data_15444 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15444 _Entry.Title ; solution structure of DNA binding domain of ngTRF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-27 _Entry.Accession_date 2007-08-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Weontae Lee N. . . 15444 2 Sunggeon Ko . . . 15444 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15444 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 423 15444 '15N chemical shifts' 114 15444 '1H chemical shifts' 550 15444 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 2 . . 2008-10-21 2007-08-27 update BMRB 'complete entry citation' 15444 1 . . 2008-08-27 2007-08-27 original author 'original release' 15444 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JUH 'BMRB Entry Tracking System' 15444 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15444 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18367475 _Citation.Full_citation . _Citation.Title ; Structure of the DNA-binding domain of NgTRF1 reveals unique features of plant telomere-binding proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 36 _Citation.Journal_issue 8 _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 2739 _Citation.Page_last 2755 _Citation.Year 2008 _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 Sunggeon Ko . . . 15444 1 2 Sung-Hoon Jun . . . 15444 1 3 Hansol Bae . . . 15444 1 4 Jung-Sue Byun . . . 15444 1 5 Woong Han . . . 15444 1 6 Heeyoung Park . . . 15444 1 7 'Seong Wook' Yang . . . 15444 1 8 Sam-Yong Park . . . 15444 1 9 'Young Ho' Jeon . . . 15444 1 10 Chaejoon Cheong . . . 15444 1 11 'Woo Taek' Kim . . . 15444 1 12 Weontae Lee . . . 15444 1 13 Hyun-Soo Cho . . . 15444 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15444 _Assembly.ID 1 _Assembly.Name 'DNA binding domain of NgTRF1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $NgTRF1 A . yes native no no . . . 15444 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NgTRF1 _Entity.Sf_category entity _Entity.Sf_framecode NgTRF1 _Entity.Entry_ID 15444 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NgTRF1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PVNQKSKRSELSQRRIRRPF SVAEVEALVEAVEHLGTGRW RDVKMRAFDNADHRTYVDLK DKWKTLVHTASIAPQQRRGE PVPQDLLDRVLAAHAYWSQQ QGKQHVEPLKILDAKAQKVG A ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'DNA binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13917.033 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CKX . "Crystal Structure Of Ngtrf1, Double-Stranded Telomeric Repeat Binding Factor From Nicotiana Tabacum" . . . . . 68.60 83 100.00 100.00 6.22e-53 . . . . 15444 1 2 no PDB 2JUH . "Solution Structure Of Dna Binding Domain Of Ngtrf1" . . . . . 100.00 121 100.00 100.00 3.39e-81 . . . . 15444 1 3 no PDB 2QHB . "Crystal Structure Of Ngtrf Complexed With Telomeric Dna" . . . . . 71.07 86 100.00 100.00 6.29e-55 . . . . 15444 1 4 no GB AAN39330 . "telomere binding protein TBP1 [Nicotiana glutinosa]" . . . . . 100.00 681 100.00 100.00 2.06e-77 . . . . 15444 1 5 no REF XP_009615640 . "PREDICTED: telomere repeat-binding protein 4-like [Nicotiana tomentosiformis]" . . . . . 100.00 680 100.00 100.00 2.40e-77 . . . . 15444 1 6 no REF XP_009799099 . "PREDICTED: telomere repeat-binding protein 4-like [Nicotiana sylvestris]" . . . . . 100.00 677 97.52 99.17 9.27e-76 . . . . 15444 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding' 15444 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 . PRO . 15444 1 2 . VAL . 15444 1 3 . ASN . 15444 1 4 . GLN . 15444 1 5 . LYS . 15444 1 6 . SER . 15444 1 7 . LYS . 15444 1 8 . ARG . 15444 1 9 . SER . 15444 1 10 . GLU . 15444 1 11 . LEU . 15444 1 12 . SER . 15444 1 13 . GLN . 15444 1 14 . ARG . 15444 1 15 . ARG . 15444 1 16 . ILE . 15444 1 17 . ARG . 15444 1 18 . ARG . 15444 1 19 . PRO . 15444 1 20 . PHE . 15444 1 21 . SER . 15444 1 22 . VAL . 15444 1 23 . ALA . 15444 1 24 . GLU . 15444 1 25 . VAL . 15444 1 26 . GLU . 15444 1 27 . ALA . 15444 1 28 . LEU . 15444 1 29 . VAL . 15444 1 30 . GLU . 15444 1 31 . ALA . 15444 1 32 . VAL . 15444 1 33 . GLU . 15444 1 34 . HIS . 15444 1 35 . LEU . 15444 1 36 . GLY . 15444 1 37 . THR . 15444 1 38 . GLY . 15444 1 39 . ARG . 15444 1 40 . TRP . 15444 1 41 . ARG . 15444 1 42 . ASP . 15444 1 43 . VAL . 15444 1 44 . LYS . 15444 1 45 . MET . 15444 1 46 . ARG . 15444 1 47 . ALA . 15444 1 48 . PHE . 15444 1 49 . ASP . 15444 1 50 . ASN . 15444 1 51 . ALA . 15444 1 52 . ASP . 15444 1 53 . HIS . 15444 1 54 . ARG . 15444 1 55 . THR . 15444 1 56 . TYR . 15444 1 57 . VAL . 15444 1 58 . ASP . 15444 1 59 . LEU . 15444 1 60 . LYS . 15444 1 61 . ASP . 15444 1 62 . LYS . 15444 1 63 . TRP . 15444 1 64 . LYS . 15444 1 65 . THR . 15444 1 66 . LEU . 15444 1 67 . VAL . 15444 1 68 . HIS . 15444 1 69 . THR . 15444 1 70 . ALA . 15444 1 71 . SER . 15444 1 72 . ILE . 15444 1 73 . ALA . 15444 1 74 . PRO . 15444 1 75 . GLN . 15444 1 76 . GLN . 15444 1 77 . ARG . 15444 1 78 . ARG . 15444 1 79 . GLY . 15444 1 80 . GLU . 15444 1 81 . PRO . 15444 1 82 . VAL . 15444 1 83 . PRO . 15444 1 84 . GLN . 15444 1 85 . ASP . 15444 1 86 . LEU . 15444 1 87 . LEU . 15444 1 88 . ASP . 15444 1 89 . ARG . 15444 1 90 . VAL . 15444 1 91 . LEU . 15444 1 92 . ALA . 15444 1 93 . ALA . 15444 1 94 . HIS . 15444 1 95 . ALA . 15444 1 96 . TYR . 15444 1 97 . TRP . 15444 1 98 . SER . 15444 1 99 . GLN . 15444 1 100 . GLN . 15444 1 101 . GLN . 15444 1 102 . GLY . 15444 1 103 . LYS . 15444 1 104 . GLN . 15444 1 105 . HIS . 15444 1 106 . VAL . 15444 1 107 . GLU . 15444 1 108 . PRO . 15444 1 109 . LEU . 15444 1 110 . LYS . 15444 1 111 . ILE . 15444 1 112 . LEU . 15444 1 113 . ASP . 15444 1 114 . ALA . 15444 1 115 . LYS . 15444 1 116 . ALA . 15444 1 117 . GLN . 15444 1 118 . LYS . 15444 1 119 . VAL . 15444 1 120 . GLY . 15444 1 121 . ALA . 15444 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 . PRO 1 1 15444 1 . VAL 2 2 15444 1 . ASN 3 3 15444 1 . GLN 4 4 15444 1 . LYS 5 5 15444 1 . SER 6 6 15444 1 . LYS 7 7 15444 1 . ARG 8 8 15444 1 . SER 9 9 15444 1 . GLU 10 10 15444 1 . LEU 11 11 15444 1 . SER 12 12 15444 1 . GLN 13 13 15444 1 . ARG 14 14 15444 1 . ARG 15 15 15444 1 . ILE 16 16 15444 1 . ARG 17 17 15444 1 . ARG 18 18 15444 1 . PRO 19 19 15444 1 . PHE 20 20 15444 1 . SER 21 21 15444 1 . VAL 22 22 15444 1 . ALA 23 23 15444 1 . GLU 24 24 15444 1 . VAL 25 25 15444 1 . GLU 26 26 15444 1 . ALA 27 27 15444 1 . LEU 28 28 15444 1 . VAL 29 29 15444 1 . GLU 30 30 15444 1 . ALA 31 31 15444 1 . VAL 32 32 15444 1 . GLU 33 33 15444 1 . HIS 34 34 15444 1 . LEU 35 35 15444 1 . GLY 36 36 15444 1 . THR 37 37 15444 1 . GLY 38 38 15444 1 . ARG 39 39 15444 1 . TRP 40 40 15444 1 . ARG 41 41 15444 1 . ASP 42 42 15444 1 . VAL 43 43 15444 1 . LYS 44 44 15444 1 . MET 45 45 15444 1 . ARG 46 46 15444 1 . ALA 47 47 15444 1 . PHE 48 48 15444 1 . ASP 49 49 15444 1 . ASN 50 50 15444 1 . ALA 51 51 15444 1 . ASP 52 52 15444 1 . HIS 53 53 15444 1 . ARG 54 54 15444 1 . THR 55 55 15444 1 . TYR 56 56 15444 1 . VAL 57 57 15444 1 . ASP 58 58 15444 1 . LEU 59 59 15444 1 . LYS 60 60 15444 1 . ASP 61 61 15444 1 . LYS 62 62 15444 1 . TRP 63 63 15444 1 . LYS 64 64 15444 1 . THR 65 65 15444 1 . LEU 66 66 15444 1 . VAL 67 67 15444 1 . HIS 68 68 15444 1 . THR 69 69 15444 1 . ALA 70 70 15444 1 . SER 71 71 15444 1 . ILE 72 72 15444 1 . ALA 73 73 15444 1 . PRO 74 74 15444 1 . GLN 75 75 15444 1 . GLN 76 76 15444 1 . ARG 77 77 15444 1 . ARG 78 78 15444 1 . GLY 79 79 15444 1 . GLU 80 80 15444 1 . PRO 81 81 15444 1 . VAL 82 82 15444 1 . PRO 83 83 15444 1 . GLN 84 84 15444 1 . ASP 85 85 15444 1 . LEU 86 86 15444 1 . LEU 87 87 15444 1 . ASP 88 88 15444 1 . ARG 89 89 15444 1 . VAL 90 90 15444 1 . LEU 91 91 15444 1 . ALA 92 92 15444 1 . ALA 93 93 15444 1 . HIS 94 94 15444 1 . ALA 95 95 15444 1 . TYR 96 96 15444 1 . TRP 97 97 15444 1 . SER 98 98 15444 1 . GLN 99 99 15444 1 . GLN 100 100 15444 1 . GLN 101 101 15444 1 . GLY 102 102 15444 1 . LYS 103 103 15444 1 . GLN 104 104 15444 1 . HIS 105 105 15444 1 . VAL 106 106 15444 1 . GLU 107 107 15444 1 . PRO 108 108 15444 1 . LEU 109 109 15444 1 . LYS 110 110 15444 1 . ILE 111 111 15444 1 . LEU 112 112 15444 1 . ASP 113 113 15444 1 . ALA 114 114 15444 1 . LYS 115 115 15444 1 . ALA 116 116 15444 1 . GLN 117 117 15444 1 . LYS 118 118 15444 1 . VAL 119 119 15444 1 . GLY 120 120 15444 1 . ALA 121 121 15444 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 15444 _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 $NgTRF1 . 4097 organism . 'Nicotiana tabacum' 'Nicotiana tabacum' . . Eukaryota Viridiplantae Nicotiana tabacum . . . . . . . . . . . . . . . . . . . . . 15444 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 15444 _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 $NgTRF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 15444 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15444 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '25mM Sodium phosphate, 100mM NaCl, pH 7' _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 NgTRF1 '[U-100% 15N]' . . 1 $NgTRF1 . . 1 . . mM . . . . 15444 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15444 1 3 NaCl . . . . . . . 100 . . mM . . . . 15444 1 4 H2O . . . . . . . 90 . . % . . . . 15444 1 5 D2O . . . . . . . 10 . . % . . . . 15444 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15444 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '25mM Sodium phosphate, 100mM NaCl, pH 7' _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 NgTRF1 '[U-100% 13C; U-100% 15N]' . . 1 $NgTRF1 . . 1 . . mM . . . . 15444 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15444 2 3 NaCl . . . . . . . 100 . . mM . . . . 15444 2 4 H2O . . . . . . . 90 . . % . . . . 15444 2 5 D2O . . . . . . . 10 . . % . . . . 15444 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15444 _Sample_condition_list.ID 1 _Sample_condition_list.Details '90%H2O, 10%D2O' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15444 1 pH 7 . pH 15444 1 pressure 1 . atm 15444 1 temperature 298 . K 15444 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15444 _Software.ID 1 _Software.Name CYANA _Software.Version 2.2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 15444 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15444 1 'structure solution' 15444 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15444 _Software.ID 2 _Software.Name CYANA _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15444 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15444 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15444 _Software.ID 3 _Software.Name CYANA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15444 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15444 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15444 _Software.ID 4 _Software.Name CYANA _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15444 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15444 4 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15444 _Software.ID 5 _Software.Name CYANA _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15444 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15444 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15444 _Software.ID 6 _Software.Name CYANA _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15444 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15444 6 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15444 _Software.ID 7 _Software.Name CYANA _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15444 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15444 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15444 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with Cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15444 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with Cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15444 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 'with Cryo-probe' . . 