data_6564 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6564 _Entry.Title ; Chemical Shift Assignment for OSCP-NT (1-120) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-21 _Entry.Accession_date 2005-03-21 _Entry.Last_release_date 2005-09-22 _Entry.Original_release_date 2005-09-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; NMR assignments for the N-terminal domain (1-120) of OSCP (oligomycin sensitivity conferral protein) from bovine ATPase. ; _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 Rodrigo Carbajo . J. . 6564 2 Fiona Kellas . A. . 6564 3 Michael Runswick . J. . 6564 4 John Walker . E. . 6564 5 David Neuhaus . . . 6564 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6564 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 6564 '15N chemical shifts' 120 6564 '1H chemical shifts' 878 6564 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-09-22 2005-03-21 original author . 6564 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2BO5 'BMRB Entry Tracking System' 6564 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6564 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of the F(1)-binding Domain of the Stator of Bovine F(1)F(o)-ATPase and How it Binds an alpha-Subunit. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 351 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 824 _Citation.Page_last 838 _Citation.Year 2005 _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 Rodrigo Carbajo . J. . 6564 1 2 Fiona Kellas . A. . 6564 1 3 Michael Runswick . J. . 6564 1 4 Martin Montgomery . G. . 6564 1 5 John Walker . E. . 6564 1 6 David Neuhaus . . . 6564 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6564 _Assembly.ID 1 _Assembly.Name 'OSCP N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; N-terminal domain (1-120) of OSCP (oligomycin sensitivity conferral protein; full length: 190 aa). ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6564 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 'OSCP N-terminal domain' 1 $N-terminal_OSCP . . yes native no no . . . 6564 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N-terminal_OSCP _Entity.Sf_category entity _Entity.Sf_framecode N-terminal_OSCP _Entity.Entry_ID 6564 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nt OSCP' _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 ; FAKLVRPPVQIYGIEGRYAT ALYSAASKQNKLEQVEKELL RVGQILKEPKMAASLLNPYV KRSVKVKSLSDMTAKEKFSP LTSNLINLLAENGRLTNTPA VISAFSTMMSVHRGEVPCTV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 15072 . oscp-nt . . . . . 100.00 120 100.00 100.00 2.50e-80 . . . . 6564 1 2 no PDB 2BO5 . "Bovine Oligomycin Sensitivity Conferral Protein N-Terminal Domain" . . . . . 100.00 120 100.00 100.00 2.50e-80 . . . . 6564 1 3 no PDB 2JMX . "Oscp-Nt (1-120) In Complex With N-Terminal (1-25) Alpha Subunit From F1-Atpase" . . . . . 100.00 120 100.00 100.00 2.50e-80 . . . . 6564 1 4 no PDB 4B2Q . "Model Of The Yeast F1fo-atp Synthase Dimer Based On Subtomogram Average" . . . . . 100.00 120 100.00 100.00 2.50e-80 . . . . 6564 1 5 no GB AAA30676 . "oligomycin sensitivity conferral protein precursor [Bos taurus]" . . . . . 100.00 213 100.00 100.00 4.42e-80 . . . . 6564 1 6 no GB AAI02205 . "ATP synthase, H+ transporting, mitochondrial F1 complex, O subunit [Bos taurus]" . . . . . 100.00 213 100.00 100.00 4.61e-80 . . . . 6564 1 7 no GB ELR58089 . "ATP synthase subunit O, mitochondrial [Bos mutus]" . . . . . 100.00 213 98.33 98.33 6.61e-78 . . . . 6564 1 8 no PRF 1002210A . "protein,oligomycin sensitivity" . . . . . 100.00 190 98.33 99.17 1.62e-78 . . . . 6564 1 9 no REF NP_776669 . "ATP synthase subunit O, mitochondrial precursor [Bos taurus]" . . . . . 100.00 213 100.00 100.00 4.42e-80 . . . . 6564 1 10 no REF XP_005674722 . "PREDICTED: ATP synthase subunit O, mitochondrial [Capra hircus]" . . . . . 100.00 213 97.50 99.17 3.96e-78 . . . . 6564 1 11 no REF XP_005893414 . "PREDICTED: ATP synthase subunit O, mitochondrial [Bos mutus]" . . . . . 100.00 213 98.33 98.33 6.61e-78 . . . . 6564 1 12 no REF XP_005956973 . "PREDICTED: ATP synthase subunit O, mitochondrial isoform X1 [Pantholops hodgsonii]" . . . . . 100.00 213 97.50 99.17 3.67e-78 . . . . 6564 1 13 no REF XP_005956974 . "PREDICTED: ATP synthase subunit O, mitochondrial isoform X2 [Pantholops hodgsonii]" . . . . . 100.00 194 97.50 99.17 2.98e-78 . . . . 6564 1 14 no SP P13621 . "RecName: Full=ATP synthase subunit O, mitochondrial; AltName: Full=Oligomycin sensitivity conferral protein; Short=OSCP; Flags:" . . . . . 100.00 213 100.00 100.00 4.61e-80 . . . . 6564 1 15 no TPG DAA33707 . "TPA: ATP synthase subunit O, mitochondrial precursor [Bos taurus]" . . . . . 100.00 213 100.00 100.00 4.61e-80 . . . . 6564 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 . PHE . 6564 1 2 . ALA . 6564 1 3 . LYS . 6564 1 4 . LEU . 6564 1 5 . VAL . 6564 1 6 . ARG . 6564 1 7 . PRO . 6564 1 8 . PRO . 6564 1 9 . VAL . 6564 1 10 . GLN . 6564 1 11 . ILE . 6564 1 12 . TYR . 6564 1 13 . GLY . 6564 1 14 . ILE . 6564 1 15 . GLU . 6564 1 16 . GLY . 6564 1 17 . ARG . 6564 1 18 . TYR . 6564 1 19 . ALA . 6564 1 20 . THR . 6564 1 21 . ALA . 6564 1 22 . LEU . 6564 1 23 . TYR . 6564 1 24 . SER . 6564 1 25 . ALA . 6564 1 26 . ALA . 6564 1 27 . SER . 6564 1 28 . LYS . 6564 1 29 . GLN . 6564 1 30 . ASN . 6564 1 31 . LYS . 6564 1 32 . LEU . 6564 1 33 . GLU . 6564 1 34 . GLN . 6564 1 35 . VAL . 6564 1 36 . GLU . 6564 1 37 . LYS . 6564 1 38 . GLU . 6564 1 39 . LEU . 6564 1 40 . LEU . 6564 1 41 . ARG . 6564 1 42 . VAL . 6564 1 43 . GLY . 6564 1 44 . GLN . 6564 1 45 . ILE . 6564 1 46 . LEU . 6564 1 47 . LYS . 6564 1 48 . GLU . 6564 1 49 . PRO . 6564 1 50 . LYS . 6564 1 51 . MET . 6564 1 52 . ALA . 6564 1 53 . ALA . 6564 1 54 . SER . 6564 1 55 . LEU . 6564 1 56 . LEU . 6564 1 57 . ASN . 6564 1 58 . PRO . 6564 1 59 . TYR . 6564 1 60 . VAL . 6564 1 61 . LYS . 6564 1 62 . ARG . 6564 1 63 . SER . 6564 1 64 . VAL . 6564 1 65 . LYS . 6564 1 66 . VAL . 6564 1 67 . LYS . 6564 1 68 . SER . 6564 1 69 . LEU . 6564 1 70 . SER . 6564 1 71 . ASP . 6564 1 72 . MET . 6564 1 73 . THR . 6564 1 74 . ALA . 6564 1 75 . LYS . 6564 1 76 . GLU . 6564 1 77 . LYS . 6564 1 78 . PHE . 6564 1 79 . SER . 6564 1 80 . PRO . 6564 1 81 . LEU . 6564 1 82 . THR . 6564 1 83 . SER . 6564 1 84 . ASN . 6564 1 85 . LEU . 6564 1 86 . ILE . 6564 1 87 . ASN . 6564 1 88 . LEU . 6564 1 89 . LEU . 6564 1 90 . ALA . 6564 1 91 . GLU . 6564 1 92 . ASN . 6564 1 93 . GLY . 6564 1 94 . ARG . 6564 1 95 . LEU . 6564 1 96 . THR . 6564 1 97 . ASN . 6564 1 98 . THR . 6564 1 99 . PRO . 6564 1 100 . ALA . 6564 1 101 . VAL . 6564 1 102 . ILE . 6564 1 103 . SER . 6564 1 104 . ALA . 6564 1 105 . PHE . 6564 1 106 . SER . 6564 1 107 . THR . 6564 1 108 . MET . 6564 1 109 . MET . 6564 1 110 . SER . 6564 1 111 . VAL . 6564 1 112 . HIS . 6564 1 113 . ARG . 6564 1 114 . GLY . 6564 1 115 . GLU . 6564 1 116 . VAL . 6564 1 117 . PRO . 6564 1 118 . CYS . 6564 1 119 . THR . 6564 1 120 . VAL . 6564 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 . PHE 1 1 6564 1 . ALA 2 2 6564 1 . LYS 3 3 6564 1 . LEU 4 4 6564 1 . VAL 5 5 6564 1 . ARG 6 6 6564 1 . PRO 7 7 6564 1 . PRO 8 8 6564 1 . VAL 9 9 6564 1 . GLN 10 10 6564 1 . ILE 11 11 6564 1 . TYR 12 12 6564 1 . GLY 13 13 6564 1 . ILE 14 14 6564 1 . GLU 15 15 6564 1 . GLY 16 16 6564 1 . ARG 17 17 6564 1 . TYR 18 18 6564 1 . ALA 19 19 6564 1 . THR 20 20 6564 1 . ALA 21 21 6564 1 . LEU 22 22 6564 1 . TYR 23 23 6564 1 . SER 24 24 6564 1 . ALA 25 25 6564 1 . ALA 26 26 6564 1 . SER 27 27 6564 1 . LYS 28 28 6564 1 . GLN 29 29 6564 1 . ASN 30 30 6564 1 . LYS 31 31 6564 1 . LEU 32 32 6564 1 . GLU 33 33 6564 1 . GLN 34 34 6564 1 . VAL 35 35 6564 1 . GLU 36 36 6564 1 . LYS 37 37 6564 1 . GLU 38 38 6564 1 . LEU 39 39 6564 1 . LEU 40 40 6564 1 . ARG 41 41 6564 1 . VAL 42 42 6564 1 . GLY 43 43 6564 1 . GLN 44 44 6564 1 . ILE 45 45 6564 1 . LEU 46 46 6564 1 . LYS 47 47 6564 1 . GLU 48 48 6564 1 . PRO 49 49 6564 1 . LYS 50 50 6564 1 . MET 51 51 6564 1 . ALA 52 52 6564 1 . ALA 53 53 6564 1 . SER 54 54 6564 1 . LEU 55 55 6564 1 . LEU 56 56 6564 1 . ASN 57 57 6564 1 . PRO 58 58 6564 1 . TYR 59 59 6564 1 . VAL 60 60 6564 1 . LYS 61 61 6564 1 . ARG 62 62 6564 1 . SER 63 63 6564 1 . VAL 64 64 6564 1 . LYS 65 65 6564 1 . VAL 66 66 6564 1 . LYS 67 67 6564 1 . SER 68 68 6564 1 . LEU 69 69 6564 1 . SER 70 70 6564 1 . ASP 71 71 6564 1 . MET 72 72 6564 1 . THR 73 73 6564 1 . ALA 74 74 6564 1 . LYS 75 75 6564 1 . GLU 76 76 6564 1 . LYS 77 77 6564 1 . PHE 78 78 6564 1 . SER 79 79 6564 1 . PRO 80 80 6564 1 . LEU 81 81 6564 1 . THR 82 82 6564 1 . SER 83 83 6564 1 . ASN 84 84 6564 1 . LEU 85 85 6564 1 . ILE 86 86 6564 1 . ASN 87 87 6564 1 . LEU 88 88 6564 1 . LEU 89 89 6564 1 . ALA 90 90 6564 1 . GLU 91 91 6564 1 . ASN 92 92 6564 1 . GLY 93 93 6564 1 . ARG 94 94 6564 1 . LEU 95 95 6564 1 . THR 96 96 6564 1 . ASN 97 97 6564 1 . THR 98 98 6564 1 . PRO 99 99 6564 1 . ALA 100 100 6564 1 . VAL 101 101 6564 1 . ILE 102 102 6564 1 . SER 103 103 6564 1 . ALA 104 104 6564 1 . PHE 105 105 6564 1 . SER 106 106 6564 1 . THR 107 107 6564 1 . MET 108 108 6564 1 . MET 109 109 6564 1 . SER 110 110 6564 1 . VAL 111 111 6564 1 . HIS 112 112 6564 1 . ARG 113 113 6564 1 . GLY 114 114 6564 1 . GLU 115 115 6564 1 . VAL 116 116 6564 1 . PRO 117 117 6564 1 . CYS 118 118 6564 1 . THR 119 119 6564 1 . VAL 120 120 6564 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 6564 _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 $N-terminal_OSCP . 9913 organism . 'Bos taurus' Cow . . Eukaryota Metazoa Bos taurus . . . heart . . . . . mitochondrion . . . . . . . . . . . 6564 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 6564 _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 $N-terminal_OSCP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6564 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6564 _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 'OSCP N-terminal domain' '[U-95% 13C; U-90% 15N]' . . 1 $N-terminal_OSCP . . 0.5 . . mM . . . . 6564 1 2 NaCl . . . . . . . 0.5 . . M . . . . 6564 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6564 _Sample_condition_list.ID 1 _Sample_condition_list.Details '0.5 M NaCl concentration' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6564 1 temperature 300 1 K 6564 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6564 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . . 6564 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID acquisition 6564 1 processing 6564 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6564 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR analysis' 6564 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 6564 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details ; "CRYSTALLOGRAPHY AND NMR SYSTEM (CNS): A NEW SOFTWARE SYSTEM FOR MACROMOLECULAR STRUCTURE DETERMINATION". BRUNGER A.T., ADA ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR structure calculations' 6564 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6564 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6564 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6564 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6564 _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 1H15N_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 2 1H13C_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 3 1H1H_NOESY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 4 1H1H_TOCSY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 5 15N_NOESY_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 6 13C_NOESY_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 7 HNCA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 8 CBCA(CO)NH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 9 HCCH_COSY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6564 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6564 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6564 _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 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6564 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6564 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6564 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6564 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 6564 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 PHE HA H 1 4.74 0.01 . 1 . . . . 1 PHE HA . 6564 1 2 . 1 1 1 1 PHE HB2 H 1 3.12 0.01 . 2 . . . . 1 PHE HB2 . 6564 1 3 . 1 1 1 1 PHE HB3 H 1 3.24 0.01 . 2 . . . . 1 PHE HB3 . 6564 1 4 . 1 1 1 1 PHE HD1 H 1 7.37 0.01 . 1 . . . . 1 PHE HD1 . 6564 1 5 . 1 1 1 1 PHE HD2 H 1 7.37 0.01 . 1 . . . . 1 PHE HD2 . 6564 1 6 . 1 1 1 1 PHE HE1 H 1 7.44 0.01 . 1 . . . . 1 PHE HE1 . 6564 1 7 . 1 1 1 1 PHE HE2 H 1 7.44 0.01 . 1 . . . . 1 PHE HE2 . 6564 1 8 . 1 1 1 1 PHE HZ H 1 7.38 0.01 . 1 . . . . 1 PHE HZ . 6564 1 9 . 1 1 1 1 PHE CA C 13 57.8 0.2 . 1 . . . . 1 PHE CA . 6564 1 10 . 1 1 1 1 PHE CB C 13 39.5 0.2 . 1 . . . . 1 PHE CB . 6564 1 11 . 1 1 1 1 PHE CD1 C 13 131.9 0.2 . 1 . . . . 1 PHE CD1 . 6564 1 12 . 1 1 1 1 PHE CD2 C 13 131.9 0.2 . 1 . . . . 1 PHE CD2 . 6564 1 13 . 1 1 1 1 PHE CE1 C 13 131.9 0.2 . 1 . . . . 1 PHE CE1 . 6564 1 14 . 1 1 1 1 PHE CE2 C 13 131.9 0.2 . 1 . . . . 1 PHE CE2 . 6564 1 15 . 1 1 1 1 PHE CZ C 13 130.0 0.2 . 1 . . . . 1 PHE CZ . 6564 1 16 . 1 1 2 2 ALA H H 1 8.36 0.01 . 1 . . . . 2 ALA H . 6564 1 17 . 1 1 2 2 ALA HA H 1 4.36 0.01 . 1 . . . . 2 ALA HA . 6564 1 18 . 1 1 2 2 ALA HB1 H 1 1.41 0.01 . 1 . . . . 2 ALA HB . 6564 1 19 . 1 1 2 2 ALA HB2 H 1 1.41 0.01 . 1 . . . . 2 ALA HB . 6564 1 20 . 1 1 2 2 ALA HB3 H 1 1.41 0.01 . 1 . . . . 2 ALA HB . 6564 1 21 . 1 1 2 2 ALA CA C 13 52.4 0.2 . 1 . . . . 2 ALA CA . 6564 1 22 . 1 1 2 2 ALA CB C 13 19.6 0.2 . 1 . . . . 2 ALA CB . 6564 1 23 . 1 1 2 2 ALA N N 15 126.2 0.2 . 1 . . . . 2 ALA N . 6564 1 24 . 1 1 3 3 LYS H H 1 8.19 0.01 . 1 . . . . 3 LYS H . 6564 1 25 . 