD12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 41 . 1 1 4 4 LEU HD13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 42 . 1 1 4 4 LEU C C 13 177.8 0.3 . 1 . . . . . . . . 5326 1 43 . 1 1 4 4 LEU CA C 13 57.9 0.3 . 1 . . . . . . . . 5326 1 44 . 1 1 4 4 LEU CB C 13 42.2 0.3 . 1 . . . . . . . . 5326 1 45 . 1 1 4 4 LEU CG C 13 27.6 0.3 . 1 . . . . . . . . 5326 1 46 . 1 1 4 4 LEU CD1 C 13 24.9 0.3 . 1 . . . . . . . . 5326 1 47 . 1 1 4 4 LEU N N 15 122.1 0.2 . 1 . . . . . . . . 5326 1 48 . 1 1 5 5 ASN H H 1 8.04 0.015 . 1 . . . . . . . . 5326 1 49 . 1 1 5 5 ASN HA H 1 4.46 0.03 . 1 . . . . . . . . 5326 1 50 . 1 1 5 5 ASN HB2 H 1 2.76 0.03 . 2 . . . . . . . . 5326 1 51 . 1 1 5 5 ASN HB3 H 1 2.90 0.03 . 2 . . . . . . . . 5326 1 52 . 1 1 5 5 ASN ND2 N 15 108.7 0.2 . 1 . . . . . . . . 5326 1 53 . 1 1 5 5 ASN HD21 H 1 6.59 0.03 . 2 . . . . . . . . 5326 1 54 . 1 1 5 5 ASN HD22 H 1 7.44 0.03 . 2 . . . . . . . . 5326 1 55 . 1 1 5 5 ASN C C 13 177.3 0.3 . 1 . . . . . . . . 5326 1 56 . 1 1 5 5 ASN CA C 13 56.5 0.3 . 1 . . . . . . . . 5326 1 57 . 1 1 5 5 ASN CB C 13 38.5 0.3 . 1 . . . . . . . . 5326 1 58 . 1 1 5 5 ASN N N 15 115.8 0.2 . 1 . . . . . . . . 5326 1 59 . 1 1 6 6 MET H H 1 7.93 0.015 . 1 . . . . . . . . 5326 1 60 . 1 1 6 6 MET HA H 1 4.24 0.03 . 1 . . . . . . . . 5326 1 61 . 1 1 6 6 MET HB2 H 1 2.15 0.03 . 2 . . . . . . . . 5326 1 62 . 1 1 6 6 MET HG2 H 1 2.58 0.03 . 2 . . . . . . . . 5326 1 63 . 1 1 6 6 MET HG3 H 1 2.65 0.03 . 2 . . . . . . . . 5326 1 64 . 1 1 6 6 MET C C 13 177.5 0.3 . 1 . . . . . . . . 5326 1 65 . 1 1 6 6 MET CA C 13 57.9 0.3 . 1 . . . . . . . . 5326 1 66 . 1 1 6 6 MET CB C 13 32.3 0.3 . 1 . . . . . . . . 5326 1 67 . 1 1 6 6 MET CG C 13 32.8 0.3 . 1 . . . . . . . . 5326 1 68 . 1 1 6 6 MET N N 15 118.1 0.2 . 1 . . . . . . . . 5326 1 69 . 1 1 7 7 ASP H H 1 8.12 0.015 . 1 . . . . . . . . 5326 1 70 . 1 1 7 7 ASP HA H 1 4.48 0.03 . 1 . . . . . . . . 5326 1 71 . 1 1 7 7 ASP HB2 H 1 2.82 0.03 . 2 . . . . . . . . 5326 1 72 . 1 1 7 7 ASP HB3 H 1 3.15 0.03 . 2 . . . . . . . . 5326 1 73 . 1 1 7 7 ASP C C 13 177.3 0.3 . 1 . . . . . . . . 5326 1 74 . 1 1 7 7 ASP CA C 13 56.7 0.3 . 1 . . . . . . . . 5326 1 75 . 1 1 7 7 ASP CB C 13 37.9 0.3 . 1 . . . . . . . . 5326 1 76 . 1 1 7 7 ASP N N 15 117.9 0.2 . 1 . . . . . . . . 5326 1 77 . 1 1 8 8 LEU H H 1 8.08 0.015 . 1 . . . . . . . . 5326 1 78 . 1 1 8 8 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5326 1 79 . 1 1 8 8 LEU HB2 H 1 1.67 0.03 . 2 . . . . . . . . 5326 1 80 . 1 1 8 8 LEU HB3 H 1 1.93 0.03 . 2 . . . . . . . . 5326 1 81 . 1 1 8 8 LEU HG H 1 1.92 0.03 . 1 . . . . . . . . 5326 1 82 . 1 1 8 8 LEU HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 83 . 1 1 8 8 LEU HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 84 . 1 1 8 8 LEU HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 85 . 1 1 8 8 LEU HD21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 86 . 1 1 8 8 LEU HD22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 87 . 1 1 8 8 LEU HD23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 88 . 1 1 8 8 LEU C C 13 178.6 0.3 . 1 . . . . . . . . 5326 1 89 . 1 1 8 8 LEU CA C 13 58.4 0.3 . 1 . . . . . . . . 5326 1 90 . 1 1 8 8 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 5326 1 91 . 1 1 8 8 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1 92 . 1 1 8 8 LEU CD1 C 13 23.9 0.3 . 1 . . . . . . . . 5326 1 93 . 1 1 8 8 LEU CD2 C 13 25.8 0.3 . 1 . . . . . . . . 5326 1 94 . 1 1 8 8 LEU N N 15 119.3 0.2 . 1 . . . . . . . . 5326 1 95 . 1 1 9 9 LEU H H 1 7.75 0.015 . 1 . . . . . . . . 5326 1 96 . 1 1 9 9 LEU HA H 1 4.11 0.03 . 1 . . . . . . . . 5326 1 97 . 1 1 9 9 LEU HB2 H 1 1.70 0.03 . 2 . . . . . . . . 5326 1 98 . 1 1 9 9 LEU HB3 H 1 1.87 0.03 . 2 . . . . . . . . 5326 1 99 . 1 1 9 9 LEU HG H 1 1.83 0.03 . 1 . . . . . . . . 5326 1 100 . 1 1 9 9 LEU HD11 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 101 . 1 1 9 9 LEU HD12 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 102 . 1 1 9 9 LEU HD13 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 103 . 1 1 9 9 LEU HD21 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 104 . 1 1 9 9 LEU HD22 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 105 . 1 1 9 9 LEU HD23 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 106 . 1 1 9 9 LEU C C 13 178.8 0.3 . 1 . . . . . . . . 5326 1 107 . 1 1 9 9 LEU CA C 13 58.4 0.3 . 1 . . . . . . . . 5326 1 108 . 1 1 9 9 LEU CB C 13 41.8 0.3 . 1 . . . . . . . . 5326 1 109 . 1 1 9 9 LEU CG C 13 27.4 0.3 . 1 . . . . . . . . 5326 1 110 . 1 1 9 9 LEU CD1 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1 111 . 1 1 9 9 LEU CD2 C 13 24.4 0.3 . 1 . . . . . . . . 5326 1 112 . 1 1 9 9 LEU N N 15 119.4 0.2 . 1 . . . . . . . . 5326 1 113 . 1 1 10 10 TYR H H 1 8.26 0.015 . 1 . . . . . . . . 5326 1 114 . 1 1 10 10 TYR HA H 1 4.24 0.03 . 1 . . . . . . . . 5326 1 115 . 1 1 10 10 TYR HB2 H 1 3.20 0.03 . 2 . . . . . . . . 5326 1 116 . 1 1 10 10 TYR HD1 H 1 7.13 0.03 . 1 . . . . . . . . 5326 1 117 . 1 1 10 10 TYR HD2 H 1 7.13 0.03 . 1 . . . . . . . . 5326 1 118 . 1 1 10 10 TYR HE1 H 1 6.76 0.03 . 1 . . . . . . . . 5326 1 119 . 1 1 10 10 TYR HE2 H 1 6.76 0.03 . 1 . . . . . . . . 5326 1 120 . 1 1 10 10 TYR C C 13 178.2 0.3 . 1 . . . . . . . . 5326 1 121 . 1 1 10 10 TYR CA C 13 61.5 0.3 . 1 . . . . . . . . 5326 1 122 . 1 1 10 10 TYR CB C 13 38.4 0.3 . 1 . . . . . . . . 5326 1 123 . 1 1 10 10 TYR CD1 C 13 132.7 0.3 . 1 . . . . . . . . 5326 1 124 . 1 1 10 10 TYR CD2 C 13 132.7 0.3 . 1 . . . . . . . . 5326 1 125 . 1 1 10 10 TYR CE1 C 13 117.8 0.3 . 1 . . . . . . . . 5326 1 126 . 1 1 10 10 TYR CE2 C 13 117.8 0.3 . 1 . . . . . . . . 5326 1 127 . 1 1 10 10 TYR N N 15 118.4 0.2 . 1 . . . . . . . . 5326 1 128 . 1 1 11 11 MET H H 1 8.25 0.015 . 1 . . . . . . . . 5326 1 129 . 1 1 11 11 MET HA H 1 4.15 0.03 . 1 . . . . . . . . 5326 1 130 . 1 1 11 11 MET HB2 H 1 2.26 0.03 . 2 . . . . . . . . 5326 1 131 . 1 1 11 11 MET HB3 H 1 2.33 0.03 . 2 . . . . . . . . 5326 1 132 . 1 1 11 11 MET HG2 H 1 2.65 0.03 . 2 . . . . . . . . 5326 1 133 . 1 1 11 11 MET HG3 H 1 2.80 0.03 . 2 . . . . . . . . 5326 1 134 . 1 1 11 11 MET C C 13 177.6 0.3 . 1 . . . . . . . . 5326 1 135 . 1 1 11 11 MET CA C 13 59.2 0.3 . 1 . . . . . . . . 5326 1 136 . 1 1 11 11 MET CB C 13 33.1 0.3 . 1 . . . . . . . . 5326 1 137 . 1 1 11 11 MET CG C 13 33.3 0.3 . 1 . . . . . . . . 5326 1 138 . 1 1 11 11 MET N N 15 117.7 0.2 . 1 . . . . . . . . 5326 1 139 . 1 1 12 12 ALA H H 1 8.45 0.015 . 1 . . . . . . . . 5326 1 140 . 1 1 12 12 ALA HA H 1 4.07 0.03 . 1 . . . . . . . . 5326 1 141 . 1 1 12 12 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 142 . 1 1 12 12 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 143 . 1 1 12 12 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 144 . 1 1 12 12 ALA C C 13 179.3 0.3 . 1 . . . . . . . . 5326 1 145 . 1 1 12 12 ALA CA C 13 55.7 0.3 . 1 . . . . . . . . 5326 1 146 . 1 1 12 12 ALA CB C 13 18.4 0.3 . 1 . . . . . . . . 5326 1 147 . 1 1 12 12 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 5326 1 148 . 1 1 13 13 ALA H H 1 8.29 0.015 . 1 . . . . . . . . 5326 1 149 . 1 1 13 13 ALA HA H 1 4.05 0.03 . 1 . . . . . . . . 5326 1 150 . 1 1 13 13 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 151 . 1 1 13 13 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 152 . 1 1 13 13 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 153 . 1 1 13 13 ALA C C 13 179.2 0.3 . 1 . . . . . . . . 5326 1 154 . 1 1 13 13 ALA CA C 13 55.7 0.3 . 1 . . . . . . . . 5326 1 155 . 1 1 13 13 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 5326 1 156 . 1 1 13 13 ALA N N 15 119.8 0.2 . 1 . . . . . . . . 5326 1 157 . 1 1 14 14 ALA H H 1 8.21 0.015 . 1 . . . . . . . . 5326 1 158 . 1 1 14 14 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . 5326 1 159 . 1 1 14 14 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 160 . 1 1 14 14 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 161 . 