15444 1 2 spectrometer_2 Bruker DRX . 600 'with Cryo-probe' . . 15444 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15444 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 2 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 3 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 4 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 5 '3D 1H-13C NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 6 '3D HNCA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 7 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 8 '3D HBHA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 9 '3D 1H-13C NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 10 '3D HCCH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15444 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15444 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . 1 $citations . . 1 $citations 15444 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15444 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15444 1 2 '3D CBCA(CO)NH' . . . 15444 1 3 '3D HNCO' . . . 15444 1 10 '3D HCCH-TOCSY' . . . 15444 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 PRO C C 13 177.122 0.400 . 1 . . . . 561 PRO C . 15444 1 2 . 1 1 1 1 PRO CA C 13 63.308 0.400 . 1 . . . . 561 PRO CA . 15444 1 3 . 1 1 1 1 PRO CB C 13 31.891 0.400 . 1 . . . . 561 PRO CB . 15444 1 4 . 1 1 2 2 VAL H H 1 8.172 0.020 . 1 . . . . 562 VAL H . 15444 1 5 . 1 1 2 2 VAL C C 13 176.029 0.400 . 1 . . . . 562 VAL C . 15444 1 6 . 1 1 2 2 VAL CA C 13 62.814 0.400 . 1 . . . . 562 VAL CA . 15444 1 7 . 1 1 2 2 VAL CB C 13 32.261 0.400 . 1 . . . . 562 VAL CB . 15444 1 8 . 1 1 2 2 VAL N N 15 119.545 0.400 . 1 . . . . 562 VAL N . 15444 1 9 . 1 1 3 3 ASN H H 1 8.305 0.020 . 1 . . . . 563 ASN H . 15444 1 10 . 1 1 3 3 ASN C C 13 173.955 0.400 . 1 . . . . 563 ASN C . 15444 1 11 . 1 1 3 3 ASN CA C 13 53.276 0.400 . 1 . . . . 563 ASN CA . 15444 1 12 . 1 1 3 3 ASN CB C 13 38.940 0.400 . 1 . . . . 563 ASN CB . 15444 1 13 . 1 1 3 3 ASN N N 15 121.117 0.400 . 1 . . . . 563 ASN N . 15444 1 14 . 1 1 4 4 GLN H H 1 7.871 0.020 . 1 . . . . 564 GLN H . 15444 1 15 . 1 1 4 4 GLN C C 13 180.316 0.400 . 1 . . . . 564 GLN C . 15444 1 16 . 1 1 4 4 GLN CA C 13 57.419 0.400 . 1 . . . . 564 GLN CA . 15444 1 17 . 1 1 4 4 GLN CB C 13 30.374 0.400 . 1 . . . . 564 GLN CB . 15444 1 18 . 1 1 4 4 GLN N N 15 125.520 0.400 . 1 . . . . 564 GLN N . 15444 1 19 . 1 1 5 5 LYS C C 13 176.771 0.400 . 1 . . . . 565 LYS C . 15444 1 20 . 1 1 6 6 SER H H 1 8.191 0.020 . 1 . . . . 566 SER H . 15444 1 21 . 1 1 6 6 SER C C 13 173.459 0.400 . 1 . . . . 566 SER C . 15444 1 22 . 1 1 6 6 SER CA C 13 58.332 0.400 . 1 . . . . 566 SER CA . 15444 1 23 . 1 1 6 6 SER CB C 13 63.796 0.400 . 1 . . . . 566 SER CB . 15444 1 24 . 1 1 6 6 SER N N 15 116.755 0.400 . 1 . . . . 566 SER N . 15444 1 25 . 1 1 7 7 LYS H H 1 7.947 0.020 . 1 . . . . 567 LYS H . 15444 1 26 . 1 1 7 7 LYS C C 13 180.438 0.400 . 1 . . . . 567 LYS C . 15444 1 27 . 1 1 7 7 LYS CA C 13 57.391 0.400 . 1 . . . . 567 LYS CA . 15444 1 28 . 1 1 7 7 LYS CB C 13 30.396 0.400 . 1 . . . . 567 LYS CB . 15444 1 29 . 1 1 7 7 LYS N N 15 127.004 0.400 . 1 . . . . 567 LYS N . 15444 1 30 . 1 1 8 8 ARG H H 1 8.330 0.020 . 1 . . . . 568 ARG H . 15444 1 31 . 1 1 8 8 ARG C C 13 176.440 0.400 . 1 . . . . 568 ARG C . 15444 1 32 . 1 1 8 8 ARG CA C 13 56.278 0.400 . 1 . . . . 568 ARG CA . 15444 1 33 . 1 1 8 8 ARG CB C 13 32.757 0.400 . 1 . . . . 568 ARG CB . 15444 1 34 . 1 1 8 8 ARG N N 15 122.465 0.400 . 1 . . . . 568 ARG N . 15444 1 35 . 1 1 9 9 SER H H 1 8.366 0.020 . 1 . . . . 569 SER H . 15444 1 36 . 1 1 9 9 SER HA H 1 58.739 0.020 . 1 . . . . 569 SER HA . 15444 1 37 . 1 1 9 9 SER C C 13 176.483 0.400 . 1 . . . . 569 SER C . 15444 1 38 . 1 1 9 9 SER CB C 13 63.588 0.400 . 1 . . . . 569 SER CB . 15444 1 39 . 1 1 9 9 SER N N 15 117.295 0.400 . 1 . . . . 569 SER N . 15444 1 40 . 1 1 10 10 GLU H H 1 8.474 0.020 . 1 . . . . 570 GLU H . 15444 1 41 . 1 1 10 10 GLU C C 13 176.867 0.400 . 1 . . . . 570 GLU C . 15444 1 42 . 1 1 10 10 GLU CA C 13 56.993 0.400 . 1 . . . . 570 GLU CA . 15444 1 43 . 1 1 10 10 GLU CB C 13 29.930 0.400 . 1 . . . . 570 GLU CB . 15444 1 44 . 1 1 10 10 GLU N N 15 123.182 0.400 . 1 . . . . 570 GLU N . 15444 1 45 . 1 1 11 11 LEU H H 1 8.141 0.020 . 1 . . . . 571 LEU H . 15444 1 46 . 1 1 11 11 LEU C C 13 177.816 0.400 . 1 . . . . 571 LEU C . 15444 1 47 . 1 1 11 11 LEU CA C 13 55.729 0.400 . 1 . . . . 571 LEU CA . 15444 1 48 . 1 1 11 11 LEU CB C 13 42.075 0.400 . 1 . . . . 571 LEU CB . 15444 1 49 . 1 1 11 11 LEU N N 15 122.070 0.400 . 1 . . . . 571 LEU N . 15444 1 50 . 1 1 12 12 SER H H 1 8.134 0.020 . 1 . . . . 572 SER H . 15444 1 51 . 1 1 12 12 SER C C 13 177.782 0.400 . 1 . . . . 572 SER C . 15444 1 52 . 1 1 12 12 SER CA C 13 58.968 0.400 . 1 . . . . 572 SER CA . 15444 1 53 . 1 1 12 12 SER CB C 13 63.489 0.400 . 1 . . . . 572 SER CB . 15444 1 54 . 1 1 12 12 SER N N 15 115.757 0.400 . 1 . . . . 572 SER N . 15444 1 55 . 1 1 13 13 GLN C C 13 174.453 0.400 . 1 . . . . 573 GLN C . 15444 1 56 . 1 1 14 14 ARG H H 1 8.292 0.020 . 1 . . . . 574 ARG H . 15444 1 57 . 1 1 14 14 ARG C C 13 176.549 0.400 . 1 . . . . 574 ARG C . 15444 1 58 . 1 1 14 14 ARG N N 15 123.386 0.400 . 1 . . . . 574 ARG N . 15444 1 59 . 1 1 15 15 ARG C C 13 175.941 0.400 . 1 . . . . 575 ARG C . 15444 1 60 . 1 1 15 15 ARG CA C 13 56.034 0.400 . 1 . . . . 575 ARG CA . 15444 1 61 . 1 1 15 15 ARG CB C 13 30.726 0.400 . 1 . . . . 575 ARG CB . 15444 1 62 . 1 1 16 16 ILE H H 1 8.233 0.020 . 1 . . . . 576 ILE H . 15444 1 63 . 1 1 16 16 ILE C C 13 176.049 0.400 . 1 . . . . 576 ILE C . 15444 1 64 . 1 1 16 16 ILE CA C 13 60.858 0.400 . 1 . . . . 576 ILE CA . 15444 1 65 . 1 1 16 16 ILE CB C 13 38.241 0.400 . 1 . . . . 576 ILE CB . 15444 1 66 . 1 1 16 16 ILE N N 15 123.686 0.400 . 1 . . . . 576 ILE N . 15444 1 67 . 1 1 17 17 ARG H H 1 8.475 0.020 . 1 . . . . 577 ARG H . 15444 1 68 . 1 1 17 17 ARG C C 13 175.844 0.400 . 1 . . . . 577 ARG C . 15444 1 69 . 1 1 17 17 ARG CA C 13 55.544 0.400 . 1 . . . . 577 ARG CA . 15444 1 70 . 1 1 17 17 ARG CB C 13 30.673 0.400 . 1 . . . . 577 ARG CB . 15444 1 71 . 1 1 17 17 ARG N N 15 126.779 0.400 . 1 . . . . 577 ARG N . 15444 1 72 . 1 1 18 18 ARG H H 1 8.807 0.020 . 1 . . . . 578 ARG H . 15444 1 73 . 1 1 18 18 ARG C C 13 174.928 0.400 . 1 . . . . 578 ARG C . 15444 1 74 . 1 1 18 18 ARG CA C 13 53.710 0.400 . 1 . . . . 578 ARG CA . 15444 1 75 . 1 1 18 18 ARG CB C 13 30.569 0.400 . 1 . . . . 578 ARG CB . 15444 1 76 . 1 1 18 18 ARG N N 15 124.624 0.400 . 1 . . . . 578 ARG N . 15444 1 77 . 1 1 19 19 PRO C C 13 177.082 0.400 . 1 . . . . 579 PRO C . 15444 1 78 . 1 1 19 19 PRO CA C 13 63.007 0.400 . 1 . . . . 579 PRO CA . 15444 1 79 . 1 1 19 19 PRO CB C 13 32.015 0.400 . 1 . . . . 579 PRO CB . 15444 1 80 . 1 1 20 20 PHE H H 1 9.248 0.020 . 1 . . . . 580 PHE H . 15444 1 81 . 1 1 20 20 PHE HA H 1 4.653 0.020 . 1 . . . . 580 PHE HA . 15444 1 82 . 1 1 20 20 PHE HB2 H 1 2.918 0.020 . 2 . . . . 580 PHE HB2 . 15444 1 83 . 1 1 20 20 PHE HB3 H 1 2.918 0.020 . 2 . . . . 580 PHE HB3 . 15444 1 84 . 1 1 20 20 PHE HD1 H 1 7.227 0.020 . 1 . . . . 580 PHE HD1 . 15444 1 85 . 1 1 20 20 PHE C C 13 177.208 0.400 . 1 . . . . 580 PHE C . 15444 1 86 . 1 1 20 20 PHE CA C 13 57.532 0.400 . 1 . . . . 580 PHE CA . 15444 1 87 . 1 1 20 20 PHE CB C 13 39.678 0.400 . 1 . . . . 580 PHE CB . 15444 1 88 . 1 1 20 20 PHE N N 15 124.679 0.400 . 1 . . . . 580 PHE N . 15444 1 89 . 1 1 21 21 SER H H 1 9.389 0.020 . 1 . . . . 581 SER H . 15444 1 90 . 1 1 21 21 SER HA H 1 4.662 0.020 . 1 . . . . 581 SER HA . 15444 1 91 . 1 1 21 21 SER HB2 H 1 4.425 0.020 . 2 . . . . 581 SER HB2 . 15444 1 92 . 1 1 21 21 SER HB3 H 1 4.062 0.020 . 2 . . . . 581 SER HB3 . 15444 1 93 . 1 1 21 21 SER C C 13 175.437 0.400 . 1 . . . . 581 SER C . 15444 1 94 . 1 1 21 21 SER CA C 13 56.576 0.400 . 1 . . . . 581 SER CA . 15444 1 95 . 1 1 21 21 SER CB C 13 65.349 0.400 . 1 . . . . 581 SER CB . 15444 1 96 . 1 1 21 21 SER N N 15 121.633 0.400 . 1 . . . . 581 SER N . 15444 1 97 . 1 1 22 22 VAL H H 1 8.904 0.020 . 1 . . . . 582 VAL H . 15444 1 98 . 1 1 22 22 VAL HA H 1 3.664 0.020 . 1 . . . . 582 VAL HA . 15444 1 99 . 1 1 22 22 VAL HB H 1 2.059 0.020 . 1 . . . . 582 VAL HB . 15444 1 100 . 1 1 22 22 VAL HG11 H 1 0.952 0.020 . 2 . . . . 582 VAL HG1 . 15444 1 101 . 1 1 22 22 VAL HG12 H 1 0.952 0.020 . 2 . . . . 582 VAL HG1 . 15444 1 102 . 1 1 22 22 VAL HG13 H 1 0.952 0.020 . 2 . . . . 582 VAL HG1 . 15444 1 103 . 1 1 22 22 VAL HG21 H 1 1.087 0.020 . 2 . . . . 582 VAL HG2 . 15444 1 104 . 1 1 22 22 VAL HG22 H 1 1.087 0.020 . 2 . . . . 582 VAL HG2 . 15444 1 105 . 1 1 22 22 VAL HG23 H 1 1.087 0.020 . 2 . . . . 582 VAL HG2 . 15444 1 106 . 1 1 22 22 VAL C C 13 177.778 0.400 . 1 . . . . 582 VAL C . 15444 1 107 . 1 1 22 22 VAL CA C 13 67.503 0.400 . 1 . . . . 582 VAL CA . 15444 1 108 . 1 1 22 22 VAL CB C 13 31.269 0.400 . 1 . . . . 582 VAL CB . 15444 1 109 . 1 1 22 22 VAL CG1 C 13 21.459 0.400 . 1 . . . . 582 VAL CG1 . 15444 1 110 . 1 1 22 22 VAL CG2 C 13 23.314 0.400 . 1 . . . . 582 VAL CG2 . 15444 1 111 . 1 1 22 22 VAL N N 15 122.036 0.400 . 1 . . . . 582 VAL N . 15444 1 112 . 1 1 23 23 ALA H H 1 8.225 0.020 . 1 . . . . 583 ALA H . 15444 1 113 . 1 1 23 23 ALA HA H 1 4.260 0.020 . 1 . . . . 583 ALA HA . 15444 1 114 . 1 1 23 23 ALA HB1 H 1 1.380 0.020 . 1 . . . . 583 ALA HB . 15444 1 115 . 1 1 23 23 ALA HB2 H 1 1.380 0.020 . 1 . . . . 583 ALA HB . 15444 1 116 . 1 1 23 23 ALA HB3 H 1 1.380 0.020 . 1 . . . . 583 ALA HB . 15444 1 117 . 1 1 23 23 ALA C C 13 181.576 0.400 . 1 . . . . 583 ALA C . 15444 1 118 . 1 1 23 23 ALA CA C 13 55.113 0.400 . 1 . . . . 583 ALA CA . 15444 1 119 . 1 1 23 23 ALA CB C 13 18.067 0.400 . 1 . . . . 583 ALA CB . 15444 1 120 . 1 1 23 23 ALA N N 15 121.856 0.400 . 1 . . . . 583 ALA N . 15444 1 121 . 1 1 24 24 GLU H H 1 7.975 0.020 . 1 . . . . 584 GLU H . 15444 1 122 . 1 1 24 24 GLU HA H 1 4.181 0.020 . 1 . . . . 584 GLU HA . 15444 1 123 . 1 1 24 24 GLU HB2 H 1 2.695 0.020 . 2 . . . . 584 GLU HB2 . 15444 1 124 . 1 1 24 24 GLU HB3 H 1 2.205 0.020 . 2 . . . . 584 GLU HB3 . 15444 1 125 . 1 1 24 24 GLU HG2 H 1 2.658 0.020 . 2 . . . . 584 GLU HG2 . 15444 1 126 . 1 1 24 24 GLU HG3 H 1 2.165 0.020 . 2 . . . . 584 GLU HG3 . 15444 1 127 . 1 1 24 24 GLU C C 13 179.104 0.400 . 1 . . . . 584 GLU C . 15444 1 128 . 1 1 24 24 GLU CA C 13 59.806 0.400 . 1 . . . . 584 GLU CA . 15444 1 129 . 1 1 24 24 GLU CB C 13 32.549 0.400 . 1 . . . . 584 GLU CB . 15444 1 130 . 1 1 24 24 GLU CG C 13 39.050 0.400 . 1 . . . . 584 GLU CG . 15444 1 131 . 1 1 24 24 GLU N N 15 119.219 0.400 . 1 . . . . 584 GLU N . 15444 1 132 . 1 1 25 25 VAL H H 1 8.531 0.020 . 1 . . . . 585 VAL H . 15444 1 133 . 1 1 25 25 VAL HA H 1 3.627 0.020 . 1 . . . . 585 VAL HA . 15444 1 134 . 1 1 25 25 VAL HB H 1 2.393 0.020 . 1 . . . . 585 VAL HB . 15444 1 135 . 1 1 25 25 VAL HG11 H 1 0.896 0.020 . 2 . . . . 585 VAL HG1 . 15444 1 136 . 1 1 25 25 VAL HG12 H 1 0.896 0.020 . 2 . . . . 585 VAL HG1 . 15444 1 137 . 1 1 25 25 VAL HG13 H 1 0.896 0.020 . 2 . . . . 585 VAL HG1 . 15444 1 138 . 1 1 25 25 VAL HG21 H 1 1.071 0.020 . 2 . . . . 585 VAL HG2 . 15444 1 139 . 1 1 25 25 VAL HG22 H 1 1.071 0.020 . 2 . . . . 585 VAL HG2 . 15444 1 140 . 1 1 25 25 VAL HG23 H 1 1.071 0.020 . 2 . . . . 585 VAL HG2 . 15444 1 141 . 1 1 25 25 VAL C C 13 177.613 0.400 . 1 . . . . 585 VAL C . 15444 1 142 . 1 1 25 25 VAL CA C 13 68.205 0.400 . 1 . . . . 585 VAL CA . 15444 1 143 . 1 1 25 25 VAL CB C 13 30.872 0.400 . 