1 1 3 3 LYS HA H 1 4.31 0.01 . 1 . . . . 3 LYS HA . 6564 1 26 . 1 1 3 3 LYS HB2 H 1 1.80 0.01 . 2 . . . . 3 LYS HB2 . 6564 1 27 . 1 1 3 3 LYS HB3 H 1 1.88 0.01 . 2 . . . . 3 LYS HB3 . 6564 1 28 . 1 1 3 3 LYS HG2 H 1 1.48 0.01 . 2 . . . . 3 LYS HG2 . 6564 1 29 . 1 1 3 3 LYS HG3 H 1 1.52 0.01 . 2 . . . . 3 LYS HG3 . 6564 1 30 . 1 1 3 3 LYS HD2 H 1 1.78 0.01 . 1 . . . . 3 LYS HD2 . 6564 1 31 . 1 1 3 3 LYS HD3 H 1 1.78 0.01 . 1 . . . . 3 LYS HD3 . 6564 1 32 . 1 1 3 3 LYS HE2 H 1 3.06 0.01 . 1 . . . . 3 LYS HE2 . 6564 1 33 . 1 1 3 3 LYS HE3 H 1 3.06 0.01 . 1 . . . . 3 LYS HE3 . 6564 1 34 . 1 1 3 3 LYS CA C 13 56.3 0.2 . 1 . . . . 3 LYS CA . 6564 1 35 . 1 1 3 3 LYS CB C 13 33.1 0.2 . 1 . . . . 3 LYS CB . 6564 1 36 . 1 1 3 3 LYS CG C 13 24.9 0.2 . 1 . . . . 3 LYS CG . 6564 1 37 . 1 1 3 3 LYS CD C 13 29.2 0.2 . 1 . . . . 3 LYS CD . 6564 1 38 . 1 1 3 3 LYS CE C 13 42.2 0.2 . 1 . . . . 3 LYS CE . 6564 1 39 . 1 1 3 3 LYS N N 15 120.5 0.2 . 1 . . . . 3 LYS N . 6564 1 40 . 1 1 4 4 LEU H H 1 8.25 0.01 . 1 . . . . 4 LEU H . 6564 1 41 . 1 1 4 4 LEU HA H 1 4.44 0.01 . 1 . . . . 4 LEU HA . 6564 1 42 . 1 1 4 4 LEU HB2 H 1 1.63 0.01 . 2 . . . . 4 LEU HB2 . 6564 1 43 . 1 1 4 4 LEU HB3 H 1 1.70 0.01 . 2 . . . . 4 LEU HB3 . 6564 1 44 . 1 1 4 4 LEU HG H 1 1.68 0.01 . 1 . . . . 4 LEU HG . 6564 1 45 . 1 1 4 4 LEU HD11 H 1 0.93 0.01 . 2 . . . . 4 LEU HD1 . 6564 1 46 . 1 1 4 4 LEU HD12 H 1 0.93 0.01 . 2 . . . . 4 LEU HD1 . 6564 1 47 . 1 1 4 4 LEU HD13 H 1 0.93 0.01 . 2 . . . . 4 LEU HD1 . 6564 1 48 . 1 1 4 4 LEU HD21 H 1 0.98 0.01 . 2 . . . . 4 LEU HD2 . 6564 1 49 . 1 1 4 4 LEU HD22 H 1 0.98 0.01 . 2 . . . . 4 LEU HD2 . 6564 1 50 . 1 1 4 4 LEU HD23 H 1 0.98 0.01 . 2 . . . . 4 LEU HD2 . 6564 1 51 . 1 1 4 4 LEU CA C 13 55.1 0.2 . 1 . . . . 4 LEU CA . 6564 1 52 . 1 1 4 4 LEU CB C 13 42.5 0.2 . 1 . . . . 4 LEU CB . 6564 1 53 . 1 1 4 4 LEU CG C 13 26.9 0.2 . 1 . . . . 4 LEU CG . 6564 1 54 . 1 1 4 4 LEU CD1 C 13 23.9 0.2 . 2 . . . . 4 LEU CD1 . 6564 1 55 . 1 1 4 4 LEU CD2 C 13 25.0 0.2 . 2 . . . . 4 LEU CD2 . 6564 1 56 . 1 1 4 4 LEU N N 15 123.7 0.2 . 1 . . . . 4 LEU N . 6564 1 57 . 1 1 5 5 VAL H H 1 8.25 0.01 . 1 . . . . 5 VAL H . 6564 1 58 . 1 1 5 5 VAL HA H 1 4.16 0.01 . 1 . . . . 5 VAL HA . 6564 1 59 . 1 1 5 5 VAL HB H 1 2.12 0.01 . 1 . . . . 5 VAL HB . 6564 1 60 . 1 1 5 5 VAL HG11 H 1 0.98 0.01 . 2 . . . . 5 VAL HG1 . 6564 1 61 . 1 1 5 5 VAL HG12 H 1 0.98 0.01 . 2 . . . . 5 VAL HG1 . 6564 1 62 . 1 1 5 5 VAL HG13 H 1 0.98 0.01 . 2 . . . . 5 VAL HG1 . 6564 1 63 . 1 1 5 5 VAL HG21 H 1 1.01 0.01 . 2 . . . . 5 VAL HG2 . 6564 1 64 . 1 1 5 5 VAL HG22 H 1 1.01 0.01 . 2 . . . . 5 VAL HG2 . 6564 1 65 . 1 1 5 5 VAL HG23 H 1 1.01 0.01 . 2 . . . . 5 VAL HG2 . 6564 1 66 . 1 1 5 5 VAL CA C 13 62.2 0.2 . 1 . . . . 5 VAL CA . 6564 1 67 . 1 1 5 5 VAL CB C 13 32.5 0.2 . 1 . . . . 5 VAL CB . 6564 1 68 . 1 1 5 5 VAL CG1 C 13 21.2 0.2 . 2 . . . . 5 VAL CG1 . 6564 1 69 . 1 1 5 5 VAL CG2 C 13 20.8 0.2 . 2 . . . . 5 VAL CG2 . 6564 1 70 . 1 1 5 5 VAL N N 15 122.4 0.2 . 1 . . . . 5 VAL N . 6564 1 71 . 1 1 6 6 ARG H H 1 8.38 0.01 . 1 . . . . 6 ARG H . 6564 1 72 . 1 1 6 6 ARG HA H 1 4.68 0.01 . 1 . . . . 6 ARG HA . 6564 1 73 . 1 1 6 6 ARG HB2 H 1 1.76 0.01 . 2 . . . . 6 ARG HB2 . 6564 1 74 . 1 1 6 6 ARG HB3 H 1 1.88 0.01 . 2 . . . . 6 ARG HB3 . 6564 1 75 . 1 1 6 6 ARG HG2 H 1 1.70 0.01 . 1 . . . . 6 ARG HG2 . 6564 1 76 . 1 1 6 6 ARG HG3 H 1 1.70 0.01 . 1 . . . . 6 ARG HG3 . 6564 1 77 . 1 1 6 6 ARG HD2 H 1 3.25 0.01 . 1 . . . . 6 ARG HD2 . 6564 1 78 . 1 1 6 6 ARG HD3 H 1 3.25 0.01 . 1 . . . . 6 ARG HD3 . 6564 1 79 . 1 1 6 6 ARG CA C 13 53.6 0.2 . 1 . . . . 6 ARG CA . 6564 1 80 . 1 1 6 6 ARG CB C 13 30.4 0.2 . 1 . . . . 6 ARG CB . 6564 1 81 . 1 1 6 6 ARG CG C 13 26.9 0.2 . 1 . . . . 6 ARG CG . 6564 1 82 . 1 1 6 6 ARG CD C 13 43.5 0.2 . 1 . . . . 6 ARG CD . 6564 1 83 . 1 1 6 6 ARG N N 15 125.9 0.2 . 1 . . . . 6 ARG N . 6564 1 84 . 1 1 7 7 PRO HA H 1 4.64 0.01 . 1 . . . . 7 PRO HA . 6564 1 85 . 1 1 7 7 PRO HB2 H 1 1.90 0.01 . 2 . . . . 7 PRO HB2 . 6564 1 86 . 1 1 7 7 PRO HB3 H 1 2.28 0.01 . 2 . . . . 7 PRO HB3 . 6564 1 87 . 1 1 7 7 PRO HG2 H 1 1.96 0.01 . 1 . . . . 7 PRO HG2 . 6564 1 88 . 1 1 7 7 PRO HG3 H 1 1.96 0.01 . 1 . . . . 7 PRO HG3 . 6564 1 89 . 1 1 7 7 PRO HD2 H 1 3.68 0.01 . 2 . . . . 7 PRO HD2 . 6564 1 90 . 1 1 7 7 PRO HD3 H 1 3.87 0.01 . 2 . . . . 7 PRO HD3 . 6564 1 91 . 1 1 7 7 PRO CA C 13 61.3 0.2 . 1 . . . . 7 PRO CA . 6564 1 92 . 1 1 7 7 PRO CB C 13 30.9 0.2 . 1 . . . . 7 PRO CB . 6564 1 93 . 1 1 7 7 PRO CG C 13 27.4 0.2 . 1 . . . . 7 PRO CG . 6564 1 94 . 1 1 7 7 PRO CD C 13 50.5 0.2 . 1 . . . . 7 PRO CD . 6564 1 95 . 1 1 8 8 PRO HA H 1 4.50 0.01 . 1 . . . . 8 PRO HA . 6564 1 96 . 1 1 8 8 PRO HB2 H 1 1.95 0.01 . 2 . . . . 8 PRO HB2 . 6564 1 97 . 1 1 8 8 PRO HB3 H 1 2.33 0.01 . 2 . . . . 8 PRO HB3 . 6564 1 98 . 1 1 8 8 PRO HG2 H 1 2.09 0.01 . 1 . . . . 8 PRO HG2 . 6564 1 99 . 1 1 8 8 PRO HG3 H 1 2.09 0.01 . 1 . . . . 8 PRO HG3 . 6564 1 100 . 1 1 8 8 PRO HD2 H 1 3.53 0.01 . 2 . . . . 8 PRO HD2 . 6564 1 101 . 1 1 8 8 PRO HD3 H 1 3.77 0.01 . 2 . . . . 8 PRO HD3 . 6564 1 102 . 1 1 8 8 PRO CA C 13 63.3 0.2 . 1 . . . . 8 PRO CA . 6564 1 103 . 1 1 8 8 PRO CB C 13 31.9 0.2 . 1 . . . . 8 PRO CB . 6564 1 104 . 1 1 8 8 PRO CG C 13 27.4 0.2 . 1 . . . . 8 PRO CG . 6564 1 105 . 1 1 8 8 PRO CD C 13 50.3 0.2 . 1 . . . . 8 PRO CD . 6564 1 106 . 1 1 9 9 VAL H H 1 7.85 0.01 . 1 . . . . 9 VAL H . 6564 1 107 . 1 1 9 9 VAL HA H 1 4.16 0.01 . 1 . . . . 9 VAL HA . 6564 1 108 . 1 1 9 9 VAL HB H 1 2.07 0.01 . 1 . . . . 9 VAL HB . 6564 1 109 . 1 1 9 9 VAL HG11 H 1 0.91 0.01 . 2 . . . . 9 VAL HG1 . 6564 1 110 . 1 1 9 9 VAL HG12 H 1 0.91 0.01 . 2 . . . . 9 VAL HG1 . 6564 1 111 . 1 1 9 9 VAL HG13 H 1 0.91 0.01 . 2 . . . . 9 VAL HG1 . 6564 1 112 . 1 1 9 9 VAL HG21 H 1 0.95 0.01 . 2 . . . . 9 VAL HG2 . 6564 1 113 . 1 1 9 9 VAL HG22 H 1 0.95 0.01 . 2 . . . . 9 VAL HG2 . 6564 1 114 . 1 1 9 9 VAL HG23 H 1 0.95 0.01 . 2 . . . . 9 VAL HG2 . 6564 1 115 . 1 1 9 9 VAL CA C 13 61.8 0.2 . 1 . . . . 9 VAL CA . 6564 1 116 . 1 1 9 9 VAL CB C 13 32.0 0.2 . 1 . . . . 9 VAL CB . 6564 1 117 . 1 1 9 9 VAL CG1 C 13 21.2 0.2 . 2 . . . . 9 VAL CG1 . 6564 1 118 . 1 1 9 9 VAL CG2 C 13 20.8 0.2 . 2 . . . . 9 VAL CG2 . 6564 1 119 . 1 1 9 9 VAL N N 15 117.8 0.2 . 1 . . . . 9 VAL N . 6564 1 120 . 1 1 10 10 GLN H H 1 8.39 0.01 . 1 . . . . 10 GLN H . 6564 1 121 . 1 1 10 10 GLN HA H 1 4.35 0.01 . 1 . . . . 10 GLN HA . 6564 1 122 . 1 1 10 10 GLN HB2 H 1 1.96 0.01 . 1 . . . . 10 GLN HB2 . 6564 1 123 . 1 1 10 10 GLN HB3 H 1 1.96 0.01 . 1 . . . . 10 GLN HB3 . 6564 1 124 . 1 1 10 10 GLN HG2 H 1 2.30 0.01 . 1 . . . . 10 GLN HG2 . 6564 1 125 . 1 1 10 10 GLN HG3 H 1 2.30 0.01 . 1 . . . . 10 GLN HG3 . 6564 1 126 . 1 1 10 10 GLN HE21 H 1 6.87 0.01 . 2 . . . . 10 GLN HE21 . 6564 1 127 . 1 1 10 10 GLN HE22 H 1 7.48 0.01 . 2 . . . . 10 GLN HE22 . 6564 1 128 . 1 1 10 10 GLN CA C 13 55.7 0.2 . 1 . . . . 10 GLN CA . 6564 1 129 . 1 1 10 10 GLN CB C 13 29.3 0.2 . 1 . . . . 10 GLN CB . 6564 1 130 . 1 1 10 10 GLN CG C 13 33.8 0.2 . 1 . . . . 10 GLN CG . 6564 1 131 . 1 1 10 10 GLN N N 15 123.9 0.2 . 1 . . . . 10 GLN N . 6564 1 132 . 1 1 10 10 GLN NE2 N 15 112.2 0.2 . 1 . . . . 10 GLN NE2 . 6564 1 133 . 1 1 11 11 ILE H H 1 8.01 0.01 . 1 . . . . 11 ILE H . 6564 1 134 . 1 1 11 11 ILE HA H 1 4.15 0.01 . 1 . . . . 11 ILE HA . 6564 1 135 . 1 1 11 11 ILE HB H 1 1.72 0.01 . 1 . . . . 11 ILE HB . 6564 1 136 . 1 1 11 11 ILE HG12 H 1 1.11 0.01 . 2 . . . . 11 ILE HG12 . 6564 1 137 . 1 1 11 11 ILE HG13 H 1 1.28 0.01 . 2 . . . . 11 ILE HG13 . 6564 1 138 . 1 1 11 11 ILE HG21 H 1 0.81 0.01 . 1 . . . . 11 ILE HG2 . 6564 1 139 . 1 1 11 11 ILE HG22 H 1 0.81 0.01 . 1 . . . . 11 ILE HG2 . 6564 1 140 . 1 1 11 11 ILE HG23 H 1 0.81 0.01 . 1 . . . . 11 ILE HG2 . 6564 1 141 . 1 1 11 11 ILE HD11 H 1 0.81 0.01 . 1 . . . . 11 ILE HD1 . 6564 1 142 . 1 1 11 11 ILE HD12 H 1 0.81 0.01 . 1 . . . . 11 ILE HD1 . 6564 1 143 . 1 1 11 11 ILE HD13 H 1 0.81 0.01 . 1 . . . . 11 ILE HD1 . 6564 1 144 . 1 1 11 11 ILE CA C 13 60.9 0.2 . 1 . . . . 11 ILE CA . 6564 1 145 . 1 1 11 11 ILE CB C 13 38.8 0.2 . 1 . . . . 11 ILE CB . 6564 1 146 . 1 1 11 11 ILE CG1 C 13 27.0 0.2 . 1 . . . . 11 ILE CG1 . 6564 1 147 . 1 1 11 11 ILE CG2 C 13 17.5 0.2 . 1 . . . . 11 ILE CG2 . 6564 1 148 . 1 1 11 11 ILE CD1 C 13 13.1 0.2 . 1 . . . . 11 ILE CD1 . 6564 1 149 . 1 1 11 11 ILE N N 15 122.3 0.2 . 1 . . . . 11 ILE N . 6564 1 150 . 1 1 12 12 TYR H H 1 8.36 0.01 . 1 . . . . 12 TYR H . 6564 1 151 . 1 1 12 12 TYR HA H 1 4.74 0.01 . 1 . . . . 12 TYR HA . 6564 1 152 . 1 1 12 12 TYR HB2 H 1 2.92 0.01 . 2 . . . . 12 TYR HB2 . 6564 1 153 . 1 1 12 12 TYR HB3 H 1 3.24 0.01 . 2 . . . . 12 TYR HB3 . 6564 1 154 . 1 1 12 12 TYR HD1 H 1 7.19 0.01 . 1 . . . . 12 TYR HD1 . 6564 1 155 . 1 1 12 12 TYR HD2 H 1 7.19 0.01 . 1 . . . . 12 TYR HD2 . 6564 1 156 . 1 1 12 12 TYR HE1 H 1 6.85 0.01 . 1 . . . . 12 TYR HE1 . 6564 1 157 . 1 1 12 12 TYR HE2 H 1 6.85 0.01 . 1 . . . . 12 TYR HE2 . 6564 1 158 . 1 1 12 12 TYR CA C 13 57.9 0.2 . 1 . . . . 12 TYR CA . 6564 1 159 . 1 1 12 12 TYR CB C 13 39.1 0.2 . 1 . . . . 12 TYR CB . 6564 1 160 . 1 1 12 12 TYR CD1 C 13 133.1 0.2 . 1 . . . . 12 TYR CD1 . 6564 1 161 . 1 1 12 12 TYR CD2 C 13 133.1 0.2 . 1 . . . . 12 TYR CD2 . 6564 1 162 . 1 1 12 12 TYR CE1 C 13 118.2 0.2 . 1 . . . . 12 TYR CE1 . 6564 1 163 . 1 1 12 12 TYR CE2 C 13 118.2 0.2 . 1 . . . . 12 TYR CE2 . 6564 1 164 . 1 1 12 12 TYR N N 15 123.7 0.2 . 1 . . . . 12 TYR N . 6564 1 165 . 1 1 13 13 GLY H H 1 8.29 0.01 . 1 . . . . 13 GLY H . 6564 1 166 . 1 1 13 13 GLY HA2 H 1 4.03 0.01 . 1 . . . . 13 GLY HA2 . 6564 1 167 . 1 1 13 13 GLY HA3 H 1 4.24 0.01 . 1 . . . . 13 GLY HA3 . 6564 1 168 . 1 1 13 13 GLY CA C 13 45.3 0.2 . 1 . . . . 13 GLY CA . 6564 1 169 . 1 1 13 13 GLY N N 15 109.3 0.2 . 1 . . . . 13 GLY N . 6564 1 170 . 1 1 14 14 ILE H H 1 8.64 0.01 . 1 . . . . 14 ILE H . 6564 1 171 . 1 1 14 14 ILE HA H 1 3.79 0.01 . 1 . . . . 14 ILE HA . 6564 1 172 . 1 1 14 14 ILE HB H 1 1.84 0.01 . 1 . . . . 14 ILE HB . 6564 1 173 . 1 1 14 14 ILE HG12 H 1 1.20 0.01 . 2 . . . . 14 ILE HG12 . 6564 1 174 . 1 1 14 14 ILE HG13 H 1 1.48 0.01 . 2 . . . . 14 ILE HG13 . 6564 1 175 . 1 1 14 14 ILE HG21 H 1 0.86 0.01 . 1 . . . . 14 ILE HG2 . 6564 1 176 . 1 1 14 14 ILE HG22 H 1 0.86 0.01 . 1 . . . . 14 ILE HG2 . 6564 1 177 . 1 1 14 14 ILE HG23 H 1 0.86 0.01 . 1 . . . . 14 ILE HG2 . 6564 1 178 . 1 1 14 14 ILE HD11 H 1 0.91 0.01 . 1 . . . . 14 ILE HD1 . 6564 1 179 . 1 1 14 14 ILE HD12 H 1 0.91 0.01 . 1 . . . . 14 ILE HD1 . 6564 1 180 . 1 1 14 14 ILE HD13 H 1 0.91 0.01 . 1 . . . . 14 ILE HD1 . 6564 1 181 . 1 1 14 14 ILE CA C 13 64.0 0.2 . 1 . . . . 14 ILE CA . 6564 1 182 . 1 1 14 14 ILE CB C 13 38.0 0.2 . 1 . . . . 14 ILE CB . 6564 1 183 . 1 1 14 14 ILE CG1 C 13 28.8 0.2 . 1 . . . . 14 ILE CG1 . 6564 1 184 . 1 1 14 14 ILE CG2 C 13 17.5 0.2 . 1 . . . . 14 ILE CG2 . 6564 1 185 . 1 1 14 14 ILE CD1 C 13 13.3 0.2 . 1 . . . . 14 ILE CD1 . 6564 1 186 . 1 1 14 14 ILE N N 15 122.8 0.2 . 1 . . . . 14 ILE N . 6564 1 187 . 1 1 15 15 GLU H H 1 9.47 0.01 . 1 . . . . 15 GLU H . 6564 1 188 . 1 1 15 15 GLU HA H 1 4.02 0.01 . 1 . . . . 15 GLU HA . 6564 1 189 . 1 1 15 15 GLU HG2 H 1 2.15 0.01 . 2 . . . . 15 GLU HG2 . 6564 1 190 . 1 1 15 15 GLU HG3 H 1 2.75 0.01 . 2 . . . . 15 GLU HG3 . 6564 1 191 . 1 1 15 15 GLU CA C 13 61.2 0.2 . 1 . . . . 15 GLU CA . 6564 1 192 . 1 1 15 15 GLU CG C 13 38.3 0.2 . 1 . . . . 15 GLU CG . 6564 1 193 . 1 1 15 15 GLU N N 15 120.5 0.2 . 1 . . . . 15 GLU N . 6564 1 194 . 1 1 16 16 GLY H H 1 7.94 0.01 . 1 . . . . 16 GLY H . 6564 1 195 . 1 1 16 16 GLY HA2 H 1 3.68 0.01 . 2 . . . . 16 GLY HA2 . 6564 1 196 . 1 1 16 16 GLY HA3 H 1 3.93 0.01 . 2 . . . . 16 GLY HA3 . 6564 1 197 . 1 1 16 16 GLY CA C 13 47.2 0.2 . 1 . . . . 16 GLY CA . 6564 1 198 . 1 1 16 16 GLY N N 15 107.0 0.2 . 1 . . . . 16 GLY N . 6564 1 199 . 1 1 17 17 ARG H H 1 8.15 0.01 . 1 . . . . 17 ARG H . 6564 1 200 . 1 1 17 17 ARG HA H 1 4.21 0.01 . 1 . . . . 17 ARG HA . 6564 1 201 . 1 1 17 17 ARG HB2 H 1 1.91 0.01 . 2 . . . . 17 ARG HB2 . 6564 1 202 . 1 1 17 17 ARG HB3 H 1 2.00 0.01 . 2 . . . . 17 ARG HB3 . 6564 1 203 . 1 1 17 17 ARG HG2 H 1 1.60 0.01 . 2 . . . . 17 ARG HG2 . 6564 1 204 . 1 1 17 17 ARG HG3 H 1 1.76 0.01 . 2 . . . . 17 ARG HG3 . 6564 1 205 . 1 1 17 17 ARG HD2 H 1 3.15 0.01 . 2 . . . . 17 ARG HD2 . 6564 1 206 . 1 1 17 17 ARG HD3 H 1 3.21 0.01 . 2 . . . . 17 ARG HD3 . 6564 1 207 . 1 1 17 17 ARG CA C 13 59.6 0.2 . 1 . . . . 17 ARG CA . 6564 1 208 . 1 1 17 17 ARG CB C 13 29.6 0.2 . 1 . . . . 17 ARG CB . 6564 1 209 . 1 1 17 17 ARG CG C 13 27.3 0.2 . 1 . . . . 17 ARG CG . 6564 1 210 . 1 1 17 17 ARG CD C 13 43.7 0.2 . 1 . . . . 17 ARG CD . 6564 1 211 . 1 1 17 17 ARG N N 15 124.0 0.2 . 1 . . . . 17 ARG N . 6564 1 212 . 1 1 18 18 TYR H H 1 8.15 0.01 . 1 . . . . 18 TYR H . 6564 1 213 . 1 1 18 18 TYR HA H 1 4.44 0.01 . 1 . . . . 18 TYR HA . 6564 1 214 . 1 1 18 18 TYR HB2 H 1 3.03 0.01 . 2 . . . . 18 TYR HB2 . 6564 1 215 . 1 1 18 18 TYR HB3 H 1 3.19 0.01 . 2 . . . . 18 TYR HB3 . 6564 1 216 . 1 1 18 18 TYR HD1 H 1 7.10 0.01 . 1 . . . . 18 TYR HD1 . 6564 1 217 . 1 1 18 18 TYR HD2 H 1 7.10 0.01 . 1 . . . . 18 TYR HD2 . 6564 1 218 . 1 1 18 18 TYR HE1 H 1 6.68 0.01 . 1 . . . . 18 TYR HE1 . 6564 1 219 . 1 1 18 18 TYR HE2 H 1 6.68 0.01 . 1 . . . . 18 TYR HE2 . 6564 1 220 . 1 1 18 18 TYR CA C 13 60.5 0.2 . 1 . . . . 18 TYR CA . 6564 1 221 . 1 1 18 18 TYR CB C 13 37.9 0.2 . 1 . . . . 18 TYR CB . 6564 1 222 . 1 1 18 18 TYR CD1 C 13 131.9 0.2 . 1 . . . . 18 TYR CD1 . 6564 1 223 . 1 1 18 18 TYR CD2 C 13 131.9 0.2 . 1 . . . . 18 TYR CD2 . 6564 1 224 . 1 1 18 18 TYR CE1 C 13 118.3 0.2 . 1 . . . . 18 TYR CE1 . 6564 1 225 . 1 1 18 18 TYR CE2 C 13 118.3 0.2 . 1 . . . . 18 TYR CE2 . 6564 1 226 . 1 1 18 18 TYR N N 15 119.0 0.2 . 1 . . . . 18 TYR N . 6564 1 227 . 1 1 19 19 ALA H H 1 8.45 0.01 . 1 . . . . 19 ALA H . 6564 1 228 . 1 1 19 19 ALA HA H 1 4.21 0.01 . 1 . . . . 19 ALA HA . 6564 1 229 . 1 1 19 19 ALA HB1 H 1 1.80 0.01 . 1 . . . . 19 ALA HB . 6564 1 230 . 1 1 19 19 ALA HB2 H 1 1.80 0.01 . 