1 1 14 14 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 162 . 1 1 14 14 ALA C C 13 180.6 0.3 . 1 . . . . . . . . 5326 1 163 . 1 1 14 14 ALA CA C 13 55.8 0.3 . 1 . . . . . . . . 5326 1 164 . 1 1 14 14 ALA CB C 13 18.4 0.3 . 1 . . . . . . . . 5326 1 165 . 1 1 14 14 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1 166 . 1 1 15 15 VAL H H 1 8.33 0.015 . 1 . . . . . . . . 5326 1 167 . 1 1 15 15 VAL HA H 1 3.71 0.03 . 1 . . . . . . . . 5326 1 168 . 1 1 15 15 VAL HB H 1 2.28 0.03 . 1 . . . . . . . . 5326 1 169 . 1 1 15 15 VAL HG11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 170 . 1 1 15 15 VAL HG12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 171 . 1 1 15 15 VAL HG13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 172 . 1 1 15 15 VAL HG21 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 173 . 1 1 15 15 VAL HG22 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 174 . 1 1 15 15 VAL HG23 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 175 . 1 1 15 15 VAL C C 13 178.2 0.3 . 1 . . . . . . . . 5326 1 176 . 1 1 15 15 VAL CA C 13 67.0 0.3 . 1 . . . . . . . . 5326 1 177 . 1 1 15 15 VAL CB C 13 31.8 0.3 . 1 . . . . . . . . 5326 1 178 . 1 1 15 15 VAL CG1 C 13 21.8 0.3 . 2 . . . . . . . . 5326 1 179 . 1 1 15 15 VAL CG2 C 13 23.6 0.3 . 2 . . . . . . . . 5326 1 180 . 1 1 15 15 VAL N N 15 119.0 0.2 . 1 . . . . . . . . 5326 1 181 . 1 1 16 16 MET H H 1 8.34 0.015 . 1 . . . . . . . . 5326 1 182 . 1 1 16 16 MET HA H 1 4.14 0.03 . 1 . . . . . . . . 5326 1 183 . 1 1 16 16 MET HB2 H 1 2.20 0.03 . 2 . . . . . . . . 5326 1 184 . 1 1 16 16 MET HB3 H 1 2.30 0.03 . 2 . . . . . . . . 5326 1 185 . 1 1 16 16 MET HG2 H 1 2.63 0.03 . 2 . . . . . . . . 5326 1 186 . 1 1 16 16 MET HG3 H 1 2.78 0.03 . 2 . . . . . . . . 5326 1 187 . 1 1 16 16 MET C C 13 178.6 0.3 . 1 . . . . . . . . 5326 1 188 . 1 1 16 16 MET CA C 13 59.6 0.3 . 1 . . . . . . . . 5326 1 189 . 1 1 16 16 MET CB C 13 32.9 0.3 . 1 . . . . . . . . 5326 1 190 . 1 1 16 16 MET CG C 13 33.0 0.3 . 1 . . . . . . . . 5326 1 191 . 1 1 16 16 MET N N 15 118.5 0.2 . 1 . . . . . . . . 5326 1 192 . 1 1 17 17 MET H H 1 8.59 0.015 . 1 . . . . . . . . 5326 1 193 . 1 1 17 17 MET HA H 1 4.18 0.03 . 1 . . . . . . . . 5326 1 194 . 1 1 17 17 MET HB2 H 1 2.17 0.03 . 2 . . . . . . . . 5326 1 195 . 1 1 17 17 MET HB3 H 1 2.30 0.03 . 2 . . . . . . . . 5326 1 196 . 1 1 17 17 MET HG2 H 1 2.62 0.03 . 2 . . . . . . . . 5326 1 197 . 1 1 17 17 MET HG3 H 1 2.80 0.03 . 2 . . . . . . . . 5326 1 198 . 1 1 17 17 MET C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1 199 . 1 1 17 17 MET CA C 13 59.2 0.3 . 1 . . . . . . . . 5326 1 200 . 1 1 17 17 MET CB C 13 33.1 0.3 . 1 . . . . . . . . 5326 1 201 . 1 1 17 17 MET CG C 13 33.2 0.3 . 1 . . . . . . . . 5326 1 202 . 1 1 17 17 MET N N 15 117.7 0.2 . 1 . . . . . . . . 5326 1 203 . 1 1 18 18 GLY H H 1 8.39 0.015 . 1 . . . . . . . . 5326 1 204 . 1 1 18 18 GLY HA3 H 1 3.89 0.03 . 2 . . . . . . . . 5326 1 205 . 1 1 18 18 GLY C C 13 175.4 0.3 . 1 . . . . . . . . 5326 1 206 . 1 1 18 18 GLY CA C 13 47.9 0.3 . 1 . . . . . . . . 5326 1 207 . 1 1 18 18 GLY N N 15 107.7 0.2 . 1 . . . . . . . . 5326 1 208 . 1 1 19 19 LEU H H 1 8.52 0.015 . 1 . . . . . . . . 5326 1 209 . 1 1 19 19 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5326 1 210 . 1 1 19 19 LEU HB2 H 1 1.54 0.03 . 2 . . . . . . . . 5326 1 211 . 1 1 19 19 LEU HB3 H 1 2.03 0.03 . 2 . . . . . . . . 5326 1 212 . 1 1 19 19 LEU HG H 1 1.98 0.03 . 1 . . . . . . . . 5326 1 213 . 1 1 19 19 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 214 . 1 1 19 19 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 215 . 1 1 19 19 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 216 . 1 1 19 19 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 217 . 1 1 19 19 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 218 . 1 1 19 19 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 219 . 1 1 19 19 LEU C C 13 179.7 0.3 . 1 . . . . . . . . 5326 1 220 . 1 1 19 19 LEU CA C 13 58.1 0.3 . 1 . . . . . . . . 5326 1 221 . 1 1 19 19 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 5326 1 222 . 1 1 19 19 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1 223 . 1 1 19 19 LEU CD1 C 13 23.9 0.3 . 2 . . . . . . . . 5326 1 224 . 1 1 19 19 LEU CD2 C 13 26.0 0.3 . 2 . . . . . . . . 5326 1 225 . 1 1 19 19 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 5326 1 226 . 1 1 20 20 ALA H H 1 8.27 0.015 . 1 . . . . . . . . 5326 1 227 . 1 1 20 20 ALA HA H 1 4.14 0.03 . 1 . . . . . . . . 5326 1 228 . 1 1 20 20 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 229 . 1 1 20 20 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 230 . 1 1 20 20 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 231 . 1 1 20 20 ALA C C 13 179.2 0.3 . 1 . . . . . . . . 5326 1 232 . 1 1 20 20 ALA CA C 13 55.7 0.3 . 1 . . . . . . . . 5326 1 233 . 1 1 20 20 ALA CB C 13 18.4 0.3 . 1 . . . . . . . . 5326 1 234 . 1 1 20 20 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 5326 1 235 . 1 1 21 21 ALA H H 1 8.22 0.015 . 1 . . . . . . . . 5326 1 236 . 1 1 21 21 ALA HA H 1 4.18 0.03 . 1 . . . . . . . . 5326 1 237 . 1 1 21 21 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 238 . 1 1 21 21 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 239 . 1 1 21 21 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 240 . 1 1 21 21 ALA C C 13 180.2 0.3 . 1 . . . . . . . . 5326 1 241 . 1 1 21 21 ALA CA C 13 55.7 0.3 . 1 . . . . . . . . 5326 1 242 . 1 1 21 21 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 5326 1 243 . 1 1 21 21 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1 244 . 1 1 22 22 ILE H H 1 8.16 0.015 . 1 . . . . . . . . 5326 1 245 . 1 1 22 22 ILE HA H 1 3.78 0.03 . 1 . . . . . . . . 5326 1 246 . 1 1 22 22 ILE HB H 1 2.05 0.03 . 1 . . . . . . . . 5326 1 247 . 1 1 22 22 ILE HG12 H 1 1.18 0.03 . 2 . . . . . . . . 5326 1 248 . 1 1 22 22 ILE HG13 H 1 1.93 0.03 . 2 . . . . . . . . 5326 1 249 . 1 1 22 22 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 250 . 1 1 22 22 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 251 . 1 1 22 22 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 252 . 1 1 22 22 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 253 . 1 1 22 22 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 254 . 1 1 22 22 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 255 . 1 1 22 22 ILE C C 13 178.1 0.3 . 1 . . . . . . . . 5326 1 256 . 1 1 22 22 ILE CA C 13 65.3 0.3 . 1 . . . . . . . . 5326 1 257 . 1 1 22 22 ILE CB C 13 38.4 0.3 . 1 . . . . . . . . 5326 1 258 . 1 1 22 22 ILE CG1 C 13 29.6 0.3 . 2 . . . . . . . . 5326 1 259 . 1 1 22 22 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1 260 . 1 1 22 22 ILE CD1 C 13 13.6 0.3 . 1 . . . . . . . . 5326 1 261 . 1 1 22 22 ILE N N 15 118.6 0.2 . 1 . . . . . . . . 5326 1 262 . 1 1 23 23 GLY H H 1 8.52 0.015 . 1 . . . . . . . . 5326 1 263 . 1 1 23 23 GLY HA2 H 1 3.88 0.03 . 2 . . . . . . . . 5326 1 264 . 1 1 23 23 GLY HA3 H 1 3.81 0.03 . 2 . . . . . . . . 5326 1 265 . 1 1 23 23 GLY C C 13 176.2 0.3 . 1 . . . . . . . . 5326 1 266 . 1 1 23 23 GLY CA C 13 48.1 0.3 . 1 . . . . . . . . 5326 1 267 . 1 1 23 23 GLY N N 15 106.6 0.2 . 1 . . . . . . . . 5326 1 268 . 1 1 24 24 ASP H H 1 8.64 0.015 . 1 . . . . . . . . 5326 1 269 . 1 1 24 24 ASP HA H 1 4.57 0.03 . 1 . . . . . . . . 5326 1 270 . 1 1 24 24 ASP HB2 H 1 3.18 0.03 . 2 . . . . . . . . 5326 1 271 . 1 1 24 24 ASP HB3 H 1 2.78 0.03 . 2 . . . . . . . . 5326 1 272 . 1 1 24 24 ASP C C 13 176.7 0.3 . 1 . . . . . . . . 5326 1 273 . 1 1 24 24 ASP CA C 13 56.2 0.3 . 1 . . . . . . . . 5326 1 274 . 1 1 24 24 ASP CB C 13 37.8 0.3 . 1 . . . . . . . . 5326 1 275 . 1 1 24 24 ASP N N 15 120.7 0.2 . 1 . . . . . . . . 5326 1 276 . 1 1 25 25 ALA H H 1 8.20 0.015 . 1 . . . . . . . . 5326 1 277 . 1 1 25 25 ALA HA H 1 4.08 0.03 . 1 . . . . . . . . 5326 1 278 . 1 1 25 25 ALA HB1 H 1 1.7 0.03 . 1 . . . . . . . . 5326 1 279 . 1 1 25 25 ALA HB2 H 1 1.7 0.03 . 