1 . . . . 585 VAL CB . 15444 1 144 . 1 1 25 25 VAL CG1 C 13 23.150 0.400 . 1 . . . . 585 VAL CG1 . 15444 1 145 . 1 1 25 25 VAL CG2 C 13 24.038 0.400 . 1 . . . . 585 VAL CG2 . 15444 1 146 . 1 1 25 25 VAL N N 15 120.818 0.400 . 1 . . . . 585 VAL N . 15444 1 147 . 1 1 26 26 GLU H H 1 8.774 0.020 . 1 . . . . 586 GLU H . 15444 1 148 . 1 1 26 26 GLU HA H 1 3.754 0.020 . 1 . . . . 586 GLU HA . 15444 1 149 . 1 1 26 26 GLU HB2 H 1 2.163 0.020 . 2 . . . . 586 GLU HB2 . 15444 1 150 . 1 1 26 26 GLU HB3 H 1 2.088 0.020 . 2 . . . . 586 GLU HB3 . 15444 1 151 . 1 1 26 26 GLU HG2 H 1 2.269 0.020 . 2 . . . . 586 GLU HG2 . 15444 1 152 . 1 1 26 26 GLU HG3 H 1 2.269 0.020 . 2 . . . . 586 GLU HG3 . 15444 1 153 . 1 1 26 26 GLU C C 13 177.677 0.400 . 1 . . . . 586 GLU C . 15444 1 154 . 1 1 26 26 GLU CA C 13 60.629 0.400 . 1 . . . . 586 GLU CA . 15444 1 155 . 1 1 26 26 GLU CB C 13 28.976 0.400 . 1 . . . . 586 GLU CB . 15444 1 156 . 1 1 26 26 GLU CG C 13 36.639 0.400 . 1 . . . . 586 GLU CG . 15444 1 157 . 1 1 26 26 GLU N N 15 119.966 0.400 . 1 . . . . 586 GLU N . 15444 1 158 . 1 1 27 27 ALA H H 1 7.944 0.020 . 1 . . . . 587 ALA H . 15444 1 159 . 1 1 27 27 ALA HA H 1 4.155 0.020 . 1 . . . . 587 ALA HA . 15444 1 160 . 1 1 27 27 ALA HB1 H 1 1.326 0.020 . 1 . . . . 587 ALA HB . 15444 1 161 . 1 1 27 27 ALA HB2 H 1 1.326 0.020 . 1 . . . . 587 ALA HB . 15444 1 162 . 1 1 27 27 ALA HB3 H 1 1.326 0.020 . 1 . . . . 587 ALA HB . 15444 1 163 . 1 1 27 27 ALA C C 13 180.718 0.400 . 1 . . . . 587 ALA C . 15444 1 164 . 1 1 27 27 ALA CA C 13 54.858 0.400 . 1 . . . . 587 ALA CA . 15444 1 165 . 1 1 27 27 ALA CB C 13 18.061 0.400 . 1 . . . . 587 ALA CB . 15444 1 166 . 1 1 27 27 ALA N N 15 120.560 0.400 . 1 . . . . 587 ALA N . 15444 1 167 . 1 1 28 28 LEU H H 1 8.513 0.020 . 1 . . . . 588 LEU H . 15444 1 168 . 1 1 28 28 LEU HA H 1 4.213 0.020 . 1 . . . . 588 LEU HA . 15444 1 169 . 1 1 28 28 LEU HB2 H 1 1.853 0.020 . 2 . . . . 588 LEU HB2 . 15444 1 170 . 1 1 28 28 LEU HB3 H 1 2.609 0.020 . 2 . . . . 588 LEU HB3 . 15444 1 171 . 1 1 28 28 LEU HD11 H 1 1.215 0.020 . 2 . . . . 588 LEU HD1 . 15444 1 172 . 1 1 28 28 LEU HD12 H 1 1.215 0.020 . 2 . . . . 588 LEU HD1 . 15444 1 173 . 1 1 28 28 LEU HD13 H 1 1.215 0.020 . 2 . . . . 588 LEU HD1 . 15444 1 174 . 1 1 28 28 LEU HD21 H 1 0.979 0.020 . 2 . . . . 588 LEU HD2 . 15444 1 175 . 1 1 28 28 LEU HD22 H 1 0.979 0.020 . 2 . . . . 588 LEU HD2 . 15444 1 176 . 1 1 28 28 LEU HD23 H 1 0.979 0.020 . 2 . . . . 588 LEU HD2 . 15444 1 177 . 1 1 28 28 LEU HG H 1 1.869 0.020 . 1 . . . . 588 LEU HG . 15444 1 178 . 1 1 28 28 LEU C C 13 176.933 0.400 . 1 . . . . 588 LEU C . 15444 1 179 . 1 1 28 28 LEU CA C 13 58.824 0.400 . 1 . . . . 588 LEU CA . 15444 1 180 . 1 1 28 28 LEU CB C 13 42.628 0.400 . 1 . . . . 588 LEU CB . 15444 1 181 . 1 1 28 28 LEU CD1 C 13 24.961 0.400 . 1 . . . . 588 LEU CD1 . 15444 1 182 . 1 1 28 28 LEU CD2 C 13 27.057 0.400 . 1 . . . . 588 LEU CD2 . 15444 1 183 . 1 1 28 28 LEU CG C 13 27.675 0.400 . 1 . . . . 588 LEU CG . 15444 1 184 . 1 1 28 28 LEU N N 15 120.511 0.400 . 1 . . . . 588 LEU N . 15444 1 185 . 1 1 29 29 VAL H H 1 8.843 0.020 . 1 . . . . 589 VAL H . 15444 1 186 . 1 1 29 29 VAL HA H 1 3.683 0.020 . 1 . . . . 589 VAL HA . 15444 1 187 . 1 1 29 29 VAL HB H 1 2.169 0.020 . 1 . . . . 589 VAL HB . 15444 1 188 . 1 1 29 29 VAL HG11 H 1 0.924 0.020 . 2 . . . . 589 VAL HG1 . 15444 1 189 . 1 1 29 29 VAL HG12 H 1 0.924 0.020 . 2 . . . . 589 VAL HG1 . 15444 1 190 . 1 1 29 29 VAL HG13 H 1 0.924 0.020 . 2 . . . . 589 VAL HG1 . 15444 1 191 . 1 1 29 29 VAL HG21 H 1 1.148 0.020 . 2 . . . . 589 VAL HG2 . 15444 1 192 . 1 1 29 29 VAL HG22 H 1 1.148 0.020 . 2 . . . . 589 VAL HG2 . 15444 1 193 . 1 1 29 29 VAL HG23 H 1 1.148 0.020 . 2 . . . . 589 VAL HG2 . 15444 1 194 . 1 1 29 29 VAL C C 13 176.959 0.400 . 1 . . . . 589 VAL C . 15444 1 195 . 1 1 29 29 VAL CA C 13 67.545 0.400 . 1 . . . . 589 VAL CA . 15444 1 196 . 1 1 29 29 VAL CB C 13 31.736 0.400 . 1 . . . . 589 VAL CB . 15444 1 197 . 1 1 29 29 VAL CG1 C 13 21.490 0.400 . 1 . . . . 589 VAL CG1 . 15444 1 198 . 1 1 29 29 VAL CG2 C 13 24.349 0.400 . 1 . . . . 589 VAL CG2 . 15444 1 199 . 1 1 29 29 VAL N N 15 118.748 0.400 . 1 . . . . 589 VAL N . 15444 1 200 . 1 1 30 30 GLU H H 1 8.580 0.020 . 1 . . . . 590 GLU H . 15444 1 201 . 1 1 30 30 GLU HA H 1 4.314 0.020 . 1 . . . . 590 GLU HA . 15444 1 202 . 1 1 30 30 GLU HB2 H 1 2.134 0.020 . 2 . . . . 590 GLU HB2 . 15444 1 203 . 1 1 30 30 GLU HB3 H 1 2.017 0.020 . 2 . . . . 590 GLU HB3 . 15444 1 204 . 1 1 30 30 GLU HG2 H 1 2.484 0.020 . 2 . . . . 590 GLU HG2 . 15444 1 205 . 1 1 30 30 GLU HG3 H 1 2.269 0.020 . 2 . . . . 590 GLU HG3 . 15444 1 206 . 1 1 30 30 GLU C C 13 179.175 0.400 . 1 . . . . 590 GLU C . 15444 1 207 . 1 1 30 30 GLU CA C 13 59.672 0.400 . 1 . . . . 590 GLU CA . 15444 1 208 . 1 1 30 30 GLU CB C 13 28.868 0.400 . 1 . . . . 590 GLU CB . 15444 1 209 . 1 1 30 30 GLU CG C 13 36.443 0.400 . 1 . . . . 590 GLU CG . 15444 1 210 . 1 1 30 30 GLU N N 15 120.019 0.400 . 1 . . . . 590 GLU N . 15444 1 211 . 1 1 31 31 ALA H H 1 7.825 0.020 . 1 . . . . 591 ALA H . 15444 1 212 . 1 1 31 31 ALA HA H 1 3.928 0.020 . 1 . . . . 591 ALA HA . 15444 1 213 . 1 1 31 31 ALA HB1 H 1 1.627 0.020 . 1 . . . . 591 ALA HB . 15444 1 214 . 1 1 31 31 ALA HB2 H 1 1.627 0.020 . 1 . . . . 591 ALA HB . 15444 1 215 . 1 1 31 31 ALA HB3 H 1 1.627 0.020 . 1 . . . . 591 ALA HB . 15444 1 216 . 1 1 31 31 ALA C C 13 179.261 0.400 . 1 . . . . 591 ALA C . 15444 1 217 . 1 1 31 31 ALA CA C 13 55.444 0.400 . 1 . . . . 591 ALA CA . 15444 1 218 . 1 1 31 31 ALA CB C 13 20.010 0.400 . 1 . . . . 591 ALA CB . 15444 1 219 . 1 1 31 31 ALA N N 15 119.581 0.400 . 1 . . . . 591 ALA N . 15444 1 220 . 1 1 32 32 VAL H H 1 8.366 0.020 . 1 . . . . 592 VAL H . 15444 1 221 . 1 1 32 32 VAL HA H 1 3.098 0.020 . 1 . . . . 592 VAL HA . 15444 1 222 . 1 1 32 32 VAL HB H 1 1.434 0.020 . 1 . . . . 592 VAL HB . 15444 1 223 . 1 1 32 32 VAL HG11 H 1 -0.540 0.020 . 2 . . . . 592 VAL HG1 . 15444 1 224 . 1 1 32 32 VAL HG12 H 1 -0.540 0.020 . 2 . . . . 592 VAL HG1 . 15444 1 225 . 1 1 32 32 VAL HG13 H 1 -0.540 0.020 . 2 . . . . 592 VAL HG1 . 15444 1 226 . 1 1 32 32 VAL HG21 H 1 0.298 0.020 . 2 . . . . 592 VAL HG2 . 15444 1 227 . 1 1 32 32 VAL HG22 H 1 0.298 0.020 . 2 . . . . 592 VAL HG2 . 15444 1 228 . 1 1 32 32 VAL HG23 H 1 0.298 0.020 . 2 . . . . 592 VAL HG2 . 15444 1 229 . 1 1 32 32 VAL C C 13 179.408 0.400 . 1 . . . . 592 VAL C . 15444 1 230 . 1 1 32 32 VAL CA C 13 65.457 0.400 . 1 . . . . 592 VAL CA . 15444 1 231 . 1 1 32 32 VAL CB C 13 31.127 0.400 . 1 . . . . 592 VAL CB . 15444 1 232 . 1 1 32 32 VAL CG1 C 13 20.663 0.400 . 1 . . . . 592 VAL CG1 . 15444 1 233 . 1 1 32 32 VAL CG2 C 13 23.203 0.400 . 1 . . . . 592 VAL CG2 . 15444 1 234 . 1 1 32 32 VAL N N 15 120.727 0.400 . 1 . . . . 592 VAL N . 15444 1 235 . 1 1 33 33 GLU H H 1 9.119 0.020 . 1 . . . . 593 GLU H . 15444 1 236 . 1 1 33 33 GLU HA H 1 3.832 0.020 . 1 . . . . 593 GLU HA . 15444 1 237 . 1 1 33 33 GLU HB2 H 1 2.646 0.020 . 2 . . . . 593 GLU HB2 . 15444 1 238 . 1 1 33 33 GLU HB3 H 1 1.762 0.020 . 2 . . . . 593 GLU HB3 . 15444 1 239 . 1 1 33 33 GLU HG2 H 1 2.597 0.020 . 2 . . . . 593 GLU HG2 . 15444 1 240 . 1 1 33 33 GLU HG3 H 1 2.248 0.020 . 2 . . . . 593 GLU HG3 . 15444 1 241 . 1 1 33 33 GLU C C 13 178.743 0.400 . 1 . . . . 593 GLU C . 15444 1 242 . 1 1 33 33 GLU CA C 13 60.784 0.400 . 1 . . . . 593 GLU CA . 15444 1 243 . 1 1 33 33 GLU CB C 13 29.311 0.400 . 1 . . . . 593 GLU CB . 15444 1 244 . 1 1 33 33 GLU CG C 13 37.601 0.400 . 1 . . . . 593 GLU CG . 15444 1 245 . 1 1 33 33 GLU N N 15 120.652 0.400 . 1 . . . . 593 GLU N . 15444 1 246 . 1 1 34 34 HIS H H 1 7.465 0.020 . 1 . . . . 594 HIS H . 15444 1 247 . 1 1 34 34 HIS HA H 1 4.430 0.020 . 1 . . . . 594 HIS HA . 15444 1 248 . 1 1 34 34 HIS HB2 H 1 3.037 0.020 . 2 . . . . 594 HIS HB2 . 15444 1 249 . 1 1 34 34 HIS HB3 H 1 3.037 0.020 . 2 . . . . 594 HIS HB3 . 15444 1 250 . 1 1 34 34 HIS C C 13 176.330 0.400 . 1 . . . . 594 HIS C . 15444 1 251 . 1 1 34 34 HIS CA C 13 59.624 0.400 . 1 . . . . 594 HIS CA . 15444 1 252 . 1 1 34 34 HIS CB C 13 30.871 0.400 . 1 . . . . 594 HIS CB . 15444 1 253 . 1 1 34 34 HIS N N 15 113.270 0.400 . 1 . . . . 594 HIS N . 15444 1 254 . 1 1 35 35 LEU H H 1 8.499 0.020 . 1 . . . . 595 LEU H . 15444 1 255 . 1 1 35 35 LEU HA H 1 3.994 0.020 . 1 . . . . 595 LEU HA . 15444 1 256 . 1 1 35 35 LEU HB2 H 1 1.416 0.020 . 2 . . . . 595 LEU HB2 . 15444 1 257 . 1 1 35 35 LEU HB3 H 1 0.810 0.020 . 2 . . . . 595 LEU HB3 . 15444 1 258 . 1 1 35 35 LEU HD11 H 1 0.703 0.020 . 2 . . . . 595 LEU HD1 . 15444 1 259 . 1 1 35 35 LEU HD12 H 1 0.703 0.020 . 2 . . . . 595 LEU HD1 . 15444 1 260 . 1 1 35 35 LEU HD13 H 1 0.703 0.020 . 2 . . . . 595 LEU HD1 . 15444 1 261 . 1 1 35 35 LEU HD21 H 1 0.586 0.020 . 2 . . . . 595 LEU HD2 . 15444 1 262 . 1 1 35 35 LEU HD22 H 1 0.586 0.020 . 2 . . . . 595 LEU HD2 . 15444 1 263 . 1 1 35 35 LEU HD23 H 1 0.586 0.020 . 2 . . . . 595 LEU HD2 . 15444 1 264 . 1 1 35 35 LEU HG H 1 1.553 0.020 . 1 . . . . 595 LEU HG . 15444 1 265 . 1 1 35 35 LEU C C 13 176.960 0.400 . 1 . . . . 595 LEU C . 15444 1 266 . 1 1 35 35 LEU CA C 13 55.200 0.400 . 1 . . . . 595 LEU CA . 15444 1 267 . 1 1 35 35 LEU CB C 13 44.234 0.400 . 1 . . . . 595 LEU CB . 15444 1 268 . 1 1 35 35 LEU CD1 C 13 22.447 0.400 . 1 . . . . 595 LEU CD1 . 15444 1 269 . 1 1 35 35 LEU CD2 C 13 26.210 0.400 . 1 . . . . 595 LEU CD2 . 15444 1 270 . 1 1 35 35 LEU CG C 13 26.846 0.400 . 1 . . . . 595 LEU CG . 15444 1 271 . 1 1 35 35 LEU N N 15 116.453 0.400 . 1 . . . . 595 LEU N . 15444 1 272 . 1 1 36 36 GLY H H 1 8.302 0.020 . 1 . . . . 596 GLY H . 15444 1 273 . 1 1 36 36 GLY HA2 H 1 2.055 0.020 . 2 . . . . 596 GLY HA2 . 15444 1 274 . 1 1 36 36 GLY HA3 H 1 1.166 0.020 . 2 . . . . 596 GLY HA3 . 15444 1 275 . 1 1 36 36 GLY C C 13 173.344 0.400 . 1 . . . . 596 GLY C . 15444 1 276 . 1 1 36 36 GLY CA C 13 41.113 0.400 . 1 . . . . 596 GLY CA . 15444 1 277 . 1 1 36 36 GLY N N 15 111.506 0.400 . 1 . . . . 596 GLY N . 15444 1 278 . 1 1 37 37 THR H H 1 6.319 0.020 . 1 . . . . 597 THR H . 15444 1 279 . 1 1 37 37 THR HA H 1 3.156 0.020 . 1 . . . . 597 THR HA . 15444 1 280 . 1 1 37 37 THR HB H 1 4.626 0.020 . 1 . . . . 597 THR HB . 15444 1 281 . 1 1 37 37 THR HG21 H 1 0.776 0.020 . 1 . . . . 597 THR HG2 . 15444 1 282 . 1 1 37 37 THR HG22 H 1 0.776 0.020 . 1 . . . . 597 THR HG2 . 15444 1 283 . 1 1 37 37 THR HG23 H 1 0.776 0.020 . 1 . . . . 597 THR HG2 . 15444 1 284 . 1 1 37 37 THR C C 13 173.702 0.400 . 1 . . . . 597 THR C . 15444 1 285 . 1 1 37 37 THR CA C 13 60.592 0.400 . 1 . . . . 597 THR CA . 15444 1 286 . 1 1 37 37 THR CB C 13 68.410 0.400 . 1 . . . . 597 THR CB . 15444 1 287 . 1 1 37 37 THR CG2 C 13 22.091 0.400 . 1 . . . . 597 THR CG2 . 15444 1 288 . 1 1 37 37 THR N N 15 103.044 0.400 . 1 . . . . 597 THR N . 15444 1 289 . 1 1 38 38 GLY H H 1 7.767 0.020 . 1 . . . . 598 GLY H . 15444 1 290 . 1 1 38 38 GLY HA2 H 1 4.350 0.020 . 2 . . . . 598 GLY HA2 . 15444 1 291 . 1 1 38 38 GLY HA3 H 1 3.384 0.020 . 2 . . . . 598 GLY HA3 . 15444 1 292 . 1 1 38 38 GLY C C 13 174.718 0.400 . 1 . . . . 598 GLY C . 15444 1 293 . 1 1 38 38 GLY CA C 13 44.982 0.400 . 1 . . . . 598 GLY CA . 15444 1 294 . 1 1 38 38 GLY N N 15 109.247 0.400 . 1 . . . . 598 GLY N . 15444 1 295 . 1 1 39 39 ARG H H 1 8.000 0.020 . 1 . . . . 599 ARG H . 15444 1 296 . 1 1 39 39 ARG HA H 1 4.539 0.020 . 1 . . . . 599 ARG HA . 15444 1 297 . 1 1 39 39 ARG HB2 H 1 1.932 0.020 . 2 . . . . 599 ARG HB2 . 15444 1 298 . 1 1 39 39 ARG HB3 H 1 0.850 0.020 . 2 . . . . 599 ARG HB3 . 15444 1 299 . 1 1 39 39 ARG HD2 H 1 2.969 0.020 . 2 . . . . 599 ARG HD2 . 15444 1 300 . 1 1 39 39 ARG HD3 H 1 2.969 0.020 . 2 . . . . 599 ARG HD3 . 15444 1 301 . 1 1 39 39 ARG HG2 H 1 1.372 0.020 . 