1 . . . . 19 ALA HB . 6564 1 231 . 1 1 19 19 ALA HB3 H 1 1.80 0.01 . 1 . . . . 19 ALA HB . 6564 1 232 . 1 1 19 19 ALA CA C 13 55.9 0.2 . 1 . . . . 19 ALA CA . 6564 1 233 . 1 1 19 19 ALA CB C 13 19.1 0.2 . 1 . . . . 19 ALA CB . 6564 1 234 . 1 1 19 19 ALA N N 15 120.7 0.2 . 1 . . . . 19 ALA N . 6564 1 235 . 1 1 20 20 THR H H 1 8.53 0.01 . 1 . . . . 20 THR H . 6564 1 236 . 1 1 20 20 THR HA H 1 3.92 0.01 . 1 . . . . 20 THR HA . 6564 1 237 . 1 1 20 20 THR HB H 1 4.37 0.01 . 1 . . . . 20 THR HB . 6564 1 238 . 1 1 20 20 THR HG21 H 1 1.36 0.01 . 1 . . . . 20 THR HG2 . 6564 1 239 . 1 1 20 20 THR HG22 H 1 1.36 0.01 . 1 . . . . 20 THR HG2 . 6564 1 240 . 1 1 20 20 THR HG23 H 1 1.36 0.01 . 1 . . . . 20 THR HG2 . 6564 1 241 . 1 1 20 20 THR CA C 13 67.3 0.2 . 1 . . . . 20 THR CA . 6564 1 242 . 1 1 20 20 THR CB C 13 68.6 0.2 . 1 . . . . 20 THR CB . 6564 1 243 . 1 1 20 20 THR CG2 C 13 21.7 0.2 . 1 . . . . 20 THR CG2 . 6564 1 244 . 1 1 20 20 THR N N 15 114.9 0.2 . 1 . . . . 20 THR N . 6564 1 245 . 1 1 21 21 ALA H H 1 7.90 0.01 . 1 . . . . 21 ALA H . 6564 1 246 . 1 1 21 21 ALA HA H 1 4.31 0.01 . 1 . . . . 21 ALA HA . 6564 1 247 . 1 1 21 21 ALA HB1 H 1 1.62 0.01 . 1 . . . . 21 ALA HB . 6564 1 248 . 1 1 21 21 ALA HB2 H 1 1.62 0.01 . 1 . . . . 21 ALA HB . 6564 1 249 . 1 1 21 21 ALA HB3 H 1 1.62 0.01 . 1 . . . . 21 ALA HB . 6564 1 250 . 1 1 21 21 ALA CA C 13 55.3 0.2 . 1 . . . . 21 ALA CA . 6564 1 251 . 1 1 21 21 ALA CB C 13 18.1 0.2 . 1 . . . . 21 ALA CB . 6564 1 252 . 1 1 21 21 ALA N N 15 125.1 0.2 . 1 . . . . 21 ALA N . 6564 1 253 . 1 1 22 22 LEU H H 1 7.98 0.01 . 1 . . . . 22 LEU H . 6564 1 254 . 1 1 22 22 LEU HA H 1 4.39 0.01 . 1 . . . . 22 LEU HA . 6564 1 255 . 1 1 22 22 LEU HB2 H 1 1.60 0.01 . 2 . . . . 22 LEU HB2 . 6564 1 256 . 1 1 22 22 LEU HB3 H 1 2.13 0.01 . 2 . . . . 22 LEU HB3 . 6564 1 257 . 1 1 22 22 LEU HG H 1 1.47 0.01 . 1 . . . . 22 LEU HG . 6564 1 258 . 1 1 22 22 LEU HD11 H 1 0.47 0.01 . 2 . . . . 22 LEU HD1 . 6564 1 259 . 1 1 22 22 LEU HD12 H 1 0.47 0.01 . 2 . . . . 22 LEU HD1 . 6564 1 260 . 1 1 22 22 LEU HD13 H 1 0.47 0.01 . 2 . . . . 22 LEU HD1 . 6564 1 261 . 1 1 22 22 LEU HD21 H 1 0.87 0.01 . 2 . . . . 22 LEU HD2 . 6564 1 262 . 1 1 22 22 LEU HD22 H 1 0.87 0.01 . 2 . . . . 22 LEU HD2 . 6564 1 263 . 1 1 22 22 LEU HD23 H 1 0.87 0.01 . 2 . . . . 22 LEU HD2 . 6564 1 264 . 1 1 22 22 LEU CA C 13 57.8 0.2 . 1 . . . . 22 LEU CA . 6564 1 265 . 1 1 22 22 LEU CB C 13 42.2 0.2 . 1 . . . . 22 LEU CB . 6564 1 266 . 1 1 22 22 LEU CG C 13 26.7 0.2 . 1 . . . . 22 LEU CG . 6564 1 267 . 1 1 22 22 LEU CD1 C 13 26.8 0.2 . 2 . . . . 22 LEU CD1 . 6564 1 268 . 1 1 22 22 LEU CD2 C 13 23.6 0.2 . 2 . . . . 22 LEU CD2 . 6564 1 269 . 1 1 22 22 LEU N N 15 120.9 0.2 . 1 . . . . 22 LEU N . 6564 1 270 . 1 1 23 23 TYR H H 1 9.05 0.01 . 1 . . . . 23 TYR H . 6564 1 271 . 1 1 23 23 TYR HA H 1 4.02 0.01 . 1 . . . . 23 TYR HA . 6564 1 272 . 1 1 23 23 TYR HB2 H 1 3.16 0.01 . 2 . . . . 23 TYR HB2 . 6564 1 273 . 1 1 23 23 TYR HB3 H 1 3.31 0.01 . 2 . . . . 23 TYR HB3 . 6564 1 274 . 1 1 23 23 TYR HD1 H 1 6.63 0.01 . 1 . . . . 23 TYR HD1 . 6564 1 275 . 1 1 23 23 TYR HD2 H 1 6.63 0.01 . 1 . . . . 23 TYR HD2 . 6564 1 276 . 1 1 23 23 TYR HE1 H 1 6.56 0.01 . 1 . . . . 23 TYR HE1 . 6564 1 277 . 1 1 23 23 TYR HE2 H 1 6.56 0.01 . 1 . . . . 23 TYR HE2 . 6564 1 278 . 1 1 23 23 TYR CA C 13 62.8 0.2 . 1 . . . . 23 TYR CA . 6564 1 279 . 1 1 23 23 TYR CB C 13 39.0 0.2 . 1 . . . . 23 TYR CB . 6564 1 280 . 1 1 23 23 TYR CD1 C 13 133.2 0.2 . 1 . . . . 23 TYR CD1 . 6564 1 281 . 1 1 23 23 TYR CD2 C 13 133.2 0.2 . 1 . . . . 23 TYR CD2 . 6564 1 282 . 1 1 23 23 TYR CE1 C 13 118.3 0.2 . 1 . . . . 23 TYR CE1 . 6564 1 283 . 1 1 23 23 TYR CE2 C 13 118.3 0.2 . 1 . . . . 23 TYR CE2 . 6564 1 284 . 1 1 23 23 TYR N N 15 120.4 0.2 . 1 . . . . 23 TYR N . 6564 1 285 . 1 1 24 24 SER H H 1 8.73 0.01 . 1 . . . . 24 SER H . 6564 1 286 . 1 1 24 24 SER HA H 1 4.24 0.01 . 1 . . . . 24 SER HA . 6564 1 287 . 1 1 24 24 SER HB2 H 1 4.14 0.01 . 1 . . . . 24 SER HB2 . 6564 1 288 . 1 1 24 24 SER HB3 H 1 4.14 0.01 . 1 . . . . 24 SER HB3 . 6564 1 289 . 1 1 24 24 SER CA C 13 62.1 0.2 . 1 . . . . 24 SER CA . 6564 1 290 . 1 1 24 24 SER CB C 13 63.0 0.2 . 1 . . . . 24 SER CB . 6564 1 291 . 1 1 24 24 SER N N 15 115.1 0.2 . 1 . . . . 24 SER N . 6564 1 292 . 1 1 25 25 ALA H H 1 8.02 0.01 . 1 . . . . 25 ALA H . 6564 1 293 . 1 1 25 25 ALA HA H 1 4.25 0.01 . 1 . . . . 25 ALA HA . 6564 1 294 . 1 1 25 25 ALA HB1 H 1 1.57 0.01 . 1 . . . . 25 ALA HB . 6564 1 295 . 1 1 25 25 ALA HB2 H 1 1.57 0.01 . 1 . . . . 25 ALA HB . 6564 1 296 . 1 1 25 25 ALA HB3 H 1 1.57 0.01 . 1 . . . . 25 ALA HB . 6564 1 297 . 1 1 25 25 ALA CA C 13 55.2 0.2 . 1 . . . . 25 ALA CA . 6564 1 298 . 1 1 25 25 ALA CB C 13 19.0 0.2 . 1 . . . . 25 ALA CB . 6564 1 299 . 1 1 25 25 ALA N N 15 122.9 0.2 . 1 . . . . 25 ALA N . 6564 1 300 . 1 1 26 26 ALA H H 1 9.18 0.01 . 1 . . . . 26 ALA H . 6564 1 301 . 1 1 26 26 ALA HA H 1 3.88 0.01 . 1 . . . . 26 ALA HA . 6564 1 302 . 1 1 26 26 ALA HB1 H 1 1.34 0.01 . 1 . . . . 26 ALA HB . 6564 1 303 . 1 1 26 26 ALA HB2 H 1 1.34 0.01 . 1 . . . . 26 ALA HB . 6564 1 304 . 1 1 26 26 ALA HB3 H 1 1.34 0.01 . 1 . . . . 26 ALA HB . 6564 1 305 . 1 1 26 26 ALA CA C 13 54.8 0.2 . 1 . . . . 26 ALA CA . 6564 1 306 . 1 1 26 26 ALA CB C 13 18.3 0.2 . 1 . . . . 26 ALA CB . 6564 1 307 . 1 1 26 26 ALA N N 15 119.2 0.2 . 1 . . . . 26 ALA N . 6564 1 308 . 1 1 27 27 SER H H 1 8.78 0.01 . 1 . . . . 27 SER H . 6564 1 309 . 1 1 27 27 SER HA H 1 4.06 0.01 . 1 . . . . 27 SER HA . 6564 1 310 . 1 1 27 27 SER HB2 H 1 3.87 0.01 . 1 . . . . 27 SER HB2 . 6564 1 311 . 1 1 27 27 SER HB3 H 1 3.87 0.01 . 1 . . . . 27 SER HB3 . 6564 1 312 . 1 1 27 27 SER CA C 13 61.8 0.2 . 1 . . . . 27 SER CA . 6564 1 313 . 1 1 27 27 SER CB C 13 62.7 0.2 . 1 . . . . 27 SER CB . 6564 1 314 . 1 1 27 27 SER N N 15 115.3 0.2 . 1 . . . . 27 SER N . 6564 1 315 . 1 1 28 28 LYS H H 1 7.62 0.01 . 1 . . . . 28 LYS H . 6564 1 316 . 1 1 28 28 LYS HA H 1 4.19 0.01 . 1 . . . . 28 LYS HA . 6564 1 317 . 1 1 28 28 LYS HB2 H 1 2.08 0.01 . 1 . . . . 28 LYS HB2 . 6564 1 318 . 1 1 28 28 LYS HB3 H 1 2.08 0.01 . 1 . . . . 28 LYS HB3 . 6564 1 319 . 1 1 28 28 LYS HG2 H 1 1.63 0.01 . 1 . . . . 28 LYS HG2 . 6564 1 320 . 1 1 28 28 LYS HG3 H 1 1.63 0.01 . 1 . . . . 28 LYS HG3 . 6564 1 321 . 1 1 28 28 LYS HD2 H 1 1.78 0.01 . 1 . . . . 28 LYS HD2 . 6564 1 322 . 1 1 28 28 LYS HD3 H 1 1.78 0.01 . 1 . . . . 28 LYS HD3 . 6564 1 323 . 1 1 28 28 LYS HE2 H 1 3.07 0.01 . 1 . . . . 28 LYS HE2 . 6564 1 324 . 1 1 28 28 LYS HE3 H 1 3.07 0.01 . 1 . . . . 28 LYS HE3 . 6564 1 325 . 1 1 28 28 LYS CA C 13 59.2 0.2 . 1 . . . . 28 LYS CA . 6564 1 326 . 1 1 28 28 LYS CB C 13 32.4 0.2 . 1 . . . . 28 LYS CB . 6564 1 327 . 1 1 28 28 LYS CG C 13 25.4 0.2 . 1 . . . . 28 LYS CG . 6564 1 328 . 1 1 28 28 LYS CD C 13 29.3 0.2 . 1 . . . . 28 LYS CD . 6564 1 329 . 1 1 28 28 LYS CE C 13 42.2 0.2 . 1 . . . . 28 LYS CE . 6564 1 330 . 1 1 28 28 LYS N N 15 121.6 0.2 . 1 . . . . 28 LYS N . 6564 1 331 . 1 1 29 29 GLN H H 1 7.25 0.01 . 1 . . . . 29 GLN H . 6564 1 332 . 1 1 29 29 GLN HA H 1 4.50 0.01 . 1 . . . . 29 GLN HA . 6564 1 333 . 1 1 29 29 GLN HB2 H 1 1.69 0.01 . 2 . . . . 29 GLN HB2 . 6564 1 334 . 1 1 29 29 GLN HB3 H 1 2.52 0.01 . 2 . . . . 29 GLN HB3 . 6564 1 335 . 1 1 29 29 GLN HG2 H 1 2.47 0.01 . 2 . . . . 29 GLN HG2 . 6564 1 336 . 1 1 29 29 GLN HG3 H 1 2.60 0.01 . 2 . . . . 29 GLN HG3 . 6564 1 337 . 1 1 29 29 GLN HE21 H 1 6.87 0.01 . 2 . . . . 29 GLN HE21 . 6564 1 338 . 1 1 29 29 GLN HE22 H 1 7.52 0.01 . 2 . . . . 29 GLN HE22 . 6564 1 339 . 1 1 29 29 GLN CA C 13 55.4 0.2 . 1 . . . . 29 GLN CA . 6564 1 340 . 1 1 29 29 GLN CB C 13 29.7 0.2 . 1 . . . . 29 GLN CB . 6564 1 341 . 1 1 29 29 GLN CG C 13 34.2 0.2 . 1 . . . . 29 GLN CG . 6564 1 342 . 1 1 29 29 GLN N N 15 113.7 0.2 . 1 . . . . 29 GLN N . 6564 1 343 . 1 1 29 29 GLN NE2 N 15 111.3 0.2 . 1 . . . . 29 GLN NE2 . 6564 1 344 . 1 1 30 30 ASN H H 1 7.99 0.01 . 1 . . . . 30 ASN H . 6564 1 345 . 1 1 30 30 ASN HA H 1 4.71 0.01 . 1 . . . . 30 ASN HA . 6564 1 346 . 1 1 30 30 ASN HB2 H 1 2.93 0.01 . 2 . . . . 30 ASN HB2 . 6564 1 347 . 1 1 30 30 ASN HB3 H 1 3.34 0.01 . 2 . . . . 30 ASN HB3 . 6564 1 348 . 1 1 30 30 ASN HD21 H 1 6.98 0.01 . 2 . . . . 30 ASN HD21 . 6564 1 349 . 1 1 30 30 ASN HD22 H 1 7.68 0.01 . 2 . . . . 30 ASN HD22 . 6564 1 350 . 1 1 30 30 ASN CA C 13 54.6 0.2 . 1 . . . . 30 ASN CA . 6564 1 351 . 1 1 30 30 ASN CB C 13 37.1 0.2 . 1 . . . . 30 ASN CB . 6564 1 352 . 1 1 30 30 ASN N N 15 116.8 0.2 . 1 . . . . 30 ASN N . 6564 1 353 . 1 1 30 30 ASN ND2 N 15 112.4 0.2 . 1 . . . . 30 ASN ND2 . 6564 1 354 . 1 1 31 31 LYS H H 1 8.40 0.01 . 1 . . . . 31 LYS H . 6564 1 355 . 1 1 31 31 LYS HA H 1 5.11 0.01 . 1 . . . . 31 LYS HA . 6564 1 356 . 1 1 31 31 LYS HB2 H 1 1.29 0.01 . 2 . . . . 31 LYS HB2 . 6564 1 357 . 1 1 31 31 LYS HB3 H 1 2.41 0.01 . 2 . . . . 31 LYS HB3 . 6564 1 358 . 1 1 31 31 LYS HG2 H 1 1.48 0.01 . 2 . . . . 31 LYS HG2 . 6564 1 359 . 1 1 31 31 LYS HG3 H 1 1.60 0.01 . 2 . . . . 31 LYS HG3 . 6564 1 360 . 1 1 31 31 LYS HD2 H 1 1.69 0.01 . 2 . . . . 31 LYS HD2 . 6564 1 361 . 1 1 31 31 LYS HD3 H 1 1.82 0.01 . 2 . . . . 31 LYS HD3 . 6564 1 362 . 1 1 31 31 LYS HE2 H 1 3.17 0.01 . 1 . . . . 31 LYS HE2 . 6564 1 363 . 1 1 31 31 LYS HE3 H 1 3.17 0.01 . 1 . . . . 31 LYS HE3 . 6564 1 364 . 1 1 31 31 LYS CA C 13 54.8 0.2 . 1 . . . . 31 LYS CA . 6564 1 365 . 1 1 31 31 LYS CB C 13 34.8 0.2 . 1 . . . . 31 LYS CB . 6564 1 366 . 1 1 31 31 LYS CG C 13 25.0 0.2 . 1 . . . . 31 LYS CG . 6564 1 367 . 1 1 31 31 LYS CD C 13 29.0 0.2 . 1 . . . . 31 LYS CD . 6564 1 368 . 1 1 31 31 LYS CE C 13 42.7 0.2 . 1 . . . . 31 LYS CE . 6564 1 369 . 1 1 31 31 LYS N N 15 115.9 0.2 . 1 . . . . 31 LYS N . 6564 1 370 . 1 1 32 32 LEU H H 1 8.24 0.01 . 1 . . . . 32 LEU H . 6564 1 371 . 1 1 32 32 LEU HA H 1 3.79 0.01 . 1 . . . . 32 LEU HA . 6564 1 372 . 1 1 32 32 LEU HB2 H 1 1.51 0.01 . 2 . . . . 32 LEU HB2 . 6564 1 373 . 1 1 32 32 LEU HB3 H 1 1.74 0.01 . 2 . . . . 32 LEU HB3 . 6564 1 374 . 1 1 32 32 LEU HG H 1 1.23 0.01 . 1 . . . . 32 LEU HG . 6564 1 375 . 1 1 32 32 LEU HD11 H 1 0.49 0.01 . 2 . . . . 32 LEU HD1 . 6564 1 376 . 1 1 32 32 LEU HD12 H 1 0.49 0.01 . 2 . . . . 32 LEU HD1 . 6564 1 377 . 1 1 32 32 LEU HD13 H 1 0.49 0.01 . 2 . . . . 32 LEU HD1 . 6564 1 378 . 1 1 32 32 LEU HD21 H 1 0.54 0.01 . 2 . . . . 32 LEU HD2 . 6564 1 379 . 1 1 32 32 LEU HD22 H 1 0.54 0.01 . 2 . . . . 32 LEU HD2 . 6564 1 380 . 1 1 32 32 LEU HD23 H 1 0.54 0.01 . 2 . . . . 32 LEU HD2 . 6564 1 381 . 1 1 32 32 LEU CA C 13 59.8 0.2 . 1 . . . . 32 LEU CA . 6564 1 382 . 1 1 32 32 LEU CB C 13 41.7 0.2 . 1 . . . . 32 LEU CB . 6564 1 383 . 1 1 32 32 LEU CG C 13 27.0 0.2 . 1 . . . . 32 LEU CG . 6564 1 384 . 1 1 32 32 LEU CD1 C 13 25.0 0.2 . 2 . . . . 32 LEU CD1 . 6564 1 385 . 1 1 32 32 LEU CD2 C 13 23.9 0.2 . 2 . . . . 32 LEU CD2 . 6564 1 386 . 1 1 32 32 LEU N N 15 121.0 0.2 . 1 . . . . 32 LEU N . 6564 1 387 . 1 1 33 33 GLU H H 1 8.62 0.01 . 1 . . . . 33 GLU H . 6564 1 388 . 1 1 33 33 GLU HA H 1 4.11 0.01 . 1 . . . . 33 GLU HA . 6564 1 389 . 1 1 33 33 GLU HB2 H 1 2.09 0.01 . 2 . . . . 33 GLU HB2 . 6564 1 390 . 1 1 33 33 GLU HB3 H 1 2.16 0.01 . 2 . . . . 33 GLU HB3 . 6564 1 391 . 1 1 33 33 GLU HG2 H 1 2.38 0.01 . 2 . . . . 33 GLU HG2 . 6564 1 392 . 1 1 33 33 GLU HG3 H 1 2.46 0.01 . 2 . . . . 33 GLU HG3 . 6564 1 393 . 1 1 33 33 GLU CA C 13 60.4 0.2 . 1 . . . . 33 GLU CA . 6564 1 394 . 1 1 33 33 GLU CB C 13 28.7 0.2 . 1 . . . . 33 GLU CB . 6564 1 395 . 1 1 33 33 GLU CG C 13 37.7 0.2 . 1 . . . . 33 GLU CG . 6564 1 396 . 1 1 33 33 GLU N N 15 115.4 0.2 . 1 . . . . 33 GLU N . 6564 1 397 . 1 1 34 34 GLN H H 1 7.98 0.01 . 1 . . . . 34 GLN H . 6564 1 398 . 1 1 34 34 GLN HA H 1 4.14 0.01 . 1 . . . . 34 GLN HA . 6564 1 399 . 1 1 34 34 GLN HB2 H 1 2.04 0.01 . 2 . . . . 34 GLN HB2 . 6564 1 400 . 1 1 34 34 GLN HB3 H 1 2.31 0.01 . 2 . . . . 34 GLN HB3 . 6564 1 401 . 1 1 34 34 GLN HG2 H 1 2.32 0.01 . 2 . . . . 34 GLN HG2 . 6564 1 402 . 1 1 34 34 GLN HG3 H 1 2.55 0.01 . 2 . . . . 34 GLN HG3 . 6564 1 403 . 1 1 34 34 GLN HE21 H 1 7.14 0.01 . 2 . . . . 34 GLN HE21 . 6564 1 404 . 1 1 34 34 GLN HE22 H 1 7.86 0.01 . 2 . . . . 34 GLN HE22 . 6564 1 405 . 1 1 34 34 GLN CA C 13 59.2 0.2 . 1 . . . . 34 GLN CA . 6564 1 406 . 1 1 34 34 GLN CB C 13 28.3 0.2 . 1 . . . . 34 GLN CB . 6564 1 407 . 1 1 34 34 GLN CG C 13 33.3 0.2 . 1 . . . . 34 GLN CG . 6564 1 408 . 1 1 34 34 GLN N N 15 120.5 0.2 . 1 . . . . 34 GLN N . 6564 1 409 . 1 1 34 34 GLN NE2 N 15 111.9 0.2 . 1 . . . . 34 GLN NE2 . 6564 1 410 . 1 1 35 35 VAL H H 1 8.63 0.01 . 1 . . . . 35 VAL H . 6564 1 411 . 1 1 35 35 VAL HA H 1 3.65 0.01 . 1 . . . . 35 VAL HA . 6564 1 412 . 1 1 35 35 VAL HB H 1 2.02 0.01 . 1 . . . . 35 VAL HB . 6564 1 413 . 1 1 35 35 VAL HG11 H 1 0.52 0.01 . 2 . . . . 35 VAL HG1 . 6564 1 414 . 1 1 35 35 VAL HG12 H 1 0.52 0.01 . 2 . . . . 35 VAL HG1 . 6564 1 415 . 1 1 35 35 VAL HG13 H 1 0.52 0.01 . 2 . . . . 35 VAL HG1 . 6564 1 416 . 1 1 35 35 VAL HG21 H 1 0.99 0.01 . 2 . . . . 35 VAL HG2 . 6564 1 417 . 1 1 35 35 VAL HG22 H 1 0.99 0.01 . 2 . . . . 35 VAL HG2 . 6564 1 418 . 1 1 35 35 VAL HG23 H 1 0.99 0.01 . 2 . . . . 35 VAL HG2 . 6564 1 419 . 1 1 35 35 VAL CA C 13 66.4 0.2 . 1 . . . . 35 VAL CA . 6564 1 420 . 1 1 35 35 VAL CB C 13 31.3 0.2 . 1 . . . . 35 VAL CB . 6564 1 421 . 1 1 35 35 VAL CG1 C 13 22.0 0.2 . 2 . . . . 35 VAL CG1 . 6564 1 422 . 1 1 35 35 VAL CG2 C 13 24.1 0.2 . 2 . . . . 35 VAL CG2 . 6564 1 423 . 1 1 35 35 VAL N N 15 119.1 0.2 . 1 . . . . 35 VAL N . 6564 1 424 . 1 1 36 36 GLU H H 1 8.63 0.01 . 1 . . . . 36 GLU H . 6564 1 425 . 1 1 36 36 GLU HA H 1 3.89 0.01 . 1 . . . . 36 GLU HA . 6564 1 426 . 1 1 36 36 GLU HB2 H 1 2.37 0.01 . 2 . . . . 36 GLU HB2 . 6564 1 427 . 1 1 36 36 GLU HB3 H 1 2.51 0.01 . 2 . . . . 36 GLU HB3 . 6564 1 428 . 1 1 36 36 GLU HG2 H 1 1.92 0.01 . 2 . . . . 36 GLU HG2 . 6564 1 429 . 1 1 36 36 GLU HG3 H 1 2.10 0.01 . 2 . . . . 36 GLU HG3 . 6564 1 430 . 1 1 36 36 GLU CA C 13 60.6 0.2 . 1 . . . . 36 GLU CA . 6564 1 431 . 