1 . . . . . . . . 5326 1 280 . 1 1 25 25 ALA HB3 H 1 1.7 0.03 . 1 . . . . . . . . 5326 1 281 . 1 1 25 25 ALA C C 13 180.2 0.3 . 1 . . . . . . . . 5326 1 282 . 1 1 25 25 ALA CA C 13 55.9 0.3 . 1 . . . . . . . . 5326 1 283 . 1 1 25 25 ALA CB C 13 18.6 0.3 . 1 . . . . . . . . 5326 1 284 . 1 1 25 25 ALA N N 15 122.4 0.2 . 1 . . . . . . . . 5326 1 285 . 1 1 26 26 ILE H H 1 8.48 0.015 . 1 . . . . . . . . 5326 1 286 . 1 1 26 26 ILE HA H 1 3.79 0.03 . 1 . . . . . . . . 5326 1 287 . 1 1 26 26 ILE HB H 1 2.04 0.03 . 1 . . . . . . . . 5326 1 288 . 1 1 26 26 ILE HG12 H 1 1.17 0.03 . 2 . . . . . . . . 5326 1 289 . 1 1 26 26 ILE HG13 H 1 1.96 0.03 . 2 . . . . . . . . 5326 1 290 . 1 1 26 26 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 291 . 1 1 26 26 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 292 . 1 1 26 26 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 293 . 1 1 26 26 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 294 . 1 1 26 26 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 295 . 1 1 26 26 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 296 . 1 1 26 26 ILE C C 13 178.4 0.3 . 1 . . . . . . . . 5326 1 297 . 1 1 26 26 ILE CA C 13 65.2 0.3 . 1 . . . . . . . . 5326 1 298 . 1 1 26 26 ILE CB C 13 38.2 0.3 . 1 . . . . . . . . 5326 1 299 . 1 1 26 26 ILE CG1 C 13 29.6 0.3 . 2 . . . . . . . . 5326 1 300 . 1 1 26 26 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1 301 . 1 1 26 26 ILE CD1 C 13 13.6 0.3 . 1 . . . . . . . . 5326 1 302 . 1 1 26 26 ILE N N 15 118.6 0.2 . 1 . . . . . . . . 5326 1 303 . 1 1 27 27 GLY H H 1 8.45 0.015 . 1 . . . . . . . . 5326 1 304 . 1 1 27 27 GLY HA3 H 1 3.94 0.03 . 2 . . . . . . . . 5326 1 305 . 1 1 27 27 GLY HA2 H 1 3.80 0.03 . 2 . . . . . . . . 5326 1 306 . 1 1 27 27 GLY C C 13 175.4 0.3 . 1 . . . . . . . . 5326 1 307 . 1 1 27 27 GLY CA C 13 48.2 0.3 . 1 . . . . . . . . 5326 1 308 . 1 1 27 27 GLY N N 15 106.9 0.2 . 1 . . . . . . . . 5326 1 309 . 1 1 28 28 ILE H H 1 8.49 0.015 . 1 . . . . . . . . 5326 1 310 . 1 1 28 28 ILE HA H 1 3.80 0.03 . 1 . . . . . . . . 5326 1 311 . 1 1 28 28 ILE HB H 1 2.03 0.03 . 1 . . . . . . . . 5326 1 312 . 1 1 28 28 ILE HG12 H 1 1.26 0.03 . 2 . . . . . . . . 5326 1 313 . 1 1 28 28 ILE HG13 H 1 1.82 0.03 . 2 . . . . . . . . 5326 1 314 . 1 1 28 28 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 315 . 1 1 28 28 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 316 . 1 1 28 28 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 317 . 1 1 28 28 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 318 . 1 1 28 28 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 319 . 1 1 28 28 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 320 . 1 1 28 28 ILE C C 13 178.4 0.3 . 1 . . . . . . . . 5326 1 321 . 1 1 28 28 ILE CA C 13 65.0 0.3 . 1 . . . . . . . . 5326 1 322 . 1 1 28 28 ILE CB C 13 37.8 0.3 . 1 . . . . . . . . 5326 1 323 . 1 1 28 28 ILE CG1 C 13 29.6 0.3 . 2 . . . . . . . . 5326 1 324 . 1 1 28 28 ILE CG2 C 13 17.9 0.3 . 2 . . . . . . . . 5326 1 325 . 1 1 28 28 ILE CD1 C 13 13.6 0.3 . 1 . . . . . . . . 5326 1 326 . 1 1 28 28 ILE N N 15 121.3 0.2 . 1 . . . . . . . . 5326 1 327 . 1 1 29 29 GLY H H 1 8.19 0.015 . 1 . . . . . . . . 5326 1 328 . 1 1 29 29 GLY HA3 H 1 3.91 0.03 . 2 . . . . . . . . 5326 1 329 . 1 1 29 29 GLY C C 13 176.4 0.3 . 1 . . . . . . . . 5326 1 330 . 1 1 29 29 GLY CA C 13 47.9 0.3 . 1 . . . . . . . . 5326 1 331 . 1 1 29 29 GLY N N 15 108.4 0.2 . 1 . . . . . . . . 5326 1 332 . 1 1 30 30 ILE H H 1 8.53 0.015 . 1 . . . . . . . . 5326 1 333 . 1 1 30 30 ILE HA H 1 3.85 0.03 . 1 . . . . . . . . 5326 1 334 . 1 1 30 30 ILE HB H 1 2.07 0.03 . 1 . . . . . . . . 5326 1 335 . 1 1 30 30 ILE HG12 H 1 1.16 0.03 . 2 . . . . . . . . 5326 1 336 . 1 1 30 30 ILE HG13 H 1 1.94 0.03 . 2 . . . . . . . . 5326 1 337 . 1 1 30 30 ILE HG21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 338 . 1 1 30 30 ILE HG22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 339 . 1 1 30 30 ILE HG23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 340 . 1 1 30 30 ILE HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 341 . 1 1 30 30 ILE HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 342 . 1 1 30 30 ILE HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 343 . 1 1 30 30 ILE C C 13 178.5 0.3 . 1 . . . . . . . . 5326 1 344 . 1 1 30 30 ILE CA C 13 65.3 0.3 . 1 . . . . . . . . 5326 1 345 . 1 1 30 30 ILE CB C 13 37.9 0.3 . 1 . . . . . . . . 5326 1 346 . 1 1 30 30 ILE CG1 C 13 29.2 0.3 . 2 . . . . . . . . 5326 1 347 . 1 1 30 30 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1 348 . 1 1 30 30 ILE CD1 C 13 13.4 0.3 . 1 . . . . . . . . 5326 1 349 . 1 1 30 30 ILE N N 15 122.5 0.2 . 1 . . . . . . . . 5326 1 350 . 1 1 31 31 LEU H H 1 8.33 0.015 . 1 . . . . . . . . 5326 1 351 . 1 1 31 31 LEU HA H 1 4.04 0.03 . 1 . . . . . . . . 5326 1 352 . 1 1 31 31 LEU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 5326 1 353 . 1 1 31 31 LEU HB3 H 1 1.92 0.03 . 2 . . . . . . . . 5326 1 354 . 1 1 31 31 LEU HG H 1 1.85 0.03 . 1 . . . . . . . . 5326 1 355 . 1 1 31 31 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 356 . 1 1 31 31 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 357 . 1 1 31 31 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 358 . 1 1 31 31 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 359 . 1 1 31 31 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 360 . 1 1 31 31 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 361 . 1 1 31 31 LEU C C 13 179.4 0.3 . 1 . . . . . . . . 5326 1 362 . 1 1 31 31 LEU CA C 13 58.4 0.3 . 1 . . . . . . . . 5326 1 363 . 1 1 31 31 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 5326 1 364 . 1 1 31 31 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1 365 . 1 1 31 31 LEU CD1 C 13 24.4 0.3 . 1 . . . . . . . . 5326 1 366 . 1 1 31 31 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1 367 . 1 1 31 31 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1 368 . 1 1 32 32 GLY H H 1 8.94 0.015 . 1 . . . . . . . . 5326 1 369 . 1 1 32 32 GLY HA3 H 1 3.95 0.03 . 2 . . . . . . . . 5326 1 370 . 1 1 32 32 GLY C C 13 176.0 0.3 . 1 . . . . . . . . 5326 1 371 . 1 1 32 32 GLY CA C 13 47.7 0.3 . 1 . . . . . . . . 5326 1 372 . 1 1 32 32 GLY N N 15 106.4 0.2 . 1 . . . . . . . . 5326 1 373 . 1 1 33 33 GLY H H 1 8.34 0.015 . 1 . . . . . . . . 5326 1 374 . 1 1 33 33 GLY HA3 H 1 3.94 0.03 . 2 . . . . . . . . 5326 1 375 . 1 1 33 33 GLY C C 13 175.7 0.3 . 1 . . . . . . . . 5326 1 376 . 1 1 33 33 GLY CA C 13 47.8 0.3 . 1 . . . . . . . . 5326 1 377 . 1 1 33 33 GLY N N 15 108.6 0.2 . 1 . . . . . . . . 5326 1 378 . 1 1 34 34 LYS H H 1 8.27 0.015 . 1 . . . . . . . . 5326 1 379 . 1 1 34 34 LYS HA H 1 4.19 0.03 . 1 . . . . . . . . 5326 1 380 . 1 1 34 34 LYS HB2 H 1 1.91 0.03 . 2 . . . . . . . . 5326 1 381 . 1 1 34 34 LYS HB3 H 1 2.12 0.03 . 2 . . . . . . . . 5326 1 382 . 1 1 34 34 LYS HG2 H 1 1.63 0.03 . 2 . . . . . . . . 5326 1 383 . 1 1 34 34 LYS HD2 H 1 1.73 0.03 . 1 . . . . . . . . 5326 1 384 . 1 1 34 34 LYS HE2 H 1 2.91 0.03 . 1 . . . . . . . . 5326 1 385 . 1 1 34 34 LYS HE3 H 1 2.93 0.03 . 1 . . . . . . . . 5326 1 386 . 1 1 34 34 LYS C C 13 179.4 0.3 . 1 . . . . . . . . 5326 1 387 . 1 1 34 34 LYS CA C 13 58.5 0.3 . 1 . . . . . . . . 5326 1 388 . 1 1 34 34 LYS CB C 13 31.6 0.3 . 1 . . . . . . . . 5326 1 389 . 1 1 34 34 LYS CG C 13 24.9 0.3 . 1 . . . . . . . . 5326 1 390 . 1 1 34 34 LYS CD C 13 28.7 0.3 . 1 . . . . . . . . 5326 1 391 . 1 1 34 34 LYS CE C 13 42.1 0.3 . 1 . . . . . . . . 5326 1 392 . 1 1 34 34 LYS N N 15 120.9 0.2 . 1 . . . . . . . . 5326 1 393 . 1 1 35 35 PHE H H 1 8.42 0.015 . 1 . . . . . . . . 5326 1 394 . 1 1 35 35 PHE HA H 1 4.30 0.03 . 1 . . . . . . . . 5326 1 395 . 1 1 35 35 PHE HB2 H 1 3.39 0.03 . 2 . . . . . . . . 5326 1 396 . 1 1 35 35 PHE HB3 H 1 3.34 0.03 . 2 . . . . . . . . 5326 1 397 . 1 1 35 35 PHE HD1 H 1 7.27 0.03 . 1 . . . . . . . . 5326 1 398 . 1 1 35 35 PHE HD2 H 1 7.27 0.03 . 1 . . . . . . . . 