2 . . . . 599 ARG HG2 . 15444 1 302 . 1 1 39 39 ARG HG3 H 1 1.142 0.020 . 2 . . . . 599 ARG HG3 . 15444 1 303 . 1 1 39 39 ARG C C 13 176.423 0.400 . 1 . . . . 599 ARG C . 15444 1 304 . 1 1 39 39 ARG CA C 13 53.908 0.400 . 1 . . . . 599 ARG CA . 15444 1 305 . 1 1 39 39 ARG CB C 13 31.111 0.400 . 1 . . . . 599 ARG CB . 15444 1 306 . 1 1 39 39 ARG CD C 13 44.243 0.400 . 1 . . . . 599 ARG CD . 15444 1 307 . 1 1 39 39 ARG CG C 13 25.540 0.400 . 1 . . . . 599 ARG CG . 15444 1 308 . 1 1 39 39 ARG N N 15 123.510 0.400 . 1 . . . . 599 ARG N . 15444 1 309 . 1 1 40 40 TRP H H 1 7.252 0.020 . 1 . . . . 600 TRP H . 15444 1 310 . 1 1 40 40 TRP HA H 1 3.980 0.020 . 1 . . . . 600 TRP HA . 15444 1 311 . 1 1 40 40 TRP HB2 H 1 3.600 0.020 . 2 . . . . 600 TRP HB2 . 15444 1 312 . 1 1 40 40 TRP HB3 H 1 2.962 0.020 . 2 . . . . 600 TRP HB3 . 15444 1 313 . 1 1 40 40 TRP HD1 H 1 7.462 0.020 . 1 . . . . 600 TRP HD1 . 15444 1 314 . 1 1 40 40 TRP HE1 H 1 10.068 0.020 . 1 . . . . 600 TRP HE1 . 15444 1 315 . 1 1 40 40 TRP C C 13 178.493 0.400 . 1 . . . . 600 TRP C . 15444 1 316 . 1 1 40 40 TRP CA C 13 60.289 0.400 . 1 . . . . 600 TRP CA . 15444 1 317 . 1 1 40 40 TRP CB C 13 29.055 0.400 . 1 . . . . 600 TRP CB . 15444 1 318 . 1 1 40 40 TRP N N 15 121.127 0.400 . 1 . . . . 600 TRP N . 15444 1 319 . 1 1 40 40 TRP NE1 N 15 131.353 0.400 . 1 . . . . 600 TRP NE1 . 15444 1 320 . 1 1 41 41 ARG H H 1 8.626 0.020 . 1 . . . . 601 ARG H . 15444 1 321 . 1 1 41 41 ARG HA H 1 3.871 0.020 . 1 . . . . 601 ARG HA . 15444 1 322 . 1 1 41 41 ARG HB2 H 1 1.215 0.020 . 2 . . . . 601 ARG HB2 . 15444 1 323 . 1 1 41 41 ARG HB3 H 1 1.006 0.020 . 2 . . . . 601 ARG HB3 . 15444 1 324 . 1 1 41 41 ARG HD2 H 1 2.860 0.020 . 2 . . . . 601 ARG HD2 . 15444 1 325 . 1 1 41 41 ARG HD3 H 1 2.860 0.020 . 2 . . . . 601 ARG HD3 . 15444 1 326 . 1 1 41 41 ARG HG2 H 1 1.580 0.020 . 2 . . . . 601 ARG HG2 . 15444 1 327 . 1 1 41 41 ARG HG3 H 1 1.462 0.020 . 2 . . . . 601 ARG HG3 . 15444 1 328 . 1 1 41 41 ARG C C 13 178.670 0.400 . 1 . . . . 601 ARG C . 15444 1 329 . 1 1 41 41 ARG CA C 13 60.046 0.400 . 1 . . . . 601 ARG CA . 15444 1 330 . 1 1 41 41 ARG CB C 13 28.265 0.400 . 1 . . . . 601 ARG CB . 15444 1 331 . 1 1 41 41 ARG CD C 13 43.010 0.400 . 1 . . . . 601 ARG CD . 15444 1 332 . 1 1 41 41 ARG CG C 13 28.981 0.400 . 1 . . . . 601 ARG CG . 15444 1 333 . 1 1 41 41 ARG N N 15 118.918 0.400 . 1 . . . . 601 ARG N . 15444 1 334 . 1 1 42 42 ASP H H 1 7.388 0.020 . 1 . . . . 602 ASP H . 15444 1 335 . 1 1 42 42 ASP HA H 1 4.391 0.020 . 1 . . . . 602 ASP HA . 15444 1 336 . 1 1 42 42 ASP HB2 H 1 2.656 0.020 . 2 . . . . 602 ASP HB2 . 15444 1 337 . 1 1 42 42 ASP HB3 H 1 2.545 0.020 . 2 . . . . 602 ASP HB3 . 15444 1 338 . 1 1 42 42 ASP C C 13 179.007 0.400 . 1 . . . . 602 ASP C . 15444 1 339 . 1 1 42 42 ASP CA C 13 57.124 0.400 . 1 . . . . 602 ASP CA . 15444 1 340 . 1 1 42 42 ASP CB C 13 40.240 0.400 . 1 . . . . 602 ASP CB . 15444 1 341 . 1 1 42 42 ASP N N 15 120.451 0.400 . 1 . . . . 602 ASP N . 15444 1 342 . 1 1 43 43 VAL H H 1 8.057 0.020 . 1 . . . . 603 VAL H . 15444 1 343 . 1 1 43 43 VAL HA H 1 3.289 0.020 . 1 . . . . 603 VAL HA . 15444 1 344 . 1 1 43 43 VAL HB H 1 2.266 0.020 . 1 . . . . 603 VAL HB . 15444 1 345 . 1 1 43 43 VAL HG11 H 1 1.064 0.020 . 2 . . . . 603 VAL HG1 . 15444 1 346 . 1 1 43 43 VAL HG12 H 1 1.064 0.020 . 2 . . . . 603 VAL HG1 . 15444 1 347 . 1 1 43 43 VAL HG13 H 1 1.064 0.020 . 2 . . . . 603 VAL HG1 . 15444 1 348 . 1 1 43 43 VAL HG21 H 1 0.485 0.020 . 2 . . . . 603 VAL HG2 . 15444 1 349 . 1 1 43 43 VAL HG22 H 1 0.485 0.020 . 2 . . . . 603 VAL HG2 . 15444 1 350 . 1 1 43 43 VAL HG23 H 1 0.485 0.020 . 2 . . . . 603 VAL HG2 . 15444 1 351 . 1 1 43 43 VAL C C 13 177.187 0.400 . 1 . . . . 603 VAL C . 15444 1 352 . 1 1 43 43 VAL CA C 13 67.068 0.400 . 1 . . . . 603 VAL CA . 15444 1 353 . 1 1 43 43 VAL CB C 13 31.649 0.400 . 1 . . . . 603 VAL CB . 15444 1 354 . 1 1 43 43 VAL CG1 C 13 21.360 0.400 . 1 . . . . 603 VAL CG1 . 15444 1 355 . 1 1 43 43 VAL CG2 C 13 23.192 0.400 . 1 . . . . 603 VAL CG2 . 15444 1 356 . 1 1 43 43 VAL N N 15 123.842 0.400 . 1 . . . . 603 VAL N . 15444 1 357 . 1 1 44 44 LYS H H 1 8.131 0.020 . 1 . . . . 604 LYS H . 15444 1 358 . 1 1 44 44 LYS HA H 1 3.988 0.020 . 1 . . . . 604 LYS HA . 15444 1 359 . 1 1 44 44 LYS HB2 H 1 2.365 0.020 . 2 . . . . 604 LYS HB2 . 15444 1 360 . 1 1 44 44 LYS HB3 H 1 1.763 0.020 . 2 . . . . 604 LYS HB3 . 15444 1 361 . 1 1 44 44 LYS C C 13 177.815 0.400 . 1 . . . . 604 LYS C . 15444 1 362 . 1 1 44 44 LYS CA C 13 60.055 0.400 . 1 . . . . 604 LYS CA . 15444 1 363 . 1 1 44 44 LYS CB C 13 31.724 0.400 . 1 . . . . 604 LYS CB . 15444 1 364 . 1 1 44 44 LYS N N 15 120.062 0.400 . 1 . . . . 604 LYS N . 15444 1 365 . 1 1 45 45 MET H H 1 7.657 0.020 . 1 . . . . 605 MET H . 15444 1 366 . 1 1 45 45 MET HA H 1 4.131 0.020 . 1 . . . . 605 MET HA . 15444 1 367 . 1 1 45 45 MET HB2 H 1 2.067 0.020 . 2 . . . . 605 MET HB2 . 15444 1 368 . 1 1 45 45 MET HB3 H 1 2.067 0.020 . 2 . . . . 605 MET HB3 . 15444 1 369 . 1 1 45 45 MET HG2 H 1 2.667 0.020 . 2 . . . . 605 MET HG2 . 15444 1 370 . 1 1 45 45 MET HG3 H 1 2.583 0.020 . 2 . . . . 605 MET HG3 . 15444 1 371 . 1 1 45 45 MET C C 13 176.959 0.400 . 1 . . . . 605 MET C . 15444 1 372 . 1 1 45 45 MET CA C 13 57.957 0.400 . 1 . . . . 605 MET CA . 15444 1 373 . 1 1 45 45 MET CB C 13 32.475 0.400 . 1 . . . . 605 MET CB . 15444 1 374 . 1 1 45 45 MET CG C 13 32.110 0.400 . 1 . . . . 605 MET CG . 15444 1 375 . 1 1 45 45 MET N N 15 116.308 0.400 . 1 . . . . 605 MET N . 15444 1 376 . 1 1 46 46 ARG H H 1 7.921 0.020 . 1 . . . . 606 ARG H . 15444 1 377 . 1 1 46 46 ARG HA H 1 4.003 0.020 . 1 . . . . 606 ARG HA . 15444 1 378 . 1 1 46 46 ARG HB2 H 1 1.611 0.020 . 2 . . . . 606 ARG HB2 . 15444 1 379 . 1 1 46 46 ARG HB3 H 1 1.820 0.020 . 2 . . . . 606 ARG HB3 . 15444 1 380 . 1 1 46 46 ARG HD2 H 1 2.835 0.020 . 2 . . . . 606 ARG HD2 . 15444 1 381 . 1 1 46 46 ARG HD3 H 1 2.835 0.020 . 2 . . . . 606 ARG HD3 . 15444 1 382 . 1 1 46 46 ARG HG2 H 1 1.595 0.020 . 2 . . . . 606 ARG HG2 . 15444 1 383 . 1 1 46 46 ARG HG3 H 1 1.394 0.020 . 2 . . . . 606 ARG HG3 . 15444 1 384 . 1 1 46 46 ARG C C 13 177.374 0.400 . 1 . . . . 606 ARG C . 15444 1 385 . 1 1 46 46 ARG CA C 13 58.529 0.400 . 1 . . . . 606 ARG CA . 15444 1 386 . 1 1 46 46 ARG CB C 13 30.696 0.400 . 1 . . . . 606 ARG CB . 15444 1 387 . 1 1 46 46 ARG CD C 13 43.615 0.400 . 1 . . . . 606 ARG CD . 15444 1 388 . 1 1 46 46 ARG CG C 13 28.057 0.400 . 1 . . . . 606 ARG CG . 15444 1 389 . 1 1 46 46 ARG N N 15 117.599 0.400 . 1 . . . . 606 ARG N . 15444 1 390 . 1 1 47 47 ALA H H 1 7.637 0.020 . 1 . . . . 607 ALA H . 15444 1 391 . 1 1 47 47 ALA HA H 1 4.505 0.020 . 1 . . . . 607 ALA HA . 15444 1 392 . 1 1 47 47 ALA HB1 H 1 1.135 0.020 . 1 . . . . 607 ALA HB . 15444 1 393 . 1 1 47 47 ALA HB2 H 1 1.135 0.020 . 1 . . . . 607 ALA HB . 15444 1 394 . 1 1 47 47 ALA HB3 H 1 1.135 0.020 . 1 . . . . 607 ALA HB . 15444 1 395 . 1 1 47 47 ALA C C 13 176.498 0.400 . 1 . . . . 607 ALA C . 15444 1 396 . 1 1 47 47 ALA CA C 13 52.129 0.400 . 1 . . . . 607 ALA CA . 15444 1 397 . 1 1 47 47 ALA CB C 13 23.252 0.400 . 1 . . . . 607 ALA CB . 15444 1 398 . 1 1 47 47 ALA N N 15 116.289 0.400 . 1 . . . . 607 ALA N . 15444 1 399 . 1 1 48 48 PHE H H 1 8.312 0.020 . 1 . . . . 608 PHE H . 15444 1 400 . 1 1 48 48 PHE HA H 1 4.854 0.020 . 1 . . . . 608 PHE HA . 15444 1 401 . 1 1 48 48 PHE HB2 H 1 3.569 0.020 . 2 . . . . 608 PHE HB2 . 15444 1 402 . 1 1 48 48 PHE HB3 H 1 2.769 0.020 . 2 . . . . 608 PHE HB3 . 15444 1 403 . 1 1 48 48 PHE HD1 H 1 7.123 0.020 . 1 . . . . 608 PHE HD1 . 15444 1 404 . 1 1 48 48 PHE C C 13 176.827 0.400 . 1 . . . . 608 PHE C . 15444 1 405 . 1 1 48 48 PHE CA C 13 56.458 0.400 . 1 . . . . 608 PHE CA . 15444 1 406 . 1 1 48 48 PHE CB C 13 40.981 0.400 . 1 . . . . 608 PHE CB . 15444 1 407 . 1 1 48 48 PHE N N 15 116.582 0.400 . 1 . . . . 608 PHE N . 15444 1 408 . 1 1 49 49 ASP H H 1 8.567 0.020 . 1 . . . . 609 ASP H . 15444 1 409 . 1 1 49 49 ASP HA H 1 4.278 0.020 . 1 . . . . 609 ASP HA . 15444 1 410 . 1 1 49 49 ASP HB2 H 1 2.951 0.020 . 2 . . . . 609 ASP HB2 . 15444 1 411 . 1 1 49 49 ASP HB3 H 1 2.671 0.020 . 2 . . . . 609 ASP HB3 . 15444 1 412 . 1 1 49 49 ASP C C 13 176.930 0.400 . 1 . . . . 609 ASP C . 15444 1 413 . 1 1 49 49 ASP CA C 13 57.319 0.400 . 1 . . . . 609 ASP CA . 15444 1 414 . 1 1 49 49 ASP CB C 13 41.086 0.400 . 1 . . . . 609 ASP CB . 15444 1 415 . 1 1 49 49 ASP N N 15 124.561 0.400 . 1 . . . . 609 ASP N . 15444 1 416 . 1 1 50 50 ASN H H 1 8.295 0.020 . 1 . . . . 610 ASN H . 15444 1 417 . 1 1 50 50 ASN HA H 1 4.741 0.020 . 1 . . . . 610 ASN HA . 15444 1 418 . 1 1 50 50 ASN HB2 H 1 2.808 0.020 . 2 . . . . 610 ASN HB2 . 15444 1 419 . 1 1 50 50 ASN HB3 H 1 2.737 0.020 . 2 . . . . 610 ASN HB3 . 15444 1 420 . 1 1 50 50 ASN C C 13 174.096 0.400 . 1 . . . . 610 ASN C . 15444 1 421 . 1 1 50 50 ASN CA C 13 52.485 0.400 . 1 . . . . 610 ASN CA . 15444 1 422 . 1 1 50 50 ASN CB C 13 38.393 0.400 . 1 . . . . 610 ASN CB . 15444 1 423 . 1 1 50 50 ASN N N 15 115.488 0.400 . 1 . . . . 610 ASN N . 15444 1 424 . 1 1 51 51 ALA H H 1 7.276 0.020 . 1 . . . . 611 ALA H . 15444 1 425 . 1 1 51 51 ALA HA H 1 4.671 0.020 . 1 . . . . 611 ALA HA . 15444 1 426 . 1 1 51 51 ALA HB1 H 1 1.215 0.020 . 1 . . . . 611 ALA HB . 15444 1 427 . 1 1 51 51 ALA HB2 H 1 1.215 0.020 . 1 . . . . 611 ALA HB . 15444 1 428 . 1 1 51 51 ALA HB3 H 1 1.215 0.020 . 1 . . . . 611 ALA HB . 15444 1 429 . 1 1 51 51 ALA C C 13 176.529 0.400 . 1 . . . . 611 ALA C . 15444 1 430 . 1 1 51 51 ALA CA C 13 50.290 0.400 . 1 . . . . 611 ALA CA . 15444 1 431 . 1 1 51 51 ALA CB C 13 18.518 0.400 . 1 . . . . 611 ALA CB . 15444 1 432 . 1 1 51 51 ALA N N 15 123.285 0.400 . 1 . . . . 611 ALA N . 15444 1 433 . 1 1 52 52 ASP H H 1 8.642 0.020 . 1 . . . . 612 ASP H . 15444 1 434 . 1 1 52 52 ASP HA H 1 4.224 0.020 . 1 . . . . 612 ASP HA . 15444 1 435 . 1 1 52 52 ASP HB2 H 1 2.608 0.020 . 2 . . . . 612 ASP HB2 . 15444 1 436 . 1 1 52 52 ASP HB3 H 1 2.608 0.020 . 2 . . . . 612 ASP HB3 . 15444 1 437 . 1 1 52 52 ASP C C 13 176.557 0.400 . 1 . . . . 612 ASP C . 15444 1 438 . 1 1 52 52 ASP CA C 13 56.625 0.400 . 1 . . . . 612 ASP CA . 15444 1 439 . 1 1 52 52 ASP CB C 13 40.376 0.400 . 1 . . . . 612 ASP CB . 15444 1 440 . 1 1 52 52 ASP N N 15 124.402 0.400 . 1 . . . . 612 ASP N . 15444 1 441 . 1 1 53 53 HIS H H 1 8.527 0.020 . 1 . . . . 613 HIS H . 15444 1 442 . 1 1 53 53 HIS HA H 1 4.447 0.020 . 1 . . . . 613 HIS HA . 15444 1 443 . 1 1 53 53 HIS HB2 H 1 3.182 0.020 . 2 . . . . 613 HIS HB2 . 15444 1 444 . 1 1 53 53 HIS HB3 H 1 2.888 0.020 . 2 . . . . 613 HIS HB3 . 15444 1 445 . 1 1 53 53 HIS C C 13 174.329 0.400 . 1 . . . . 613 HIS C . 15444 1 446 . 1 1 53 53 HIS CA C 13 56.470 0.400 . 1 . . . . 613 HIS CA . 15444 1 447 . 1 1 53 53 HIS CB C 13 29.670 0.400 . 1 . . . . 613 HIS CB . 15444 1 448 . 1 1 53 53 HIS N N 15 114.465 0.400 . 1 . . . . 613 HIS N . 15444 1 449 . 1 1 54 54 ARG H H 1 7.240 0.020 . 1 . . . . 614 ARG H . 15444 1 450 . 1 1 54 54 ARG C C 13 174.779 0.400 . 1 . . . . 614 ARG C . 15444 1 451 . 1 1 54 54 ARG CA C 13 52.407 0.400 . 1 . . . . 614 ARG CA . 15444 1 452 . 1 1 54 54 ARG CB C 13 29.179 0.400 . 1 . . . . 614 ARG CB . 15444 1 453 . 1 1 54 54 ARG CD C 13 43.078 0.400 . 1 . . . . 614 ARG CD . 15444 1 454 . 1 1 54 54 ARG N N 15 119.924 0.400 . 1 . . . . 614 ARG N . 15444 1 455 . 1 1 55 55 THR H H 1 8.712 0.020 . 1 . . . . 615 THR H . 15444 1 456 . 1 1 55 55 THR HA H 1 4.599 0.020 . 1 . . . . 615 THR HA . 15444 1 457 . 1 1 55 55 THR HB H 1 4.422 0.020 . 1 . . . . 615 THR HB . 15444 1 458 . 1 1 55 55 THR HG21 H 1 1.166 0.020 . 1 . . . . 615 THR HG2 . 15444 1 459 . 1 1 55 55 THR HG22 H 1 1.166 0.020 . 1 . . . . 615 THR HG2 . 15444 1 460 . 