1 1 36 36 GLU CB C 13 30.1 0.2 . 1 . . . . 36 GLU CB . 6564 1 432 . 1 1 36 36 GLU N N 15 120.1 0.2 . 1 . . . . 36 GLU N . 6564 1 433 . 1 1 37 37 LYS H H 1 7.57 0.01 . 1 . . . . 37 LYS H . 6564 1 434 . 1 1 37 37 LYS HA H 1 4.05 0.01 . 1 . . . . 37 LYS HA . 6564 1 435 . 1 1 37 37 LYS HB2 H 1 2.05 0.01 . 1 . . . . 37 LYS HB2 . 6564 1 436 . 1 1 37 37 LYS CA C 13 59.8 0.2 . 1 . . . . 37 LYS CA . 6564 1 437 . 1 1 37 37 LYS N N 15 116.3 0.2 . 1 . . . . 37 LYS N . 6564 1 438 . 1 1 38 38 GLU H H 1 8.28 0.01 . 1 . . . . 38 GLU H . 6564 1 439 . 1 1 38 38 GLU HA H 1 4.07 0.01 . 1 . . . . 38 GLU HA . 6564 1 440 . 1 1 38 38 GLU HB2 H 1 2.32 0.01 . 1 . . . . 38 GLU HB2 . 6564 1 441 . 1 1 38 38 GLU HB3 H 1 2.32 0.01 . 1 . . . . 38 GLU HB3 . 6564 1 442 . 1 1 38 38 GLU HG2 H 1 2.49 0.01 . 2 . . . . 38 GLU HG2 . 6564 1 443 . 1 1 38 38 GLU HG3 H 1 3.05 0.01 . 2 . . . . 38 GLU HG3 . 6564 1 444 . 1 1 38 38 GLU CA C 13 59.5 0.2 . 1 . . . . 38 GLU CA . 6564 1 445 . 1 1 38 38 GLU CB C 13 29.8 0.2 . 1 . . . . 38 GLU CB . 6564 1 446 . 1 1 38 38 GLU CG C 13 37.1 0.2 . 1 . . . . 38 GLU CG . 6564 1 447 . 1 1 38 38 GLU N N 15 120.7 0.2 . 1 . . . . 38 GLU N . 6564 1 448 . 1 1 39 39 LEU H H 1 8.85 0.01 . 1 . . . . 39 LEU H . 6564 1 449 . 1 1 39 39 LEU HA H 1 3.78 0.01 . 1 . . . . 39 LEU HA . 6564 1 450 . 1 1 39 39 LEU HB2 H 1 1.36 0.01 . 2 . . . . 39 LEU HB2 . 6564 1 451 . 1 1 39 39 LEU HB3 H 1 1.90 0.01 . 2 . . . . 39 LEU HB3 . 6564 1 452 . 1 1 39 39 LEU HG H 1 1.60 0.01 . 1 . . . . 39 LEU HG . 6564 1 453 . 1 1 39 39 LEU HD11 H 1 0.28 0.01 . 2 . . . . 39 LEU HD1 . 6564 1 454 . 1 1 39 39 LEU HD12 H 1 0.28 0.01 . 2 . . . . 39 LEU HD1 . 6564 1 455 . 1 1 39 39 LEU HD13 H 1 0.28 0.01 . 2 . . . . 39 LEU HD1 . 6564 1 456 . 1 1 39 39 LEU HD21 H 1 0.44 0.01 . 2 . . . . 39 LEU HD2 . 6564 1 457 . 1 1 39 39 LEU HD22 H 1 0.44 0.01 . 2 . . . . 39 LEU HD2 . 6564 1 458 . 1 1 39 39 LEU HD23 H 1 0.44 0.01 . 2 . . . . 39 LEU HD2 . 6564 1 459 . 1 1 39 39 LEU CA C 13 57.7 0.2 . 1 . . . . 39 LEU CA . 6564 1 460 . 1 1 39 39 LEU CB C 13 41.2 0.2 . 1 . . . . 39 LEU CB . 6564 1 461 . 1 1 39 39 LEU CG C 13 26.5 0.2 . 1 . . . . 39 LEU CG . 6564 1 462 . 1 1 39 39 LEU CD1 C 13 25.5 0.2 . 2 . . . . 39 LEU CD1 . 6564 1 463 . 1 1 39 39 LEU CD2 C 13 21.9 0.2 . 2 . . . . 39 LEU CD2 . 6564 1 464 . 1 1 39 39 LEU N N 15 119.3 0.2 . 1 . . . . 39 LEU N . 6564 1 465 . 1 1 40 40 LEU H H 1 8.13 0.01 . 1 . . . . 40 LEU H . 6564 1 466 . 1 1 40 40 LEU HA H 1 4.14 0.01 . 1 . . . . 40 LEU HA . 6564 1 467 . 1 1 40 40 LEU HB2 H 1 1.59 0.01 . 2 . . . . 40 LEU HB2 . 6564 1 468 . 1 1 40 40 LEU HB3 H 1 1.99 0.01 . 2 . . . . 40 LEU HB3 . 6564 1 469 . 1 1 40 40 LEU HG H 1 2.01 0.01 . 1 . . . . 40 LEU HG . 6564 1 470 . 1 1 40 40 LEU HD11 H 1 0.93 0.01 . 2 . . . . 40 LEU HD1 . 6564 1 471 . 1 1 40 40 LEU HD12 H 1 0.93 0.01 . 2 . . . . 40 LEU HD1 . 6564 1 472 . 1 1 40 40 LEU HD13 H 1 0.93 0.01 . 2 . . . . 40 LEU HD1 . 6564 1 473 . 1 1 40 40 LEU HD21 H 1 0.99 0.01 . 2 . . . . 40 LEU HD2 . 6564 1 474 . 1 1 40 40 LEU HD22 H 1 0.99 0.01 . 2 . . . . 40 LEU HD2 . 6564 1 475 . 1 1 40 40 LEU HD23 H 1 0.99 0.01 . 2 . . . . 40 LEU HD2 . 6564 1 476 . 1 1 40 40 LEU CA C 13 58.1 0.2 . 1 . . . . 40 LEU CA . 6564 1 477 . 1 1 40 40 LEU CB C 13 41.0 0.2 . 1 . . . . 40 LEU CB . 6564 1 478 . 1 1 40 40 LEU CG C 13 26.6 0.2 . 1 . . . . 40 LEU CG . 6564 1 479 . 1 1 40 40 LEU CD1 C 13 22.5 0.2 . 2 . . . . 40 LEU CD1 . 6564 1 480 . 1 1 40 40 LEU CD2 C 13 25.4 0.2 . 1 . . . . 40 LEU CD2 . 6564 1 481 . 1 1 40 40 LEU N N 15 118.3 0.2 . 1 . . . . 40 LEU N . 6564 1 482 . 1 1 41 41 ARG H H 1 7.80 0.01 . 1 . . . . 41 ARG H . 6564 1 483 . 1 1 41 41 ARG HA H 1 4.34 0.01 . 1 . . . . 41 ARG HA . 6564 1 484 . 1 1 41 41 ARG HB2 H 1 2.22 0.01 . 2 . . . . 41 ARG HB2 . 6564 1 485 . 1 1 41 41 ARG HB3 H 1 2.60 0.01 . 2 . . . . 41 ARG HB3 . 6564 1 486 . 1 1 41 41 ARG HG2 H 1 1.80 0.01 . 2 . . . . 41 ARG HG2 . 6564 1 487 . 1 1 41 41 ARG HG3 H 1 2.15 0.01 . 2 . . . . 41 ARG HG3 . 6564 1 488 . 1 1 41 41 ARG HD2 H 1 3.26 0.01 . 2 . . . . 41 ARG HD2 . 6564 1 489 . 1 1 41 41 ARG HD3 H 1 3.63 0.01 . 2 . . . . 41 ARG HD3 . 6564 1 490 . 1 1 41 41 ARG CA C 13 58.6 0.2 . 1 . . . . 41 ARG CA . 6564 1 491 . 1 1 41 41 ARG CB C 13 29.0 0.2 . 1 . . . . 41 ARG CB . 6564 1 492 . 1 1 41 41 ARG CG C 13 27.0 0.2 . 1 . . . . 41 ARG CG . 6564 1 493 . 1 1 41 41 ARG CD C 13 43.5 0.2 . 1 . . . . 41 ARG CD . 6564 1 494 . 1 1 41 41 ARG N N 15 121.2 0.2 . 1 . . . . 41 ARG N . 6564 1 495 . 1 1 42 42 VAL H H 1 8.74 0.01 . 1 . . . . 42 VAL H . 6564 1 496 . 1 1 42 42 VAL HA H 1 3.64 0.01 . 1 . . . . 42 VAL HA . 6564 1 497 . 1 1 42 42 VAL HB H 1 2.29 0.01 . 1 . . . . 42 VAL HB . 6564 1 498 . 1 1 42 42 VAL HG11 H 1 0.78 0.01 . 2 . . . . 42 VAL HG1 . 6564 1 499 . 1 1 42 42 VAL HG12 H 1 0.78 0.01 . 2 . . . . 42 VAL HG1 . 6564 1 500 . 1 1 42 42 VAL HG13 H 1 0.78 0.01 . 2 . . . . 42 VAL HG1 . 6564 1 501 . 1 1 42 42 VAL HG21 H 1 0.81 0.01 . 2 . . . . 42 VAL HG2 . 6564 1 502 . 1 1 42 42 VAL HG22 H 1 0.81 0.01 . 2 . . . . 42 VAL HG2 . 6564 1 503 . 1 1 42 42 VAL HG23 H 1 0.81 0.01 . 2 . . . . 42 VAL HG2 . 6564 1 504 . 1 1 42 42 VAL CA C 13 67.3 0.2 . 1 . . . . 42 VAL CA . 6564 1 505 . 1 1 42 42 VAL CB C 13 30.9 0.2 . 1 . . . . 42 VAL CB . 6564 1 506 . 1 1 42 42 VAL CG1 C 13 24.4 0.2 . 2 . . . . 42 VAL CG1 . 6564 1 507 . 1 1 42 42 VAL CG2 C 13 21.5 0.2 . 2 . . . . 42 VAL CG2 . 6564 1 508 . 1 1 42 42 VAL N N 15 121.4 0.2 . 1 . . . . 42 VAL N . 6564 1 509 . 1 1 43 43 GLY H H 1 8.47 0.01 . 1 . . . . 43 GLY H . 6564 1 510 . 1 1 43 43 GLY HA2 H 1 3.64 0.01 . 2 . . . . 43 GLY HA2 . 6564 1 511 . 1 1 43 43 GLY HA3 H 1 3.86 0.01 . 2 . . . . 43 GLY HA3 . 6564 1 512 . 1 1 43 43 GLY CA C 13 47.3 0.2 . 1 . . . . 43 GLY CA . 6564 1 513 . 1 1 43 43 GLY N N 15 105.3 0.2 . 1 . . . . 43 GLY N . 6564 1 514 . 1 1 44 44 GLN H H 1 7.62 0.01 . 1 . . . . 44 GLN H . 6564 1 515 . 1 1 44 44 GLN HA H 1 4.13 0.01 . 1 . . . . 44 GLN HA . 6564 1 516 . 1 1 44 44 GLN HB2 H 1 2.30 0.01 . 2 . . . . 44 GLN HB2 . 6564 1 517 . 1 1 44 44 GLN HB3 H 1 2.46 0.01 . 2 . . . . 44 GLN HB3 . 6564 1 518 . 1 1 44 44 GLN HG2 H 1 2.53 0.01 . 2 . . . . 44 GLN HG2 . 6564 1 519 . 1 1 44 44 GLN HG3 H 1 2.66 0.01 . 2 . . . . 44 GLN HG3 . 6564 1 520 . 1 1 44 44 GLN HE21 H 1 6.95 0.01 . 2 . . . . 44 GLN HE21 . 6564 1 521 . 1 1 44 44 GLN HE22 H 1 7.64 0.01 . 2 . . . . 44 GLN HE22 . 6564 1 522 . 1 1 44 44 GLN CA C 13 58.5 0.2 . 1 . . . . 44 GLN CA . 6564 1 523 . 1 1 44 44 GLN CB C 13 28.9 0.2 . 1 . . . . 44 GLN CB . 6564 1 524 . 1 1 44 44 GLN CG C 13 33.7 0.2 . 1 . . . . 44 GLN CG . 6564 1 525 . 1 1 44 44 GLN N N 15 119.3 0.2 . 1 . . . . 44 GLN N . 6564 1 526 . 1 1 44 44 GLN NE2 N 15 112.5 0.2 . 1 . . . . 44 GLN NE2 . 6564 1 527 . 1 1 45 45 ILE H H 1 8.42 0.01 . 1 . . . . 45 ILE H . 6564 1 528 . 1 1 45 45 ILE HA H 1 3.82 0.01 . 1 . . . . 45 ILE HA . 6564 1 529 . 1 1 45 45 ILE HB H 1 2.09 0.01 . 1 . . . . 45 ILE HB . 6564 1 530 . 1 1 45 45 ILE HG12 H 1 1.17 0.01 . 2 . . . . 45 ILE HG12 . 6564 1 531 . 1 1 45 45 ILE HG13 H 1 1.89 0.01 . 2 . . . . 45 ILE HG13 . 6564 1 532 . 1 1 45 45 ILE HG21 H 1 1.03 0.01 . 1 . . . . 45 ILE HG2 . 6564 1 533 . 1 1 45 45 ILE HG22 H 1 1.03 0.01 . 1 . . . . 45 ILE HG2 . 6564 1 534 . 1 1 45 45 ILE HG23 H 1 1.03 0.01 . 1 . . . . 45 ILE HG2 . 6564 1 535 . 1 1 45 45 ILE HD11 H 1 0.99 0.01 . 1 . . . . 45 ILE HD1 . 6564 1 536 . 1 1 45 45 ILE HD12 H 1 0.99 0.01 . 1 . . . . 45 ILE HD1 . 6564 1 537 . 1 1 45 45 ILE HD13 H 1 0.99 0.01 . 1 . . . . 45 ILE HD1 . 6564 1 538 . 1 1 45 45 ILE CA C 13 65.6 0.2 . 1 . . . . 45 ILE CA . 6564 1 539 . 1 1 45 45 ILE CB C 13 38.5 0.2 . 1 . . . . 45 ILE CB . 6564 1 540 . 1 1 45 45 ILE CG1 C 13 29.2 0.2 . 1 . . . . 45 ILE CG1 . 6564 1 541 . 1 1 45 45 ILE CG2 C 13 17.7 0.2 . 1 . . . . 45 ILE CG2 . 6564 1 542 . 1 1 45 45 ILE CD1 C 13 14.9 0.2 . 1 . . . . 45 ILE CD1 . 6564 1 543 . 1 1 45 45 ILE N N 15 123.1 0.2 . 1 . . . . 45 ILE N . 6564 1 544 . 1 1 46 46 LEU H H 1 8.09 0.01 . 1 . . . . 46 LEU H . 6564 1 545 . 1 1 46 46 LEU HA H 1 3.99 0.01 . 1 . . . . 46 LEU HA . 6564 1 546 . 1 1 46 46 LEU HB2 H 1 1.60 0.01 . 2 . . . . 46 LEU HB2 . 6564 1 547 . 1 1 46 46 LEU HB3 H 1 1.86 0.01 . 2 . . . . 46 LEU HB3 . 6564 1 548 . 1 1 46 46 LEU HG H 1 2.02 0.01 . 1 . . . . 46 LEU HG . 6564 1 549 . 1 1 46 46 LEU HD11 H 1 0.80 0.01 . 2 . . . . 46 LEU HD1 . 6564 1 550 . 1 1 46 46 LEU HD12 H 1 0.80 0.01 . 2 . . . . 46 LEU HD1 . 6564 1 551 . 1 1 46 46 LEU HD13 H 1 0.80 0.01 . 2 . . . . 46 LEU HD1 . 6564 1 552 . 1 1 46 46 LEU HD21 H 1 0.86 0.01 . 2 . . . . 46 LEU HD2 . 6564 1 553 . 1 1 46 46 LEU HD22 H 1 0.86 0.01 . 2 . . . . 46 LEU HD2 . 6564 1 554 . 1 1 46 46 LEU HD23 H 1 0.86 0.01 . 2 . . . . 46 LEU HD2 . 6564 1 555 . 1 1 46 46 LEU CA C 13 56.7 0.2 . 1 . . . . 46 LEU CA . 6564 1 556 . 1 1 46 46 LEU CB C 13 41.4 0.2 . 1 . . . . 46 LEU CB . 6564 1 557 . 1 1 46 46 LEU CG C 13 26.8 0.2 . 1 . . . . 46 LEU CG . 6564 1 558 . 1 1 46 46 LEU CD1 C 13 22.7 0.2 . 2 . . . . 46 LEU CD1 . 6564 1 559 . 1 1 46 46 LEU CD2 C 13 25.7 0.2 . 2 . . . . 46 LEU CD2 . 6564 1 560 . 1 1 46 46 LEU N N 15 115.2 0.2 . 1 . . . . 46 LEU N . 6564 1 561 . 1 1 47 47 LYS H H 1 7.21 0.01 . 1 . . . . 47 LYS H . 6564 1 562 . 1 1 47 47 LYS HA H 1 4.29 0.01 . 1 . . . . 47 LYS HA . 6564 1 563 . 1 1 47 47 LYS HB2 H 1 1.93 0.01 . 2 . . . . 47 LYS HB2 . 6564 1 564 . 1 1 47 47 LYS HB3 H 1 2.03 0.01 . 2 . . . . 47 LYS HB3 . 6564 1 565 . 1 1 47 47 LYS HG2 H 1 1.60 0.01 . 2 . . . . 47 LYS HG2 . 6564 1 566 . 1 1 47 47 LYS HG3 H 1 1.73 0.01 . 2 . . . . 47 LYS HG3 . 6564 1 567 . 1 1 47 47 LYS HD2 H 1 1.76 0.01 . 1 . . . . 47 LYS HD2 . 6564 1 568 . 1 1 47 47 LYS HD3 H 1 1.76 0.01 . 1 . . . . 47 LYS HD3 . 6564 1 569 . 1 1 47 47 LYS HE2 H 1 3.05 0.01 . 1 . . . . 47 LYS HE2 . 6564 1 570 . 1 1 47 47 LYS HE3 H 1 3.05 0.01 . 1 . . . . 47 LYS HE3 . 6564 1 571 . 1 1 47 47 LYS CA C 13 56.3 0.2 . 1 . . . . 47 LYS CA . 6564 1 572 . 1 1 47 47 LYS CB C 13 33.3 0.2 . 1 . . . . 47 LYS CB . 6564 1 573 . 1 1 47 47 LYS CG C 13 25.3 0.2 . 1 . . . . 47 LYS CG . 6564 1 574 . 1 1 47 47 LYS CD C 13 29.2 0.2 . 1 . . . . 47 LYS CD . 6564 1 575 . 1 1 47 47 LYS CE C 13 42.2 0.2 . 1 . . . . 47 LYS CE . 6564 1 576 . 1 1 47 47 LYS N N 15 114.4 0.2 . 1 . . . . 47 LYS N . 6564 1 577 . 1 1 48 48 GLU H H 1 7.78 0.01 . 1 . . . . 48 GLU H . 6564 1 578 . 1 1 48 48 GLU HA H 1 4.58 0.01 . 1 . . . . 48 GLU HA . 6564 1 579 . 1 1 48 48 GLU HB2 H 1 2.29 0.01 . 2 . . . . 48 GLU HB2 . 6564 1 580 . 1 1 48 48 GLU HB3 H 1 2.37 0.01 . 2 . . . . 48 GLU HB3 . 6564 1 581 . 1 1 48 48 GLU HG2 H 1 2.46 0.01 . 2 . . . . 48 GLU HG2 . 6564 1 582 . 1 1 48 48 GLU HG3 H 1 2.71 0.01 . 2 . . . . 48 GLU HG3 . 6564 1 583 . 1 1 48 48 GLU CA C 13 55.1 0.2 . 1 . . . . 48 GLU CA . 6564 1 584 . 1 1 48 48 GLU CB C 13 29.3 0.2 . 1 . . . . 48 GLU CB . 6564 1 585 . 1 1 48 48 GLU CG C 13 36.5 0.2 . 1 . . . . 48 GLU CG . 6564 1 586 . 1 1 48 48 GLU N N 15 125.0 0.2 . 1 . . . . 48 GLU N . 6564 1 587 . 1 1 49 49 PRO HA H 1 4.28 0.01 . 1 . . . . 49 PRO HA . 6564 1 588 . 1 1 49 49 PRO HB2 H 1 2.09 0.01 . 2 . . . . 49 PRO HB2 . 6564 1 589 . 1 1 49 49 PRO HB3 H 1 2.48 0.01 . 2 . . . . 49 PRO HB3 . 6564 1 590 . 1 1 49 49 PRO HG2 H 1 2.14 0.01 . 2 . . . . 49 PRO HG2 . 6564 1 591 . 1 1 49 49 PRO HG3 H 1 2.29 0.01 . 2 . . . . 49 PRO HG3 . 6564 1 592 . 1 1 49 49 PRO HD2 H 1 4.00 0.01 . 2 . . . . 49 PRO HD2 . 6564 1 593 . 1 1 49 49 PRO HD3 H 1 4.18 0.01 . 2 . . . . 49 PRO HD3 . 6564 1 594 . 1 1 49 49 PRO CA C 13 66.4 0.2 . 1 . . . . 49 PRO CA . 6564 1 595 . 1 1 49 49 PRO CB C 13 32.4 0.2 . 1 . . . . 49 PRO CB . 6564 1 596 . 1 1 49 49 PRO CG C 13 27.6 0.2 . 1 . . . . 49 PRO CG . 6564 1 597 . 1 1 49 49 PRO CD C 13 50.9 0.2 . 1 . . . . 49 PRO CD . 6564 1 598 . 1 1 50 50 LYS H H 1 8.96 0.01 . 1 . . . . 50 LYS H . 6564 1 599 . 1 1 50 50 LYS HA H 1 4.23 0.01 . 1 . . . . 50 LYS HA . 6564 1 600 . 1 1 50 50 LYS HB2 H 1 1.94 0.01 . 2 . . . . 50 LYS HB2 . 6564 1 601 . 1 1 50 50 LYS HB3 H 1 2.06 0.01 . 2 . . . . 50 LYS HB3 . 6564 1 602 . 1 1 50 50 LYS HG2 H 1 1.53 0.01 . 2 . . . . 50 LYS HG2 . 6564 1 603 . 1 1 50 50 LYS HG3 H 1 1.60 0.01 . 2 . . . . 50 LYS HG3 . 6564 1 604 . 1 1 50 50 LYS HD2 H 1 1.79 0.01 . 1 . . . . 50 LYS HD2 . 6564 1 605 . 1 1 50 50 LYS HD3 H 1 1.79 0.01 . 1 . . . . 50 LYS HD3 . 6564 1 606 . 1 1 50 50 LYS HE2 H 1 3.08 0.01 . 1 . . . . 50 LYS HE2 . 6564 1 607 . 1 1 50 50 LYS HE3 H 1 3.08 0.01 . 1 . . . . 50 LYS HE3 . 6564 1 608 . 1 1 50 50 LYS CA C 13 59.4 0.2 . 1 . . . . 50 LYS CA . 6564 1 609 . 1 1 50 50 LYS CB C 13 32.0 0.2 . 1 . . . . 50 LYS CB . 6564 1 610 . 1 1 50 50 LYS CG C 13 25.3 0.2 . 1 . . . . 50 LYS CG . 6564 1 611 . 1 1 50 50 LYS CD C 13 29.3 0.2 . 1 . . . . 50 LYS CD . 6564 1 612 . 1 1 50 50 LYS CE C 13 42.3 0.2 . 1 . . . . 50 LYS CE . 6564 1 613 . 1 1 50 50 LYS N N 15 117.0 0.2 . 1 . . . . 50 LYS N . 6564 1 614 . 1 1 51 51 MET H H 1 7.78 0.01 . 1 . . . . 51 MET H . 6564 1 615 . 1 1 51 51 MET HA H 1 4.59 0.01 . 1 . . . . 51 MET HA . 6564 1 616 . 1 1 51 51 MET HB2 H 1 2.05 0.01 . 2 . . . . 51 MET HB2 . 6564 1 617 . 1 1 51 51 MET HB3 H 1 2.57 0.01 . 2 . . . . 51 MET HB3 . 6564 1 618 . 1 1 51 51 MET HG2 H 1 2.69 0.01 . 2 . . . . 51 MET HG2 . 6564 1 619 . 1 1 51 51 MET HG3 H 1 2.77 0.01 . 2 . . . . 51 MET HG3 . 6564 1 620 . 1 1 51 51 MET HE1 H 1 2.12 0.01 . 1 . . . . 51 MET HE . 6564 1 621 . 1 1 51 51 MET HE2 H 1 2.12 0.01 . 1 . . . . 51 MET HE . 6564 1 622 . 1 1 51 51 MET HE3 H 1 2.12 0.01 . 1 . . . . 51 MET HE . 6564 1 623 . 1 1 51 51 MET CA C 13 56.4 0.2 . 1 . . . . 51 MET CA . 6564 1 624 . 1 1 51 51 MET CB C 13 32.1 0.2 . 1 . . . . 51 MET CB . 6564 1 625 . 1 1 51 51 MET CG C 13 32.6 0.2 . 1 . . . . 51 MET CG . 6564 1 626 . 1 1 51 51 MET CE C 13 17.4 0.2 . 1 . . . . 51 MET CE . 6564 1 627 . 1 1 51 51 MET N N 15 119.3 0.2 . 1 . . . . 51 MET N . 6564 1 628 . 1 1 52 52 ALA H H 1 8.76 0.01 . 1 . . . . 52 ALA H . 6564 1 629 . 1 1 52 52 ALA HA H 1 4.00 0.01 . 1 . . . . 52 ALA HA . 6564 1 630 . 1 1 52 52 ALA HB1 H 1 1.54 0.01 . 1 . . . . 52 ALA HB . 6564 1 631 . 1 1 52 52 ALA HB2 H 1 1.54 0.01 . 