5326 1 399 . 1 1 35 35 PHE HE1 H 1 7.28 0.03 . 1 . . . . . . . . 5326 1 400 . 1 1 35 35 PHE HE2 H 1 7.28 0.03 . 1 . . . . . . . . 5326 1 401 . 1 1 35 35 PHE HZ H 1 7.22 0.03 . 1 . . . . . . . . 5326 1 402 . 1 1 35 35 PHE C C 13 177.8 0.3 . 1 . . . . . . . . 5326 1 403 . 1 1 35 35 PHE CA C 13 61.5 0.3 . 1 . . . . . . . . 5326 1 404 . 1 1 35 35 PHE CB C 13 39.1 0.3 . 1 . . . . . . . . 5326 1 405 . 1 1 35 35 PHE CD1 C 13 131.9 0.3 . 1 . . . . . . . . 5326 1 406 . 1 1 35 35 PHE CD2 C 13 131.9 0.3 . 1 . . . . . . . . 5326 1 407 . 1 1 35 35 PHE CE1 C 13 130.7 0.3 . 1 . . . . . . . . 5326 1 408 . 1 1 35 35 PHE CE2 C 13 130.7 0.3 . 1 . . . . . . . . 5326 1 409 . 1 1 35 35 PHE CZ C 13 129.5 0.3 . 1 . . . . . . . . 5326 1 410 . 1 1 35 35 PHE N N 15 120.7 0.2 . 1 . . . . . . . . 5326 1 411 . 1 1 36 36 LEU H H 1 8.30 0.015 . 1 . . . . . . . . 5326 1 412 . 1 1 36 36 LEU HA H 1 4.00 0.03 . 1 . . . . . . . . 5326 1 413 . 1 1 36 36 LEU HB2 H 1 1.67 0.03 . 2 . . . . . . . . 5326 1 414 . 1 1 36 36 LEU HB3 H 1 1.98 0.03 . 2 . . . . . . . . 5326 1 415 . 1 1 36 36 LEU HG H 1 1.96 0.03 . 1 . . . . . . . . 5326 1 416 . 1 1 36 36 LEU HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 417 . 1 1 36 36 LEU HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 418 . 1 1 36 36 LEU HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 419 . 1 1 36 36 LEU HD21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 420 . 1 1 36 36 LEU HD22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 421 . 1 1 36 36 LEU HD23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 422 . 1 1 36 36 LEU C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1 423 . 1 1 36 36 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 5326 1 424 . 1 1 36 36 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 5326 1 425 . 1 1 36 36 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1 426 . 1 1 36 36 LEU CD1 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1 427 . 1 1 36 36 LEU CD2 C 13 23.4 0.3 . 1 . . . . . . . . 5326 1 428 . 1 1 36 36 LEU N N 15 119.6 0.2 . 1 . . . . . . . . 5326 1 429 . 1 1 37 37 GLU H H 1 8.26 0.015 . 1 . . . . . . . . 5326 1 430 . 1 1 37 37 GLU HA H 1 3.95 0.03 . 1 . . . . . . . . 5326 1 431 . 1 1 37 37 GLU HB2 H 1 2.17 0.03 . 2 . . . . . . . . 5326 1 432 . 1 1 37 37 GLU HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5326 1 433 . 1 1 37 37 GLU HG2 H 1 2.33 0.03 . 2 . . . . . . . . 5326 1 434 . 1 1 37 37 GLU HG3 H 1 2.57 0.03 . 2 . . . . . . . . 5326 1 435 . 1 1 37 37 GLU C C 13 178.5 0.3 . 1 . . . . . . . . 5326 1 436 . 1 1 37 37 GLU CA C 13 59.2 0.3 . 1 . . . . . . . . 5326 1 437 . 1 1 37 37 GLU CB C 13 29.2 0.3 . 1 . . . . . . . . 5326 1 438 . 1 1 37 37 GLU CG C 13 34.9 0.3 . 1 . . . . . . . . 5326 1 439 . 1 1 37 37 GLU N N 15 117.8 0.2 . 1 . . . . . . . . 5326 1 440 . 1 1 38 38 GLY H H 1 8.06 0.015 . 1 . . . . . . . . 5326 1 441 . 1 1 38 38 GLY HA3 H 1 3.80 0.03 . 1 . . . . . . . . 5326 1 442 . 1 1 38 38 GLY HA2 H 1 3.80 0.03 . 1 . . . . . . . . 5326 1 443 . 1 1 38 38 GLY C C 13 175.7 0.3 . 1 . . . . . . . . 5326 1 444 . 1 1 38 38 GLY CA C 13 47.1 0.3 . 1 . . . . . . . . 5326 1 445 . 1 1 38 38 GLY N N 15 105.0 0.2 . 1 . . . . . . . . 5326 1 446 . 1 1 39 39 ALA H H 1 8.16 0.015 . 1 . . . . . . . . 5326 1 447 . 1 1 39 39 ALA HA H 1 4.06 0.03 . 1 . . . . . . . . 5326 1 448 . 1 1 39 39 ALA HB1 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 449 . 1 1 39 39 ALA HB2 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 450 . 1 1 39 39 ALA HB3 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 451 . 1 1 39 39 ALA C C 13 178.6 0.3 . 1 . . . . . . . . 5326 1 452 . 1 1 39 39 ALA CA C 13 54.6 0.3 . 1 . . . . . . . . 5326 1 453 . 1 1 39 39 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 5326 1 454 . 1 1 39 39 ALA N N 15 123.8 0.2 . 1 . . . . . . . . 5326 1 455 . 1 1 40 40 ALA H H 1 7.91 0.015 . 1 . . . . . . . . 5326 1 456 . 1 1 40 40 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . 5326 1 457 . 1 1 40 40 ALA HB1 H 1 1.5 0.03 . 1 . . . . . . . . 5326 1 458 . 1 1 40 40 ALA HB2 H 1 1.5 0.03 . 1 . . . . . . . . 5326 1 459 . 1 1 40 40 ALA HB3 H 1 1.5 0.03 . 1 . . . . . . . . 5326 1 460 . 1 1 40 40 ALA C C 13 177.8 0.3 . 1 . . . . . . . . 5326 1 461 . 1 1 40 40 ALA CA C 13 53.8 0.3 . 1 . . . . . . . . 5326 1 462 . 1 1 40 40 ALA CB C 13 18.9 0.3 . 1 . . . . . . . . 5326 1 463 . 1 1 40 40 ALA N N 15 117.5 0.2 . 1 . . . . . . . . 5326 1 464 . 1 1 41 41 ARG H H 1 7.50 0.015 . 1 . . . . . . . . 5326 1 465 . 1 1 41 41 ARG HA H 1 4.33 0.03 . 1 . . . . . . . . 5326 1 466 . 1 1 41 41 ARG HB2 H 1 1.87 0.03 . 2 . . . . . . . . 5326 1 467 . 1 1 41 41 ARG HB3 H 1 2.04 0.03 . 2 . . . . . . . . 5326 1 468 . 1 1 41 41 ARG HG2 H 1 1.71 0.03 . 2 . . . . . . . . 5326 1 469 . 1 1 41 41 ARG HG3 H 1 1.84 0.03 . 2 . . . . . . . . 5326 1 470 . 1 1 41 41 ARG HD2 H 1 3.21 0.03 . 2 . . . . . . . . 5326 1 471 . 1 1 41 41 ARG C C 13 176.0 0.3 . 1 . . . . . . . . 5326 1 472 . 1 1 41 41 ARG CA C 13 56.2 0.3 . 1 . . . . . . . . 5326 1 473 . 1 1 41 41 ARG CB C 13 30.9 0.3 . 1 . . . . . . . . 5326 1 474 . 1 1 41 41 ARG CG C 13 27.7 0.3 . 1 . . . . . . . . 5326 1 475 . 1 1 41 41 ARG CD C 13 43.7 0.3 . 1 . . . . . . . . 5326 1 476 . 1 1 41 41 ARG NE N 15 84.2 0.2 . 1 . . . . . . . . 5326 1 477 . 1 1 41 41 ARG HE H 1 7.56 0.03 . 1 . . . . . . . . 5326 1 478 . 1 1 41 41 ARG N N 15 114.0 0.2 . 1 . . . . . . . . 5326 1 479 . 1 1 42 42 GLN H H 1 7.72 0.015 . 1 . . . . . . . . 5326 1 480 . 1 1 42 42 GLN HA H 1 4.60 0.03 . 1 . . . . . . . . 5326 1 481 . 1 1 42 42 GLN HB2 H 1 2.07 0.03 . 2 . . . . . . . . 5326 1 482 . 1 1 42 42 GLN HB3 H 1 2.23 0.03 . 2 . . . . . . . . 5326 1 483 . 1 1 42 42 GLN C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1 484 . 1 1 42 42 GLN HG2 H 1 2.43 0.03 . 2 . . . . . . . . 5326 1 485 . 1 1 42 42 GLN HE21 H 1 6.53 0.03 . 1 . . . . . . . . 5326 1 486 . 1 1 42 42 GLN HE22 H 1 7.60 0.03 . 1 . . . . . . . . 5326 1 487 . 1 1 42 42 GLN NE2 N 15 109.2 0.2 . 1 . . . . . . . . 5326 1 488 . 1 1 42 42 GLN CA C 13 54.9 0.3 . 1 . . . . . . . . 5326 1 489 . 1 1 42 42 GLN CB C 13 29.2 0.3 . 1 . . . . . . . . 5326 1 490 . 1 1 42 42 GLN CG C 13 34.0 0.3 . 1 . . . . . . . . 5326 1 491 . 1 1 42 42 GLN N N 15 118.6 0.2 . 1 . . . . . . . . 5326 1 492 . 1 1 43 43 PRO HA H 1 4.42 0.03 . 1 . . . . . . . . 5326 1 493 . 1 1 43 43 PRO HB2 H 1 1.97 0.03 . 2 . . . . . . . . 5326 1 494 . 1 1 43 43 PRO HB3 H 1 2.32 0.03 . 2 . . . . . . . . 5326 1 495 . 1 1 43 43 PRO HG2 H 1 2.04 0.03 . 2 . . . . . . . . 5326 1 496 . 1 1 43 43 PRO HD2 H 1 3.73 0.03 . 1 . . . . . . . . 5326 1 497 . 1 1 43 43 PRO HD3 H 1 3.75 0.03 . 1 . . . . . . . . 5326 1 498 . 1 1 43 43 PRO C C 13 176.9 0.3 . 1 . . . . . . . . 5326 1 499 . 1 1 43 43 PRO CA C 13 64.7 0.3 . 1 . . . . . . . . 5326 1 500 . 1 1 43 43 PRO CB C 13 31.9 0.3 . 1 . . . . . . . . 5326 1 501 . 1 1 43 43 PRO CG C 13 27.8 0.3 . 1 . . . . . . . . 5326 1 502 . 1 1 43 43 PRO CD C 13 50.5 0.3 . 1 . . . . . . . . 5326 1 503 . 1 1 44 44 ASP H H 1 8.39 0.015 . 1 . . . . . . . . 5326 1 504 . 1 1 44 44 ASP HA H 1 4.56 0.03 . 1 . . . . . . . . 5326 1 505 . 1 1 44 44 ASP HB2 H 1 2.85 0.03 . 1 . . . . . . . . 5326 1 506 . 1 1 44 44 ASP HB3 H 1 2.85 0.03 . 1 . . . . . . . . 5326 1 507 . 1 1 44 44 ASP C C 13 175.7 0.3 . 1 . . . . . . . . 5326 1 508 . 1 1 44 44 ASP CA C 13 54.4 0.3 . 1 . . . . . . . . 5326 1 509 . 1 1 44 44 ASP CB C 13 38.8 0.3 . 1 . . . . . . . . 5326 1 510 . 1 1 44 44 ASP N N 15 115.6 0.2 . 1 . . . . . . . . 5326 1 511 . 1 1 45 45 LEU H H 1 8.04 0.015 . 1 . . . . . . . . 5326 1 512 . 1 1 45 45 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 5326 1 513 . 1 1 45 45 LEU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 5326 1 514 . 1 1 45 45 LEU HB3 H 1 1.81 0.03 . 2 . . . . . . . . 5326 1 515 . 1 1 45 45 LEU HG H 1 1.75 0.03 . 1 . . . . . . . . 5326 1 516 . 1 1 45 45 LEU HD11 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 517 . 