1 1 55 55 THR HG23 H 1 1.166 0.020 . 1 . . . . 615 THR HG2 . 15444 1 461 . 1 1 55 55 THR C C 13 176.151 0.400 . 1 . . . . 615 THR C . 15444 1 462 . 1 1 55 55 THR CA C 13 60.298 0.400 . 1 . . . . 615 THR CA . 15444 1 463 . 1 1 55 55 THR CB C 13 71.745 0.400 . 1 . . . . 615 THR CB . 15444 1 464 . 1 1 55 55 THR CG2 C 13 21.312 0.400 . 1 . . . . 615 THR CG2 . 15444 1 465 . 1 1 55 55 THR N N 15 114.795 0.400 . 1 . . . . 615 THR N . 15444 1 466 . 1 1 56 56 TYR H H 1 8.739 0.020 . 1 . . . . 616 TYR H . 15444 1 467 . 1 1 56 56 TYR HA H 1 4.137 0.020 . 1 . . . . 616 TYR HA . 15444 1 468 . 1 1 56 56 TYR HB2 H 1 3.001 0.020 . 2 . . . . 616 TYR HB2 . 15444 1 469 . 1 1 56 56 TYR HB3 H 1 2.859 0.020 . 2 . . . . 616 TYR HB3 . 15444 1 470 . 1 1 56 56 TYR HD1 H 1 7.092 0.020 . 1 . . . . 616 TYR HD1 . 15444 1 471 . 1 1 56 56 TYR C C 13 176.245 0.400 . 1 . . . . 616 TYR C . 15444 1 472 . 1 1 56 56 TYR CA C 13 60.748 0.400 . 1 . . . . 616 TYR CA . 15444 1 473 . 1 1 56 56 TYR CB C 13 36.674 0.400 . 1 . . . . 616 TYR CB . 15444 1 474 . 1 1 56 56 TYR N N 15 117.824 0.400 . 1 . . . . 616 TYR N . 15444 1 475 . 1 1 57 57 VAL H H 1 6.428 0.020 . 1 . . . . 617 VAL H . 15444 1 476 . 1 1 57 57 VAL HA H 1 3.150 0.020 . 1 . . . . 617 VAL HA . 15444 1 477 . 1 1 57 57 VAL HB H 1 1.485 0.020 . 1 . . . . 617 VAL HB . 15444 1 478 . 1 1 57 57 VAL HG11 H 1 0.410 0.020 . 2 . . . . 617 VAL HG1 . 15444 1 479 . 1 1 57 57 VAL HG12 H 1 0.410 0.020 . 2 . . . . 617 VAL HG1 . 15444 1 480 . 1 1 57 57 VAL HG13 H 1 0.410 0.020 . 2 . . . . 617 VAL HG1 . 15444 1 481 . 1 1 57 57 VAL HG21 H 1 0.647 0.020 . 2 . . . . 617 VAL HG2 . 15444 1 482 . 1 1 57 57 VAL HG22 H 1 0.647 0.020 . 2 . . . . 617 VAL HG2 . 15444 1 483 . 1 1 57 57 VAL HG23 H 1 0.647 0.020 . 2 . . . . 617 VAL HG2 . 15444 1 484 . 1 1 57 57 VAL C C 13 176.875 0.400 . 1 . . . . 617 VAL C . 15444 1 485 . 1 1 57 57 VAL CA C 13 65.220 0.400 . 1 . . . . 617 VAL CA . 15444 1 486 . 1 1 57 57 VAL CB C 13 31.687 0.400 . 1 . . . . 617 VAL CB . 15444 1 487 . 1 1 57 57 VAL CG1 C 13 21.867 0.400 . 1 . . . . 617 VAL CG1 . 15444 1 488 . 1 1 57 57 VAL CG2 C 13 21.288 0.400 . 1 . . . . 617 VAL CG2 . 15444 1 489 . 1 1 57 57 VAL N N 15 119.753 0.400 . 1 . . . . 617 VAL N . 15444 1 490 . 1 1 58 58 ASP H H 1 7.283 0.020 . 1 . . . . 618 ASP H . 15444 1 491 . 1 1 58 58 ASP HA H 1 4.144 0.020 . 1 . . . . 618 ASP HA . 15444 1 492 . 1 1 58 58 ASP HB2 H 1 2.897 0.020 . 2 . . . . 618 ASP HB2 . 15444 1 493 . 1 1 58 58 ASP HB3 H 1 2.577 0.020 . 2 . . . . 618 ASP HB3 . 15444 1 494 . 1 1 58 58 ASP C C 13 179.589 0.400 . 1 . . . . 618 ASP C . 15444 1 495 . 1 1 58 58 ASP CA C 13 57.150 0.400 . 1 . . . . 618 ASP CA . 15444 1 496 . 1 1 58 58 ASP CB C 13 40.803 0.400 . 1 . . . . 618 ASP CB . 15444 1 497 . 1 1 58 58 ASP N N 15 120.392 0.400 . 1 . . . . 618 ASP N . 15444 1 498 . 1 1 59 59 LEU H H 1 7.549 0.020 . 1 . . . . 619 LEU H . 15444 1 499 . 1 1 59 59 LEU HA H 1 3.728 0.020 . 1 . . . . 619 LEU HA . 15444 1 500 . 1 1 59 59 LEU HB2 H 1 1.981 0.020 . 2 . . . . 619 LEU HB2 . 15444 1 501 . 1 1 59 59 LEU HB3 H 1 1.277 0.020 . 2 . . . . 619 LEU HB3 . 15444 1 502 . 1 1 59 59 LEU HD11 H 1 0.729 0.020 . 2 . . . . 619 LEU HD1 . 15444 1 503 . 1 1 59 59 LEU HD12 H 1 0.729 0.020 . 2 . . . . 619 LEU HD1 . 15444 1 504 . 1 1 59 59 LEU HD13 H 1 0.729 0.020 . 2 . . . . 619 LEU HD1 . 15444 1 505 . 1 1 59 59 LEU HD21 H 1 0.094 0.020 . 2 . . . . 619 LEU HD2 . 15444 1 506 . 1 1 59 59 LEU HD22 H 1 0.094 0.020 . 2 . . . . 619 LEU HD2 . 15444 1 507 . 1 1 59 59 LEU HD23 H 1 0.094 0.020 . 2 . . . . 619 LEU HD2 . 15444 1 508 . 1 1 59 59 LEU HG H 1 1.834 0.020 . 1 . . . . 619 LEU HG . 15444 1 509 . 1 1 59 59 LEU C C 13 175.982 0.400 . 1 . . . . 619 LEU C . 15444 1 510 . 1 1 59 59 LEU CA C 13 57.538 0.400 . 1 . . . . 619 LEU CA . 15444 1 511 . 1 1 59 59 LEU CB C 13 40.310 0.400 . 1 . . . . 619 LEU CB . 15444 1 512 . 1 1 59 59 LEU CD1 C 13 26.263 0.400 . 1 . . . . 619 LEU CD1 . 15444 1 513 . 1 1 59 59 LEU CD2 C 13 21.134 0.400 . 1 . . . . 619 LEU CD2 . 15444 1 514 . 1 1 59 59 LEU CG C 13 25.517 0.400 . 1 . . . . 619 LEU CG . 15444 1 515 . 1 1 59 59 LEU N N 15 118.454 0.400 . 1 . . . . 619 LEU N . 15444 1 516 . 1 1 60 60 LYS H H 1 6.958 0.020 . 1 . . . . 620 LYS H . 15444 1 517 . 1 1 60 60 LYS C C 13 178.504 0.400 . 1 . . . . 620 LYS C . 15444 1 518 . 1 1 60 60 LYS CA C 13 58.771 0.400 . 1 . . . . 620 LYS CA . 15444 1 519 . 1 1 60 60 LYS CB C 13 31.183 0.400 . 1 . . . . 620 LYS CB . 15444 1 520 . 1 1 60 60 LYS CD C 13 29.864 0.400 . 1 . . . . 620 LYS CD . 15444 1 521 . 1 1 60 60 LYS CG C 13 24.634 0.400 . 1 . . . . 620 LYS CG . 15444 1 522 . 1 1 60 60 LYS N N 15 121.417 0.400 . 1 . . . . 620 LYS N . 15444 1 523 . 1 1 61 61 ASP H H 1 8.090 0.020 . 1 . . . . 621 ASP H . 15444 1 524 . 1 1 61 61 ASP HA H 1 4.157 0.020 . 1 . . . . 621 ASP HA . 15444 1 525 . 1 1 61 61 ASP HB2 H 1 2.509 0.020 . 2 . . . . 621 ASP HB2 . 15444 1 526 . 1 1 61 61 ASP HB3 H 1 2.424 0.020 . 2 . . . . 621 ASP HB3 . 15444 1 527 . 1 1 61 61 ASP C C 13 178.749 0.400 . 1 . . . . 621 ASP C . 15444 1 528 . 1 1 61 61 ASP CA C 13 57.066 0.400 . 1 . . . . 621 ASP CA . 15444 1 529 . 1 1 61 61 ASP CB C 13 40.286 0.400 . 1 . . . . 621 ASP CB . 15444 1 530 . 1 1 61 61 ASP N N 15 118.631 0.400 . 1 . . . . 621 ASP N . 15444 1 531 . 1 1 62 62 LYS H H 1 7.901 0.020 . 1 . . . . 622 LYS H . 15444 1 532 . 1 1 62 62 LYS HA H 1 3.935 0.020 . 1 . . . . 622 LYS HA . 15444 1 533 . 1 1 62 62 LYS HB2 H 1 1.517 0.020 . 2 . . . . 622 LYS HB2 . 15444 1 534 . 1 1 62 62 LYS HB3 H 1 1.299 0.020 . 2 . . . . 622 LYS HB3 . 15444 1 535 . 1 1 62 62 LYS C C 13 178.404 0.400 . 1 . . . . 622 LYS C . 15444 1 536 . 1 1 62 62 LYS CA C 13 56.681 0.400 . 1 . . . . 622 LYS CA . 15444 1 537 . 1 1 62 62 LYS CB C 13 30.755 0.400 . 1 . . . . 622 LYS CB . 15444 1 538 . 1 1 62 62 LYS N N 15 121.036 0.400 . 1 . . . . 622 LYS N . 15444 1 539 . 1 1 63 63 TRP H H 1 8.342 0.020 . 1 . . . . 623 TRP H . 15444 1 540 . 1 1 63 63 TRP HA H 1 4.140 0.020 . 1 . . . . 623 TRP HA . 15444 1 541 . 1 1 63 63 TRP HB2 H 1 3.255 0.020 . 2 . . . . 623 TRP HB2 . 15444 1 542 . 1 1 63 63 TRP HB3 H 1 3.255 0.020 . 2 . . . . 623 TRP HB3 . 15444 1 543 . 1 1 63 63 TRP HD1 H 1 7.336 0.020 . 1 . . . . 623 TRP HD1 . 15444 1 544 . 1 1 63 63 TRP HE1 H 1 11.259 0.020 . 1 . . . . 623 TRP HE1 . 15444 1 545 . 1 1 63 63 TRP C C 13 176.287 0.400 . 1 . . . . 623 TRP C . 15444 1 546 . 1 1 63 63 TRP CA C 13 60.738 0.400 . 1 . . . . 623 TRP CA . 15444 1 547 . 1 1 63 63 TRP CB C 13 30.216 0.400 . 1 . . . . 623 TRP CB . 15444 1 548 . 1 1 63 63 TRP N N 15 120.862 0.400 . 1 . . . . 623 TRP N . 15444 1 549 . 1 1 63 63 TRP NE1 N 15 132.799 0.400 . 1 . . . . 623 TRP NE1 . 15444 1 550 . 1 1 64 64 LYS H H 1 7.723 0.020 . 1 . . . . 624 LYS H . 15444 1 551 . 1 1 64 64 LYS HA H 1 3.634 0.020 . 1 . . . . 624 LYS HA . 15444 1 552 . 1 1 64 64 LYS HB2 H 1 1.884 0.020 . 2 . . . . 624 LYS HB2 . 15444 1 553 . 1 1 64 64 LYS HB3 H 1 1.884 0.020 . 2 . . . . 624 LYS HB3 . 15444 1 554 . 1 1 64 64 LYS HD2 H 1 1.617 0.020 . 2 . . . . 624 LYS HD2 . 15444 1 555 . 1 1 64 64 LYS HD3 H 1 1.617 0.020 . 2 . . . . 624 LYS HD3 . 15444 1 556 . 1 1 64 64 LYS HE2 H 1 2.905 0.020 . 2 . . . . 624 LYS HE2 . 15444 1 557 . 1 1 64 64 LYS HE3 H 1 2.905 0.020 . 2 . . . . 624 LYS HE3 . 15444 1 558 . 1 1 64 64 LYS HG2 H 1 1.351 0.020 . 2 . . . . 624 LYS HG2 . 15444 1 559 . 1 1 64 64 LYS HG3 H 1 1.351 0.020 . 2 . . . . 624 LYS HG3 . 15444 1 560 . 1 1 64 64 LYS C C 13 180.070 0.400 . 1 . . . . 624 LYS C . 15444 1 561 . 1 1 64 64 LYS CA C 13 60.174 0.400 . 1 . . . . 624 LYS CA . 15444 1 562 . 1 1 64 64 LYS CB C 13 31.826 0.400 . 1 . . . . 624 LYS CB . 15444 1 563 . 1 1 64 64 LYS N N 15 116.210 0.400 . 1 . . . . 624 LYS N . 15444 1 564 . 1 1 65 65 THR H H 1 7.844 0.020 . 1 . . . . 625 THR H . 15444 1 565 . 1 1 65 65 THR HA H 1 3.990 0.020 . 1 . . . . 625 THR HA . 15444 1 566 . 1 1 65 65 THR HB H 1 4.185 0.020 . 1 . . . . 625 THR HB . 15444 1 567 . 1 1 65 65 THR HG21 H 1 1.166 0.020 . 1 . . . . 625 THR HG2 . 15444 1 568 . 1 1 65 65 THR HG22 H 1 1.166 0.020 . 1 . . . . 625 THR HG2 . 15444 1 569 . 1 1 65 65 THR HG23 H 1 1.166 0.020 . 1 . . . . 625 THR HG2 . 15444 1 570 . 1 1 65 65 THR C C 13 177.065 0.400 . 1 . . . . 625 THR C . 15444 1 571 . 1 1 65 65 THR CA C 13 65.872 0.400 . 1 . . . . 625 THR CA . 15444 1 572 . 1 1 65 65 THR CB C 13 68.623 0.400 . 1 . . . . 625 THR CB . 15444 1 573 . 1 1 65 65 THR CG2 C 13 21.824 0.400 . 1 . . . . 625 THR CG2 . 15444 1 574 . 1 1 65 65 THR N N 15 113.693 0.400 . 1 . . . . 625 THR N . 15444 1 575 . 1 1 66 66 LEU H H 1 8.331 0.020 . 1 . . . . 626 LEU H . 15444 1 576 . 1 1 66 66 LEU HA H 1 3.729 0.020 . 1 . . . . 626 LEU HA . 15444 1 577 . 1 1 66 66 LEU HB2 H 1 0.882 0.020 . 2 . . . . 626 LEU HB2 . 15444 1 578 . 1 1 66 66 LEU HB3 H 1 1.751 0.020 . 2 . . . . 626 LEU HB3 . 15444 1 579 . 1 1 66 66 LEU HD11 H 1 0.682 0.020 . 2 . . . . 626 LEU HD1 . 15444 1 580 . 1 1 66 66 LEU HD12 H 1 0.682 0.020 . 2 . . . . 626 LEU HD1 . 15444 1 581 . 1 1 66 66 LEU HD13 H 1 0.682 0.020 . 2 . . . . 626 LEU HD1 . 15444 1 582 . 1 1 66 66 LEU HD21 H 1 0.653 0.020 . 2 . . . . 626 LEU HD2 . 15444 1 583 . 1 1 66 66 LEU HD22 H 1 0.653 0.020 . 2 . . . . 626 LEU HD2 . 15444 1 584 . 1 1 66 66 LEU HD23 H 1 0.653 0.020 . 2 . . . . 626 LEU HD2 . 15444 1 585 . 1 1 66 66 LEU HG H 1 1.535 0.020 . 1 . . . . 626 LEU HG . 15444 1 586 . 1 1 66 66 LEU C C 13 177.797 0.400 . 1 . . . . 626 LEU C . 15444 1 587 . 1 1 66 66 LEU CA C 13 58.011 0.400 . 1 . . . . 626 LEU CA . 15444 1 588 . 1 1 66 66 LEU CB C 13 41.682 0.400 . 1 . . . . 626 LEU CB . 15444 1 589 . 1 1 66 66 LEU CD1 C 13 27.088 0.400 . 1 . . . . 626 LEU CD1 . 15444 1 590 . 1 1 66 66 LEU CD2 C 13 23.371 0.400 . 1 . . . . 626 LEU CD2 . 15444 1 591 . 1 1 66 66 LEU CG C 13 26.521 0.400 . 1 . . . . 626 LEU CG . 15444 1 592 . 1 1 66 66 LEU N N 15 126.742 0.400 . 1 . . . . 626 LEU N . 15444 1 593 . 1 1 67 67 VAL H H 1 7.883 0.020 . 1 . . . . 627 VAL H . 15444 1 594 . 1 1 67 67 VAL HA H 1 2.771 0.020 . 1 . . . . 627 VAL HA . 15444 1 595 . 1 1 67 67 VAL HB H 1 1.500 0.020 . 1 . . . . 627 VAL HB . 15444 1 596 . 1 1 67 67 VAL HG11 H 1 0.083 0.020 . 2 . . . . 627 VAL HG1 . 15444 1 597 . 1 1 67 67 VAL HG12 H 1 0.083 0.020 . 2 . . . . 627 VAL HG1 . 15444 1 598 . 1 1 67 67 VAL HG13 H 1 0.083 0.020 . 2 . . . . 627 VAL HG1 . 15444 1 599 . 1 1 67 67 VAL HG21 H 1 -0.058 0.020 . 2 . . . . 627 VAL HG2 . 15444 1 600 . 1 1 67 67 VAL HG22 H 1 -0.058 0.020 . 2 . . . . 627 VAL HG2 . 15444 1 601 . 1 1 67 67 VAL HG23 H 1 -0.058 0.020 . 2 . . . . 627 VAL HG2 . 15444 1 602 . 1 1 67 67 VAL C C 13 178.510 0.400 . 1 . . . . 627 VAL C . 15444 1 603 . 1 1 67 67 VAL CA C 13 66.799 0.400 . 1 . . . . 627 VAL CA . 15444 1 604 . 1 1 67 67 VAL CB C 13 31.153 0.400 . 1 . . . . 627 VAL CB . 15444 1 605 . 1 1 67 67 VAL CG1 C 13 19.661 0.400 . 1 . . . . 627 VAL CG1 . 15444 1 606 . 1 1 67 67 VAL CG2 C 13 22.469 0.400 . 1 . . . . 627 VAL CG2 . 15444 1 607 . 1 1 67 67 VAL N N 15 120.116 0.400 . 1 . . . . 627 VAL N . 15444 1 608 . 1 1 68 68 HIS H H 1 7.513 0.020 . 1 . . . . 628 HIS H . 15444 1 609 . 1 1 68 68 HIS HA H 1 4.043 0.020 . 1 . . . . 628 HIS HA . 15444 1 610 . 1 1 68 68 HIS HB2 H 1 3.117 0.020 . 2 . . . . 628 HIS HB2 . 15444 1 611 . 1 1 68 68 HIS HB3 H 1 3.003 0.020 . 2 . . . . 628 HIS HB3 . 15444 1 612 . 1 1 68 68 HIS C C 13 177.438 0.400 . 1 . . . . 628 HIS C . 15444 1 613 . 1 1 68 68 HIS CA C 13 60.212 0.400 . 1 . . . . 628 HIS CA . 15444 1 614 . 1 1 68 68 HIS CB C 13 30.066 0.400 . 1 . . . . 628 HIS CB . 15444 1 615 . 1 1 68 68 HIS N N 15 119.264 0.400 . 1 . . . . 628 HIS N . 15444 1 616 . 1 1 69 69 THR H H 1 8.380 0.020 . 1 . . . . 629 THR H . 15444 1 617 . 1 1 69 69 THR HA H 1 3.512 0.020 . 1 . . . . 629 THR HA . 