1 . . . . 52 ALA HB . 6564 1 632 . 1 1 52 52 ALA HB3 H 1 1.54 0.01 . 1 . . . . 52 ALA HB . 6564 1 633 . 1 1 52 52 ALA CA C 13 55.8 0.2 . 1 . . . . 52 ALA CA . 6564 1 634 . 1 1 52 52 ALA CB C 13 18.2 0.2 . 1 . . . . 52 ALA CB . 6564 1 635 . 1 1 52 52 ALA N N 15 123.7 0.2 . 1 . . . . 52 ALA N . 6564 1 636 . 1 1 53 53 ALA H H 1 7.93 0.01 . 1 . . . . 53 ALA H . 6564 1 637 . 1 1 53 53 ALA HA H 1 4.23 0.01 . 1 . . . . 53 ALA HA . 6564 1 638 . 1 1 53 53 ALA HB1 H 1 1.58 0.01 . 1 . . . . 53 ALA HB . 6564 1 639 . 1 1 53 53 ALA HB2 H 1 1.58 0.01 . 1 . . . . 53 ALA HB . 6564 1 640 . 1 1 53 53 ALA HB3 H 1 1.58 0.01 . 1 . . . . 53 ALA HB . 6564 1 641 . 1 1 53 53 ALA CA C 13 54.5 0.2 . 1 . . . . 53 ALA CA . 6564 1 642 . 1 1 53 53 ALA CB C 13 18.5 0.2 . 1 . . . . 53 ALA CB . 6564 1 643 . 1 1 53 53 ALA N N 15 117.0 0.2 . 1 . . . . 53 ALA N . 6564 1 644 . 1 1 54 54 SER H H 1 7.57 0.01 . 1 . . . . 54 SER H . 6564 1 645 . 1 1 54 54 SER HA H 1 4.62 0.01 . 1 . . . . 54 SER HA . 6564 1 646 . 1 1 54 54 SER HB2 H 1 4.01 0.01 . 1 . . . . 54 SER HB2 . 6564 1 647 . 1 1 54 54 SER HB3 H 1 4.01 0.01 . 1 . . . . 54 SER HB3 . 6564 1 648 . 1 1 54 54 SER CA C 13 59.8 0.2 . 1 . . . . 54 SER CA . 6564 1 649 . 1 1 54 54 SER CB C 13 64.0 0.2 . 1 . . . . 54 SER CB . 6564 1 650 . 1 1 54 54 SER N N 15 111.4 0.2 . 1 . . . . 54 SER N . 6564 1 651 . 1 1 55 55 LEU H H 1 8.23 0.01 . 1 . . . . 55 LEU H . 6564 1 652 . 1 1 55 55 LEU HA H 1 4.17 0.01 . 1 . . . . 55 LEU HA . 6564 1 653 . 1 1 55 55 LEU HB2 H 1 1.44 0.01 . 2 . . . . 55 LEU HB2 . 6564 1 654 . 1 1 55 55 LEU HB3 H 1 1.84 0.01 . 2 . . . . 55 LEU HB3 . 6564 1 655 . 1 1 55 55 LEU HG H 1 1.99 0.01 . 1 . . . . 55 LEU HG . 6564 1 656 . 1 1 55 55 LEU HD11 H 1 0.90 0.01 . 2 . . . . 55 LEU HD1 . 6564 1 657 . 1 1 55 55 LEU HD12 H 1 0.90 0.01 . 2 . . . . 55 LEU HD1 . 6564 1 658 . 1 1 55 55 LEU HD13 H 1 0.90 0.01 . 2 . . . . 55 LEU HD1 . 6564 1 659 . 1 1 55 55 LEU HD21 H 1 0.92 0.01 . 2 . . . . 55 LEU HD2 . 6564 1 660 . 1 1 55 55 LEU HD22 H 1 0.92 0.01 . 2 . . . . 55 LEU HD2 . 6564 1 661 . 1 1 55 55 LEU HD23 H 1 0.92 0.01 . 2 . . . . 55 LEU HD2 . 6564 1 662 . 1 1 55 55 LEU CA C 13 57.2 0.2 . 1 . . . . 55 LEU CA . 6564 1 663 . 1 1 55 55 LEU CB C 13 42.4 0.2 . 1 . . . . 55 LEU CB . 6564 1 664 . 1 1 55 55 LEU CG C 13 26.9 0.2 . 1 . . . . 55 LEU CG . 6564 1 665 . 1 1 55 55 LEU CD1 C 13 23.2 0.2 . 2 . . . . 55 LEU CD1 . 6564 1 666 . 1 1 55 55 LEU CD2 C 13 26.3 0.2 . 2 . . . . 55 LEU CD2 . 6564 1 667 . 1 1 55 55 LEU N N 15 117.8 0.2 . 1 . . . . 55 LEU N . 6564 1 668 . 1 1 56 56 LEU H H 1 7.71 0.01 . 1 . . . . 56 LEU H . 6564 1 669 . 1 1 56 56 LEU HA H 1 4.47 0.01 . 1 . . . . 56 LEU HA . 6564 1 670 . 1 1 56 56 LEU HB2 H 1 1.77 0.01 . 2 . . . . 56 LEU HB2 . 6564 1 671 . 1 1 56 56 LEU HB3 H 1 1.95 0.01 . 2 . . . . 56 LEU HB3 . 6564 1 672 . 1 1 56 56 LEU HG H 1 1.68 0.01 . 1 . . . . 56 LEU HG . 6564 1 673 . 1 1 56 56 LEU HD11 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 6564 1 674 . 1 1 56 56 LEU HD12 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 6564 1 675 . 1 1 56 56 LEU HD13 H 1 0.85 0.01 . 2 . . . . 56 LEU HD1 . 6564 1 676 . 1 1 56 56 LEU HD21 H 1 1.02 0.01 . 2 . . . . 56 LEU HD2 . 6564 1 677 . 1 1 56 56 LEU HD22 H 1 1.02 0.01 . 2 . . . . 56 LEU HD2 . 6564 1 678 . 1 1 56 56 LEU HD23 H 1 1.02 0.01 . 2 . . . . 56 LEU HD2 . 6564 1 679 . 1 1 56 56 LEU CA C 13 54.1 0.2 . 1 . . . . 56 LEU CA . 6564 1 680 . 1 1 56 56 LEU CB C 13 41.1 0.2 . 1 . . . . 56 LEU CB . 6564 1 681 . 1 1 56 56 LEU CG C 13 27.0 0.2 . 1 . . . . 56 LEU CG . 6564 1 682 . 1 1 56 56 LEU CD1 C 13 22.9 0.2 . 2 . . . . 56 LEU CD1 . 6564 1 683 . 1 1 56 56 LEU CD2 C 13 25.6 0.2 . 1 . . . . 56 LEU CD2 . 6564 1 684 . 1 1 56 56 LEU N N 15 114.9 0.2 . 1 . . . . 56 LEU N . 6564 1 685 . 1 1 57 57 ASN H H 1 7.07 0.01 . 1 . . . . 57 ASN H . 6564 1 686 . 1 1 57 57 ASN HA H 1 4.97 0.01 . 1 . . . . 57 ASN HA . 6564 1 687 . 1 1 57 57 ASN HB2 H 1 2.95 0.01 . 2 . . . . 57 ASN HB2 . 6564 1 688 . 1 1 57 57 ASN HB3 H 1 3.10 0.01 . 2 . . . . 57 ASN HB3 . 6564 1 689 . 1 1 57 57 ASN HD21 H 1 7.28 0.01 . 2 . . . . 57 ASN HD21 . 6564 1 690 . 1 1 57 57 ASN HD22 H 1 7.73 0.01 . 2 . . . . 57 ASN HD22 . 6564 1 691 . 1 1 57 57 ASN CA C 13 50.9 0.2 . 1 . . . . 57 ASN CA . 6564 1 692 . 1 1 57 57 ASN CB C 13 39.9 0.2 . 1 . . . . 57 ASN CB . 6564 1 693 . 1 1 57 57 ASN N N 15 119.6 0.2 . 1 . . . . 57 ASN N . 6564 1 694 . 1 1 57 57 ASN ND2 N 15 112.6 0.2 . 1 . . . . 57 ASN ND2 . 6564 1 695 . 1 1 58 58 PRO HA H 1 4.45 0.01 . 1 . . . . 58 PRO HA . 6564 1 696 . 1 1 58 58 PRO HB2 H 1 1.52 0.01 . 2 . . . . 58 PRO HB2 . 6564 1 697 . 1 1 58 58 PRO HB3 H 1 2.22 0.01 . 2 . . . . 58 PRO HB3 . 6564 1 698 . 1 1 58 58 PRO HG2 H 1 1.43 0.01 . 2 . . . . 58 PRO HG2 . 6564 1 699 . 1 1 58 58 PRO HG3 H 1 1.94 0.01 . 2 . . . . 58 PRO HG3 . 6564 1 700 . 1 1 58 58 PRO HD2 H 1 3.84 0.01 . 2 . . . . 58 PRO HD2 . 6564 1 701 . 1 1 58 58 PRO HD3 H 1 4.05 0.01 . 2 . . . . 58 PRO HD3 . 6564 1 702 . 1 1 58 58 PRO CA C 13 64.1 0.2 . 1 . . . . 58 PRO CA . 6564 1 703 . 1 1 58 58 PRO CB C 13 32.1 0.2 . 1 . . . . 58 PRO CB . 6564 1 704 . 1 1 58 58 PRO CG C 13 26.4 0.2 . 1 . . . . 58 PRO CG . 6564 1 705 . 1 1 58 58 PRO CD C 13 51.2 0.2 . 1 . . . . 58 PRO CD . 6564 1 706 . 1 1 59 59 TYR H H 1 8.26 0.01 . 1 . . . . 59 TYR H . 6564 1 707 . 1 1 59 59 TYR HA H 1 4.66 0.01 . 1 . . . . 59 TYR HA . 6564 1 708 . 1 1 59 59 TYR HB2 H 1 2.96 0.01 . 2 . . . . 59 TYR HB2 . 6564 1 709 . 1 1 59 59 TYR HB3 H 1 3.42 0.01 . 2 . . . . 59 TYR HB3 . 6564 1 710 . 1 1 59 59 TYR HD1 H 1 7.22 0.01 . 1 . . . . 59 TYR HD1 . 6564 1 711 . 1 1 59 59 TYR HD2 H 1 7.22 0.01 . 1 . . . . 59 TYR HD2 . 6564 1 712 . 1 1 59 59 TYR HE1 H 1 6.95 0.01 . 1 . . . . 59 TYR HE1 . 6564 1 713 . 1 1 59 59 TYR HE2 H 1 6.95 0.01 . 1 . . . . 59 TYR HE2 . 6564 1 714 . 1 1 59 59 TYR CA C 13 57.7 0.2 . 1 . . . . 59 TYR CA . 6564 1 715 . 1 1 59 59 TYR CB C 13 37.7 0.2 . 1 . . . . 59 TYR CB . 6564 1 716 . 1 1 59 59 TYR CD1 C 13 133.0 0.2 . 1 . . . . 59 TYR CD1 . 6564 1 717 . 1 1 59 59 TYR CD2 C 13 133.0 0.2 . 1 . . . . 59 TYR CD2 . 6564 1 718 . 1 1 59 59 TYR CE1 C 13 118.4 0.2 . 1 . . . . 59 TYR CE1 . 6564 1 719 . 1 1 59 59 TYR CE2 C 13 118.4 0.2 . 1 . . . . 59 TYR CE2 . 6564 1 720 . 1 1 59 59 TYR N N 15 117.0 0.2 . 1 . . . . 59 TYR N . 6564 1 721 . 1 1 60 60 VAL H H 1 7.08 0.01 . 1 . . . . 60 VAL H . 6564 1 722 . 1 1 60 60 VAL HA H 1 4.17 0.01 . 1 . . . . 60 VAL HA . 6564 1 723 . 1 1 60 60 VAL HB H 1 2.07 0.01 . 1 . . . . 60 VAL HB . 6564 1 724 . 1 1 60 60 VAL HG11 H 1 1.15 0.01 . 2 . . . . 60 VAL HG1 . 6564 1 725 . 1 1 60 60 VAL HG12 H 1 1.15 0.01 . 2 . . . . 60 VAL HG1 . 6564 1 726 . 1 1 60 60 VAL HG13 H 1 1.15 0.01 . 2 . . . . 60 VAL HG1 . 6564 1 727 . 1 1 60 60 VAL HG21 H 1 1.17 0.01 . 2 . . . . 60 VAL HG2 . 6564 1 728 . 1 1 60 60 VAL HG22 H 1 1.17 0.01 . 2 . . . . 60 VAL HG2 . 6564 1 729 . 1 1 60 60 VAL HG23 H 1 1.17 0.01 . 2 . . . . 60 VAL HG2 . 6564 1 730 . 1 1 60 60 VAL CA C 13 62.2 0.2 . 1 . . . . 60 VAL CA . 6564 1 731 . 1 1 60 60 VAL CB C 13 32.7 0.2 . 1 . . . . 60 VAL CB . 6564 1 732 . 1 1 60 60 VAL CG1 C 13 21.1 0.2 . 2 . . . . 60 VAL CG1 . 6564 1 733 . 1 1 60 60 VAL CG2 C 13 22.3 0.2 . 2 . . . . 60 VAL CG2 . 6564 1 734 . 1 1 60 60 VAL N N 15 121.8 0.2 . 1 . . . . 60 VAL N . 6564 1 735 . 1 1 61 61 LYS H H 1 8.63 0.01 . 1 . . . . 61 LYS H . 6564 1 736 . 1 1 61 61 LYS HA H 1 4.30 0.01 . 1 . . . . 61 LYS HA . 6564 1 737 . 1 1 61 61 LYS HB2 H 1 1.91 0.01 . 2 . . . . 61 LYS HB2 . 6564 1 738 . 1 1 61 61 LYS HB3 H 1 2.17 0.01 . 2 . . . . 61 LYS HB3 . 6564 1 739 . 1 1 61 61 LYS HG2 H 1 1.72 0.01 . 2 . . . . 61 LYS HG2 . 6564 1 740 . 1 1 61 61 LYS HG3 H 1 1.78 0.01 . 2 . . . . 61 LYS HG3 . 6564 1 741 . 1 1 61 61 LYS HD2 H 1 1.86 0.01 . 1 . . . . 61 LYS HD2 . 6564 1 742 . 1 1 61 61 LYS HD3 H 1 1.86 0.01 . 1 . . . . 61 LYS HD3 . 6564 1 743 . 1 1 61 61 LYS HE2 H 1 3.17 0.01 . 1 . . . . 61 LYS HE2 . 6564 1 744 . 1 1 61 61 LYS HE3 H 1 3.17 0.01 . 1 . . . . 61 LYS HE3 . 6564 1 745 . 1 1 61 61 LYS CA C 13 57.1 0.2 . 1 . . . . 61 LYS CA . 6564 1 746 . 1 1 61 61 LYS CB C 13 33.3 0.2 . 1 . . . . 61 LYS CB . 6564 1 747 . 1 1 61 61 LYS CG C 13 25.5 0.2 . 1 . . . . 61 LYS CG . 6564 1 748 . 1 1 61 61 LYS CD C 13 29.3 0.2 . 1 . . . . 61 LYS CD . 6564 1 749 . 1 1 61 61 LYS CE C 13 42.2 0.2 . 1 . . . . 61 LYS CE . 6564 1 750 . 1 1 61 61 LYS N N 15 127.1 0.2 . 1 . . . . 61 LYS N . 6564 1 751 . 1 1 62 62 ARG H H 1 8.88 0.01 . 1 . . . . 62 ARG H . 6564 1 752 . 1 1 62 62 ARG HA H 1 3.99 0.01 . 1 . . . . 62 ARG HA . 6564 1 753 . 1 1 62 62 ARG HB2 H 1 2.01 0.01 . 2 . . . . 62 ARG HB2 . 6564 1 754 . 1 1 62 62 ARG HB3 H 1 2.16 0.01 . 2 . . . . 62 ARG HB3 . 6564 1 755 . 1 1 62 62 ARG HG2 H 1 1.78 0.01 . 2 . . . . 62 ARG HG2 . 6564 1 756 . 1 1 62 62 ARG HG3 H 1 1.83 0.01 . 2 . . . . 62 ARG HG3 . 6564 1 757 . 1 1 62 62 ARG HD2 H 1 3.36 0.01 . 1 . . . . 62 ARG HD2 . 6564 1 758 . 1 1 62 62 ARG HD3 H 1 3.36 0.01 . 1 . . . . 62 ARG HD3 . 6564 1 759 . 1 1 62 62 ARG CA C 13 60.2 0.2 . 1 . . . . 62 ARG CA . 6564 1 760 . 1 1 62 62 ARG CB C 13 30.1 0.2 . 1 . . . . 62 ARG CB . 6564 1 761 . 1 1 62 62 ARG CG C 13 27.1 0.2 . 1 . . . . 62 ARG CG . 6564 1 762 . 1 1 62 62 ARG CD C 13 43.5 0.2 . 1 . . . . 62 ARG CD . 6564 1 763 . 1 1 62 62 ARG N N 15 124.2 0.2 . 1 . . . . 62 ARG N . 6564 1 764 . 1 1 63 63 SER H H 1 8.65 0.01 . 1 . . . . 63 SER H . 6564 1 765 . 1 1 63 63 SER HA H 1 4.17 0.01 . 1 . . . . 63 SER HA . 6564 1 766 . 1 1 63 63 SER HB2 H 1 3.99 0.01 . 1 . . . . 63 SER HB2 . 6564 1 767 . 1 1 63 63 SER HB3 H 1 3.99 0.01 . 1 . . . . 63 SER HB3 . 6564 1 768 . 1 1 63 63 SER CA C 13 61.1 0.2 . 1 . . . . 63 SER CA . 6564 1 769 . 1 1 63 63 SER CB C 13 61.8 0.2 . 1 . . . . 63 SER CB . 6564 1 770 . 1 1 63 63 SER N N 15 112.0 0.2 . 1 . . . . 63 SER N . 6564 1 771 . 1 1 64 64 VAL H H 1 7.15 0.01 . 1 . . . . 64 VAL H . 6564 1 772 . 1 1 64 64 VAL HA H 1 3.84 0.01 . 1 . . . . 64 VAL HA . 6564 1 773 . 1 1 64 64 VAL HB H 1 2.34 0.01 . 1 . . . . 64 VAL HB . 6564 1 774 . 1 1 64 64 VAL HG11 H 1 1.01 0.01 . 2 . . . . 64 VAL HG1 . 6564 1 775 . 1 1 64 64 VAL HG12 H 1 1.01 0.01 . 2 . . . . 64 VAL HG1 . 6564 1 776 . 1 1 64 64 VAL HG13 H 1 1.01 0.01 . 2 . . . . 64 VAL HG1 . 6564 1 777 . 1 1 64 64 VAL HG21 H 1 1.14 0.01 . 2 . . . . 64 VAL HG2 . 6564 1 778 . 1 1 64 64 VAL HG22 H 1 1.14 0.01 . 2 . . . . 64 VAL HG2 . 6564 1 779 . 1 1 64 64 VAL HG23 H 1 1.14 0.01 . 2 . . . . 64 VAL HG2 . 6564 1 780 . 1 1 64 64 VAL CA C 13 65.4 0.2 . 1 . . . . 64 VAL CA . 6564 1 781 . 1 1 64 64 VAL CB C 13 31.8 0.2 . 1 . . . . 64 VAL CB . 6564 1 782 . 1 1 64 64 VAL CG1 C 13 20.9 0.2 . 2 . . . . 64 VAL CG1 . 6564 1 783 . 1 1 64 64 VAL CG2 C 13 22.6 0.2 . 2 . . . . 64 VAL CG2 . 6564 1 784 . 1 1 64 64 VAL N N 15 124.1 0.2 . 1 . . . . 64 VAL N . 6564 1 785 . 1 1 65 65 LYS H H 1 7.73 0.01 . 1 . . . . 65 LYS H . 6564 1 786 . 1 1 65 65 LYS HA H 1 3.99 0.01 . 1 . . . . 65 LYS HA . 6564 1 787 . 1 1 65 65 LYS HB2 H 1 1.78 0.01 . 2 . . . . 65 LYS HB2 . 6564 1 788 . 1 1 65 65 LYS HB3 H 1 2.12 0.01 . 2 . . . . 65 LYS HB3 . 6564 1 789 . 1 1 65 65 LYS HG2 H 1 1.40 0.01 . 2 . . . . 65 LYS HG2 . 6564 1 790 . 1 1 65 65 LYS HG3 H 1 1.64 0.01 . 2 . . . . 65 LYS HG3 . 6564 1 791 . 1 1 65 65 LYS HD2 H 1 1.86 0.01 . 1 . . . . 65 LYS HD2 . 6564 1 792 . 1 1 65 65 LYS HD3 H 1 1.86 0.01 . 1 . . . . 65 LYS HD3 . 6564 1 793 . 1 1 65 65 LYS HE2 H 1 3.11 0.01 . 2 . . . . 65 LYS HE2 . 6564 1 794 . 1 1 65 65 LYS HE3 H 1 3.19 0.01 . 2 . . . . 65 LYS HE3 . 6564 1 795 . 1 1 65 65 LYS CA C 13 60.2 0.2 . 1 . . . . 65 LYS CA . 6564 1 796 . 1 1 65 65 LYS CB C 13 32.5 0.2 . 1 . . . . 65 LYS CB . 6564 1 797 . 1 1 65 65 LYS CG C 13 26.3 0.2 . 1 . . . . 65 LYS CG . 6564 1 798 . 1 1 65 65 LYS CD C 13 29.3 0.2 . 1 . . . . 65 LYS CD . 6564 1 799 . 1 1 65 65 LYS CE C 13 42.6 0.2 . 1 . . . . 65 LYS CE . 6564 1 800 . 1 1 65 65 LYS N N 15 121.8 0.2 . 1 . . . . 65 LYS N . 6564 1 801 . 1 1 66 66 VAL H H 1 8.62 0.01 . 1 . . . . 66 VAL H . 6564 1 802 . 1 1 66 66 VAL HA H 1 3.65 0.01 . 1 . . . . 66 VAL HA . 6564 1 803 . 1 1 66 66 VAL HB H 1 2.13 0.01 . 1 . . . . 66 VAL HB . 6564 1 804 . 1 1 66 66 VAL HG11 H 1 1.03 0.01 . 2 . . . . 66 VAL HG1 . 6564 1 805 . 1 1 66 66 VAL HG12 H 1 1.03 0.01 . 2 . . . . 66 VAL HG1 . 6564 1 806 . 1 1 66 66 VAL HG13 H 1 1.03 0.01 . 2 . . . . 66 VAL HG1 . 6564 1 807 . 1 1 66 66 VAL HG21 H 1 1.09 0.01 . 2 . . . . 66 VAL HG2 . 6564 1 808 . 1 1 66 66 VAL HG22 H 1 1.09 0.01 . 2 . . . . 66 VAL HG2 . 6564 1 809 . 1 1 66 66 VAL HG23 H 1 1.09 0.01 . 2 . . . . 66 VAL HG2 . 6564 1 810 . 1 1 66 66 VAL CA C 13 66.5 0.2 . 1 . . . . 66 VAL CA . 6564 1 811 . 1 1 66 66 VAL CB C 13 31.8 0.2 . 1 . . . . 66 VAL CB . 6564 1 812 . 1 1 66 66 VAL CG1 C 13 21.2 0.2 . 2 . . . . 66 VAL CG1 . 6564 1 813 . 1 1 66 66 VAL CG2 C 13 22.5 0.2 . 2 . . . . 66 VAL CG2 . 6564 1 814 . 1 1 66 66 VAL N N 15 117.6 0.2 . 1 . . . . 66 VAL N . 6564 1 815 . 1 1 67 67 LYS H H 1 7.68 0.01 . 1 . . . . 67 LYS H . 6564 1 816 . 1 1 67 67 LYS HA H 1 4.25 0.01 . 1 . . . . 67 LYS HA . 6564 1 817 . 1 1 67 67 LYS HB2 H 1 2.01 0.01 . 2 . . . . 67 LYS HB2 . 6564 1 818 . 1 1 67 67 LYS HB3 H 1 2.09 0.01 . 2 . . . . 67 LYS HB3 . 6564 1 819 . 1 1 67 67 LYS HG2 H 1 1.56 0.01 . 1 . . . . 67 LYS HG2 . 6564 1 820 . 1 1 67 67 LYS HG3 H 1 1.56 0.01 . 1 . . . . 67 LYS HG3 . 6564 1 821 . 1 1 67 67 LYS HD2 H 1 1.73 0.01 . 2 . . . . 67 LYS HD2 . 6564 1 822 . 1 1 67 67 LYS HD3 H 1 1.84 0.01 . 2 . . . . 67 LYS HD3 . 6564 1 823 . 1 1 67 67 LYS HE2 H 1 3.09 0.01 . 1 . . . . 67 LYS HE2 . 6564 1 824 . 1 1 67 67 LYS HE3 H 1 3.09 0.01 . 1 . . . . 67 LYS HE3 . 6564 1 825 . 1 1 67 67 LYS CA C 13 59.1 0.2 . 1 . . . . 67 LYS CA . 6564 1 826 . 1 1 67 67 LYS CB C 13 32.1 0.2 . 1 . . . . 67 LYS CB . 6564 1 827 . 1 1 67 67 LYS CG C 13 25.1 0.2 . 1 . . . . 67 LYS CG . 6564 1 828 . 1 1 67 67 LYS CD C 13 28.7 0.2 . 1 . . . . 67 LYS CD . 6564 1 829 . 1 1 67 67 LYS CE C 13 42.3 0.2 . 1 . . . . 67 LYS CE . 6564 1 830 . 1 1 67 67 LYS N N 15 121.9 0.2 . 1 . . . . 67 LYS N . 6564 1 831 . 1 1 68 68 SER H H 1 8.29 0.01 . 