1 1 45 45 LEU HD12 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 518 . 1 1 45 45 LEU HD13 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 519 . 1 1 45 45 LEU HD21 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 520 . 1 1 45 45 LEU HD22 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 521 . 1 1 45 45 LEU HD23 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 522 . 1 1 45 45 LEU C C 13 178.0 0.3 . 1 . . . . . . . . 5326 1 523 . 1 1 45 45 LEU CA C 13 56.7 0.3 . 1 . . . . . . . . 5326 1 524 . 1 1 45 45 LEU CB C 13 42.9 0.3 . 1 . . . . . . . . 5326 1 525 . 1 1 45 45 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1 526 . 1 1 45 45 LEU CD1 C 13 24.3 0.3 . 1 . . . . . . . . 5326 1 527 . 1 1 45 45 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1 528 . 1 1 45 45 LEU N N 15 119.0 0.2 . 1 . . . . . . . . 5326 1 529 . 1 1 46 46 ILE H H 1 8.08 0.015 . 1 . . . . . . . . 5326 1 530 . 1 1 46 46 ILE HA H 1 3.90 0.03 . 1 . . . . . . . . 5326 1 531 . 1 1 46 46 ILE HB H 1 2.27 0.03 . 1 . . . . . . . . 5326 1 532 . 1 1 46 46 ILE C C 13 175.2 0.3 . 1 . . . . . . . . 5326 1 533 . 1 1 46 46 ILE HG12 H 1 1.28 0.03 . 2 . . . . . . . . 5326 1 534 . 1 1 46 46 ILE HG13 H 1 1.77 0.03 . 2 . . . . . . . . 5326 1 535 . 1 1 46 46 ILE HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 536 . 1 1 46 46 ILE HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 537 . 1 1 46 46 ILE HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 538 . 1 1 46 46 ILE HG21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 539 . 1 1 46 46 ILE HG22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 540 . 1 1 46 46 ILE HG23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 541 . 1 1 46 46 ILE CA C 13 66.7 0.3 . 1 . . . . . . . . 5326 1 542 . 1 1 46 46 ILE CB C 13 35.2 0.3 . 1 . . . . . . . . 5326 1 543 . 1 1 46 46 ILE CG1 C 13 30.1 0.3 . 2 . . . . . . . . 5326 1 544 . 1 1 46 46 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1 545 . 1 1 46 46 ILE N N 15 118.1 0.2 . 1 . . . . . . . . 5326 1 546 . 1 1 47 47 PRO HA H 1 4.27 0.03 . 1 . . . . . . . . 5326 1 547 . 1 1 47 47 PRO HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5326 1 548 . 1 1 47 47 PRO HB3 H 1 2.37 0.03 . 2 . . . . . . . . 5326 1 549 . 1 1 47 47 PRO HG2 H 1 2.00 0.03 . 2 . . . . . . . . 5326 1 550 . 1 1 47 47 PRO HG3 H 1 2.21 0.03 . 2 . . . . . . . . 5326 1 551 . 1 1 47 47 PRO HD2 H 1 3.65 0.03 . 2 . . . . . . . . 5326 1 552 . 1 1 47 47 PRO HD3 H 1 3.77 0.03 . 2 . . . . . . . . 5326 1 553 . 1 1 47 47 PRO C C 13 179.0 0.3 . 1 . . . . . . . . 5326 1 554 . 1 1 47 47 PRO CA C 13 66.3 0.3 . 1 . . . . . . . . 5326 1 555 . 1 1 47 47 PRO CB C 13 31.4 0.3 . 1 . . . . . . . . 5326 1 556 . 1 1 47 47 PRO CG C 13 28.7 0.3 . 1 . . . . . . . . 5326 1 557 . 1 1 47 47 PRO CD C 13 49.9 0.3 . 1 . . . . . . . . 5326 1 558 . 1 1 48 48 LEU H H 1 7.42 0.015 . 1 . . . . . . . . 5326 1 559 . 1 1 48 48 LEU HA H 1 4.15 0.03 . 1 . . . . . . . . 5326 1 560 . 1 1 48 48 LEU HB2 H 1 1.77 0.03 . 2 . . . . . . . . 5326 1 561 . 1 1 48 48 LEU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5326 1 562 . 1 1 48 48 LEU HG H 1 1.76 0.03 . 1 . . . . . . . . 5326 1 563 . 1 1 48 48 LEU HD11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 564 . 1 1 48 48 LEU HD12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 565 . 1 1 48 48 LEU HD13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 566 . 1 1 48 48 LEU C C 13 178.5 0.3 . 1 . . . . . . . . 5326 1 567 . 1 1 48 48 LEU CA C 13 58.5 0.3 . 1 . . . . . . . . 5326 1 568 . 1 1 48 48 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 5326 1 569 . 1 1 48 48 LEU CG C 13 27.7 0.3 . 1 . . . . . . . . 5326 1 570 . 1 1 48 48 LEU CD1 C 13 24.9 0.3 . 1 . . . . . . . . 5326 1 571 . 1 1 48 48 LEU N N 15 118.5 0.2 . 1 . . . . . . . . 5326 1 572 . 1 1 49 49 LEU H H 1 8.31 0.015 . 1 . . . . . . . . 5326 1 573 . 1 1 49 49 LEU HA H 1 4.13 0.03 . 1 . . . . . . . . 5326 1 574 . 1 1 49 49 LEU HB2 H 1 1.62 0.03 . 2 . . . . . . . . 5326 1 575 . 1 1 49 49 LEU HB3 H 1 1.92 0.03 . 2 . . . . . . . . 5326 1 576 . 1 1 49 49 LEU HG H 1 1.82 0.03 . 1 . . . . . . . . 5326 1 577 . 1 1 49 49 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 578 . 1 1 49 49 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 579 . 1 1 49 49 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 580 . 1 1 49 49 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 581 . 1 1 49 49 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 582 . 1 1 49 49 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 583 . 1 1 49 49 LEU C C 13 179.2 0.3 . 1 . . . . . . . . 5326 1 584 . 1 1 49 49 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 5326 1 585 . 1 1 49 49 LEU CB C 13 42.1 0.3 . 1 . . . . . . . . 5326 1 586 . 1 1 49 49 LEU CG C 13 27.1 0.3 . 1 . . . . . . . . 5326 1 587 . 1 1 49 49 LEU CD1 C 13 25.5 0.3 . 1 . . . . . . . . 5326 1 588 . 1 1 49 49 LEU CD2 C 13 23.7 0.3 . 1 . . . . . . . . 5326 1 589 . 1 1 49 49 LEU N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1 590 . 1 1 50 50 ARG H H 1 8.58 0.015 . 1 . . . . . . . . 5326 1 591 . 1 1 50 50 ARG HA H 1 3.98 0.03 . 1 . . . . . . . . 5326 1 592 . 1 1 50 50 ARG HB2 H 1 1.93 0.03 . 1 . . . . . . . . 5326 1 593 . 1 1 50 50 ARG HB3 H 1 1.93 0.03 . 1 . . . . . . . . 5326 1 594 . 1 1 50 50 ARG HG2 H 1 1.65 0.03 . 2 . . . . . . . . 5326 1 595 . 1 1 50 50 ARG HG3 H 1 1.85 0.03 . 2 . . . . . . . . 5326 1 596 . 1 1 50 50 ARG HD2 H 1 3.18 0.03 . 1 . . . . . . . . 5326 1 597 . 1 1 50 50 ARG C C 13 178.0 0.3 . 1 . . . . . . . . 5326 1 598 . 1 1 50 50 ARG CA C 13 60.0 0.3 . 1 . . . . . . . . 5326 1 599 . 1 1 50 50 ARG CB C 13 30.6 0.3 . 1 . . . . . . . . 5326 1 600 . 1 1 50 50 ARG CG C 13 28.2 0.3 . 1 . . . . . . . . 5326 1 601 . 1 1 50 50 ARG CD C 13 44.0 0.3 . 1 . . . . . . . . 5326 1 602 . 1 1 50 50 ARG HE H 1 7.46 0.03 . 1 . . . . . . . . 5326 1 603 . 1 1 50 50 ARG NE N 15 83.6 0.2 . 1 . . . . . . . . 5326 1 604 . 1 1 50 50 ARG N N 15 117.6 0.2 . 1 . . . . . . . . 5326 1 605 . 1 1 51 51 THR H H 1 7.87 0.015 . 1 . . . . . . . . 5326 1 606 . 1 1 51 51 THR HA H 1 4.01 0.03 . 1 . . . . . . . . 5326 1 607 . 1 1 51 51 THR HB H 1 4.42 0.03 . 1 . . . . . . . . 5326 1 608 . 1 1 51 51 THR HG21 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 609 . 1 1 51 51 THR HG22 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 610 . 1 1 51 51 THR HG23 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 611 . 1 1 51 51 THR C C 13 175.8 0.3 . 1 . . . . . . . . 5326 1 612 . 1 1 51 51 THR CA C 13 67.7 0.3 . 1 . . . . . . . . 5326 1 613 . 1 1 51 51 THR CB C 13 68.8 0.3 . 1 . . . . . . . . 5326 1 614 . 1 1 51 51 THR CG2 C 13 21.9 0.3 . 1 . . . . . . . . 5326 1 615 . 1 1 51 51 THR N N 15 114.8 0.2 . 1 . . . . . . . . 5326 1 616 . 1 1 52 52 GLN H H 1 8.24 0.015 . 1 . . . . . . . . 5326 1 617 . 1 1 52 52 GLN HA H 1 4.02 0.03 . 1 . . . . . . . . 5326 1 618 . 1 1 52 52 GLN HB2 H 1 2.26 0.03 . 2 . . . . . . . . 5326 1 619 . 1 1 52 52 GLN HB3 H 1 2.36 0.03 . 2 . . . . . . . . 5326 1 620 . 1 1 52 52 GLN HG2 H 1 2.38 0.03 . 2 . . . . . . . . 5326 1 621 . 1 1 52 52 GLN HG3 H 1 2.53 0.03 . 2 . . . . . . . . 5326 1 622 . 1 1 52 52 GLN HE21 H 1 6.31 0.03 . 2 . . . . . . . . 5326 1 623 . 1 1 52 52 GLN HE22 H 1 6.84 0.03 . 2 . . . . . . . . 5326 1 624 . 1 1 52 52 GLN NE2 N 15 105.4 0.2 . 1 . . . . . . . . 5326 1 625 . 1 1 52 52 GLN C C 13 177.4 0.3 . 1 . . . . . . . . 5326 1 626 . 1 1 52 52 GLN CA C 13 59.9 0.3 . 1 . . . . . . . . 5326 1 627 . 1 1 52 52 GLN CB C 13 28.9 0.3 . 1 . . . . . . . . 5326 1 628 . 1 1 52 52 GLN CG C 13 34.8 0.3 . 1 . . . . . . . . 5326 1 629 . 1 1 52 52 GLN N N 15 119.9 0.2 . 1 . . . . . . . . 5326 1 630 . 1 1 53 53 PHE H H 1 8.35 0.015 . 1 . . . . . . . . 5326 1 631 . 1 1 53 53 PHE HA H 1 4.16 0.03 . 1 . . . . . . . . 5326 1 632 . 1 1 53 53 PHE HB2 H 1 3.23 0.03 . 2 . . . . . . . . 5326 1 633 . 1 1 53 53 PHE HB3 H 1 3.38 0.03 . 2 . . . . . . . . 5326 1 634 . 1 1 53 53 PHE HD1 H 1 7.04 0.03 . 