15444 1 618 . 1 1 69 69 THR HB H 1 4.121 0.020 . 1 . . . . 629 THR HB . 15444 1 619 . 1 1 69 69 THR HG21 H 1 1.095 0.020 . 1 . . . . 629 THR HG2 . 15444 1 620 . 1 1 69 69 THR HG22 H 1 1.095 0.020 . 1 . . . . 629 THR HG2 . 15444 1 621 . 1 1 69 69 THR HG23 H 1 1.095 0.020 . 1 . . . . 629 THR HG2 . 15444 1 622 . 1 1 69 69 THR C C 13 174.951 0.400 . 1 . . . . 629 THR C . 15444 1 623 . 1 1 69 69 THR CA C 13 66.986 0.400 . 1 . . . . 629 THR CA . 15444 1 624 . 1 1 69 69 THR CB C 13 68.669 0.400 . 1 . . . . 629 THR CB . 15444 1 625 . 1 1 69 69 THR CG2 C 13 21.527 0.400 . 1 . . . . 629 THR CG2 . 15444 1 626 . 1 1 69 69 THR N N 15 115.728 0.400 . 1 . . . . 629 THR N . 15444 1 627 . 1 1 70 70 ALA H H 1 8.344 0.020 . 1 . . . . 630 ALA H . 15444 1 628 . 1 1 70 70 ALA HA H 1 3.822 0.020 . 1 . . . . 630 ALA HA . 15444 1 629 . 1 1 70 70 ALA HB1 H 1 1.294 0.020 . 1 . . . . 630 ALA HB . 15444 1 630 . 1 1 70 70 ALA HB2 H 1 1.294 0.020 . 1 . . . . 630 ALA HB . 15444 1 631 . 1 1 70 70 ALA HB3 H 1 1.294 0.020 . 1 . . . . 630 ALA HB . 15444 1 632 . 1 1 70 70 ALA C C 13 177.784 0.400 . 1 . . . . 630 ALA C . 15444 1 633 . 1 1 70 70 ALA CA C 13 53.949 0.400 . 1 . . . . 630 ALA CA . 15444 1 634 . 1 1 70 70 ALA CB C 13 19.341 0.400 . 1 . . . . 630 ALA CB . 15444 1 635 . 1 1 70 70 ALA N N 15 119.768 0.400 . 1 . . . . 630 ALA N . 15444 1 636 . 1 1 71 71 SER H H 1 7.489 0.020 . 1 . . . . 631 SER H . 15444 1 637 . 1 1 71 71 SER HA H 1 4.216 0.020 . 1 . . . . 631 SER HA . 15444 1 638 . 1 1 71 71 SER HB2 H 1 3.897 0.020 . 2 . . . . 631 SER HB2 . 15444 1 639 . 1 1 71 71 SER HB3 H 1 3.803 0.020 . 2 . . . . 631 SER HB3 . 15444 1 640 . 1 1 71 71 SER C C 13 173.274 0.400 . 1 . . . . 631 SER C . 15444 1 641 . 1 1 71 71 SER CA C 13 59.750 0.400 . 1 . . . . 631 SER CA . 15444 1 642 . 1 1 71 71 SER CB C 13 63.906 0.400 . 1 . . . . 631 SER CB . 15444 1 643 . 1 1 71 71 SER N N 15 110.936 0.400 . 1 . . . . 631 SER N . 15444 1 644 . 1 1 72 72 ILE H H 1 7.101 0.020 . 1 . . . . 632 ILE H . 15444 1 645 . 1 1 72 72 ILE HA H 1 4.317 0.020 . 1 . . . . 632 ILE HA . 15444 1 646 . 1 1 72 72 ILE HB H 1 1.808 0.020 . 1 . . . . 632 ILE HB . 15444 1 647 . 1 1 72 72 ILE HD11 H 1 0.501 0.020 . 1 . . . . 632 ILE HD1 . 15444 1 648 . 1 1 72 72 ILE HD12 H 1 0.501 0.020 . 1 . . . . 632 ILE HD1 . 15444 1 649 . 1 1 72 72 ILE HD13 H 1 0.501 0.020 . 1 . . . . 632 ILE HD1 . 15444 1 650 . 1 1 72 72 ILE HG12 H 1 1.170 0.020 . 2 . . . . 632 ILE HG12 . 15444 1 651 . 1 1 72 72 ILE HG13 H 1 1.170 0.020 . 2 . . . . 632 ILE HG13 . 15444 1 652 . 1 1 72 72 ILE HG21 H 1 0.606 0.020 . 1 . . . . 632 ILE HG2 . 15444 1 653 . 1 1 72 72 ILE HG22 H 1 0.606 0.020 . 1 . . . . 632 ILE HG2 . 15444 1 654 . 1 1 72 72 ILE HG23 H 1 0.606 0.020 . 1 . . . . 632 ILE HG2 . 15444 1 655 . 1 1 72 72 ILE C C 13 174.635 0.400 . 1 . . . . 632 ILE C . 15444 1 656 . 1 1 72 72 ILE CA C 13 59.980 0.400 . 1 . . . . 632 ILE CA . 15444 1 657 . 1 1 72 72 ILE CB C 13 39.465 0.400 . 1 . . . . 632 ILE CB . 15444 1 658 . 1 1 72 72 ILE CD1 C 13 13.368 0.400 . 1 . . . . 632 ILE CD1 . 15444 1 659 . 1 1 72 72 ILE CG1 C 13 24.462 0.400 . 1 . . . . 632 ILE CG1 . 15444 1 660 . 1 1 72 72 ILE CG2 C 13 16.748 0.400 . 1 . . . . 632 ILE CG2 . 15444 1 661 . 1 1 72 72 ILE N N 15 118.443 0.400 . 1 . . . . 632 ILE N . 15444 1 662 . 1 1 73 73 ALA H H 1 8.121 0.020 . 1 . . . . 633 ALA H . 15444 1 663 . 1 1 73 73 ALA HA H 1 4.363 0.020 . 1 . . . . 633 ALA HA . 15444 1 664 . 1 1 73 73 ALA HB1 H 1 1.328 0.020 . 1 . . . . 633 ALA HB . 15444 1 665 . 1 1 73 73 ALA HB2 H 1 1.328 0.020 . 1 . . . . 633 ALA HB . 15444 1 666 . 1 1 73 73 ALA HB3 H 1 1.328 0.020 . 1 . . . . 633 ALA HB . 15444 1 667 . 1 1 73 73 ALA C C 13 176.960 0.400 . 1 . . . . 633 ALA C . 15444 1 668 . 1 1 73 73 ALA CA C 13 50.619 0.400 . 1 . . . . 633 ALA CA . 15444 1 669 . 1 1 73 73 ALA CB C 13 17.438 0.400 . 1 . . . . 633 ALA CB . 15444 1 670 . 1 1 73 73 ALA N N 15 125.374 0.400 . 1 . . . . 633 ALA N . 15444 1 671 . 1 1 74 74 PRO HA H 1 3.704 0.020 . 1 . . . . 634 PRO HA . 15444 1 672 . 1 1 74 74 PRO HB2 H 1 2.300 0.020 . 2 . . . . 634 PRO HB2 . 15444 1 673 . 1 1 74 74 PRO HB3 H 1 1.897 0.020 . 2 . . . . 634 PRO HB3 . 15444 1 674 . 1 1 74 74 PRO HD2 H 1 3.805 0.020 . 2 . . . . 634 PRO HD2 . 15444 1 675 . 1 1 74 74 PRO HD3 H 1 3.805 0.020 . 2 . . . . 634 PRO HD3 . 15444 1 676 . 1 1 74 74 PRO HG2 H 1 2.148 0.020 . 2 . . . . 634 PRO HG2 . 15444 1 677 . 1 1 74 74 PRO HG3 H 1 1.963 0.020 . 2 . . . . 634 PRO HG3 . 15444 1 678 . 1 1 74 74 PRO C C 13 179.191 0.400 . 1 . . . . 634 PRO C . 15444 1 679 . 1 1 74 74 PRO CA C 13 66.079 0.400 . 1 . . . . 634 PRO CA . 15444 1 680 . 1 1 74 74 PRO CB C 13 32.056 0.400 . 1 . . . . 634 PRO CB . 15444 1 681 . 1 1 74 74 PRO CG C 13 27.622 0.400 . 1 . . . . 634 PRO CG . 15444 1 682 . 1 1 75 75 GLN H H 1 8.785 0.020 . 1 . . . . 635 GLN H . 15444 1 683 . 1 1 75 75 GLN HA H 1 4.103 0.020 . 1 . . . . 635 GLN HA . 15444 1 684 . 1 1 75 75 GLN HB2 H 1 2.034 0.020 . 2 . . . . 635 GLN HB2 . 15444 1 685 . 1 1 75 75 GLN HB3 H 1 2.034 0.020 . 2 . . . . 635 GLN HB3 . 15444 1 686 . 1 1 75 75 GLN HG2 H 1 2.426 0.020 . 2 . . . . 635 GLN HG2 . 15444 1 687 . 1 1 75 75 GLN HG3 H 1 2.376 0.020 . 2 . . . . 635 GLN HG3 . 15444 1 688 . 1 1 75 75 GLN C C 13 176.714 0.400 . 1 . . . . 635 GLN C . 15444 1 689 . 1 1 75 75 GLN CA C 13 58.185 0.400 . 1 . . . . 635 GLN CA . 15444 1 690 . 1 1 75 75 GLN CB C 13 27.589 0.400 . 1 . . . . 635 GLN CB . 15444 1 691 . 1 1 75 75 GLN CG C 13 33.919 0.400 . 1 . . . . 635 GLN CG . 15444 1 692 . 1 1 75 75 GLN N N 15 114.271 0.400 . 1 . . . . 635 GLN N . 15444 1 693 . 1 1 76 76 GLN H H 1 7.994 0.020 . 1 . . . . 636 GLN H . 15444 1 694 . 1 1 76 76 GLN HA H 1 4.281 0.020 . 1 . . . . 636 GLN HA . 15444 1 695 . 1 1 76 76 GLN HB2 H 1 2.240 0.020 . 2 . . . . 636 GLN HB2 . 15444 1 696 . 1 1 76 76 GLN HB3 H 1 1.962 0.020 . 2 . . . . 636 GLN HB3 . 15444 1 697 . 1 1 76 76 GLN HG2 H 1 2.271 0.020 . 2 . . . . 636 GLN HG2 . 15444 1 698 . 1 1 76 76 GLN HG3 H 1 2.271 0.020 . 2 . . . . 636 GLN HG3 . 15444 1 699 . 1 1 76 76 GLN C C 13 175.712 0.400 . 1 . . . . 636 GLN C . 15444 1 700 . 1 1 76 76 GLN CA C 13 55.398 0.400 . 1 . . . . 636 GLN CA . 15444 1 701 . 1 1 76 76 GLN CB C 13 29.817 0.400 . 1 . . . . 636 GLN CB . 15444 1 702 . 1 1 76 76 GLN CG C 13 34.583 0.400 . 1 . . . . 636 GLN CG . 15444 1 703 . 1 1 76 76 GLN N N 15 116.652 0.400 . 1 . . . . 636 GLN N . 15444 1 704 . 1 1 77 77 ARG H H 1 7.208 0.020 . 1 . . . . 637 ARG H . 15444 1 705 . 1 1 77 77 ARG C C 13 176.118 0.400 . 1 . . . . 637 ARG C . 15444 1 706 . 1 1 77 77 ARG CA C 13 57.313 0.400 . 1 . . . . 637 ARG CA . 15444 1 707 . 1 1 77 77 ARG CB C 13 29.820 0.400 . 1 . . . . 637 ARG CB . 15444 1 708 . 1 1 77 77 ARG CD C 13 44.138 0.400 . 1 . . . . 637 ARG CD . 15444 1 709 . 1 1 77 77 ARG CG C 13 33.741 0.400 . 1 . . . . 637 ARG CG . 15444 1 710 . 1 1 77 77 ARG N N 15 120.082 0.400 . 1 . . . . 637 ARG N . 15444 1 711 . 1 1 78 78 ARG H H 1 8.493 0.020 . 1 . . . . 638 ARG H . 15444 1 712 . 1 1 78 78 ARG HA H 1 4.531 0.020 . 1 . . . . 638 ARG HA . 15444 1 713 . 1 1 78 78 ARG HB2 H 1 1.799 0.020 . 2 . . . . 638 ARG HB2 . 15444 1 714 . 1 1 78 78 ARG HB3 H 1 1.642 0.020 . 2 . . . . 638 ARG HB3 . 15444 1 715 . 1 1 78 78 ARG HD2 H 1 3.156 0.020 . 2 . . . . 638 ARG HD2 . 15444 1 716 . 1 1 78 78 ARG HD3 H 1 3.091 0.020 . 2 . . . . 638 ARG HD3 . 15444 1 717 . 1 1 78 78 ARG HG2 H 1 1.556 0.020 . 2 . . . . 638 ARG HG2 . 15444 1 718 . 1 1 78 78 ARG HG3 H 1 1.514 0.020 . 2 . . . . 638 ARG HG3 . 15444 1 719 . 1 1 78 78 ARG C C 13 176.469 0.400 . 1 . . . . 638 ARG C . 15444 1 720 . 1 1 78 78 ARG CA C 13 54.619 0.400 . 1 . . . . 638 ARG CA . 15444 1 721 . 1 1 78 78 ARG CB C 13 32.411 0.400 . 1 . . . . 638 ARG CB . 15444 1 722 . 1 1 78 78 ARG CD C 13 43.164 0.400 . 1 . . . . 638 ARG CD . 15444 1 723 . 1 1 78 78 ARG CG C 13 26.803 0.400 . 1 . . . . 638 ARG CG . 15444 1 724 . 1 1 78 78 ARG N N 15 122.734 0.400 . 1 . . . . 638 ARG N . 15444 1 725 . 1 1 79 79 GLY H H 1 8.453 0.020 . 1 . . . . 639 GLY H . 15444 1 726 . 1 1 79 79 GLY HA2 H 1 4.001 0.020 . 2 . . . . 639 GLY HA2 . 15444 1 727 . 1 1 79 79 GLY HA3 H 1 3.766 0.020 . 2 . . . . 639 GLY HA3 . 15444 1 728 . 1 1 79 79 GLY C C 13 173.877 0.400 . 1 . . . . 639 GLY C . 15444 1 729 . 1 1 79 79 GLY CA C 13 44.138 0.400 . 1 . . . . 639 GLY CA . 15444 1 730 . 1 1 79 79 GLY N N 15 109.464 0.400 . 1 . . . . 639 GLY N . 15444 1 731 . 1 1 80 80 GLU H H 1 8.378 0.020 . 1 . . . . 640 GLU H . 15444 1 732 . 1 1 80 80 GLU HA H 1 4.333 0.020 . 1 . . . . 640 GLU HA . 15444 1 733 . 1 1 80 80 GLU HB2 H 1 1.936 0.020 . 2 . . . . 640 GLU HB2 . 15444 1 734 . 1 1 80 80 GLU HB3 H 1 1.871 0.020 . 2 . . . . 640 GLU HB3 . 15444 1 735 . 1 1 80 80 GLU HG2 H 1 2.280 0.020 . 2 . . . . 640 GLU HG2 . 15444 1 736 . 1 1 80 80 GLU HG3 H 1 2.280 0.020 . 2 . . . . 640 GLU HG3 . 15444 1 737 . 1 1 80 80 GLU C C 13 175.392 0.400 . 1 . . . . 640 GLU C . 15444 1 738 . 1 1 80 80 GLU CA C 13 54.839 0.400 . 1 . . . . 640 GLU CA . 15444 1 739 . 1 1 80 80 GLU CB C 13 29.051 0.400 . 1 . . . . 640 GLU CB . 15444 1 740 . 1 1 80 80 GLU CG C 13 35.868 0.400 . 1 . . . . 640 GLU CG . 15444 1 741 . 1 1 80 80 GLU N N 15 122.792 0.400 . 1 . . . . 640 GLU N . 15444 1 742 . 1 1 81 81 PRO HA H 1 4.504 0.020 . 1 . . . . 641 PRO HA . 15444 1 743 . 1 1 81 81 PRO HB2 H 1 2.331 0.020 . 2 . . . . 641 PRO HB2 . 15444 1 744 . 1 1 81 81 PRO HB3 H 1 1.805 0.020 . 2 . . . . 641 PRO HB3 . 15444 1 745 . 1 1 81 81 PRO HD2 H 1 3.797 0.020 . 2 . . . . 641 PRO HD2 . 15444 1 746 . 1 1 81 81 PRO HD3 H 1 3.624 0.020 . 2 . . . . 641 PRO HD3 . 15444 1 747 . 1 1 81 81 PRO HG2 H 1 1.968 0.020 . 2 . . . . 641 PRO HG2 . 15444 1 748 . 1 1 81 81 PRO HG3 H 1 1.968 0.020 . 2 . . . . 641 PRO HG3 . 15444 1 749 . 1 1 81 81 PRO C C 13 176.556 0.400 . 1 . . . . 641 PRO C . 15444 1 750 . 1 1 81 81 PRO CA C 13 63.140 0.400 . 1 . . . . 641 PRO CA . 15444 1 751 . 1 1 81 81 PRO CB C 13 32.069 0.400 . 1 . . . . 641 PRO CB . 15444 1 752 . 1 1 81 81 PRO CG C 13 27.402 0.400 . 1 . . . . 641 PRO CG . 15444 1 753 . 1 1 82 82 VAL H H 1 8.306 0.020 . 1 . . . . 642 VAL H . 15444 1 754 . 1 1 82 82 VAL HA H 1 4.353 0.020 . 1 . . . . 642 VAL HA . 15444 1 755 . 1 1 82 82 VAL HB H 1 1.760 0.020 . 1 . . . . 642 VAL HB . 15444 1 756 . 1 1 82 82 VAL HG11 H 1 0.847 0.020 . 2 . . . . 642 VAL HG1 . 15444 1 757 . 1 1 82 82 VAL HG12 H 1 0.847 0.020 . 2 . . . . 642 VAL HG1 . 15444 1 758 . 1 1 82 82 VAL HG13 H 1 0.847 0.020 . 2 . . . . 642 VAL HG1 . 15444 1 759 . 1 1 82 82 VAL HG21 H 1 0.908 0.020 . 2 . . . . 642 VAL HG2 . 15444 1 760 . 1 1 82 82 VAL HG22 H 1 0.908 0.020 . 2 . . . . 642 VAL HG2 . 15444 1 761 . 1 1 82 82 VAL HG23 H 1 0.908 0.020 . 2 . . . . 642 VAL HG2 . 15444 1 762 . 1 1 82 82 VAL C C 13 173.418 0.400 . 1 . . . . 642 VAL C . 15444 1 763 . 1 1 82 82 VAL CA C 13 59.220 0.400 . 1 . . . . 642 VAL CA . 15444 1 764 . 1 1 82 82 VAL CB C 13 34.584 0.400 . 1 . . . . 642 VAL CB . 15444 1 765 . 1 1 82 82 VAL CG1 C 13 21.103 0.400 . 1 . . . . 642 VAL CG1 . 15444 1 766 . 1 1 82 82 VAL CG2 C 13 21.422 0.400 . 1 . . . . 642 VAL CG2 . 15444 1 767 . 1 1 82 82 VAL N N 15 124.090 0.400 . 1 . . . . 642 VAL N . 15444 1 768 . 1 1 83 83 PRO HA H 1 4.284 0.020 . 1 . . . . 643 PRO HA . 15444 1 769 . 1 1 83 83 PRO HB2 H 1 2.443 0.020 . 2 . . . . 643 PRO HB2 . 15444 1 770 . 1 1 83 83 PRO HB3 H 1 1.960 0.020 . 2 . . . . 643 PRO HB3 . 15444 1 771 . 1 1 83 83 PRO HD2 H 1 3.893 0.020 . 2 . . . . 643 PRO HD2 . 15444 1 772 . 1 1 83 83 PRO HD3 H 1 3.475 0.020 . 2 . . . . 643 PRO HD3 . 15444 1 773 . 1 1 83 83 PRO HG2 H 1 2.116 0.020 . 2 . . . . 643 PRO HG2 . 15444 1 774 . 1 1 83 83 PRO HG3 H 1 2.038 0.020 . 2 . . . . 643 PRO HG3 . 15444 1 775 . 1 1 83 83 PRO C C 13 177.687 0.400 . 1 . . . . 