1 . . . . 68 SER H . 6564 1 832 . 1 1 68 68 SER HA H 1 4.39 0.01 . 1 . . . . 68 SER HA . 6564 1 833 . 1 1 68 68 SER HB2 H 1 3.98 0.01 . 2 . . . . 68 SER HB2 . 6564 1 834 . 1 1 68 68 SER HB3 H 1 4.12 0.01 . 2 . . . . 68 SER HB3 . 6564 1 835 . 1 1 68 68 SER CA C 13 61.9 0.2 . 1 . . . . 68 SER CA . 6564 1 836 . 1 1 68 68 SER CB C 13 63.1 0.2 . 1 . . . . 68 SER CB . 6564 1 837 . 1 1 68 68 SER N N 15 115.4 0.2 . 1 . . . . 68 SER N . 6564 1 838 . 1 1 69 69 LEU H H 1 8.46 0.01 . 1 . . . . 69 LEU H . 6564 1 839 . 1 1 69 69 LEU HA H 1 4.22 0.01 . 1 . . . . 69 LEU HA . 6564 1 840 . 1 1 69 69 LEU HB2 H 1 1.67 0.01 . 2 . . . . 69 LEU HB2 . 6564 1 841 . 1 1 69 69 LEU HB3 H 1 1.95 0.01 . 2 . . . . 69 LEU HB3 . 6564 1 842 . 1 1 69 69 LEU HG H 1 1.88 0.01 . 1 . . . . 69 LEU HG . 6564 1 843 . 1 1 69 69 LEU HD11 H 1 0.91 0.01 . 2 . . . . 69 LEU HD1 . 6564 1 844 . 1 1 69 69 LEU HD12 H 1 0.91 0.01 . 2 . . . . 69 LEU HD1 . 6564 1 845 . 1 1 69 69 LEU HD13 H 1 0.91 0.01 . 2 . . . . 69 LEU HD1 . 6564 1 846 . 1 1 69 69 LEU HD21 H 1 0.92 0.01 . 2 . . . . 69 LEU HD2 . 6564 1 847 . 1 1 69 69 LEU HD22 H 1 0.92 0.01 . 2 . . . . 69 LEU HD2 . 6564 1 848 . 1 1 69 69 LEU HD23 H 1 0.92 0.01 . 2 . . . . 69 LEU HD2 . 6564 1 849 . 1 1 69 69 LEU CA C 13 58.0 0.2 . 1 . . . . 69 LEU CA . 6564 1 850 . 1 1 69 69 LEU CB C 13 41.7 0.2 . 1 . . . . 69 LEU CB . 6564 1 851 . 1 1 69 69 LEU CG C 13 26.6 0.2 . 1 . . . . 69 LEU CG . 6564 1 852 . 1 1 69 69 LEU CD1 C 13 24.3 0.2 . 2 . . . . 69 LEU CD1 . 6564 1 853 . 1 1 69 69 LEU CD2 C 13 25.8 0.2 . 2 . . . . 69 LEU CD2 . 6564 1 854 . 1 1 69 69 LEU N N 15 122.4 0.2 . 1 . . . . 69 LEU N . 6564 1 855 . 1 1 70 70 SER H H 1 8.43 0.01 . 1 . . . . 70 SER H . 6564 1 856 . 1 1 70 70 SER HA H 1 4.38 0.01 . 1 . . . . 70 SER HA . 6564 1 857 . 1 1 70 70 SER HB2 H 1 4.11 0.01 . 1 . . . . 70 SER HB2 . 6564 1 858 . 1 1 70 70 SER HB3 H 1 4.11 0.01 . 1 . . . . 70 SER HB3 . 6564 1 859 . 1 1 70 70 SER CA C 13 61.5 0.2 . 1 . . . . 70 SER CA . 6564 1 860 . 1 1 70 70 SER CB C 13 62.8 0.2 . 1 . . . . 70 SER CB . 6564 1 861 . 1 1 70 70 SER N N 15 117.1 0.2 . 1 . . . . 70 SER N . 6564 1 862 . 1 1 71 71 ASP H H 1 8.45 0.01 . 1 . . . . 71 ASP H . 6564 1 863 . 1 1 71 71 ASP HA H 1 4.52 0.01 . 1 . . . . 71 ASP HA . 6564 1 864 . 1 1 71 71 ASP HB2 H 1 2.75 0.01 . 2 . . . . 71 ASP HB2 . 6564 1 865 . 1 1 71 71 ASP HB3 H 1 2.93 0.01 . 2 . . . . 71 ASP HB3 . 6564 1 866 . 1 1 71 71 ASP CA C 13 57.3 0.2 . 1 . . . . 71 ASP CA . 6564 1 867 . 1 1 71 71 ASP CB C 13 40.3 0.2 . 1 . . . . 71 ASP CB . 6564 1 868 . 1 1 71 71 ASP N N 15 122.6 0.2 . 1 . . . . 71 ASP N . 6564 1 869 . 1 1 72 72 MET H H 1 8.01 0.01 . 1 . . . . 72 MET H . 6564 1 870 . 1 1 72 72 MET HA H 1 4.23 0.01 . 1 . . . . 72 MET HA . 6564 1 871 . 1 1 72 72 MET HB2 H 1 2.39 0.01 . 2 . . . . 72 MET HB2 . 6564 1 872 . 1 1 72 72 MET HB3 H 1 2.44 0.01 . 2 . . . . 72 MET HB3 . 6564 1 873 . 1 1 72 72 MET HG2 H 1 2.52 0.01 . 2 . . . . 72 MET HG2 . 6564 1 874 . 1 1 72 72 MET HG3 H 1 2.78 0.01 . 2 . . . . 72 MET HG3 . 6564 1 875 . 1 1 72 72 MET HE1 H 1 2.10 0.01 . 1 . . . . 72 MET HE . 6564 1 876 . 1 1 72 72 MET HE2 H 1 2.10 0.01 . 1 . . . . 72 MET HE . 6564 1 877 . 1 1 72 72 MET HE3 H 1 2.10 0.01 . 1 . . . . 72 MET HE . 6564 1 878 . 1 1 72 72 MET CA C 13 59.2 0.2 . 1 . . . . 72 MET CA . 6564 1 879 . 1 1 72 72 MET CB C 13 32.8 0.2 . 1 . . . . 72 MET CB . 6564 1 880 . 1 1 72 72 MET CG C 13 31.6 0.2 . 1 . . . . 72 MET CG . 6564 1 881 . 1 1 72 72 MET CE C 13 17.1 0.2 . 1 . . . . 72 MET CE . 6564 1 882 . 1 1 72 72 MET N N 15 120.5 0.2 . 1 . . . . 72 MET N . 6564 1 883 . 1 1 73 73 THR H H 1 8.70 0.01 . 1 . . . . 73 THR H . 6564 1 884 . 1 1 73 73 THR HA H 1 3.85 0.01 . 1 . . . . 73 THR HA . 6564 1 885 . 1 1 73 73 THR HB H 1 4.46 0.01 . 1 . . . . 73 THR HB . 6564 1 886 . 1 1 73 73 THR HG21 H 1 1.42 0.01 . 1 . . . . 73 THR HG2 . 6564 1 887 . 1 1 73 73 THR HG22 H 1 1.42 0.01 . 1 . . . . 73 THR HG2 . 6564 1 888 . 1 1 73 73 THR HG23 H 1 1.42 0.01 . 1 . . . . 73 THR HG2 . 6564 1 889 . 1 1 73 73 THR CA C 13 66.0 0.2 . 1 . . . . 73 THR CA . 6564 1 890 . 1 1 73 73 THR CB C 13 68.5 0.2 . 1 . . . . 73 THR CB . 6564 1 891 . 1 1 73 73 THR CG2 C 13 22.2 0.2 . 1 . . . . 73 THR CG2 . 6564 1 892 . 1 1 73 73 THR N N 15 112.6 0.2 . 1 . . . . 73 THR N . 6564 1 893 . 1 1 74 74 ALA H H 1 7.81 0.01 . 1 . . . . 74 ALA H . 6564 1 894 . 1 1 74 74 ALA HA H 1 4.29 0.01 . 1 . . . . 74 ALA HA . 6564 1 895 . 1 1 74 74 ALA HB1 H 1 1.59 0.01 . 1 . . . . 74 ALA HB . 6564 1 896 . 1 1 74 74 ALA HB2 H 1 1.59 0.01 . 1 . . . . 74 ALA HB . 6564 1 897 . 1 1 74 74 ALA HB3 H 1 1.59 0.01 . 1 . . . . 74 ALA HB . 6564 1 898 . 1 1 74 74 ALA CA C 13 54.8 0.2 . 1 . . . . 74 ALA CA . 6564 1 899 . 1 1 74 74 ALA CB C 13 18.5 0.2 . 1 . . . . 74 ALA CB . 6564 1 900 . 1 1 74 74 ALA N N 15 124.2 0.2 . 1 . . . . 74 ALA N . 6564 1 901 . 1 1 75 75 LYS H H 1 7.94 0.01 . 1 . . . . 75 LYS H . 6564 1 902 . 1 1 75 75 LYS HA H 1 4.11 0.01 . 1 . . . . 75 LYS HA . 6564 1 903 . 1 1 75 75 LYS HB2 H 1 1.95 0.01 . 2 . . . . 75 LYS HB2 . 6564 1 904 . 1 1 75 75 LYS HB3 H 1 1.98 0.01 . 2 . . . . 75 LYS HB3 . 6564 1 905 . 1 1 75 75 LYS HG2 H 1 1.47 0.01 . 2 . . . . 75 LYS HG2 . 6564 1 906 . 1 1 75 75 LYS HG3 H 1 1.53 0.01 . 2 . . . . 75 LYS HG3 . 6564 1 907 . 1 1 75 75 LYS HD2 H 1 1.73 0.01 . 1 . . . . 75 LYS HD2 . 6564 1 908 . 1 1 75 75 LYS HD3 H 1 1.73 0.01 . 1 . . . . 75 LYS HD3 . 6564 1 909 . 1 1 75 75 LYS HE2 H 1 3.04 0.01 . 1 . . . . 75 LYS HE2 . 6564 1 910 . 1 1 75 75 LYS HE3 H 1 3.04 0.01 . 1 . . . . 75 LYS HE3 . 6564 1 911 . 1 1 75 75 LYS CA C 13 58.7 0.2 . 1 . . . . 75 LYS CA . 6564 1 912 . 1 1 75 75 LYS CB C 13 32.8 0.2 . 1 . . . . 75 LYS CB . 6564 1 913 . 1 1 75 75 LYS CG C 13 24.9 0.2 . 1 . . . . 75 LYS CG . 6564 1 914 . 1 1 75 75 LYS CD C 13 29.3 0.2 . 1 . . . . 75 LYS CD . 6564 1 915 . 1 1 75 75 LYS CE C 13 42.2 0.2 . 1 . . . . 75 LYS CE . 6564 1 916 . 1 1 75 75 LYS N N 15 118.9 0.2 . 1 . . . . 75 LYS N . 6564 1 917 . 1 1 76 76 GLU H H 1 7.88 0.01 . 1 . . . . 76 GLU H . 6564 1 918 . 1 1 76 76 GLU HA H 1 3.86 0.01 . 1 . . . . 76 GLU HA . 6564 1 919 . 1 1 76 76 GLU HB2 H 1 0.62 0.01 . 2 . . . . 76 GLU HB2 . 6564 1 920 . 1 1 76 76 GLU HB3 H 1 1.33 0.01 . 2 . . . . 76 GLU HB3 . 6564 1 921 . 1 1 76 76 GLU HG2 H 1 1.93 0.01 . 2 . . . . 76 GLU HG2 . 6564 1 922 . 1 1 76 76 GLU HG3 H 1 2.18 0.01 . 2 . . . . 76 GLU HG3 . 6564 1 923 . 1 1 76 76 GLU CA C 13 55.8 0.2 . 1 . . . . 76 GLU CA . 6564 1 924 . 1 1 76 76 GLU CB C 13 28.6 0.2 . 1 . . . . 76 GLU CB . 6564 1 925 . 1 1 76 76 GLU CG C 13 36.0 0.2 . 1 . . . . 76 GLU CG . 6564 1 926 . 1 1 76 76 GLU N N 15 115.7 0.2 . 1 . . . . 76 GLU N . 6564 1 927 . 1 1 77 77 LYS H H 1 7.64 0.01 . 1 . . . . 77 LYS H . 6564 1 928 . 1 1 77 77 LYS HA H 1 3.98 0.01 . 1 . . . . 77 LYS HA . 6564 1 929 . 1 1 77 77 LYS HB2 H 1 1.88 0.01 . 2 . . . . 77 LYS HB2 . 6564 1 930 . 1 1 77 77 LYS HB3 H 1 1.98 0.01 . 2 . . . . 77 LYS HB3 . 6564 1 931 . 1 1 77 77 LYS HG2 H 1 1.36 0.01 . 1 . . . . 77 LYS HG2 . 6564 1 932 . 1 1 77 77 LYS HG3 H 1 1.36 0.01 . 1 . . . . 77 LYS HG3 . 6564 1 933 . 1 1 77 77 LYS HD2 H 1 1.70 0.01 . 2 . . . . 77 LYS HD2 . 6564 1 934 . 1 1 77 77 LYS HD3 H 1 1.78 0.01 . 2 . . . . 77 LYS HD3 . 6564 1 935 . 1 1 77 77 LYS HE2 H 1 3.07 0.01 . 1 . . . . 77 LYS HE2 . 6564 1 936 . 1 1 77 77 LYS HE3 H 1 3.07 0.01 . 1 . . . . 77 LYS HE3 . 6564 1 937 . 1 1 77 77 LYS CA C 13 56.4 0.2 . 1 . . . . 77 LYS CA . 6564 1 938 . 1 1 77 77 LYS CB C 13 29.2 0.2 . 1 . . . . 77 LYS CB . 6564 1 939 . 1 1 77 77 LYS CG C 13 24.7 0.2 . 1 . . . . 77 LYS CG . 6564 1 940 . 1 1 77 77 LYS CD C 13 29.2 0.2 . 1 . . . . 77 LYS CD . 6564 1 941 . 1 1 77 77 LYS CE C 13 42.3 0.2 . 1 . . . . 77 LYS CE . 6564 1 942 . 1 1 77 77 LYS N N 15 115.3 0.2 . 1 . . . . 77 LYS N . 6564 1 943 . 1 1 78 78 PHE H H 1 7.43 0.01 . 1 . . . . 78 PHE H . 6564 1 944 . 1 1 78 78 PHE HA H 1 4.90 0.01 . 1 . . . . 78 PHE HA . 6564 1 945 . 1 1 78 78 PHE HB2 H 1 2.86 0.01 . 2 . . . . 78 PHE HB2 . 6564 1 946 . 1 1 78 78 PHE HB3 H 1 3.22 0.01 . 2 . . . . 78 PHE HB3 . 6564 1 947 . 1 1 78 78 PHE HD1 H 1 7.18 0.01 . 1 . . . . 78 PHE HD1 . 6564 1 948 . 1 1 78 78 PHE HD2 H 1 7.18 0.01 . 1 . . . . 78 PHE HD2 . 6564 1 949 . 1 1 78 78 PHE HE1 H 1 7.26 0.01 . 1 . . . . 78 PHE HE1 . 6564 1 950 . 1 1 78 78 PHE HE2 H 1 7.26 0.01 . 1 . . . . 78 PHE HE2 . 6564 1 951 . 1 1 78 78 PHE HZ H 1 6.99 0.01 . 1 . . . . 78 PHE HZ . 6564 1 952 . 1 1 78 78 PHE CA C 13 55.7 0.2 . 1 . . . . 78 PHE CA . 6564 1 953 . 1 1 78 78 PHE CB C 13 39.8 0.2 . 1 . . . . 78 PHE CB . 6564 1 954 . 1 1 78 78 PHE CD1 C 13 129.9 0.2 . 1 . . . . 78 PHE CD1 . 6564 1 955 . 1 1 78 78 PHE CD2 C 13 129.9 0.2 . 1 . . . . 78 PHE CD2 . 6564 1 956 . 1 1 78 78 PHE CE1 C 13 131.7 0.2 . 1 . . . . 78 PHE CE1 . 6564 1 957 . 1 1 78 78 PHE CE2 C 13 131.7 0.2 . 1 . . . . 78 PHE CE2 . 6564 1 958 . 1 1 78 78 PHE CZ C 13 129.7 0.2 . 1 . . . . 78 PHE CZ . 6564 1 959 . 1 1 78 78 PHE N N 15 116.8 0.2 . 1 . . . . 78 PHE N . 6564 1 960 . 1 1 79 79 SER H H 1 10.16 0.01 . 1 . . . . 79 SER H . 6564 1 961 . 1 1 79 79 SER HA H 1 4.22 0.01 . 1 . . . . 79 SER HA . 6564 1 962 . 1 1 79 79 SER HB2 H 1 4.67 0.01 . 1 . . . . 79 SER HB2 . 6564 1 963 . 1 1 79 79 SER HB3 H 1 4.67 0.01 . 1 . . . . 79 SER HB3 . 6564 1 964 . 1 1 79 79 SER CA C 13 57.8 0.2 . 1 . . . . 79 SER CA . 6564 1 965 . 1 1 79 79 SER CB C 13 60.1 0.2 . 1 . . . . 79 SER CB . 6564 1 966 . 1 1 79 79 SER N N 15 119.4 0.2 . 1 . . . . 79 SER N . 6564 1 967 . 1 1 80 80 PRO HA H 1 4.42 0.01 . 1 . . . . 80 PRO HA . 6564 1 968 . 1 1 80 80 PRO HB2 H 1 2.03 0.01 . 2 . . . . 80 PRO HB2 . 6564 1 969 . 1 1 80 80 PRO HB3 H 1 2.46 0.01 . 2 . . . . 80 PRO HB3 . 6564 1 970 . 1 1 80 80 PRO HG2 H 1 2.25 0.01 . 1 . . . . 80 PRO HG2 . 6564 1 971 . 1 1 80 80 PRO HG3 H 1 2.25 0.01 . 1 . . . . 80 PRO HG3 . 6564 1 972 . 1 1 80 80 PRO HD2 H 1 4.01 0.01 . 2 . . . . 80 PRO HD2 . 6564 1 973 . 1 1 80 80 PRO HD3 H 1 4.04 0.01 . 2 . . . . 80 PRO HD3 . 6564 1 974 . 1 1 80 80 PRO CA C 13 65.3 0.2 . 1 . . . . 80 PRO CA . 6564 1 975 . 1 1 80 80 PRO CB C 13 31.9 0.2 . 1 . . . . 80 PRO CB . 6564 1 976 . 1 1 80 80 PRO CG C 13 27.9 0.2 . 1 . . . . 80 PRO CG . 6564 1 977 . 1 1 80 80 PRO CD C 13 50.9 0.2 . 1 . . . . 80 PRO CD . 6564 1 978 . 1 1 81 81 LEU H H 1 5.72 0.01 . 1 . . . . 81 LEU H . 6564 1 979 . 1 1 81 81 LEU HA H 1 4.03 0.01 . 1 . . . . 81 LEU HA . 6564 1 980 . 1 1 81 81 LEU HB2 H 1 1.27 0.01 . 2 . . . . 81 LEU HB2 . 6564 1 981 . 1 1 81 81 LEU HB3 H 1 1.75 0.01 . 2 . . . . 81 LEU HB3 . 6564 1 982 . 1 1 81 81 LEU HG H 1 1.81 0.01 . 1 . . . . 81 LEU HG . 6564 1 983 . 1 1 81 81 LEU HD11 H 1 0.80 0.01 . 2 . . . . 81 LEU HD1 . 6564 1 984 . 1 1 81 81 LEU HD12 H 1 0.80 0.01 . 2 . . . . 81 LEU HD1 . 6564 1 985 . 1 1 81 81 LEU HD13 H 1 0.80 0.01 . 2 . . . . 81 LEU HD1 . 6564 1 986 . 1 1 81 81 LEU HD21 H 1 0.86 0.01 . 2 . . . . 81 LEU HD2 . 6564 1 987 . 1 1 81 81 LEU HD22 H 1 0.86 0.01 . 2 . . . . 81 LEU HD2 . 6564 1 988 . 1 1 81 81 LEU HD23 H 1 0.86 0.01 . 2 . . . . 81 LEU HD2 . 6564 1 989 . 1 1 81 81 LEU CA C 13 58.0 0.2 . 1 . . . . 81 LEU CA . 6564 1 990 . 1 1 81 81 LEU CB C 13 42.2 0.2 . 1 . . . . 81 LEU CB . 6564 1 991 . 1 1 81 81 LEU CG C 13 27.1 0.2 . 1 . . . . 81 LEU CG . 6564 1 992 . 1 1 81 81 LEU CD1 C 13 25.8 0.2 . 2 . . . . 81 LEU CD1 . 6564 1 993 . 1 1 81 81 LEU CD2 C 13 24.0 0.2 . 2 . . . . 81 LEU CD2 . 6564 1 994 . 1 1 82 82 THR H H 1 7.29 0.01 . 1 . . . . 82 THR H . 6564 1 995 . 1 1 82 82 THR HA H 1 3.61 0.01 . 1 . . . . 82 THR HA . 6564 1 996 . 1 1 82 82 THR HB H 1 3.84 0.01 . 1 . . . . 82 THR HB . 6564 1 997 . 1 1 82 82 THR HG21 H 1 0.51 0.01 . 1 . . . . 82 THR HG2 . 6564 1 998 . 1 1 82 82 THR HG22 H 1 0.51 0.01 . 1 . . . . 82 THR HG2 . 6564 1 999 . 1 1 82 82 THR HG23 H 1 0.51 0.01 . 1 . . . . 82 THR HG2 . 6564 1 1000 . 1 1 82 82 THR CA C 13 66.3 0.2 . 1 . . . . 82 THR CA . 6564 1 1001 . 1 1 82 82 THR CB C 13 67.6 0.2 . 1 . . . . 82 THR CB . 6564 1 1002 . 1 1 82 82 THR CG2 C 13 23.0 0.2 . 1 . . . . 82 THR CG2 . 6564 1 1003 . 1 1 82 82 THR N N 15 118.1 0.2 . 1 . . . . 82 THR N . 6564 1 1004 . 1 1 83 83 SER H H 1 8.70 0.01 . 1 . . . . 83 SER H . 6564 1 1005 . 1 1 83 83 SER HA H 1 3.95 0.01 . 1 . . . . 83 SER HA . 6564 1 1006 . 1 1 83 83 SER HB2 H 1 3.87 0.01 . 1 . . . . 83 SER HB2 . 6564 1 1007 . 1 1 83 83 SER HB3 H 1 3.87 0.01 . 1 . . . . 83 SER HB3 . 6564 1 1008 . 1 1 83 83 SER CA C 13 62.6 0.2 . 1 . . . . 83 SER CA . 6564 1 1009 . 1 1 83 83 SER CB C 13 62.7 0.2 . 1 . . . . 83 SER CB . 6564 1 1010 . 1 1 83 83 SER N N 15 116.8 0.2 . 1 . . . . 83 SER N . 6564 1 1011 . 1 1 84 84 ASN H H 1 8.78 0.01 . 1 . . . . 84 ASN H . 6564 1 1012 . 1 1 84 84 ASN HA H 1 4.51 0.01 . 1 . . . . 84 ASN HA . 6564 1 1013 . 1 1 84 84 ASN HB2 H 1 2.78 0.01 . 2 . . . . 84 ASN HB2 . 6564 1 1014 . 1 1 84 84 ASN HB3 H 1 3.03 0.01 . 2 . . . . 84 ASN HB3 . 6564 1 1015 . 1 1 84 84 ASN HD21 H 1 6.97 0.01 . 2 . . . . 84 ASN HD21 . 6564 1 1016 . 1 1 84 84 ASN HD22 H 1 7.68 0.01 . 2 . . . . 84 ASN HD22 . 6564 1 1017 . 1 1 84 84 ASN CA C 13 56.0 0.2 . 1 . . . . 84 ASN CA . 6564 1 1018 . 1 1 84 84 ASN CB C 13 37.9 0.2 . 1 . . . . 84 ASN CB . 6564 1 1019 . 1 1 84 84 ASN N N 15 119.1 0.2 . 1 . . . . 84 ASN N . 6564 1 1020 . 1 1 84 84 ASN ND2 N 15 112.6 0.2 . 1 . . . . 84 ASN ND2 . 6564 1 1021 . 1 1 85 85 LEU H H 1 7.23 0.01 . 1 . . . . 85 LEU H . 6564 1 1022 . 1 1 85 85 LEU HA H 1 4.21 0.01 . 1 . . . . 85 LEU HA . 6564 1 1023 . 1 1 85 85 LEU HB2 H 1 1.69 0.01 . 2 . . . . 85 LEU HB2 . 6564 1 1024 . 1 1 85 85 LEU HB3 H 1 2.10 0.01 . 2 . . . . 85 LEU HB3 . 6564 1 1025 . 1 1 85 85 LEU HG H 1 1.56 0.01 . 1 . . . . 85 LEU HG . 6564 1 1026 . 1 1 85 85 LEU HD11 H 1 0.88 0.01 . 2 . . . . 85 LEU HD1 . 6564 1 1027 . 1 1 85 85 LEU HD12 H 1 0.88 0.01 . 2 . . . . 85 LEU HD1 . 6564 1 1028 . 1 1 85 85 LEU HD13 H 1 0.88 0.01 . 2 . . . . 85 LEU HD1 . 6564 1 1029 . 1 1 85 85 LEU HD21 H 1 0.92 0.01 . 2 . . . . 85 LEU HD2 . 6564 1 1030 . 1 1 85 85 LEU HD22 H 1 0.92 0.01 . 2 . . . . 85 LEU HD2 . 6564 1 1031 . 1 1 85 85 LEU HD23 H 1 0.92 0.01 . 2 . . . . 85 LEU HD2 . 