1 . . . . . . . . 5326 1 635 . 1 1 53 53 PHE HD2 H 1 7.04 0.03 . 1 . . . . . . . . 5326 1 636 . 1 1 53 53 PHE HE1 H 1 7.24 0.03 . 1 . . . . . . . . 5326 1 637 . 1 1 53 53 PHE HE2 H 1 7.24 0.03 . 1 . . . . . . . . 5326 1 638 . 1 1 53 53 PHE HZ H 1 7.22 0.03 . 1 . . . . . . . . 5326 1 639 . 1 1 53 53 PHE C C 13 176.7 0.3 . 1 . . . . . . . . 5326 1 640 . 1 1 53 53 PHE CA C 13 61.8 0.3 . 1 . . . . . . . . 5326 1 641 . 1 1 53 53 PHE CB C 13 39.2 0.3 . 1 . . . . . . . . 5326 1 642 . 1 1 53 53 PHE CD1 C 13 131.7 0.3 . 1 . . . . . . . . 5326 1 643 . 1 1 53 53 PHE CD2 C 13 131.7 0.3 . 1 . . . . . . . . 5326 1 644 . 1 1 53 53 PHE CE1 C 13 131.0 0.3 . 1 . . . . . . . . 5326 1 645 . 1 1 53 53 PHE CE2 C 13 131.0 0.3 . 1 . . . . . . . . 5326 1 646 . 1 1 53 53 PHE CZ C 13 129.3 0.3 . 1 . . . . . . . . 5326 1 647 . 1 1 53 53 PHE N N 15 118.5 0.2 . 1 . . . . . . . . 5326 1 648 . 1 1 54 54 PHE H H 1 8.13 0.015 . 1 . . . . . . . . 5326 1 649 . 1 1 54 54 PHE HA H 1 4.19 0.03 . 1 . . . . . . . . 5326 1 650 . 1 1 54 54 PHE HB2 H 1 3.36 0.03 . 2 . . . . . . . . 5326 1 651 . 1 1 54 54 PHE HB3 H 1 3.34 0.03 . 2 . . . . . . . . 5326 1 652 . 1 1 54 54 PHE HD1 H 1 7.37 0.03 . 1 . . . . . . . . 5326 1 653 . 1 1 54 54 PHE HD2 H 1 7.37 0.03 . 1 . . . . . . . . 5326 1 654 . 1 1 54 54 PHE HE1 H 1 7.34 0.03 . 1 . . . . . . . . 5326 1 655 . 1 1 54 54 PHE HE2 H 1 7.34 0.03 . 1 . . . . . . . . 5326 1 656 . 1 1 54 54 PHE HZ H 1 7.28 0.03 . 1 . . . . . . . . 5326 1 657 . 1 1 54 54 PHE C C 13 178.1 0.3 . 1 . . . . . . . . 5326 1 658 . 1 1 54 54 PHE CA C 13 61.8 0.3 . 1 . . . . . . . . 5326 1 659 . 1 1 54 54 PHE CB C 13 39.3 0.3 . 1 . . . . . . . . 5326 1 660 . 1 1 54 54 PHE CD1 C 13 131.8 0.3 . 1 . . . . . . . . 5326 1 661 . 1 1 54 54 PHE CD2 C 13 131.8 0.3 . 1 . . . . . . . . 5326 1 662 . 1 1 54 54 PHE CE1 C 13 131.2 0.3 . 1 . . . . . . . . 5326 1 663 . 1 1 54 54 PHE CE2 C 13 131.2 0.3 . 1 . . . . . . . . 5326 1 664 . 1 1 54 54 PHE CZ C 13 129.5 0.3 . 1 . . . . . . . . 5326 1 665 . 1 1 54 54 PHE N N 15 117.7 0.2 . 1 . . . . . . . . 5326 1 666 . 1 1 55 55 ILE H H 1 8.20 0.015 . 1 . . . . . . . . 5326 1 667 . 1 1 55 55 ILE HA H 1 3.76 0.03 . 1 . . . . . . . . 5326 1 668 . 1 1 55 55 ILE HB H 1 2.08 0.03 . 1 . . . . . . . . 5326 1 669 . 1 1 55 55 ILE HG12 H 1 1.24 0.03 . 2 . . . . . . . . 5326 1 670 . 1 1 55 55 ILE HG13 H 1 1.99 0.03 . 2 . . . . . . . . 5326 1 671 . 1 1 55 55 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 672 . 1 1 55 55 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 673 . 1 1 55 55 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 674 . 1 1 55 55 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 675 . 1 1 55 55 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 676 . 1 1 55 55 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 677 . 1 1 55 55 ILE C C 13 178.0 0.3 . 1 . . . . . . . . 5326 1 678 . 1 1 55 55 ILE CA C 13 65.5 0.3 . 1 . . . . . . . . 5326 1 679 . 1 1 55 55 ILE CB C 13 38.0 0.3 . 1 . . . . . . . . 5326 1 680 . 1 1 55 55 ILE CG1 C 13 29.6 0.3 . 2 . . . . . . . . 5326 1 681 . 1 1 55 55 ILE CG2 C 13 17.8 0.3 . 2 . . . . . . . . 5326 1 682 . 1 1 55 55 ILE CD1 C 13 13.9 0.3 . 1 . . . . . . . . 5326 1 683 . 1 1 55 55 ILE N N 15 119.7 0.2 . 1 . . . . . . . . 5326 1 684 . 1 1 56 56 VAL H H 1 8.25 0.015 . 1 . . . . . . . . 5326 1 685 . 1 1 56 56 VAL HA H 1 3.56 0.03 . 1 . . . . . . . . 5326 1 686 . 1 1 56 56 VAL HB H 1 2.12 0.03 . 1 . . . . . . . . 5326 1 687 . 1 1 56 56 VAL HG11 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 688 . 1 1 56 56 VAL HG12 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 689 . 1 1 56 56 VAL HG13 H 1 0.9 0.03 . 2 . . . . . . . . 5326 1 690 . 1 1 56 56 VAL HG21 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1 691 . 1 1 56 56 VAL HG22 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1 692 . 1 1 56 56 VAL HG23 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1 693 . 1 1 56 56 VAL C C 13 177.6 0.3 . 1 . . . . . . . . 5326 1 694 . 1 1 56 56 VAL CA C 13 67.6 0.3 . 1 . . . . . . . . 5326 1 695 . 1 1 56 56 VAL CB C 13 31.7 0.3 . 1 . . . . . . . . 5326 1 696 . 1 1 56 56 VAL CG1 C 13 21.9 0.3 . 2 . . . . . . . . 5326 1 697 . 1 1 56 56 VAL CG2 C 13 23.7 0.3 . 2 . . . . . . . . 5326 1 698 . 1 1 56 56 VAL N N 15 119.1 0.2 . 1 . . . . . . . . 5326 1 699 . 1 1 57 57 MET H H 1 8.29 0.015 . 1 . . . . . . . . 5326 1 700 . 1 1 57 57 MET HA H 1 4.13 0.03 . 1 . . . . . . . . 5326 1 701 . 1 1 57 57 MET HB2 H 1 1.95 0.03 . 2 . . . . . . . . 5326 1 702 . 1 1 57 57 MET HB3 H 1 1.85 0.03 . 2 . . . . . . . . 5326 1 703 . 1 1 57 57 MET HG2 H 1 2.15 0.03 . 2 . . . . . . . . 5326 1 704 . 1 1 57 57 MET HG3 H 1 2.24 0.03 . 2 . . . . . . . . 5326 1 705 . 1 1 57 57 MET C C 13 179.1 0.3 . 1 . . . . . . . . 5326 1 706 . 1 1 57 57 MET CA C 13 58.0 0.3 . 1 . . . . . . . . 5326 1 707 . 1 1 57 57 MET CB C 13 32.2 0.3 . 1 . . . . . . . . 5326 1 708 . 1 1 57 57 MET CG C 13 32.4 0.3 . 1 . . . . . . . . 5326 1 709 . 1 1 57 57 MET N N 15 116.8 0.2 . 1 . . . . . . . . 5326 1 710 . 1 1 58 58 GLY H H 1 8.19 0.015 . 1 . . . . . . . . 5326 1 711 . 1 1 58 58 GLY HA3 H 1 3.82 0.03 . 2 . . . . . . . . 5326 1 712 . 1 1 58 58 GLY HA2 H 1 3.88 0.03 . 2 . . . . . . . . 5326 1 713 . 1 1 58 58 GLY C C 13 175.5 0.3 . 1 . . . . . . . . 5326 1 714 . 1 1 58 58 GLY CA C 13 47.6 0.3 . 1 . . . . . . . . 5326 1 715 . 1 1 58 58 GLY N N 15 107.4 0.2 . 1 . . . . . . . . 5326 1 716 . 1 1 59 59 LEU H H 1 8.15 0.015 . 1 . . . . . . . . 5326 1 717 . 1 1 59 59 LEU HA H 1 4.15 0.03 . 1 . . . . . . . . 5326 1 718 . 1 1 59 59 LEU HB2 H 1 1.62 0.03 . 2 . . . . . . . . 5326 1 719 . 1 1 59 59 LEU HB3 H 1 2.02 0.03 . 2 . . . . . . . . 5326 1 720 . 1 1 59 59 LEU HG H 1 1.92 0.03 . 1 . . . . . . . . 5326 1 721 . 1 1 59 59 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 722 . 1 1 59 59 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 723 . 1 1 59 59 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 724 . 1 1 59 59 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 725 . 1 1 59 59 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 726 . 1 1 59 59 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 727 . 1 1 59 59 LEU C C 13 179.1 0.3 . 1 . . . . . . . . 5326 1 728 . 1 1 59 59 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 5326 1 729 . 1 1 59 59 LEU CB C 13 42.4 0.3 . 1 . . . . . . . . 5326 1 730 . 1 1 59 59 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1 731 . 1 1 59 59 LEU CD1 C 13 23.9 0.3 . 1 . . . . . . . . 5326 1 732 . 1 1 59 59 LEU CD2 C 13 25.8 0.3 . 1 . . . . . . . . 5326 1 733 . 1 1 59 59 LEU N N 15 122.2 0.2 . 1 . . . . . . . . 5326 1 734 . 1 1 60 60 VAL H H 1 8.35 0.015 . 1 . . . . . . . . 5326 1 735 . 1 1 60 60 VAL HA H 1 3.75 0.03 . 1 . . . . . . . . 5326 1 736 . 1 1 60 60 VAL HB H 1 2.22 0.03 . 1 . . . . . . . . 5326 1 737 . 1 1 60 60 VAL HG11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 738 . 1 1 60 60 VAL HG12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 739 . 1 1 60 60 VAL HG13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 740 . 1 1 60 60 VAL HG21 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1 741 . 1 1 60 60 VAL HG22 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1 742 . 1 1 60 60 VAL HG23 H 1 1.1 0.03 . 2 . . . . . . . . 5326 1 743 . 1 1 60 60 VAL C C 13 177.5 0.3 . 1 . . . . . . . . 5326 1 744 . 1 1 60 60 VAL CA C 13 66.1 0.3 . 1 . . . . . . . . 5326 1 745 . 1 1 60 60 VAL CB C 13 31.9 0.3 . 1 . . . . . . . . 5326 1 746 . 1 1 60 60 VAL CG1 C 13 21.6 0.3 . 2 . . . . . . . . 5326 1 747 . 1 1 60 60 VAL CG2 C 13 23.0 0.3 . 2 . . . . . . . . 5326 1 748 . 1 1 60 60 VAL N N 15 116.3 0.2 . 1 . . . . . . . . 5326 1 749 . 1 1 61 61 ASN H H 1 7.69 0.015 . 1 . . . . . . . . 5326 1 750 . 1 1 61 61 ASN HA H 1 4.62 0.03 . 1 . . . . . . . . 5326 1 751 . 1 1 61 61 ASN HB2 H 1 2.83 0.03 . 2 . . . . . . . . 5326 1 752 . 1 1 61 61 ASN HB3 H 1 2.74 0.03 . 2 . . . . . . . . 5326 1 753 . 1 1 61 61 ASN HD21 H 1 7.63 0.03 . 