643 PRO C . 15444 1 776 . 1 1 83 83 PRO CA C 13 63.283 0.400 . 1 . . . . 643 PRO CA . 15444 1 777 . 1 1 83 83 PRO CB C 13 32.935 0.400 . 1 . . . . 643 PRO CB . 15444 1 778 . 1 1 83 83 PRO CG C 13 27.753 0.400 . 1 . . . . 643 PRO CG . 15444 1 779 . 1 1 84 84 GLN H H 1 8.918 0.020 . 1 . . . . 644 GLN H . 15444 1 780 . 1 1 84 84 GLN HA H 1 3.640 0.020 . 1 . . . . 644 GLN HA . 15444 1 781 . 1 1 84 84 GLN HB2 H 1 2.281 0.020 . 2 . . . . 644 GLN HB2 . 15444 1 782 . 1 1 84 84 GLN HB3 H 1 1.948 0.020 . 2 . . . . 644 GLN HB3 . 15444 1 783 . 1 1 84 84 GLN HG2 H 1 2.359 0.020 . 2 . . . . 644 GLN HG2 . 15444 1 784 . 1 1 84 84 GLN HG3 H 1 2.359 0.020 . 2 . . . . 644 GLN HG3 . 15444 1 785 . 1 1 84 84 GLN C C 13 176.575 0.400 . 1 . . . . 644 GLN C . 15444 1 786 . 1 1 84 84 GLN CA C 13 58.465 0.400 . 1 . . . . 644 GLN CA . 15444 1 787 . 1 1 84 84 GLN CB C 13 28.533 0.400 . 1 . . . . 644 GLN CB . 15444 1 788 . 1 1 84 84 GLN CG C 13 33.498 0.400 . 1 . . . . 644 GLN CG . 15444 1 789 . 1 1 84 84 GLN N N 15 124.973 0.400 . 1 . . . . 644 GLN N . 15444 1 790 . 1 1 85 85 ASP H H 1 8.833 0.020 . 1 . . . . 645 ASP H . 15444 1 791 . 1 1 85 85 ASP HA H 1 4.347 0.020 . 1 . . . . 645 ASP HA . 15444 1 792 . 1 1 85 85 ASP HB2 H 1 2.644 0.020 . 2 . . . . 645 ASP HB2 . 15444 1 793 . 1 1 85 85 ASP HB3 H 1 2.536 0.020 . 2 . . . . 645 ASP HB3 . 15444 1 794 . 1 1 85 85 ASP C C 13 179.175 0.400 . 1 . . . . 645 ASP C . 15444 1 795 . 1 1 85 85 ASP CA C 13 56.884 0.400 . 1 . . . . 645 ASP CA . 15444 1 796 . 1 1 85 85 ASP CB C 13 39.474 0.400 . 1 . . . . 645 ASP CB . 15444 1 797 . 1 1 85 85 ASP N N 15 115.699 0.400 . 1 . . . . 645 ASP N . 15444 1 798 . 1 1 86 86 LEU H H 1 7.132 0.020 . 1 . . . . 646 LEU H . 15444 1 799 . 1 1 86 86 LEU HA H 1 4.182 0.020 . 1 . . . . 646 LEU HA . 15444 1 800 . 1 1 86 86 LEU HB2 H 1 1.287 0.020 . 2 . . . . 646 LEU HB2 . 15444 1 801 . 1 1 86 86 LEU HB3 H 1 1.835 0.020 . 2 . . . . 646 LEU HB3 . 15444 1 802 . 1 1 86 86 LEU HD11 H 1 0.902 0.020 . 2 . . . . 646 LEU HD1 . 15444 1 803 . 1 1 86 86 LEU HD12 H 1 0.902 0.020 . 2 . . . . 646 LEU HD1 . 15444 1 804 . 1 1 86 86 LEU HD13 H 1 0.902 0.020 . 2 . . . . 646 LEU HD1 . 15444 1 805 . 1 1 86 86 LEU HD21 H 1 0.813 0.020 . 2 . . . . 646 LEU HD2 . 15444 1 806 . 1 1 86 86 LEU HD22 H 1 0.813 0.020 . 2 . . . . 646 LEU HD2 . 15444 1 807 . 1 1 86 86 LEU HD23 H 1 0.813 0.020 . 2 . . . . 646 LEU HD2 . 15444 1 808 . 1 1 86 86 LEU HG H 1 1.668 0.020 . 1 . . . . 646 LEU HG . 15444 1 809 . 1 1 86 86 LEU C C 13 178.751 0.400 . 1 . . . . 646 LEU C . 15444 1 810 . 1 1 86 86 LEU CA C 13 57.141 0.400 . 1 . . . . 646 LEU CA . 15444 1 811 . 1 1 86 86 LEU CB C 13 41.678 0.400 . 1 . . . . 646 LEU CB . 15444 1 812 . 1 1 86 86 LEU CD1 C 13 25.332 0.400 . 1 . . . . 646 LEU CD1 . 15444 1 813 . 1 1 86 86 LEU CD2 C 13 24.219 0.400 . 1 . . . . 646 LEU CD2 . 15444 1 814 . 1 1 86 86 LEU CG C 13 26.927 0.400 . 1 . . . . 646 LEU CG . 15444 1 815 . 1 1 86 86 LEU N N 15 119.349 0.400 . 1 . . . . 646 LEU N . 15444 1 816 . 1 1 87 87 LEU H H 1 7.506 0.020 . 1 . . . . 647 LEU H . 15444 1 817 . 1 1 87 87 LEU HA H 1 3.793 0.020 . 1 . . . . 647 LEU HA . 15444 1 818 . 1 1 87 87 LEU HB2 H 1 1.225 0.020 . 2 . . . . 647 LEU HB2 . 15444 1 819 . 1 1 87 87 LEU HB3 H 1 2.011 0.020 . 2 . . . . 647 LEU HB3 . 15444 1 820 . 1 1 87 87 LEU HD11 H 1 0.681 0.020 . 2 . . . . 647 LEU HD1 . 15444 1 821 . 1 1 87 87 LEU HD12 H 1 0.681 0.020 . 2 . . . . 647 LEU HD1 . 15444 1 822 . 1 1 87 87 LEU HD13 H 1 0.681 0.020 . 2 . . . . 647 LEU HD1 . 15444 1 823 . 1 1 87 87 LEU HD21 H 1 0.532 0.020 . 2 . . . . 647 LEU HD2 . 15444 1 824 . 1 1 87 87 LEU HD22 H 1 0.532 0.020 . 2 . . . . 647 LEU HD2 . 15444 1 825 . 1 1 87 87 LEU HD23 H 1 0.532 0.020 . 2 . . . . 647 LEU HD2 . 15444 1 826 . 1 1 87 87 LEU HG H 1 1.516 0.020 . 1 . . . . 647 LEU HG . 15444 1 827 . 1 1 87 87 LEU C C 13 178.763 0.400 . 1 . . . . 647 LEU C . 15444 1 828 . 1 1 87 87 LEU CA C 13 57.970 0.400 . 1 . . . . 647 LEU CA . 15444 1 829 . 1 1 87 87 LEU CB C 13 40.290 0.400 . 1 . . . . 647 LEU CB . 15444 1 830 . 1 1 87 87 LEU CD1 C 13 26.268 0.400 . 1 . . . . 647 LEU CD1 . 15444 1 831 . 1 1 87 87 LEU CD2 C 13 21.498 0.400 . 1 . . . . 647 LEU CD2 . 15444 1 832 . 1 1 87 87 LEU CG C 13 25.782 0.400 . 1 . . . . 647 LEU CG . 15444 1 833 . 1 1 87 87 LEU N N 15 119.814 0.400 . 1 . . . . 647 LEU N . 15444 1 834 . 1 1 88 88 ASP H H 1 8.867 0.020 . 1 . . . . 648 ASP H . 15444 1 835 . 1 1 88 88 ASP HA H 1 4.365 0.020 . 1 . . . . 648 ASP HA . 15444 1 836 . 1 1 88 88 ASP HB2 H 1 2.763 0.020 . 2 . . . . 648 ASP HB2 . 15444 1 837 . 1 1 88 88 ASP HB3 H 1 2.628 0.020 . 2 . . . . 648 ASP HB3 . 15444 1 838 . 1 1 88 88 ASP C C 13 180.266 0.400 . 1 . . . . 648 ASP C . 15444 1 839 . 1 1 88 88 ASP CA C 13 57.702 0.400 . 1 . . . . 648 ASP CA . 15444 1 840 . 1 1 88 88 ASP CB C 13 39.700 0.400 . 1 . . . . 648 ASP CB . 15444 1 841 . 1 1 88 88 ASP N N 15 119.524 0.400 . 1 . . . . 648 ASP N . 15444 1 842 . 1 1 89 89 ARG H H 1 7.351 0.020 . 1 . . . . 649 ARG H . 15444 1 843 . 1 1 89 89 ARG HA H 1 4.132 0.020 . 1 . . . . 649 ARG HA . 15444 1 844 . 1 1 89 89 ARG HB2 H 1 1.972 0.020 . 2 . . . . 649 ARG HB2 . 15444 1 845 . 1 1 89 89 ARG HB3 H 1 2.185 0.020 . 2 . . . . 649 ARG HB3 . 15444 1 846 . 1 1 89 89 ARG HD2 H 1 3.331 0.020 . 2 . . . . 649 ARG HD2 . 15444 1 847 . 1 1 89 89 ARG HD3 H 1 3.331 0.020 . 2 . . . . 649 ARG HD3 . 15444 1 848 . 1 1 89 89 ARG HG2 H 1 1.999 0.020 . 2 . . . . 649 ARG HG2 . 15444 1 849 . 1 1 89 89 ARG HG3 H 1 1.756 0.020 . 2 . . . . 649 ARG HG3 . 15444 1 850 . 1 1 89 89 ARG C C 13 180.174 0.400 . 1 . . . . 649 ARG C . 15444 1 851 . 1 1 89 89 ARG CA C 13 59.385 0.400 . 1 . . . . 649 ARG CA . 15444 1 852 . 1 1 89 89 ARG CB C 13 31.994 0.400 . 1 . . . . 649 ARG CB . 15444 1 853 . 1 1 89 89 ARG CG C 13 26.697 0.400 . 1 . . . . 649 ARG CG . 15444 1 854 . 1 1 89 89 ARG N N 15 120.965 0.400 . 1 . . . . 649 ARG N . 15444 1 855 . 1 1 90 90 VAL H H 1 8.412 0.020 . 1 . . . . 650 VAL H . 15444 1 856 . 1 1 90 90 VAL HA H 1 3.808 0.020 . 1 . . . . 650 VAL HA . 15444 1 857 . 1 1 90 90 VAL HB H 1 2.332 0.020 . 1 . . . . 650 VAL HB . 15444 1 858 . 1 1 90 90 VAL HG11 H 1 0.060 0.020 . 2 . . . . 650 VAL HG1 . 15444 1 859 . 1 1 90 90 VAL HG12 H 1 0.060 0.020 . 2 . . . . 650 VAL HG1 . 15444 1 860 . 1 1 90 90 VAL HG13 H 1 0.060 0.020 . 2 . . . . 650 VAL HG1 . 15444 1 861 . 1 1 90 90 VAL HG21 H 1 0.891 0.020 . 2 . . . . 650 VAL HG2 . 15444 1 862 . 1 1 90 90 VAL HG22 H 1 0.891 0.020 . 2 . . . . 650 VAL HG2 . 15444 1 863 . 1 1 90 90 VAL HG23 H 1 0.891 0.020 . 2 . . . . 650 VAL HG2 . 15444 1 864 . 1 1 90 90 VAL C C 13 177.384 0.400 . 1 . . . . 650 VAL C . 15444 1 865 . 1 1 90 90 VAL CA C 13 66.528 0.400 . 1 . . . . 650 VAL CA . 15444 1 866 . 1 1 90 90 VAL CB C 13 31.223 0.400 . 1 . . . . 650 VAL CB . 15444 1 867 . 1 1 90 90 VAL CG1 C 13 20.672 0.400 . 1 . . . . 650 VAL CG1 . 15444 1 868 . 1 1 90 90 VAL CG2 C 13 23.759 0.400 . 1 . . . . 650 VAL CG2 . 15444 1 869 . 1 1 90 90 VAL N N 15 123.203 0.400 . 1 . . . . 650 VAL N . 15444 1 870 . 1 1 91 91 LEU H H 1 7.986 0.020 . 1 . . . . 651 LEU H . 15444 1 871 . 1 1 91 91 LEU HA H 1 4.007 0.020 . 1 . . . . 651 LEU HA . 15444 1 872 . 1 1 91 91 LEU HB2 H 1 1.764 0.020 . 2 . . . . 651 LEU HB2 . 15444 1 873 . 1 1 91 91 LEU HB3 H 1 1.621 0.020 . 2 . . . . 651 LEU HB3 . 15444 1 874 . 1 1 91 91 LEU HD11 H 1 0.728 0.020 . 2 . . . . 651 LEU HD1 . 15444 1 875 . 1 1 91 91 LEU HD12 H 1 0.728 0.020 . 2 . . . . 651 LEU HD1 . 15444 1 876 . 1 1 91 91 LEU HD13 H 1 0.728 0.020 . 2 . . . . 651 LEU HD1 . 15444 1 877 . 1 1 91 91 LEU HD21 H 1 0.816 0.020 . 2 . . . . 651 LEU HD2 . 15444 1 878 . 1 1 91 91 LEU HD22 H 1 0.816 0.020 . 2 . . . . 651 LEU HD2 . 15444 1 879 . 1 1 91 91 LEU HD23 H 1 0.816 0.020 . 2 . . . . 651 LEU HD2 . 15444 1 880 . 1 1 91 91 LEU HG H 1 1.640 0.020 . 1 . . . . 651 LEU HG . 15444 1 881 . 1 1 91 91 LEU C C 13 179.993 0.400 . 1 . . . . 651 LEU C . 15444 1 882 . 1 1 91 91 LEU CA C 13 58.064 0.400 . 1 . . . . 651 LEU CA . 15444 1 883 . 1 1 91 91 LEU CB C 13 41.518 0.400 . 1 . . . . 651 LEU CB . 15444 1 884 . 1 1 91 91 LEU CD1 C 13 23.007 0.400 . 1 . . . . 651 LEU CD1 . 15444 1 885 . 1 1 91 91 LEU CD2 C 13 24.613 0.400 . 1 . . . . 651 LEU CD2 . 15444 1 886 . 1 1 91 91 LEU CG C 13 26.303 0.400 . 1 . . . . 651 LEU CG . 15444 1 887 . 1 1 91 91 LEU N N 15 118.258 0.400 . 1 . . . . 651 LEU N . 15444 1 888 . 1 1 92 92 ALA H H 1 8.003 0.020 . 1 . . . . 652 ALA H . 15444 1 889 . 1 1 92 92 ALA HA H 1 4.237 0.020 . 1 . . . . 652 ALA HA . 15444 1 890 . 1 1 92 92 ALA HB1 H 1 1.486 0.020 . 1 . . . . 652 ALA HB . 15444 1 891 . 1 1 92 92 ALA HB2 H 1 1.486 0.020 . 1 . . . . 652 ALA HB . 15444 1 892 . 1 1 92 92 ALA HB3 H 1 1.486 0.020 . 1 . . . . 652 ALA HB . 15444 1 893 . 1 1 92 92 ALA C C 13 180.568 0.400 . 1 . . . . 652 ALA C . 15444 1 894 . 1 1 92 92 ALA CA C 13 55.102 0.400 . 1 . . . . 652 ALA CA . 15444 1 895 . 1 1 92 92 ALA CB C 13 18.153 0.400 . 1 . . . . 652 ALA CB . 15444 1 896 . 1 1 92 92 ALA N N 15 121.283 0.400 . 1 . . . . 652 ALA N . 15444 1 897 . 1 1 93 93 ALA H H 1 8.485 0.020 . 1 . . . . 653 ALA H . 15444 1 898 . 1 1 93 93 ALA HA H 1 4.554 0.020 . 1 . . . . 653 ALA HA . 15444 1 899 . 1 1 93 93 ALA HB1 H 1 1.827 0.020 . 1 . . . . 653 ALA HB . 15444 1 900 . 1 1 93 93 ALA HB2 H 1 1.827 0.020 . 1 . . . . 653 ALA HB . 15444 1 901 . 1 1 93 93 ALA HB3 H 1 1.827 0.020 . 1 . . . . 653 ALA HB . 15444 1 902 . 1 1 93 93 ALA C C 13 179.361 0.400 . 1 . . . . 653 ALA C . 15444 1 903 . 1 1 93 93 ALA CA C 13 55.069 0.400 . 1 . . . . 653 ALA CA . 15444 1 904 . 1 1 93 93 ALA CB C 13 18.350 0.400 . 1 . . . . 653 ALA CB . 15444 1 905 . 1 1 93 93 ALA N N 15 122.215 0.400 . 1 . . . . 653 ALA N . 15444 1 906 . 1 1 94 94 HIS H H 1 9.297 0.020 . 1 . . . . 654 HIS H . 15444 1 907 . 1 1 94 94 HIS HA H 1 4.647 0.020 . 1 . . . . 654 HIS HA . 15444 1 908 . 1 1 94 94 HIS HB2 H 1 3.381 0.020 . 2 . . . . 654 HIS HB2 . 15444 1 909 . 1 1 94 94 HIS HB3 H 1 3.381 0.020 . 2 . . . . 654 HIS HB3 . 15444 1 910 . 1 1 94 94 HIS C C 13 178.940 0.400 . 1 . . . . 654 HIS C . 15444 1 911 . 1 1 94 94 HIS CA C 13 60.635 0.400 . 1 . . . . 654 HIS CA . 15444 1 912 . 1 1 94 94 HIS CB C 13 31.877 0.400 . 1 . . . . 654 HIS CB . 15444 1 913 . 1 1 94 94 HIS N N 15 118.830 0.400 . 1 . . . . 654 HIS N . 15444 1 914 . 1 1 95 95 ALA H H 1 8.417 0.020 . 1 . . . . 655 ALA H . 15444 1 915 . 1 1 95 95 ALA HA H 1 3.943 0.020 . 1 . . . . 655 ALA HA . 15444 1 916 . 1 1 95 95 ALA HB1 H 1 1.515 0.020 . 1 . . . . 655 ALA HB . 15444 1 917 . 1 1 95 95 ALA HB2 H 1 1.515 0.020 . 1 . . . . 655 ALA HB . 15444 1 918 . 1 1 95 95 ALA HB3 H 1 1.515 0.020 . 1 . . . . 655 ALA HB . 15444 1 919 . 1 1 95 95 ALA C C 13 179.711 0.400 . 1 . . . . 655 ALA C . 15444 1 920 . 1 1 95 95 ALA CA C 13 55.267 0.400 . 1 . . . . 655 ALA CA . 15444 1 921 . 1 1 95 95 ALA CB C 13 18.120 0.400 . 1 . . . . 655 ALA CB . 15444 1 922 . 1 1 95 95 ALA N N 15 121.811 0.400 . 1 . . . . 655 ALA N . 15444 1 923 . 1 1 96 96 TYR H H 1 8.094 0.020 . 1 . . . . 656 TYR H . 15444 1 924 . 1 1 96 96 TYR HA H 1 3.941 0.020 . 1 . . . . 656 TYR HA . 15444 1 925 . 1 1 96 96 TYR HB2 H 1 2.764 0.020 . 2 . . . . 656 TYR HB2 . 15444 1 926 . 1 1 96 96 TYR HB3 H 1 3.043 0.020 . 2 . . . . 656 TYR HB3 . 15444 1 927 . 1 1 96 96 TYR HD1 H 1 5.906 0.020 . 1 . . . . 656 TYR HD1 . 15444 1 928 . 1 1 96 96 TYR C C 13 178.392 0.400 . 1 . . . . 656 TYR C . 15444 1 929 . 1 1 96 96 TYR CA C 13 61.557 0.400 . 1 . . . . 656 TYR CA . 15444 1 930 . 1 1 96 96 TYR CB C 13 38.450 0.400 . 1 . . . . 656 TYR CB . 15444 1 931 . 1 1 96 96 TYR N N 15 118.708 0.400 . 1 . . . . 656 TYR N . 15444 1 932 . 1 1 97 97 TRP H H 1 8.657 0.020 . 1 . . . . 657 TRP H . 15444 1 933 . 1 1 97 97 TRP HA H 1 4.284 0.020 . 1 . . . . 657 TRP HA . 