6564 1 1032 . 1 1 85 85 LEU CA C 13 58.1 0.2 . 1 . . . . 85 LEU CA . 6564 1 1033 . 1 1 85 85 LEU CB C 13 40.7 0.2 . 1 . . . . 85 LEU CB . 6564 1 1034 . 1 1 85 85 LEU CG C 13 27.2 0.2 . 1 . . . . 85 LEU CG . 6564 1 1035 . 1 1 85 85 LEU CD1 C 13 25.9 0.2 . 2 . . . . 85 LEU CD1 . 6564 1 1036 . 1 1 85 85 LEU CD2 C 13 23.5 0.2 . 2 . . . . 85 LEU CD2 . 6564 1 1037 . 1 1 85 85 LEU N N 15 121.5 0.2 . 1 . . . . 85 LEU N . 6564 1 1038 . 1 1 86 86 ILE H H 1 8.08 0.01 . 1 . . . . 86 ILE H . 6564 1 1039 . 1 1 86 86 ILE HA H 1 3.63 0.01 . 1 . . . . 86 ILE HA . 6564 1 1040 . 1 1 86 86 ILE HB H 1 1.99 0.01 . 1 . . . . 86 ILE HB . 6564 1 1041 . 1 1 86 86 ILE HG12 H 1 1.37 0.01 . 2 . . . . 86 ILE HG12 . 6564 1 1042 . 1 1 86 86 ILE HG13 H 1 1.49 0.01 . 2 . . . . 86 ILE HG13 . 6564 1 1043 . 1 1 86 86 ILE HG21 H 1 0.91 0.01 . 1 . . . . 86 ILE HG2 . 6564 1 1044 . 1 1 86 86 ILE HG22 H 1 0.91 0.01 . 1 . . . . 86 ILE HG2 . 6564 1 1045 . 1 1 86 86 ILE HG23 H 1 0.91 0.01 . 1 . . . . 86 ILE HG2 . 6564 1 1046 . 1 1 86 86 ILE HD11 H 1 0.69 0.01 . 1 . . . . 86 ILE HD1 . 6564 1 1047 . 1 1 86 86 ILE HD12 H 1 0.69 0.01 . 1 . . . . 86 ILE HD1 . 6564 1 1048 . 1 1 86 86 ILE HD13 H 1 0.69 0.01 . 1 . . . . 86 ILE HD1 . 6564 1 1049 . 1 1 86 86 ILE CA C 13 64.7 0.2 . 1 . . . . 86 ILE CA . 6564 1 1050 . 1 1 86 86 ILE CB C 13 36.7 0.2 . 1 . . . . 86 ILE CB . 6564 1 1051 . 1 1 86 86 ILE CG1 C 13 27.5 0.2 . 1 . . . . 86 ILE CG1 . 6564 1 1052 . 1 1 86 86 ILE CG2 C 13 18.1 0.2 . 1 . . . . 86 ILE CG2 . 6564 1 1053 . 1 1 86 86 ILE CD1 C 13 12.4 0.2 . 1 . . . . 86 ILE CD1 . 6564 1 1054 . 1 1 86 86 ILE N N 15 116.9 0.2 . 1 . . . . 86 ILE N . 6564 1 1055 . 1 1 87 87 ASN H H 1 8.05 0.01 . 1 . . . . 87 ASN H . 6564 1 1056 . 1 1 87 87 ASN HA H 1 4.43 0.01 . 1 . . . . 87 ASN HA . 6564 1 1057 . 1 1 87 87 ASN HB2 H 1 2.83 0.01 . 2 . . . . 87 ASN HB2 . 6564 1 1058 . 1 1 87 87 ASN HB3 H 1 2.89 0.01 . 2 . . . . 87 ASN HB3 . 6564 1 1059 . 1 1 87 87 ASN HD21 H 1 6.85 0.01 . 2 . . . . 87 ASN HD21 . 6564 1 1060 . 1 1 87 87 ASN HD22 H 1 7.58 0.01 . 2 . . . . 87 ASN HD22 . 6564 1 1061 . 1 1 87 87 ASN CA C 13 57.0 0.2 . 1 . . . . 87 ASN CA . 6564 1 1062 . 1 1 87 87 ASN CB C 13 38.7 0.2 . 1 . . . . 87 ASN CB . 6564 1 1063 . 1 1 87 87 ASN N N 15 117.9 0.2 . 1 . . . . 87 ASN N . 6564 1 1064 . 1 1 87 87 ASN ND2 N 15 111.8 0.2 . 1 . . . . 87 ASN ND2 . 6564 1 1065 . 1 1 88 88 LEU H H 1 8.14 0.01 . 1 . . . . 88 LEU H . 6564 1 1066 . 1 1 88 88 LEU HA H 1 4.17 0.01 . 1 . . . . 88 LEU HA . 6564 1 1067 . 1 1 88 88 LEU HB2 H 1 1.81 0.01 . 2 . . . . 88 LEU HB2 . 6564 1 1068 . 1 1 88 88 LEU HB3 H 1 1.90 0.01 . 2 . . . . 88 LEU HB3 . 6564 1 1069 . 1 1 88 88 LEU HG H 1 1.63 0.01 . 1 . . . . 88 LEU HG . 6564 1 1070 . 1 1 88 88 LEU HD11 H 1 0.81 0.01 . 2 . . . . 88 LEU HD1 . 6564 1 1071 . 1 1 88 88 LEU HD12 H 1 0.81 0.01 . 2 . . . . 88 LEU HD1 . 6564 1 1072 . 1 1 88 88 LEU HD13 H 1 0.81 0.01 . 2 . . . . 88 LEU HD1 . 6564 1 1073 . 1 1 88 88 LEU HD21 H 1 0.92 0.01 . 2 . . . . 88 LEU HD2 . 6564 1 1074 . 1 1 88 88 LEU HD22 H 1 0.92 0.01 . 2 . . . . 88 LEU HD2 . 6564 1 1075 . 1 1 88 88 LEU HD23 H 1 0.92 0.01 . 2 . . . . 88 LEU HD2 . 6564 1 1076 . 1 1 88 88 LEU CA C 13 58.3 0.2 . 1 . . . . 88 LEU CA . 6564 1 1077 . 1 1 88 88 LEU CB C 13 42.1 0.2 . 1 . . . . 88 LEU CB . 6564 1 1078 . 1 1 88 88 LEU CG C 13 27.0 0.2 . 1 . . . . 88 LEU CG . 6564 1 1079 . 1 1 88 88 LEU CD1 C 13 25.0 0.2 . 2 . . . . 88 LEU CD1 . 6564 1 1080 . 1 1 88 88 LEU N N 15 122.7 0.2 . 1 . . . . 88 LEU N . 6564 1 1081 . 1 1 89 89 LEU H H 1 8.41 0.01 . 1 . . . . 89 LEU H . 6564 1 1082 . 1 1 89 89 LEU HA H 1 3.82 0.01 . 1 . . . . 89 LEU HA . 6564 1 1083 . 1 1 89 89 LEU HB2 H 1 0.87 0.01 . 2 . . . . 89 LEU HB2 . 6564 1 1084 . 1 1 89 89 LEU HB3 H 1 1.99 0.01 . 2 . . . . 89 LEU HB3 . 6564 1 1085 . 1 1 89 89 LEU HG H 1 1.70 0.01 . 1 . . . . 89 LEU HG . 6564 1 1086 . 1 1 89 89 LEU HD11 H 1 0.38 0.01 . 2 . . . . 89 LEU HD1 . 6564 1 1087 . 1 1 89 89 LEU HD12 H 1 0.38 0.01 . 2 . . . . 89 LEU HD1 . 6564 1 1088 . 1 1 89 89 LEU HD13 H 1 0.38 0.01 . 2 . . . . 89 LEU HD1 . 6564 1 1089 . 1 1 89 89 LEU HD21 H 1 0.79 0.01 . 2 . . . . 89 LEU HD2 . 6564 1 1090 . 1 1 89 89 LEU HD22 H 1 0.79 0.01 . 2 . . . . 89 LEU HD2 . 6564 1 1091 . 1 1 89 89 LEU HD23 H 1 0.79 0.01 . 2 . . . . 89 LEU HD2 . 6564 1 1092 . 1 1 89 89 LEU CA C 13 58.3 0.2 . 1 . . . . 89 LEU CA . 6564 1 1093 . 1 1 89 89 LEU CB C 13 41.4 0.2 . 1 . . . . 89 LEU CB . 6564 1 1094 . 1 1 89 89 LEU CG C 13 26.9 0.2 . 1 . . . . 89 LEU CG . 6564 1 1095 . 1 1 89 89 LEU CD1 C 13 22.3 0.2 . 2 . . . . 89 LEU CD1 . 6564 1 1096 . 1 1 89 89 LEU CD2 C 13 27.2 0.2 . 2 . . . . 89 LEU CD2 . 6564 1 1097 . 1 1 89 89 LEU N N 15 119.0 0.2 . 1 . . . . 89 LEU N . 6564 1 1098 . 1 1 90 90 ALA H H 1 8.34 0.01 . 1 . . . . 90 ALA H . 6564 1 1099 . 1 1 90 90 ALA HA H 1 4.16 0.01 . 1 . . . . 90 ALA HA . 6564 1 1100 . 1 1 90 90 ALA HB1 H 1 1.57 0.01 . 1 . . . . 90 ALA HB . 6564 1 1101 . 1 1 90 90 ALA HB2 H 1 1.57 0.01 . 1 . . . . 90 ALA HB . 6564 1 1102 . 1 1 90 90 ALA HB3 H 1 1.57 0.01 . 1 . . . . 90 ALA HB . 6564 1 1103 . 1 1 90 90 ALA CA C 13 55.4 0.2 . 1 . . . . 90 ALA CA . 6564 1 1104 . 1 1 90 90 ALA CB C 13 18.7 0.2 . 1 . . . . 90 ALA CB . 6564 1 1105 . 1 1 90 90 ALA N N 15 120.9 0.2 . 1 . . . . 90 ALA N . 6564 1 1106 . 1 1 91 91 GLU H H 1 8.79 0.01 . 1 . . . . 91 GLU H . 6564 1 1107 . 1 1 91 91 GLU HA H 1 4.07 0.01 . 1 . . . . 91 GLU HA . 6564 1 1108 . 1 1 91 91 GLU HB2 H 1 2.15 0.01 . 2 . . . . 91 GLU HB2 . 6564 1 1109 . 1 1 91 91 GLU HB3 H 1 2.22 0.01 . 2 . . . . 91 GLU HB3 . 6564 1 1110 . 1 1 91 91 GLU HG2 H 1 2.37 0.01 . 2 . . . . 91 GLU HG2 . 6564 1 1111 . 1 1 91 91 GLU HG3 H 1 2.44 0.01 . 2 . . . . 91 GLU HG3 . 6564 1 1112 . 1 1 91 91 GLU CA C 13 59.2 0.2 . 1 . . . . 91 GLU CA . 6564 1 1113 . 1 1 91 91 GLU CB C 13 29.7 0.2 . 1 . . . . 91 GLU CB . 6564 1 1114 . 1 1 91 91 GLU CG C 13 36.2 0.2 . 1 . . . . 91 GLU CG . 6564 1 1115 . 1 1 91 91 GLU N N 15 119.7 0.2 . 1 . . . . 91 GLU N . 6564 1 1116 . 1 1 92 92 ASN H H 1 7.80 0.01 . 1 . . . . 92 ASN H . 6564 1 1117 . 1 1 92 92 ASN HA H 1 4.92 0.01 . 1 . . . . 92 ASN HA . 6564 1 1118 . 1 1 92 92 ASN HB2 H 1 2.74 0.01 . 2 . . . . 92 ASN HB2 . 6564 1 1119 . 1 1 92 92 ASN HB3 H 1 3.07 0.01 . 2 . . . . 92 ASN HB3 . 6564 1 1120 . 1 1 92 92 ASN HD21 H 1 7.21 0.01 . 2 . . . . 92 ASN HD21 . 6564 1 1121 . 1 1 92 92 ASN HD22 H 1 7.66 0.01 . 2 . . . . 92 ASN HD22 . 6564 1 1122 . 1 1 92 92 ASN CA C 13 53.3 0.2 . 1 . . . . 92 ASN CA . 6564 1 1123 . 1 1 92 92 ASN CB C 13 39.7 0.2 . 1 . . . . 92 ASN CB . 6564 1 1124 . 1 1 92 92 ASN N N 15 113.6 0.2 . 1 . . . . 92 ASN N . 6564 1 1125 . 1 1 92 92 ASN ND2 N 15 113.0 0.2 . 1 . . . . 92 ASN ND2 . 6564 1 1126 . 1 1 93 93 GLY H H 1 7.87 0.01 . 1 . . . . 93 GLY H . 6564 1 1127 . 1 1 93 93 GLY HA2 H 1 4.11 0.01 . 2 . . . . 93 GLY HA2 . 6564 1 1128 . 1 1 93 93 GLY HA3 H 1 4.29 0.01 . 2 . . . . 93 GLY HA3 . 6564 1 1129 . 1 1 93 93 GLY CA C 13 47.6 0.2 . 1 . . . . 93 GLY CA . 6564 1 1130 . 1 1 93 93 GLY N N 15 108.8 0.2 . 1 . . . . 93 GLY N . 6564 1 1131 . 1 1 94 94 ARG H H 1 8.67 0.01 . 1 . . . . 94 ARG H . 6564 1 1132 . 1 1 94 94 ARG HA H 1 4.80 0.01 . 1 . . . . 94 ARG HA . 6564 1 1133 . 1 1 94 94 ARG HB2 H 1 1.47 0.01 . 2 . . . . 94 ARG HB2 . 6564 1 1134 . 1 1 94 94 ARG HB3 H 1 2.42 0.01 . 2 . . . . 94 ARG HB3 . 6564 1 1135 . 1 1 94 94 ARG HG2 H 1 1.58 0.01 . 2 . . . . 94 ARG HG2 . 6564 1 1136 . 1 1 94 94 ARG HG3 H 1 1.71 0.01 . 2 . . . . 94 ARG HG3 . 6564 1 1137 . 1 1 94 94 ARG HD2 H 1 3.19 0.01 . 2 . . . . 94 ARG HD2 . 6564 1 1138 . 1 1 94 94 ARG HD3 H 1 3.23 0.01 . 2 . . . . 94 ARG HD3 . 6564 1 1139 . 1 1 94 94 ARG CA C 13 54.7 0.2 . 1 . . . . 94 ARG CA . 6564 1 1140 . 1 1 94 94 ARG CB C 13 31.5 0.2 . 1 . . . . 94 ARG CB . 6564 1 1141 . 1 1 94 94 ARG CG C 13 27.3 0.2 . 1 . . . . 94 ARG CG . 6564 1 1142 . 1 1 94 94 ARG CD C 13 43.2 0.2 . 1 . . . . 94 ARG CD . 6564 1 1143 . 1 1 94 94 ARG N N 15 117.1 0.2 . 1 . . . . 94 ARG N . 6564 1 1144 . 1 1 95 95 LEU H H 1 8.57 0.01 . 1 . . . . 95 LEU H . 6564 1 1145 . 1 1 95 95 LEU HA H 1 3.97 0.01 . 1 . . . . 95 LEU HA . 6564 1 1146 . 1 1 95 95 LEU HB2 H 1 1.56 0.01 . 2 . . . . 95 LEU HB2 . 6564 1 1147 . 1 1 95 95 LEU HB3 H 1 1.85 0.01 . 2 . . . . 95 LEU HB3 . 6564 1 1148 . 1 1 95 95 LEU HG H 1 1.60 0.01 . 1 . . . . 95 LEU HG . 6564 1 1149 . 1 1 95 95 LEU HD11 H 1 0.94 0.01 . 2 . . . . 95 LEU HD1 . 6564 1 1150 . 1 1 95 95 LEU HD12 H 1 0.94 0.01 . 2 . . . . 95 LEU HD1 . 6564 1 1151 . 1 1 95 95 LEU HD13 H 1 0.94 0.01 . 2 . . . . 95 LEU HD1 . 6564 1 1152 . 1 1 95 95 LEU HD21 H 1 1.04 0.01 . 2 . . . . 95 LEU HD2 . 6564 1 1153 . 1 1 95 95 LEU HD22 H 1 1.04 0.01 . 2 . . . . 95 LEU HD2 . 6564 1 1154 . 1 1 95 95 LEU HD23 H 1 1.04 0.01 . 2 . . . . 95 LEU HD2 . 6564 1 1155 . 1 1 95 95 LEU CA C 13 58.3 0.2 . 1 . . . . 95 LEU CA . 6564 1 1156 . 1 1 95 95 LEU CB C 13 41.9 0.2 . 1 . . . . 95 LEU CB . 6564 1 1157 . 1 1 95 95 LEU CG C 13 27.4 0.2 . 1 . . . . 95 LEU CG . 6564 1 1158 . 1 1 95 95 LEU CD1 C 13 24.6 0.2 . 2 . . . . 95 LEU CD1 . 6564 1 1159 . 1 1 95 95 LEU CD2 C 13 25.4 0.2 . 2 . . . . 95 LEU CD2 . 6564 1 1160 . 1 1 95 95 LEU N N 15 122.9 0.2 . 1 . . . . 95 LEU N . 6564 1 1161 . 1 1 96 96 THR H H 1 5.70 0.01 . 1 . . . . 96 THR H . 6564 1 1162 . 1 1 96 96 THR HA H 1 4.10 0.01 . 1 . . . . 96 THR HA . 6564 1 1163 . 1 1 96 96 THR HB H 1 4.34 0.01 . 1 . . . . 96 THR HB . 6564 1 1164 . 1 1 96 96 THR HG21 H 1 1.35 0.01 . 1 . . . . 96 THR HG2 . 6564 1 1165 . 1 1 96 96 THR HG22 H 1 1.35 0.01 . 1 . . . . 96 THR HG2 . 6564 1 1166 . 1 1 96 96 THR HG23 H 1 1.35 0.01 . 1 . . . . 96 THR HG2 . 6564 1 1167 . 1 1 96 96 THR CA C 13 64.6 0.2 . 1 . . . . 96 THR CA . 6564 1 1168 . 1 1 96 96 THR CB C 13 68.6 0.2 . 1 . . . . 96 THR CB . 6564 1 1169 . 1 1 96 96 THR CG2 C 13 22.3 0.2 . 1 . . . . 96 THR CG2 . 6564 1 1170 . 1 1 97 97 ASN H H 1 7.92 0.01 . 1 . . . . 97 ASN H . 6564 1 1171 . 1 1 97 97 ASN HA H 1 5.15 0.01 . 1 . . . . 97 ASN HA . 6564 1 1172 . 1 1 97 97 ASN HB2 H 1 2.83 0.01 . 2 . . . . 97 ASN HB2 . 6564 1 1173 . 1 1 97 97 ASN HB3 H 1 3.16 0.01 . 2 . . . . 97 ASN HB3 . 6564 1 1174 . 1 1 97 97 ASN HD21 H 1 7.01 0.01 . 2 . . . . 97 ASN HD21 . 6564 1 1175 . 1 1 97 97 ASN HD22 H 1 7.81 0.01 . 2 . . . . 97 ASN HD22 . 6564 1 1176 . 1 1 97 97 ASN CA C 13 53.3 0.2 . 1 . . . . 97 ASN CA . 6564 1 1177 . 1 1 97 97 ASN CB C 13 38.6 0.2 . 1 . . . . 97 ASN CB . 6564 1 1178 . 1 1 97 97 ASN N N 15 117.6 0.2 . 1 . . . . 97 ASN N . 6564 1 1179 . 1 1 97 97 ASN ND2 N 15 110.7 0.2 . 1 . . . . 97 ASN ND2 . 6564 1 1180 . 1 1 98 98 THR H H 1 7.79 0.01 . 1 . . . . 98 THR H . 6564 1 1181 . 1 1 98 98 THR HA H 1 3.75 0.01 . 1 . . . . 98 THR HA . 6564 1 1182 . 1 1 98 98 THR HB H 1 4.09 0.01 . 1 . . . . 98 THR HB . 6564 1 1183 . 1 1 98 98 THR HG21 H 1 1.02 0.01 . 1 . . . . 98 THR HG2 . 6564 1 1184 . 1 1 98 98 THR HG22 H 1 1.02 0.01 . 1 . . . . 98 THR HG2 . 6564 1 1185 . 1 1 98 98 THR HG23 H 1 1.02 0.01 . 1 . . . . 98 THR HG2 . 6564 1 1186 . 1 1 98 98 THR CA C 13 69.8 0.2 . 1 . . . . 98 THR CA . 6564 1 1187 . 1 1 98 98 THR CB C 13 65.7 0.2 . 1 . . . . 98 THR CB . 6564 1 1188 . 1 1 98 98 THR CG2 C 13 22.1 0.2 . 1 . . . . 98 THR CG2 . 6564 1 1189 . 1 1 98 98 THR N N 15 116.6 0.2 . 1 . . . . 98 THR N . 6564 1 1190 . 1 1 99 99 PRO HA H 1 4.23 0.01 . 1 . . . . 99 PRO HA . 6564 1 1191 . 1 1 99 99 PRO HB2 H 1 1.97 0.01 . 2 . . . . 99 PRO HB2 . 6564 1 1192 . 1 1 99 99 PRO HB3 H 1 2.45 0.01 . 2 . . . . 99 PRO HB3 . 6564 1 1193 . 1 1 99 99 PRO HG2 H 1 2.27 0.01 . 1 . . . . 99 PRO HG2 . 6564 1 1194 . 1 1 99 99 PRO HG3 H 1 2.27 0.01 . 1 . . . . 99 PRO HG3 . 6564 1 1195 . 1 1 99 99 PRO HD2 H 1 3.60 0.01 . 2 . . . . 99 PRO HD2 . 6564 1 1196 . 1 1 99 99 PRO HD3 H 1 3.79 0.01 . 2 . . . . 99 PRO HD3 . 6564 1 1197 . 1 1 99 99 PRO CA C 13 66.9 0.2 . 1 . . . . 99 PRO CA . 6564 1 1198 . 1 1 99 99 PRO CB C 13 30.7 0.2 . 1 . . . . 99 PRO CB . 6564 1 1199 . 1 1 99 99 PRO CG C 13 28.7 0.2 . 1 . . . . 99 PRO CG . 6564 1 1200 . 1 1 99 99 PRO CD C 13 50.8 0.2 . 1 . . . . 99 PRO CD . 6564 1 1201 . 1 1 100 100 ALA H H 1 7.62 0.01 . 1 . . . . 100 ALA H . 6564 1 1202 . 1 1 100 100 ALA HA H 1 4.38 0.01 . 1 . . . . 100 ALA HA . 6564 1 1203 . 1 1 100 100 ALA HB1 H 1 1.61 0.01 . 1 . . . . 100 ALA HB . 6564 1 1204 . 1 1 100 100 ALA HB2 H 1 1.61 0.01 . 1 . . . . 100 ALA HB . 6564 1 1205 . 1 1 100 100 ALA HB3 H 1 1.61 0.01 . 1 . . . . 100 ALA HB . 6564 1 1206 . 1 1 100 100 ALA CA C 13 54.8 0.2 . 1 . . . . 100 ALA CA . 6564 1 1207 . 1 1 100 100 ALA CB C 13 18.5 0.2 . 1 . . . . 100 ALA CB . 6564 1 1208 . 1 1 100 100 ALA N N 15 119.9 0.2 . 1 . . . . 100 ALA N . 6564 1 1209 . 1 1 101 101 VAL H H 1 7.90 0.01 . 1 . . . . 101 VAL H . 6564 1 1210 . 1 1 101 101 VAL HA H 1 3.69 0.01 . 1 . . . . 101 VAL HA . 6564 1 1211 . 1 1 101 101 VAL HB H 1 2.51 0.01 . 1 . . . . 101 VAL HB . 6564 1 1212 . 1 1 101 101 VAL HG11 H 1 1.02 0.01 . 2 . . . . 101 VAL HG1 . 6564 1 1213 . 1 1 101 101 VAL HG12 H 1 1.02 0.01 . 2 . . . . 101 VAL HG1 . 6564 1 1214 . 1 1 101 101 VAL HG13 H 1 1.02 0.01 . 2 . . . . 101 VAL HG1 . 6564 1 1215 . 1 1 101 101 VAL HG21 H 1 1.24 0.01 . 2 . . . . 101 VAL HG2 . 6564 1 1216 . 1 1 101 101 VAL HG22 H 1 1.24 0.01 . 2 . . . . 101 VAL HG2 . 6564 1 1217 . 1 1 101 101 VAL HG23 H 1 1.24 0.01 . 2 . . . . 101 VAL HG2 . 6564 1 1218 . 1 1 101 101 VAL CA C 13 66.7 0.2 . 1 . . . . 101 VAL CA . 6564 1 1219 . 1 1 101 101 VAL CB C 13 31.6 0.2 . 1 . . . . 101 VAL CB . 6564 1 1220 . 1 1 101 101 VAL CG1 C 13 21.2 0.2 . 2 . . . . 101 VAL CG1 . 6564 1 1221 . 1 1 101 101 VAL CG2 C 13 22.7 0.2 . 2 . . . . 101 VAL CG2 . 6564 1 1222 . 1 1 101 101 VAL N N 15 120.7 0.2 . 1 . . . . 101 VAL N . 6564 1 1223 . 1 1 102 102 ILE H H 1 8.18 0.01 . 1 . . . . 102 ILE H . 6564 1 1224 . 1 1 102 102 ILE HA H 1 3.57 0.01 . 1 . . . . 102 ILE HA . 6564 1 1225 . 1 1 102 102 ILE HB H 1 1.97 0.01 . 1 . . . . 102 ILE HB . 6564 1 1226 . 1 1 102 102 ILE HG12 H 1 1.37 0.01 . 2 . . . . 102 ILE HG12 . 6564 1 1227 . 1 1 102 102 ILE HG13 H 1 1.76 0.01 . 2 . . . . 102 ILE HG13 . 6564 1 1228 . 