2 . . . . . . . . 5326 1 754 . 1 1 61 61 ASN HD22 H 1 6.37 0.03 . 2 . . . . . . . . 5326 1 755 . 1 1 61 61 ASN ND2 N 15 109.4 0.2 . 1 . . . . . . . . 5326 1 756 . 1 1 61 61 ASN C C 13 175.5 0.3 . 1 . . . . . . . . 5326 1 757 . 1 1 61 61 ASN CA C 13 55.5 0.3 . 1 . . . . . . . . 5326 1 758 . 1 1 61 61 ASN CB C 13 40.1 0.3 . 1 . . . . . . . . 5326 1 759 . 1 1 61 61 ASN N N 15 114.8 0.2 . 1 . . . . . . . . 5326 1 760 . 1 1 62 62 ALA H H 1 7.87 0.015 . 1 . . . . . . . . 5326 1 761 . 1 1 62 62 ALA HA H 1 4.30 0.03 . 1 . . . . . . . . 5326 1 762 . 1 1 62 62 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 763 . 1 1 62 62 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 764 . 1 1 62 62 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 765 . 1 1 62 62 ALA C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1 766 . 1 1 62 62 ALA CA C 13 54.4 0.3 . 1 . . . . . . . . 5326 1 767 . 1 1 62 62 ALA CB C 13 19.5 0.3 . 1 . . . . . . . . 5326 1 768 . 1 1 62 62 ALA N N 15 119.9 0.2 . 1 . . . . . . . . 5326 1 769 . 1 1 63 63 ILE H H 1 7.88 0.015 . 1 . . . . . . . . 5326 1 770 . 1 1 63 63 ILE HA H 1 3.86 0.03 . 1 . . . . . . . . 5326 1 771 . 1 1 63 63 ILE HB H 1 2.22 0.03 . 1 . . . . . . . . 5326 1 772 . 1 1 63 63 ILE C C 13 175.0 0.3 . 1 . . . . . . . . 5326 1 773 . 1 1 63 63 ILE HG12 H 1 1.28 0.03 . 2 . . . . . . . . 5326 1 774 . 1 1 63 63 ILE HG13 H 1 1.96 0.03 . 2 . . . . . . . . 5326 1 775 . 1 1 63 63 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 776 . 1 1 63 63 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 777 . 1 1 63 63 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 778 . 1 1 63 63 ILE CA C 13 67.2 0.3 . 1 . . . . . . . . 5326 1 779 . 1 1 63 63 ILE CB C 13 35.8 0.3 . 1 . . . . . . . . 5326 1 780 . 1 1 63 63 ILE CG1 C 13 30.1 0.3 . 2 . . . . . . . . 5326 1 781 . 1 1 63 63 ILE CG2 C 13 17.7 0.3 . 2 . . . . . . . . 5326 1 782 . 1 1 63 63 ILE CD1 C 13 13.3 0.3 . 1 . . . . . . . . 5326 1 783 . 1 1 63 63 ILE HD11 H 1 1.0 0.3 . 1 . . . . . . . . 5326 1 784 . 1 1 63 63 ILE HD12 H 1 1.0 0.3 . 1 . . . . . . . . 5326 1 785 . 1 1 63 63 ILE HD13 H 1 1.0 0.3 . 1 . . . . . . . . 5326 1 786 . 1 1 63 63 ILE N N 15 116.7 0.2 . 1 . . . . . . . . 5326 1 787 . 1 1 64 64 PRO HA H 1 4.29 0.03 . 1 . . . . . . . . 5326 1 788 . 1 1 64 64 PRO HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5326 1 789 . 1 1 64 64 PRO HB3 H 1 2.33 0.03 . 2 . . . . . . . . 5326 1 790 . 1 1 64 64 PRO HG2 H 1 1.94 0.03 . 2 . . . . . . . . 5326 1 791 . 1 1 64 64 PRO HG3 H 1 2.28 0.03 . 2 . . . . . . . . 5326 1 792 . 1 1 64 64 PRO HD2 H 1 3.65 0.03 . 2 . . . . . . . . 5326 1 793 . 1 1 64 64 PRO HD3 H 1 3.85 0.03 . 2 . . . . . . . . 5326 1 794 . 1 1 64 64 PRO C C 13 177.7 0.3 . 1 . . . . . . . . 5326 1 795 . 1 1 64 64 PRO CA C 13 66.3 0.3 . 1 . . . . . . . . 5326 1 796 . 1 1 64 64 PRO CB C 13 31.4 0.3 . 1 . . . . . . . . 5326 1 797 . 1 1 64 64 PRO CG C 13 28.7 0.3 . 1 . . . . . . . . 5326 1 798 . 1 1 64 64 PRO CD C 13 49.9 0.3 . 1 . . . . . . . . 5326 1 799 . 1 1 65 65 MET H H 1 7.20 0.015 . 1 . . . . . . . . 5326 1 800 . 1 1 65 65 MET HA H 1 4.17 0.03 . 1 . . . . . . . . 5326 1 801 . 1 1 65 65 MET HB2 H 1 2.20 0.03 . 2 . . . . . . . . 5326 1 802 . 1 1 65 65 MET HB3 H 1 2.32 0.03 . 2 . . . . . . . . 5326 1 803 . 1 1 65 65 MET HG2 H 1 2.60 0.03 . 2 . . . . . . . . 5326 1 804 . 1 1 65 65 MET HG3 H 1 2.79 0.03 . 2 . . . . . . . . 5326 1 805 . 1 1 65 65 MET C C 13 178.6 0.3 . 1 . . . . . . . . 5326 1 806 . 1 1 65 65 MET CA C 13 59.1 0.3 . 1 . . . . . . . . 5326 1 807 . 1 1 65 65 MET CB C 13 33.1 0.3 . 1 . . . . . . . . 5326 1 808 . 1 1 65 65 MET CG C 13 33.0 0.3 . 1 . . . . . . . . 5326 1 809 . 1 1 65 65 MET N N 15 113.5 0.2 . 1 . . . . . . . . 5326 1 810 . 1 1 66 66 ILE H H 1 8.22 0.015 . 1 . . . . . . . . 5326 1 811 . 1 1 66 66 ILE HA H 1 3.77 0.03 . 1 . . . . . . . . 5326 1 812 . 1 1 66 66 ILE HB H 1 2.05 0.03 . 1 . . . . . . . . 5326 1 813 . 1 1 66 66 ILE HG12 H 1 1.16 0.03 . 2 . . . . . . . . 5326 1 814 . 1 1 66 66 ILE HG13 H 1 1.82 0.03 . 2 . . . . . . . . 5326 1 815 . 1 1 66 66 ILE HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 816 . 1 1 66 66 ILE HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 817 . 1 1 66 66 ILE HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 818 . 1 1 66 66 ILE HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 819 . 1 1 66 66 ILE HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 820 . 1 1 66 66 ILE HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 821 . 1 1 66 66 ILE C C 13 177.5 0.3 . 1 . . . . . . . . 5326 1 822 . 1 1 66 66 ILE CA C 13 64.9 0.3 . 1 . . . . . . . . 5326 1 823 . 1 1 66 66 ILE CB C 13 38.0 0.3 . 1 . . . . . . . . 5326 1 824 . 1 1 66 66 ILE CG1 C 13 29.5 0.3 . 2 . . . . . . . . 5326 1 825 . 1 1 66 66 ILE CG2 C 13 17.8 0.3 . 2 . . . . . . . . 5326 1 826 . 1 1 66 66 ILE CD1 C 13 13.3 0.3 . 1 . . . . . . . . 5326 1 827 . 1 1 66 66 ILE N N 15 120.5 0.2 . 1 . . . . . . . . 5326 1 828 . 1 1 67 67 ALA H H 1 8.32 0.015 . 1 . . . . . . . . 5326 1 829 . 1 1 67 67 ALA HA H 1 4.05 0.03 . 1 . . . . . . . . 5326 1 830 . 1 1 67 67 ALA HB1 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 831 . 1 1 67 67 ALA HB2 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 832 . 1 1 67 67 ALA HB3 H 1 1.6 0.03 . 1 . . . . . . . . 5326 1 833 . 1 1 67 67 ALA C C 13 180.1 0.3 . 1 . . . . . . . . 5326 1 834 . 1 1 67 67 ALA CA C 13 56.0 0.3 . 1 . . . . . . . . 5326 1 835 . 1 1 67 67 ALA CB C 13 18.8 0.3 . 1 . . . . . . . . 5326 1 836 . 1 1 67 67 ALA N N 15 121.0 0.2 . 1 . . . . . . . . 5326 1 837 . 1 1 68 68 VAL H H 1 8.08 0.015 . 1 . . . . . . . . 5326 1 838 . 1 1 68 68 VAL HA H 1 3.77 0.03 . 1 . . . . . . . . 5326 1 839 . 1 1 68 68 VAL HB H 1 2.24 0.03 . 1 . . . . . . . . 5326 1 840 . 1 1 68 68 VAL HG11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 841 . 1 1 68 68 VAL HG12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 842 . 1 1 68 68 VAL HG13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 843 . 1 1 68 68 VAL HG21 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 844 . 1 1 68 68 VAL HG22 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 845 . 1 1 68 68 VAL HG23 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 846 . 1 1 68 68 VAL C C 13 178.1 0.3 . 1 . . . . . . . . 5326 1 847 . 1 1 68 68 VAL CA C 13 66.7 0.3 . 1 . . . . . . . . 5326 1 848 . 1 1 68 68 VAL CB C 13 32.2 0.3 . 1 . . . . . . . . 5326 1 849 . 1 1 68 68 VAL CG1 C 13 21.6 0.3 . 2 . . . . . . . . 5326 1 850 . 1 1 68 68 VAL CG2 C 13 23.6 0.3 . 2 . . . . . . . . 5326 1 851 . 1 1 68 68 VAL N N 15 117.2 0.2 . 1 . . . . . . . . 5326 1 852 . 1 1 69 69 GLY H H 1 8.24 0.015 . 1 . . . . . . . . 5326 1 853 . 1 1 69 69 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 5326 1 854 . 1 1 69 69 GLY C C 13 175.7 0.3 . 1 . . . . . . . . 5326 1 855 . 1 1 69 69 GLY CA C 13 48.2 0.3 . 1 . . . . . . . . 5326 1 856 . 1 1 69 69 GLY N N 15 107.1 0.2 . 1 . . . . . . . . 5326 1 857 . 1 1 70 70 LEU H H 1 8.71 0.015 . 1 . . . . . . . . 5326 1 858 . 1 1 70 70 LEU HA H 1 4.27 0.03 . 1 . . . . . . . . 5326 1 859 . 1 1 70 70 LEU HB2 H 1 1.70 0.03 . 2 . . . . . . . . 5326 1 860 . 1 1 70 70 LEU HB3 H 1 1.86 0.03 . 2 . . . . . . . . 5326 1 861 . 1 1 70 70 LEU HG H 1 1.85 0.03 . 1 . . . . . . . . 5326 1 862 . 1 1 70 70 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 863 . 1 1 70 70 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 864 . 1 1 70 70 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 865 . 1 1 70 70 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 866 . 1 1 70 70 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 867 . 1 1 70 70 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 868 . 1 1 70 70 LEU C C 13 178.9 0.3 . 1 . . . . . . . . 5326 1 869 . 1 1 70 70 LEU CA C 13 58.1 0.3 . 1 . . . . . . . . 5326 1 870 . 1 1 70 70 LEU CB C 13 42.2 0.3 . 1 . . . . . . . . 5326 1 871 . 1 1 70 70 LEU CG C 13 27.3 0.3 . 1 . . . . . . . . 