15444 1 934 . 1 1 97 97 TRP HB2 H 1 3.480 0.020 . 2 . . . . 657 TRP HB2 . 15444 1 935 . 1 1 97 97 TRP HB3 H 1 3.078 0.020 . 2 . . . . 657 TRP HB3 . 15444 1 936 . 1 1 97 97 TRP HD1 H 1 7.242 0.020 . 1 . . . . 657 TRP HD1 . 15444 1 937 . 1 1 97 97 TRP HE1 H 1 9.419 0.020 . 1 . . . . 657 TRP HE1 . 15444 1 938 . 1 1 97 97 TRP C C 13 178.807 0.400 . 1 . . . . 657 TRP C . 15444 1 939 . 1 1 97 97 TRP CA C 13 59.798 0.400 . 1 . . . . 657 TRP CA . 15444 1 940 . 1 1 97 97 TRP CB C 13 29.052 0.400 . 1 . . . . 657 TRP CB . 15444 1 941 . 1 1 97 97 TRP N N 15 117.975 0.400 . 1 . . . . 657 TRP N . 15444 1 942 . 1 1 97 97 TRP NE1 N 15 128.394 0.400 . 1 . . . . 657 TRP NE1 . 15444 1 943 . 1 1 98 98 SER H H 1 8.066 0.020 . 1 . . . . 658 SER H . 15444 1 944 . 1 1 98 98 SER HA H 1 4.268 0.020 . 1 . . . . 658 SER HA . 15444 1 945 . 1 1 98 98 SER HB2 H 1 3.793 0.020 . 2 . . . . 658 SER HB2 . 15444 1 946 . 1 1 98 98 SER HB3 H 1 3.709 0.020 . 2 . . . . 658 SER HB3 . 15444 1 947 . 1 1 98 98 SER C C 13 175.658 0.400 . 1 . . . . 658 SER C . 15444 1 948 . 1 1 98 98 SER CA C 13 61.170 0.400 . 1 . . . . 658 SER CA . 15444 1 949 . 1 1 98 98 SER CB C 13 62.935 0.400 . 1 . . . . 658 SER CB . 15444 1 950 . 1 1 98 98 SER N N 15 115.506 0.400 . 1 . . . . 658 SER N . 15444 1 951 . 1 1 99 99 GLN H H 1 7.331 0.020 . 1 . . . . 659 GLN H . 15444 1 952 . 1 1 99 99 GLN HA H 1 4.204 0.020 . 1 . . . . 659 GLN HA . 15444 1 953 . 1 1 99 99 GLN HB2 H 1 2.073 0.020 . 2 . . . . 659 GLN HB2 . 15444 1 954 . 1 1 99 99 GLN HB3 H 1 1.973 0.020 . 2 . . . . 659 GLN HB3 . 15444 1 955 . 1 1 99 99 GLN HG2 H 1 2.351 0.020 . 2 . . . . 659 GLN HG2 . 15444 1 956 . 1 1 99 99 GLN HG3 H 1 2.351 0.020 . 2 . . . . 659 GLN HG3 . 15444 1 957 . 1 1 99 99 GLN C C 13 176.816 0.400 . 1 . . . . 659 GLN C . 15444 1 958 . 1 1 99 99 GLN CA C 13 56.783 0.400 . 1 . . . . 659 GLN CA . 15444 1 959 . 1 1 99 99 GLN CB C 13 28.937 0.400 . 1 . . . . 659 GLN CB . 15444 1 960 . 1 1 99 99 GLN N N 15 119.430 0.400 . 1 . . . . 659 GLN N . 15444 1 961 . 1 1 100 100 GLN H H 1 7.644 0.020 . 1 . . . . 660 GLN H . 15444 1 962 . 1 1 100 100 GLN HA H 1 4.041 0.020 . 1 . . . . 660 GLN HA . 15444 1 963 . 1 1 100 100 GLN HB2 H 1 2.079 0.020 . 2 . . . . 660 GLN HB2 . 15444 1 964 . 1 1 100 100 GLN HB3 H 1 1.804 0.020 . 2 . . . . 660 GLN HB3 . 15444 1 965 . 1 1 100 100 GLN HG2 H 1 1.938 0.020 . 2 . . . . 660 GLN HG2 . 15444 1 966 . 1 1 100 100 GLN HG3 H 1 1.938 0.020 . 2 . . . . 660 GLN HG3 . 15444 1 967 . 1 1 100 100 GLN C C 13 176.579 0.400 . 1 . . . . 660 GLN C . 15444 1 968 . 1 1 100 100 GLN CA C 13 55.997 0.400 . 1 . . . . 660 GLN CA . 15444 1 969 . 1 1 100 100 GLN CB C 13 28.533 0.400 . 1 . . . . 660 GLN CB . 15444 1 970 . 1 1 100 100 GLN N N 15 118.275 0.400 . 1 . . . . 660 GLN N . 15444 1 971 . 1 1 101 101 GLN H H 1 7.999 0.020 . 1 . . . . 661 GLN H . 15444 1 972 . 1 1 101 101 GLN C C 13 176.694 0.400 . 1 . . . . 661 GLN C . 15444 1 973 . 1 1 101 101 GLN CA C 13 56.511 0.400 . 1 . . . . 661 GLN CA . 15444 1 974 . 1 1 101 101 GLN CB C 13 28.918 0.400 . 1 . . . . 661 GLN CB . 15444 1 975 . 1 1 101 101 GLN N N 15 119.223 0.400 . 1 . . . . 661 GLN N . 15444 1 976 . 1 1 102 102 GLY H H 1 8.242 0.020 . 1 . . . . 662 GLY H . 15444 1 977 . 1 1 102 102 GLY HA2 H 1 3.881 0.020 . 2 . . . . 662 GLY HA2 . 15444 1 978 . 1 1 102 102 GLY HA3 H 1 3.881 0.020 . 2 . . . . 662 GLY HA3 . 15444 1 979 . 1 1 102 102 GLY C C 13 174.204 0.400 . 1 . . . . 662 GLY C . 15444 1 980 . 1 1 102 102 GLY CA C 13 45.394 0.400 . 1 . . . . 662 GLY CA . 15444 1 981 . 1 1 102 102 GLY N N 15 109.344 0.400 . 1 . . . . 662 GLY N . 15444 1 982 . 1 1 103 103 LYS H H 1 7.942 0.020 . 1 . . . . 663 LYS H . 15444 1 983 . 1 1 103 103 LYS C C 13 176.496 0.400 . 1 . . . . 663 LYS C . 15444 1 984 . 1 1 103 103 LYS CA C 13 56.110 0.400 . 1 . . . . 663 LYS CA . 15444 1 985 . 1 1 103 103 LYS CB C 13 32.836 0.400 . 1 . . . . 663 LYS CB . 15444 1 986 . 1 1 103 103 LYS N N 15 120.281 0.400 . 1 . . . . 663 LYS N . 15444 1 987 . 1 1 104 104 GLN H H 1 8.335 0.020 . 1 . . . . 664 GLN H . 15444 1 988 . 1 1 104 104 GLN C C 13 175.551 0.400 . 1 . . . . 664 GLN C . 15444 1 989 . 1 1 104 104 GLN CA C 13 55.901 0.400 . 1 . . . . 664 GLN CA . 15444 1 990 . 1 1 104 104 GLN CB C 13 29.313 0.400 . 1 . . . . 664 GLN CB . 15444 1 991 . 1 1 104 104 GLN N N 15 120.850 0.400 . 1 . . . . 664 GLN N . 15444 1 992 . 1 1 105 105 HIS HA H 1 4.559 0.020 . 1 . . . . 665 HIS HA . 15444 1 993 . 1 1 105 105 HIS HB2 H 1 3.045 0.020 . 2 . . . . 665 HIS HB2 . 15444 1 994 . 1 1 105 105 HIS HB3 H 1 2.994 0.020 . 2 . . . . 665 HIS HB3 . 15444 1 995 . 1 1 105 105 HIS C C 13 174.719 0.400 . 1 . . . . 665 HIS C . 15444 1 996 . 1 1 105 105 HIS CA C 13 56.156 0.400 . 1 . . . . 665 HIS CA . 15444 1 997 . 1 1 105 105 HIS CB C 13 30.624 0.400 . 1 . . . . 665 HIS CB . 15444 1 998 . 1 1 106 106 VAL H H 1 7.977 0.020 . 1 . . . . 666 VAL H . 15444 1 999 . 1 1 106 106 VAL HA H 1 4.034 0.020 . 1 . . . . 666 VAL HA . 15444 1 1000 . 1 1 106 106 VAL HB H 1 1.909 0.020 . 1 . . . . 666 VAL HB . 15444 1 1001 . 1 1 106 106 VAL HG11 H 1 0.801 0.020 . 2 . . . . 666 VAL HG1 . 15444 1 1002 . 1 1 106 106 VAL HG12 H 1 0.801 0.020 . 2 . . . . 666 VAL HG1 . 15444 1 1003 . 1 1 106 106 VAL HG13 H 1 0.801 0.020 . 2 . . . . 666 VAL HG1 . 15444 1 1004 . 1 1 106 106 VAL HG21 H 1 0.801 0.020 . 2 . . . . 666 VAL HG2 . 15444 1 1005 . 1 1 106 106 VAL HG22 H 1 0.801 0.020 . 2 . . . . 666 VAL HG2 . 15444 1 1006 . 1 1 106 106 VAL HG23 H 1 0.801 0.020 . 2 . . . . 666 VAL HG2 . 15444 1 1007 . 1 1 106 106 VAL C C 13 175.441 0.400 . 1 . . . . 666 VAL C . 15444 1 1008 . 1 1 106 106 VAL CA C 13 61.764 0.400 . 1 . . . . 666 VAL CA . 15444 1 1009 . 1 1 106 106 VAL CB C 13 33.047 0.400 . 1 . . . . 666 VAL CB . 15444 1 1010 . 1 1 106 106 VAL N N 15 122.556 0.400 . 1 . . . . 666 VAL N . 15444 1 1011 . 1 1 107 107 GLU H H 1 8.400 0.020 . 1 . . . . 667 GLU H . 15444 1 1012 . 1 1 107 107 GLU HA H 1 4.493 0.020 . 1 . . . . 667 GLU HA . 15444 1 1013 . 1 1 107 107 GLU HB2 H 1 1.967 0.020 . 2 . . . . 667 GLU HB2 . 15444 1 1014 . 1 1 107 107 GLU HB3 H 1 1.819 0.020 . 2 . . . . 667 GLU HB3 . 15444 1 1015 . 1 1 107 107 GLU HG2 H 1 2.236 0.020 . 2 . . . . 667 GLU HG2 . 15444 1 1016 . 1 1 107 107 GLU HG3 H 1 2.236 0.020 . 2 . . . . 667 GLU HG3 . 15444 1 1017 . 1 1 107 107 GLU C C 13 174.336 0.400 . 1 . . . . 667 GLU C . 15444 1 1018 . 1 1 107 107 GLU CA C 13 54.169 0.400 . 1 . . . . 667 GLU CA . 15444 1 1019 . 1 1 107 107 GLU CB C 13 29.729 0.400 . 1 . . . . 667 GLU CB . 15444 1 1020 . 1 1 107 107 GLU N N 15 126.438 0.400 . 1 . . . . 667 GLU N . 15444 1 1021 . 1 1 108 108 PRO C C 13 176.657 0.400 . 1 . . . . 668 PRO C . 15444 1 1022 . 1 1 108 108 PRO CA C 13 62.913 0.400 . 1 . . . . 668 PRO CA . 15444 1 1023 . 1 1 108 108 PRO CB C 13 31.993 0.400 . 1 . . . . 668 PRO CB . 15444 1 1024 . 1 1 109 109 LEU H H 1 8.172 0.020 . 1 . . . . 669 LEU H . 15444 1 1025 . 1 1 109 109 LEU C C 13 177.165 0.400 . 1 . . . . 669 LEU C . 15444 1 1026 . 1 1 109 109 LEU CA C 13 55.417 0.400 . 1 . . . . 669 LEU CA . 15444 1 1027 . 1 1 109 109 LEU CB C 13 42.149 0.400 . 1 . . . . 669 LEU CB . 15444 1 1028 . 1 1 109 109 LEU N N 15 122.130 0.400 . 1 . . . . 669 LEU N . 15444 1 1029 . 1 1 110 110 LYS H H 1 8.202 0.020 . 1 . . . . 670 LYS H . 15444 1 1030 . 1 1 110 110 LYS C C 13 176.072 0.400 . 1 . . . . 670 LYS C . 15444 1 1031 . 1 1 110 110 LYS CA C 13 55.927 0.400 . 1 . . . . 670 LYS CA . 15444 1 1032 . 1 1 110 110 LYS CB C 13 32.791 0.400 . 1 . . . . 670 LYS CB . 15444 1 1033 . 1 1 110 110 LYS N N 15 122.932 0.400 . 1 . . . . 670 LYS N . 15444 1 1034 . 1 1 111 111 ILE H H 1 8.097 0.020 . 1 . . . . 671 ILE H . 15444 1 1035 . 1 1 111 111 ILE C C 13 176.082 0.400 . 1 . . . . 671 ILE C . 15444 1 1036 . 1 1 111 111 ILE CA C 13 60.933 0.400 . 1 . . . . 671 ILE CA . 15444 1 1037 . 1 1 111 111 ILE CB C 13 38.325 0.400 . 1 . . . . 671 ILE CB . 15444 1 1038 . 1 1 111 111 ILE N N 15 123.093 0.400 . 1 . . . . 671 ILE N . 15444 1 1039 . 1 1 112 112 LEU H H 1 8.280 0.020 . 1 . . . . 672 LEU H . 15444 1 1040 . 1 1 112 112 LEU C C 13 176.766 0.400 . 1 . . . . 672 LEU C . 15444 1 1041 . 1 1 112 112 LEU CA C 13 55.125 0.400 . 1 . . . . 672 LEU CA . 15444 1 1042 . 1 1 112 112 LEU CB C 13 42.221 0.400 . 1 . . . . 672 LEU CB . 15444 1 1043 . 1 1 112 112 LEU N N 15 126.521 0.400 . 1 . . . . 672 LEU N . 15444 1 1044 . 1 1 113 113 ASP H H 1 8.193 0.020 . 1 . . . . 673 ASP H . 15444 1 1045 . 1 1 113 113 ASP C C 13 176.140 0.400 . 1 . . . . 673 ASP C . 15444 1 1046 . 1 1 113 113 ASP CA C 13 53.952 0.400 . 1 . . . . 673 ASP CA . 15444 1 1047 . 1 1 113 113 ASP CB C 13 41.153 0.400 . 1 . . . . 673 ASP CB . 15444 1 1048 . 1 1 113 113 ASP N N 15 121.746 0.400 . 1 . . . . 673 ASP N . 15444 1 1049 . 1 1 114 114 ALA H H 1 8.265 0.020 . 1 . . . . 674 ALA H . 15444 1 1050 . 1 1 114 114 ALA C C 13 178.242 0.400 . 1 . . . . 674 ALA C . 15444 1 1051 . 1 1 114 114 ALA CA C 13 53.175 0.400 . 1 . . . . 674 ALA CA . 15444 1 1052 . 1 1 114 114 ALA CB C 13 18.889 0.400 . 1 . . . . 674 ALA CB . 15444 1 1053 . 1 1 114 114 ALA N N 15 125.206 0.400 . 1 . . . . 674 ALA N . 15444 1 1054 . 1 1 115 115 LYS H H 1 8.207 0.020 . 1 . . . . 675 LYS H . 15444 1 1055 . 1 1 115 115 LYS C C 13 176.667 0.400 . 1 . . . . 675 LYS C . 15444 1 1056 . 1 1 115 115 LYS CA C 13 56.562 0.400 . 1 . . . . 675 LYS CA . 15444 1 1057 . 1 1 115 115 LYS CB C 13 32.389 0.400 . 1 . . . . 675 LYS CB . 15444 1 1058 . 1 1 115 115 LYS N N 15 119.063 0.400 . 1 . . . . 675 LYS N . 15444 1 1059 . 1 1 116 116 ALA H H 1 7.967 0.020 . 1 . . . . 676 ALA H . 15444 1 1060 . 1 1 116 116 ALA C C 13 177.643 0.400 . 1 . . . . 676 ALA C . 15444 1 1061 . 1 1 116 116 ALA CA C 13 52.525 0.400 . 1 . . . . 676 ALA CA . 15444 1 1062 . 1 1 116 116 ALA CB C 13 19.040 0.400 . 1 . . . . 676 ALA CB . 15444 1 1063 . 1 1 116 116 ALA N N 15 123.902 0.400 . 1 . . . . 676 ALA N . 15444 1 1064 . 1 1 117 117 GLN H H 1 8.136 0.020 . 1 . . . . 677 GLN H . 15444 1 1065 . 1 1 117 117 GLN C C 13 176.350 0.400 . 1 . . . . 677 GLN C . 15444 1 1066 . 1 1 117 117 GLN CA C 13 55.723 0.400 . 1 . . . . 677 GLN CA . 15444 1 1067 . 1 1 117 117 GLN CB C 13 29.424 0.400 . 1 . . . . 677 GLN CB . 15444 1 1068 . 1 1 117 117 GLN N N 15 119.251 0.400 . 1 . . . . 677 GLN N . 15444 1 1069 . 1 1 118 118 LYS H H 1 8.166 0.020 . 1 . . . . 678 LYS H . 15444 1 1070 . 1 1 118 118 LYS C C 13 176.285 0.400 . 1 . . . . 678 LYS C . 15444 1 1071 . 1 1 118 118 LYS CA C 13 56.038 0.400 . 1 . . . . 678 LYS CA . 15444 1 1072 . 1 1 118 118 LYS CB C 13 32.934 0.400 . 1 . . . . 678 LYS CB . 15444 1 1073 . 1 1 118 118 LYS N N 15 122.103 0.400 . 1 . . . . 678 LYS N . 15444 1 1074 . 1 1 119 119 VAL H H 1 8.215 0.020 . 1 . . . . 679 VAL H . 15444 1 1075 . 1 1 119 119 VAL C C 13 176.528 0.400 . 1 . . . . 679 VAL C . 15444 1 1076 . 1 1 119 119 VAL CA C 13 62.550 0.400 . 1 . . . . 679 VAL CA . 15444 1 1077 . 1 1 119 119 VAL CB C 13 32.574 0.400 . 1 . . . . 679 VAL CB . 15444 1 1078 . 1 1 119 119 VAL N N 15 122.507 0.400 . 1 . . . . 679 VAL N . 15444 1 1079 . 1 1 120 120 GLY H H 1 8.463 0.020 . 1 . . . . 680 GLY H . 15444 1 1080 . 1 1 120 120 GLY C C 13 172.716 0.400 . 1 . . . . 680 GLY C . 15444 1 1081 . 1 1 120 120 GLY CA C 13 45.054 0.400 . 1 . . . . 680 GLY CA . 15444 1 1082 . 1 1 120 120 GLY N N 15 113.772 0.400 . 1 . . . . 680 GLY N . 15444 1 1083 . 1 1 121 121 ALA H H 1 7.795 0.020 . 1 . . . . 681 ALA H . 15444 1 1084 . 1 1 121 121 ALA C C 13 182.657 0.400 . 1 . . . . 681 ALA C . 15444 1 1085 . 1 1 121 121 ALA CA C 13 53.706 0.400 . 1 . . . . 681 ALA CA . 15444 1 1086 . 1 1 121 121 ALA CB C 13 20.092 0.400 . 1 . . . . 681 ALA CB . 15444 1 1087 . 1 1 121 121 ALA N N 15 129.225 0.400 . 1 . . . . 681 ALA N . 15444 1 stop_ save_