1 1 102 102 ILE HG21 H 1 0.95 0.01 . 1 . . . . 102 ILE HG2 . 6564 1 1229 . 1 1 102 102 ILE HG22 H 1 0.95 0.01 . 1 . . . . 102 ILE HG2 . 6564 1 1230 . 1 1 102 102 ILE HG23 H 1 0.95 0.01 . 1 . . . . 102 ILE HG2 . 6564 1 1231 . 1 1 102 102 ILE HD11 H 1 0.82 0.01 . 1 . . . . 102 ILE HD1 . 6564 1 1232 . 1 1 102 102 ILE HD12 H 1 0.82 0.01 . 1 . . . . 102 ILE HD1 . 6564 1 1233 . 1 1 102 102 ILE HD13 H 1 0.82 0.01 . 1 . . . . 102 ILE HD1 . 6564 1 1234 . 1 1 102 102 ILE CA C 13 66.4 0.2 . 1 . . . . 102 ILE CA . 6564 1 1235 . 1 1 102 102 ILE CB C 13 38.1 0.2 . 1 . . . . 102 ILE CB . 6564 1 1236 . 1 1 102 102 ILE CG2 C 13 16.7 0.2 . 1 . . . . 102 ILE CG2 . 6564 1 1237 . 1 1 102 102 ILE CD1 C 13 14.4 0.2 . 1 . . . . 102 ILE CD1 . 6564 1 1238 . 1 1 102 102 ILE N N 15 119.4 0.2 . 1 . . . . 102 ILE N . 6564 1 1239 . 1 1 103 103 SER H H 1 8.46 0.01 . 1 . . . . 103 SER H . 6564 1 1240 . 1 1 103 103 SER HA H 1 4.31 0.01 . 1 . . . . 103 SER HA . 6564 1 1241 . 1 1 103 103 SER HB2 H 1 4.02 0.01 . 1 . . . . 103 SER HB2 . 6564 1 1242 . 1 1 103 103 SER HB3 H 1 4.02 0.01 . 1 . . . . 103 SER HB3 . 6564 1 1243 . 1 1 103 103 SER CA C 13 61.9 0.2 . 1 . . . . 103 SER CA . 6564 1 1244 . 1 1 103 103 SER CB C 13 62.8 0.2 . 1 . . . . 103 SER CB . 6564 1 1245 . 1 1 103 103 SER N N 15 114.6 0.2 . 1 . . . . 103 SER N . 6564 1 1246 . 1 1 104 104 ALA H H 1 8.06 0.01 . 1 . . . . 104 ALA H . 6564 1 1247 . 1 1 104 104 ALA HA H 1 4.14 0.01 . 1 . . . . 104 ALA HA . 6564 1 1248 . 1 1 104 104 ALA HB1 H 1 1.47 0.01 . 1 . . . . 104 ALA HB . 6564 1 1249 . 1 1 104 104 ALA HB2 H 1 1.47 0.01 . 1 . . . . 104 ALA HB . 6564 1 1250 . 1 1 104 104 ALA HB3 H 1 1.47 0.01 . 1 . . . . 104 ALA HB . 6564 1 1251 . 1 1 104 104 ALA CA C 13 55.3 0.2 . 1 . . . . 104 ALA CA . 6564 1 1252 . 1 1 104 104 ALA CB C 13 18.0 0.2 . 1 . . . . 104 ALA CB . 6564 1 1253 . 1 1 104 104 ALA N N 15 124.4 0.2 . 1 . . . . 104 ALA N . 6564 1 1254 . 1 1 105 105 PHE H H 1 8.76 0.01 . 1 . . . . 105 PHE H . 6564 1 1255 . 1 1 105 105 PHE HA H 1 4.13 0.01 . 1 . . . . 105 PHE HA . 6564 1 1256 . 1 1 105 105 PHE HB2 H 1 3.02 0.01 . 2 . . . . 105 PHE HB2 . 6564 1 1257 . 1 1 105 105 PHE HB3 H 1 3.35 0.01 . 2 . . . . 105 PHE HB3 . 6564 1 1258 . 1 1 105 105 PHE HD1 H 1 7.29 0.01 . 1 . . . . 105 PHE HD1 . 6564 1 1259 . 1 1 105 105 PHE HD2 H 1 7.29 0.01 . 1 . . . . 105 PHE HD2 . 6564 1 1260 . 1 1 105 105 PHE HE1 H 1 7.12 0.01 . 1 . . . . 105 PHE HE1 . 6564 1 1261 . 1 1 105 105 PHE HE2 H 1 7.12 0.01 . 1 . . . . 105 PHE HE2 . 6564 1 1262 . 1 1 105 105 PHE HZ H 1 7.18 0.01 . 1 . . . . 105 PHE HZ . 6564 1 1263 . 1 1 105 105 PHE CA C 13 62.7 0.2 . 1 . . . . 105 PHE CA . 6564 1 1264 . 1 1 105 105 PHE CB C 13 39.9 0.2 . 1 . . . . 105 PHE CB . 6564 1 1265 . 1 1 105 105 PHE CD1 C 13 131.6 0.2 . 1 . . . . 105 PHE CD1 . 6564 1 1266 . 1 1 105 105 PHE CD2 C 13 131.6 0.2 . 1 . . . . 105 PHE CD2 . 6564 1 1267 . 1 1 105 105 PHE CE1 C 13 130.5 0.2 . 1 . . . . 105 PHE CE1 . 6564 1 1268 . 1 1 105 105 PHE CE2 C 13 130.5 0.2 . 1 . . . . 105 PHE CE2 . 6564 1 1269 . 1 1 105 105 PHE CZ C 13 130.9 0.2 . 1 . . . . 105 PHE CZ . 6564 1 1270 . 1 1 105 105 PHE N N 15 120.7 0.2 . 1 . . . . 105 PHE N . 6564 1 1271 . 1 1 106 106 SER H H 1 9.12 0.01 . 1 . . . . 106 SER H . 6564 1 1272 . 1 1 106 106 SER HA H 1 4.21 0.01 . 1 . . . . 106 SER HA . 6564 1 1273 . 1 1 106 106 SER HB2 H 1 4.29 0.01 . 1 . . . . 106 SER HB2 . 6564 1 1274 . 1 1 106 106 SER HB3 H 1 4.29 0.01 . 1 . . . . 106 SER HB3 . 6564 1 1275 . 1 1 106 106 SER CA C 13 63.0 0.2 . 1 . . . . 106 SER CA . 6564 1 1276 . 1 1 106 106 SER CB C 13 63.0 0.2 . 1 . . . . 106 SER CB . 6564 1 1277 . 1 1 106 106 SER N N 15 115.7 0.2 . 1 . . . . 106 SER N . 6564 1 1278 . 1 1 107 107 THR H H 1 8.37 0.01 . 1 . . . . 107 THR H . 6564 1 1279 . 1 1 107 107 THR HA H 1 4.05 0.01 . 1 . . . . 107 THR HA . 6564 1 1280 . 1 1 107 107 THR HB H 1 4.42 0.01 . 1 . . . . 107 THR HB . 6564 1 1281 . 1 1 107 107 THR HG21 H 1 1.26 0.01 . 1 . . . . 107 THR HG2 . 6564 1 1282 . 1 1 107 107 THR HG22 H 1 1.26 0.01 . 1 . . . . 107 THR HG2 . 6564 1 1283 . 1 1 107 107 THR HG23 H 1 1.26 0.01 . 1 . . . . 107 THR HG2 . 6564 1 1284 . 1 1 107 107 THR CA C 13 67.3 0.2 . 1 . . . . 107 THR CA . 6564 1 1285 . 1 1 107 107 THR CB C 13 68.4 0.2 . 1 . . . . 107 THR CB . 6564 1 1286 . 1 1 107 107 THR CG2 C 13 21.7 0.2 . 1 . . . . 107 THR CG2 . 6564 1 1287 . 1 1 107 107 THR N N 15 120.8 0.2 . 1 . . . . 107 THR N . 6564 1 1288 . 1 1 108 108 MET H H 1 7.80 0.01 . 1 . . . . 108 MET H . 6564 1 1289 . 1 1 108 108 MET HA H 1 3.80 0.01 . 1 . . . . 108 MET HA . 6564 1 1290 . 1 1 108 108 MET HE1 H 1 2.15 0.01 . 1 . . . . 108 MET HE . 6564 1 1291 . 1 1 108 108 MET HE2 H 1 2.15 0.01 . 1 . . . . 108 MET HE . 6564 1 1292 . 1 1 108 108 MET HE3 H 1 2.15 0.01 . 1 . . . . 108 MET HE . 6564 1 1293 . 1 1 108 108 MET CA C 13 59.7 0.2 . 1 . . . . 108 MET CA . 6564 1 1294 . 1 1 108 108 MET CE C 13 16.9 0.2 . 1 . . . . 108 MET CE . 6564 1 1295 . 1 1 108 108 MET N N 15 121.3 0.2 . 1 . . . . 108 MET N . 6564 1 1296 . 1 1 109 109 MET H H 1 8.22 0.01 . 1 . . . . 109 MET H . 6564 1 1297 . 1 1 109 109 MET HA H 1 4.66 0.01 . 1 . . . . 109 MET HA . 6564 1 1298 . 1 1 109 109 MET HE1 H 1 2.15 0.01 . 1 . . . . 109 MET HE . 6564 1 1299 . 1 1 109 109 MET HE2 H 1 2.15 0.01 . 1 . . . . 109 MET HE . 6564 1 1300 . 1 1 109 109 MET HE3 H 1 2.15 0.01 . 1 . . . . 109 MET HE . 6564 1 1301 . 1 1 109 109 MET CA C 13 55.8 0.2 . 1 . . . . 109 MET CA . 6564 1 1302 . 1 1 109 109 MET CE C 13 16.9 0.2 . 1 . . . . 109 MET CE . 6564 1 1303 . 1 1 109 109 MET N N 15 118.0 0.2 . 1 . . . . 109 MET N . 6564 1 1304 . 1 1 110 110 SER H H 1 8.21 0.01 . 1 . . . . 110 SER H . 6564 1 1305 . 1 1 110 110 SER HA H 1 4.32 0.01 . 1 . . . . 110 SER HA . 6564 1 1306 . 1 1 110 110 SER HB2 H 1 4.06 0.01 . 1 . . . . 110 SER HB2 . 6564 1 1307 . 1 1 110 110 SER HB3 H 1 4.06 0.01 . 1 . . . . 110 SER HB3 . 6564 1 1308 . 1 1 110 110 SER CA C 13 62.0 0.2 . 1 . . . . 110 SER CA . 6564 1 1309 . 1 1 110 110 SER CB C 13 63.0 0.2 . 1 . . . . 110 SER CB . 6564 1 1310 . 1 1 110 110 SER N N 15 117.0 0.2 . 1 . . . . 110 SER N . 6564 1 1311 . 1 1 111 111 VAL H H 1 7.81 0.01 . 1 . . . . 111 VAL H . 6564 1 1312 . 1 1 111 111 VAL HA H 1 3.90 0.01 . 1 . . . . 111 VAL HA . 6564 1 1313 . 1 1 111 111 VAL HB H 1 2.13 0.01 . 1 . . . . 111 VAL HB . 6564 1 1314 . 1 1 111 111 VAL HG11 H 1 0.92 0.01 . 2 . . . . 111 VAL HG1 . 6564 1 1315 . 1 1 111 111 VAL HG12 H 1 0.92 0.01 . 2 . . . . 111 VAL HG1 . 6564 1 1316 . 1 1 111 111 VAL HG13 H 1 0.92 0.01 . 2 . . . . 111 VAL HG1 . 6564 1 1317 . 1 1 111 111 VAL HG21 H 1 1.02 0.01 . 2 . . . . 111 VAL HG2 . 6564 1 1318 . 1 1 111 111 VAL HG22 H 1 1.02 0.01 . 2 . . . . 111 VAL HG2 . 6564 1 1319 . 1 1 111 111 VAL HG23 H 1 1.02 0.01 . 2 . . . . 111 VAL HG2 . 6564 1 1320 . 1 1 111 111 VAL CA C 13 65.6 0.2 . 1 . . . . 111 VAL CA . 6564 1 1321 . 1 1 111 111 VAL CB C 13 32.2 0.2 . 1 . . . . 111 VAL CB . 6564 1 1322 . 1 1 111 111 VAL CG1 C 13 21.3 0.2 . 2 . . . . 111 VAL CG1 . 6564 1 1323 . 1 1 111 111 VAL CG2 C 13 21.1 0.2 . 2 . . . . 111 VAL CG2 . 6564 1 1324 . 1 1 111 111 VAL N N 15 121.6 0.2 . 1 . . . . 111 VAL N . 6564 1 1325 . 1 1 112 112 HIS H H 1 8.35 0.01 . 1 . . . . 112 HIS H . 6564 1 1326 . 1 1 112 112 HIS HA H 1 4.46 0.01 . 1 . . . . 112 HIS HA . 6564 1 1327 . 1 1 112 112 HIS HB2 H 1 3.50 0.01 . 2 . . . . 112 HIS HB2 . 6564 1 1328 . 1 1 112 112 HIS HB3 H 1 3.67 0.01 . 2 . . . . 112 HIS HB3 . 6564 1 1329 . 1 1 112 112 HIS HD2 H 1 7.04 0.01 . 1 . . . . 112 HIS HD2 . 6564 1 1330 . 1 1 112 112 HIS HE1 H 1 8.24 0.01 . 1 . . . . 112 HIS HE1 . 6564 1 1331 . 1 1 112 112 HIS CA C 13 58.8 0.2 . 1 . . . . 112 HIS CA . 6564 1 1332 . 1 1 112 112 HIS CB C 13 29.9 0.2 . 1 . . . . 112 HIS CB . 6564 1 1333 . 1 1 112 112 HIS CD2 C 13 119.8 0.2 . 1 . . . . 112 HIS CD2 . 6564 1 1334 . 1 1 112 112 HIS CE1 C 13 137.8 0.2 . 1 . . . . 112 HIS CE1 . 6564 1 1335 . 1 1 112 112 HIS N N 15 121.2 0.2 . 1 . . . . 112 HIS N . 6564 1 1336 . 1 1 113 113 ARG H H 1 8.14 0.01 . 1 . . . . 113 ARG H . 6564 1 1337 . 1 1 113 113 ARG HA H 1 4.22 0.01 . 1 . . . . 113 ARG HA . 6564 1 1338 . 1 1 113 113 ARG HB2 H 1 1.96 0.01 . 2 . . . . 113 ARG HB2 . 6564 1 1339 . 1 1 113 113 ARG HB3 H 1 2.03 0.01 . 2 . . . . 113 ARG HB3 . 6564 1 1340 . 1 1 113 113 ARG HG2 H 1 1.73 0.01 . 1 . . . . 113 ARG HG2 . 6564 1 1341 . 1 1 113 113 ARG HG3 H 1 1.73 0.01 . 1 . . . . 113 ARG HG3 . 6564 1 1342 . 1 1 113 113 ARG HD2 H 1 3.23 0.01 . 2 . . . . 113 ARG HD2 . 6564 1 1343 . 1 1 113 113 ARG HD3 H 1 3.40 0.01 . 2 . . . . 113 ARG HD3 . 6564 1 1344 . 1 1 113 113 ARG CA C 13 57.9 0.2 . 1 . . . . 113 ARG CA . 6564 1 1345 . 1 1 113 113 ARG CD C 13 43.7 0.2 . 1 . . . . 113 ARG CD . 6564 1 1346 . 1 1 113 113 ARG N N 15 117.0 0.2 . 1 . . . . 113 ARG N . 6564 1 1347 . 1 1 114 114 GLY H H 1 8.08 0.01 . 1 . . . . 114 GLY H . 6564 1 1348 . 1 1 114 114 GLY HA2 H 1 4.01 0.01 . 2 . . . . 114 GLY HA2 . 6564 1 1349 . 1 1 114 114 GLY HA3 H 1 4.09 0.01 . 2 . . . . 114 GLY HA3 . 6564 1 1350 . 1 1 114 114 GLY CA C 13 45.7 0.2 . 1 . . . . 114 GLY CA . 6564 1 1351 . 1 1 114 114 GLY N N 15 108.4 0.2 . 1 . . . . 114 GLY N . 6564 1 1352 . 1 1 115 115 GLU H H 1 8.10 0.01 . 1 . . . . 115 GLU H . 6564 1 1353 . 1 1 115 115 GLU HA H 1 4.36 0.01 . 1 . . . . 115 GLU HA . 6564 1 1354 . 1 1 115 115 GLU HB2 H 1 2.03 0.01 . 2 . . . . 115 GLU HB2 . 6564 1 1355 . 1 1 115 115 GLU HB3 H 1 2.08 0.01 . 2 . . . . 115 GLU HB3 . 6564 1 1356 . 1 1 115 115 GLU HG2 H 1 2.32 0.01 . 1 . . . . 115 GLU HG2 . 6564 1 1357 . 1 1 115 115 GLU HG3 H 1 2.32 0.01 . 1 . . . . 115 GLU HG3 . 6564 1 1358 . 1 1 115 115 GLU CA C 13 56.2 0.2 . 1 . . . . 115 GLU CA . 6564 1 1359 . 1 1 115 115 GLU CB C 13 30.5 0.2 . 1 . . . . 115 GLU CB . 6564 1 1360 . 1 1 115 115 GLU CG C 13 36.3 0.2 . 1 . . . . 115 GLU CG . 6564 1 1361 . 1 1 115 115 GLU N N 15 119.7 0.2 . 1 . . . . 115 GLU N . 6564 1 1362 . 1 1 116 116 VAL H H 1 8.03 0.01 . 1 . . . . 116 VAL H . 6564 1 1363 . 1 1 116 116 VAL HA H 1 4.48 0.01 . 1 . . . . 116 VAL HA . 6564 1 1364 . 1 1 116 116 VAL HB H 1 2.11 0.01 . 1 . . . . 116 VAL HB . 6564 1 1365 . 1 1 116 116 VAL HG11 H 1 0.98 0.01 . 2 . . . . 116 VAL HG1 . 6564 1 1366 . 1 1 116 116 VAL HG12 H 1 0.98 0.01 . 2 . . . . 116 VAL HG1 . 6564 1 1367 . 1 1 116 116 VAL HG13 H 1 0.98 0.01 . 2 . . . . 116 VAL HG1 . 6564 1 1368 . 1 1 116 116 VAL HG21 H 1 1.03 0.01 . 2 . . . . 116 VAL HG2 . 6564 1 1369 . 1 1 116 116 VAL HG22 H 1 1.03 0.01 . 2 . . . . 116 VAL HG2 . 6564 1 1370 . 1 1 116 116 VAL HG23 H 1 1.03 0.01 . 2 . . . . 116 VAL HG2 . 6564 1 1371 . 1 1 116 116 VAL CA C 13 59.7 0.2 . 1 . . . . 116 VAL CA . 6564 1 1372 . 1 1 116 116 VAL CB C 13 32.8 0.2 . 1 . . . . 116 VAL CB . 6564 1 1373 . 1 1 116 116 VAL CG1 C 13 20.6 0.2 . 2 . . . . 116 VAL CG1 . 6564 1 1374 . 1 1 116 116 VAL CG2 C 13 21.2 0.2 . 2 . . . . 116 VAL CG2 . 6564 1 1375 . 1 1 116 116 VAL N N 15 121.1 0.2 . 1 . . . . 116 VAL N . 6564 1 1376 . 1 1 117 117 PRO HA H 1 4.52 0.01 . 1 . . . . 117 PRO HA . 6564 1 1377 . 1 1 117 117 PRO HB2 H 1 1.99 0.01 . 2 . . . . 117 PRO HB2 . 6564 1 1378 . 1 1 117 117 PRO HB3 H 1 2.36 0.01 . 2 . . . . 117 PRO HB3 . 6564 1 1379 . 1 1 117 117 PRO HG2 H 1 2.09 0.01 . 1 . . . . 117 PRO HG2 . 6564 1 1380 . 1 1 117 117 PRO HG3 H 1 2.09 0.01 . 1 . . . . 117 PRO HG3 . 6564 1 1381 . 1 1 117 117 PRO HD2 H 1 3.75 0.01 . 2 . . . . 117 PRO HD2 . 6564 1 1382 . 1 1 117 117 PRO HD3 H 1 3.92 0.01 . 2 . . . . 117 PRO HD3 . 6564 1 1383 . 1 1 117 117 PRO CA C 13 63.1 0.2 . 1 . . . . 117 PRO CA . 6564 1 1384 . 1 1 117 117 PRO CB C 13 32.3 0.2 . 1 . . . . 117 PRO CB . 6564 1 1385 . 1 1 117 117 PRO CG C 13 27.4 0.2 . 1 . . . . 117 PRO CG . 6564 1 1386 . 1 1 117 117 PRO CD C 13 51.0 0.2 . 1 . . . . 117 PRO CD . 6564 1 1387 . 1 1 118 118 CYS H H 1 8.57 0.01 . 1 . . . . 118 CYS H . 6564 1 1388 . 1 1 118 118 CYS HA H 1 4.64 0.01 . 1 . . . . 118 CYS HA . 6564 1 1389 . 1 1 118 118 CYS HB2 H 1 3.02 0.01 . 1 . . . . 118 CYS HB2 . 6564 1 1390 . 1 1 118 118 CYS HB3 H 1 3.02 0.01 . 1 . . . . 118 CYS HB3 . 6564 1 1391 . 1 1 118 118 CYS CA C 13 58.5 0.2 . 1 . . . . 118 CYS CA . 6564 1 1392 . 1 1 118 118 CYS CB C 13 28.1 0.2 . 1 . . . . 118 CYS CB . 6564 1 1393 . 1 1 118 118 CYS N N 15 119.9 0.2 . 1 . . . . 118 CYS N . 6564 1 1394 . 1 1 119 119 THR H H 1 8.32 0.01 . 1 . . . . 119 THR H . 6564 1 1395 . 1 1 119 119 THR HA H 1 4.48 0.01 . 1 . . . . 119 THR HA . 6564 1 1396 . 1 1 119 119 THR HB H 1 4.32 0.01 . 1 . . . . 119 THR HB . 6564 1 1397 . 1 1 119 119 THR HG21 H 1 1.27 0.01 . 1 . . . . 119 THR HG2 . 6564 1 1398 . 1 1 119 119 THR HG22 H 1 1.27 0.01 . 1 . . . . 119 THR HG2 . 6564 1 1399 . 1 1 119 119 THR HG23 H 1 1.27 0.01 . 1 . . . . 119 THR HG2 . 6564 1 1400 . 1 1 119 119 THR CA C 13 61.8 0.2 . 1 . . . . 119 THR CA . 6564 1 1401 . 1 1 119 119 THR CB C 13 69.9 0.2 . 1 . . . . 119 THR CB . 6564 1 1402 . 1 1 119 119 THR CG2 C 13 21.8 0.2 . 1 . . . . 119 THR CG2 . 6564 1 1403 . 1 1 119 119 THR N N 15 117.4 0.2 . 1 . . . . 119 THR N . 6564 1 1404 . 1 1 120 120 VAL H H 1 7.83 0.01 . 1 . . . . 120 VAL H . 6564 1 1405 . 1 1 120 120 VAL HA H 1 4.12 0.01 . 1 . . . . 120 VAL HA . 6564 1 1406 . 1 1 120 120 VAL HB H 1 2.16 0.01 . 1 . . . . 120 VAL HB . 6564 1 1407 . 1 1 120 120 VAL HG11 H 1 0.95 0.01 . 2 . . . . 120 VAL HG1 . 6564 1 1408 . 1 1 120 120 VAL HG12 H 1 0.95 0.01 . 2 . . . . 120 VAL HG1 . 6564 1 1409 . 1 1 120 120 VAL HG13 H 1 0.95 0.01 . 2 . . . . 120 VAL HG1 . 6564 1 1410 . 1 1 120 120 VAL HG21 H 1 0.97 0.01 . 2 . . . . 120 VAL HG2 . 6564 1 1411 . 1 1 120 120 VAL HG22 H 1 0.97 0.01 . 2 . . . . 120 VAL HG2 . 6564 1 1412 . 1 1 120 120 VAL HG23 H 1 0.97 0.01 . 2 . . . . 120 VAL HG2 . 6564 1 1413 . 1 1 120 120 VAL CA C 13 63.8 0.2 . 1 . . . . 120 VAL CA . 6564 1 1414 . 1 1 120 120 VAL CB C 13 33.3 0.2 . 1 . . . . 120 VAL CB . 6564 1 1415 . 1 1 120 120 VAL CG1 C 13 20.3 0.2 . 2 . . . . 120 VAL CG1 . 6564 1 1416 . 1 1 120 120 VAL CG2 C 13 21.7 0.2 . 2 . . . . 120 VAL CG2 . 6564 1 1417 . 1 1 120 120 VAL N N 15 126.3 0.2 . 1 . . . . 120 VAL N . 6564 1 stop_ save_