5326 1 872 . 1 1 70 70 LEU CD1 C 13 24.2 0.3 . 1 . . . . . . . . 5326 1 873 . 1 1 70 70 LEU CD2 C 13 25.4 0.3 . 1 . . . . . . . . 5326 1 874 . 1 1 70 70 LEU N N 15 121.6 0.2 . 1 . . . . . . . . 5326 1 875 . 1 1 71 71 GLY H H 1 8.25 0.015 . 1 . . . . . . . . 5326 1 876 . 1 1 71 71 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 5326 1 877 . 1 1 71 71 GLY C C 13 175.6 0.3 . 1 . . . . . . . . 5326 1 878 . 1 1 71 71 GLY CA C 13 48.0 0.3 . 1 . . . . . . . . 5326 1 879 . 1 1 71 71 GLY N N 15 106.2 0.2 . 1 . . . . . . . . 5326 1 880 . 1 1 72 72 LEU H H 1 8.42 0.015 . 1 . . . . . . . . 5326 1 881 . 1 1 72 72 LEU HA H 1 4.12 0.03 . 1 . . . . . . . . 5326 1 882 . 1 1 72 72 LEU HB2 H 1 1.54 0.03 . 2 . . . . . . . . 5326 1 883 . 1 1 72 72 LEU HB3 H 1 2.04 0.03 . 2 . . . . . . . . 5326 1 884 . 1 1 72 72 LEU HG H 1 1.94 0.03 . 1 . . . . . . . . 5326 1 885 . 1 1 72 72 LEU HD21 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 886 . 1 1 72 72 LEU HD22 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 887 . 1 1 72 72 LEU HD23 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 888 . 1 1 72 72 LEU HD11 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 889 . 1 1 72 72 LEU HD12 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 890 . 1 1 72 72 LEU HD13 H 1 0.9 0.03 . 1 . . . . . . . . 5326 1 891 . 1 1 72 72 LEU C C 13 178.3 0.3 . 1 . . . . . . . . 5326 1 892 . 1 1 72 72 LEU CA C 13 58.2 0.3 . 1 . . . . . . . . 5326 1 893 . 1 1 72 72 LEU CB C 13 42.3 0.3 . 1 . . . . . . . . 5326 1 894 . 1 1 72 72 LEU CG C 13 27.2 0.3 . 1 . . . . . . . . 5326 1 895 . 1 1 72 72 LEU CD1 C 13 23.6 0.3 . 1 . . . . . . . . 5326 1 896 . 1 1 72 72 LEU CD2 C 13 26.2 0.3 . 1 . . . . . . . . 5326 1 897 . 1 1 72 72 LEU N N 15 121.2 0.2 . 1 . . . . . . . . 5326 1 898 . 1 1 73 73 TYR H H 1 8.13 0.015 . 1 . . . . . . . . 5326 1 899 . 1 1 73 73 TYR HA H 1 4.15 0.03 . 1 . . . . . . . . 5326 1 900 . 1 1 73 73 TYR HB2 H 1 3.23 0.03 . 2 . . . . . . . . 5326 1 901 . 1 1 73 73 TYR HB3 H 1 3.38 0.03 . 2 . . . . . . . . 5326 1 902 . 1 1 73 73 TYR HD1 H 1 7.06 0.03 . 1 . . . . . . . . 5326 1 903 . 1 1 73 73 TYR HD2 H 1 7.06 0.03 . 1 . . . . . . . . 5326 1 904 . 1 1 73 73 TYR HE1 H 1 6.75 0.03 . 1 . . . . . . . . 5326 1 905 . 1 1 73 73 TYR HE2 H 1 6.75 0.03 . 1 . . . . . . . . 5326 1 906 . 1 1 73 73 TYR C C 13 177.7 0.3 . 1 . . . . . . . . 5326 1 907 . 1 1 73 73 TYR CA C 13 62.4 0.3 . 1 . . . . . . . . 5326 1 908 . 1 1 73 73 TYR CB C 13 38.7 0.3 . 1 . . . . . . . . 5326 1 909 . 1 1 73 73 TYR CD1 C 13 132.9 0.3 . 1 . . . . . . . . 5326 1 910 . 1 1 73 73 TYR CD2 C 13 132.9 0.3 . 1 . . . . . . . . 5326 1 911 . 1 1 73 73 TYR CE1 C 13 117.9 0.3 . 1 . . . . . . . . 5326 1 912 . 1 1 73 73 TYR CE2 C 13 117.9 0.3 . 1 . . . . . . . . 5326 1 913 . 1 1 73 73 TYR N N 15 119.0 0.2 . 1 . . . . . . . . 5326 1 914 . 1 1 74 74 VAL H H 1 8.36 0.015 . 1 . . . . . . . . 5326 1 915 . 1 1 74 74 VAL HA H 1 3.53 0.03 . 1 . . . . . . . . 5326 1 916 . 1 1 74 74 VAL HB H 1 2.27 0.03 . 1 . . . . . . . . 5326 1 917 . 1 1 74 74 VAL HG11 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 918 . 1 1 74 74 VAL HG12 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 919 . 1 1 74 74 VAL HG13 H 1 1.0 0.03 . 2 . . . . . . . . 5326 1 920 . 1 1 74 74 VAL HG21 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 921 . 1 1 74 74 VAL HG22 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 922 . 1 1 74 74 VAL HG23 H 1 1.2 0.03 . 2 . . . . . . . . 5326 1 923 . 1 1 74 74 VAL C C 13 177.5 0.3 . 1 . . . . . . . . 5326 1 924 . 1 1 74 74 VAL CA C 13 67.0 0.3 . 1 . . . . . . . . 5326 1 925 . 1 1 74 74 VAL CB C 13 31.8 0.3 . 1 . . . . . . . . 5326 1 926 . 1 1 74 74 VAL CG1 C 13 22.1 0.3 . 2 . . . . . . . . 5326 1 927 . 1 1 74 74 VAL CG2 C 13 23.4 0.3 . 2 . . . . . . . . 5326 1 928 . 1 1 74 74 VAL N N 15 117.5 0.2 . 1 . . . . . . . . 5326 1 929 . 1 1 75 75 MET H H 1 8.05 0.015 . 1 . . . . . . . . 5326 1 930 . 1 1 75 75 MET HA H 1 4.01 0.03 . 1 . . . . . . . . 5326 1 931 . 1 1 75 75 MET HB2 H 1 2.00 0.03 . 2 . . . . . . . . 5326 1 932 . 1 1 75 75 MET HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5326 1 933 . 1 1 75 75 MET HG2 H 1 2.38 0.03 . 2 . . . . . . . . 5326 1 934 . 1 1 75 75 MET HG3 H 1 2.58 0.03 . 2 . . . . . . . . 5326 1 935 . 1 1 75 75 MET C C 13 177.7 0.3 . 1 . . . . . . . . 5326 1 936 . 1 1 75 75 MET CA C 13 59.2 0.3 . 1 . . . . . . . . 5326 1 937 . 1 1 75 75 MET CB C 13 32.8 0.3 . 1 . . . . . . . . 5326 1 938 . 1 1 75 75 MET CG C 13 34.9 0.3 . 1 . . . . . . . . 5326 1 939 . 1 1 75 75 MET N N 15 117.0 0.2 . 1 . . . . . . . . 5326 1 940 . 1 1 76 76 PHE H H 1 8.13 0.015 . 1 . . . . . . . . 5326 1 941 . 1 1 76 76 PHE HA H 1 4.39 0.03 . 1 . . . . . . . . 5326 1 942 . 1 1 76 76 PHE HB2 H 1 3.08 0.03 . 2 . . . . . . . . 5326 1 943 . 1 1 76 76 PHE HB3 H 1 3.17 0.03 . 2 . . . . . . . . 5326 1 944 . 1 1 76 76 PHE C C 13 176.9 0.3 . 1 . . . . . . . . 5326 1 945 . 1 1 76 76 PHE HD1 H 1 7.30 0.03 . 1 . . . . . . . . 5326 1 946 . 1 1 76 76 PHE HD2 H 1 7.30 0.03 . 1 . . . . . . . . 5326 1 947 . 1 1 76 76 PHE HE1 H 1 7.24 0.03 . 1 . . . . . . . . 5326 1 948 . 1 1 76 76 PHE HE2 H 1 7.24 0.03 . 1 . . . . . . . . 5326 1 949 . 1 1 76 76 PHE HZ H 1 7.20 0.03 . 1 . . . . . . . . 5326 1 950 . 1 1 76 76 PHE CA C 13 60.1 0.3 . 1 . . . . . . . . 5326 1 951 . 1 1 76 76 PHE CB C 13 39.5 0.3 . 1 . . . . . . . . 5326 1 952 . 1 1 76 76 PHE CD1 C 13 131.6 0.3 . 1 . . . . . . . . 5326 1 953 . 1 1 76 76 PHE CD2 C 13 131.6 0.3 . 1 . . . . . . . . 5326 1 954 . 1 1 76 76 PHE CE1 C 13 130.7 0.3 . 1 . . . . . . . . 5326 1 955 . 1 1 76 76 PHE CE2 C 13 130.7 0.3 . 1 . . . . . . . . 5326 1 956 . 1 1 76 76 PHE CZ C 13 129.0 0.3 . 1 . . . . . . . . 5326 1 957 . 1 1 76 76 PHE N N 15 115.5 0.2 . 1 . . . . . . . . 5326 1 958 . 1 1 77 77 ALA H H 1 8.25 0.015 . 1 . . . . . . . . 5326 1 959 . 1 1 77 77 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 5326 1 960 . 1 1 77 77 ALA HB1 H 1 1.3 0.03 . 1 . . . . . . . . 5326 1 961 . 1 1 77 77 ALA HB2 H 1 1.3 0.03 . 1 . . . . . . . . 5326 1 962 . 1 1 77 77 ALA HB3 H 1 1.3 0.03 . 1 . . . . . . . . 5326 1 963 . 1 1 77 77 ALA C C 13 178.7 0.3 . 1 . . . . . . . . 5326 1 964 . 1 1 77 77 ALA CA C 13 54.3 0.3 . 1 . . . . . . . . 5326 1 965 . 1 1 77 77 ALA CB C 13 19.1 0.3 . 1 . . . . . . . . 5326 1 966 . 1 1 77 77 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 5326 1 967 . 1 1 78 78 VAL H H 1 7.75 0.015 . 1 . . . . . . . . 5326 1 968 . 1 1 78 78 VAL HA H 1 4.12 0.03 . 1 . . . . . . . . 5326 1 969 . 1 1 78 78 VAL HB H 1 2.26 0.03 . 1 . . . . . . . . 5326 1 970 . 1 1 78 78 VAL HG11 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 971 . 1 1 78 78 VAL HG12 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 972 . 1 1 78 78 VAL HG13 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 973 . 1 1 78 78 VAL HG21 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 974 . 1 1 78 78 VAL HG22 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 975 . 1 1 78 78 VAL HG23 H 1 1.0 0.03 . 1 . . . . . . . . 5326 1 976 . 1 1 78 78 VAL C C 13 175.6 0.3 . 1 . . . . . . . . 5326 1 977 . 1 1 78 78 VAL CA C 13 62.9 0.3 . 1 . . . . . . . . 5326 1 978 . 1 1 78 78 VAL CB C 13 32.7 0.3 . 1 . . . . . . . . 5326 1 979 . 1 1 78 78 VAL CG1 C 13 21.0 0.3 . 2 . . . . . . . . 5326 1 980 . 1 1 78 78 VAL CG2 C 13 21.5 0.3 . 2 . . . . . . . . 5326 1 981 . 1 1 78 78 VAL N N 15 112.9 0.2 . 1 . . . . . . . . 5326 1 982 . 1 1 79 79 ALA H H 1 7.72 0.015 . 1 . . . . . . . . 5326 1 983 . 1 1 79 79 ALA HA H 1 4.26 0.03 . 1 . . . . . . . . 5326 1 984 . 1 1 79 79 ALA HB1 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 985 . 1 1 79 79 ALA HB2 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 986 . 1 1 79 79 ALA HB3 H 1 1.4 0.03 . 1 . . . . . . . . 5326 1 987 . 1 1 79 79 ALA CA C 13 52.1 0.3 . 1 . . . . . . . . 5326 1 988 . 1 1 79 79 ALA CB C 13 18.9 0.3 . 1 . . . . . . . . 5326 1 989 . 1 1 79 79 ALA N N 15 124.4 0.2 . 1 . . . . . . . . 5326 1 stop_ save_