data_11029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11029 _Entry.Title ; Solution Structure of the N-terminal SAP Domain of SUMO E3 Ligases from Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-29 _Entry.Accession_date 2008-01-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 Rintaro Suzuki . . . 11029 2 Heisaburo Shindo . . . 11029 3 Akira Tase . . . 11029 4 Toshimasa Yamazaki . . . 11029 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Res. Unit, National Institute of Agrobiological Sciences' . 11029 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding' . 11029 'SUMO ligase' . 11029 sumoylation . 11029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 11029 '15N chemical shifts' 125 11029 '1H chemical shifts' 861 11029 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 3 . . 2010-06-25 2008-01-29 update author 'update entry authors' 11029 2 . . 2009-03-13 2008-01-29 update BMRB 'complete entry citation' 11029 1 . . 2008-11-11 2008-01-29 original author 'original release' 11029 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V66 'Entry contains the 3D-structure of human homologue of this protein.' 11029 PDB 2RNN 'BMRB Entry Tracking System' 11029 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11029 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18831036 _Citation.Full_citation . _Citation.Title ; Solution Structures and DNA Binding Properties of the N-terminal SAP Domains of SUMO E3 Ligases from Saccharomyces cerevisiae and Oryza sativa. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 75 _Citation.Journal_issue 2 _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 336 _Citation.Page_last 347 _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 Rintaro Suzuki . . . 11029 1 2 Heisaburo Shindo . . . 11029 1 3 Akira Tase . . . 11029 1 4 Yoshiko Kikuchi . . . 11029 1 5 Mitsuhiro Shimizu . . . 11029 1 6 Toshimasa Yamazaki . . . 11029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11029 _Assembly.ID 1 _Assembly.Name 'Siz1 1-111' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Siz1 1-111' 1 $Siz1_1-111 A . yes native no no . . . 11029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Siz1_1-111 _Entity.Sf_category entity _Entity.Sf_framecode Siz1_1-111 _Entity.Entry_ID 11029 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Siz1 1-111' _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 ; GSHMINLEDYWEDETPGPDR EPTNELRNEVEETITLMELL KVSELKDICRSVSFPVSGRK AVLQDLIRNFLQNALVVGKS DPYRVQAVKFLIERIRKNEP LPVYKDLWNALRKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues (-3)-(-1) represent a non-native sequence from affinity tag.' _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13249.319 _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 2RNN . "Solution Structure Of The N-Terminal Sap Domain Of Sumo E3 Ligases From Saccharomyces Cerevisiae" . . . . . 100.00 114 100.00 100.00 3.42e-76 . . . . 11029 1 2 no DBJ GAA22629 . "K7_Siz1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.37 904 100.00 100.00 2.21e-68 . . . . 11029 1 3 no GB AAB64849 . "Ydr409wp [Saccharomyces cerevisiae]" . . . . . 97.37 904 100.00 100.00 1.95e-68 . . . . 11029 1 4 no GB AHY75365 . "Siz1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.37 904 100.00 100.00 2.03e-68 . . . . 11029 1 5 no GB AJP38091 . "Siz1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.37 904 100.00 100.00 1.95e-68 . . . . 11029 1 6 no GB AJU58213 . "Siz1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.37 904 100.00 100.00 1.95e-68 . . . . 11029 1 7 no GB AJU58906 . "Siz1p [Saccharomyces cerevisiae YJM193]" . . . . . 97.37 904 100.00 100.00 2.03e-68 . . . . 11029 1 8 no REF NP_010697 . "SUMO ligase SIZ1 [Saccharomyces cerevisiae S288c]" . . . . . 97.37 904 100.00 100.00 1.95e-68 . . . . 11029 1 9 no SP Q04195 . "RecName: Full=E3 SUMO-protein ligase SIZ1; AltName: Full=SAP and Miz-finger domain-containing protein 1; AltName: Full=Ubiquiti" . . . . . 97.37 904 100.00 100.00 1.95e-68 . . . . 11029 1 10 no TPG DAA12251 . "TPA: SUMO ligase SIZ1 [Saccharomyces cerevisiae S288c]" . . . . . 97.37 904 100.00 100.00 1.95e-68 . . . . 11029 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 -3 GLY . 11029 1 2 -2 SER . 11029 1 3 -1 HIS . 11029 1 4 1 MET . 11029 1 5 2 ILE . 11029 1 6 3 ASN . 11029 1 7 4 LEU . 11029 1 8 5 GLU . 11029 1 9 6 ASP . 11029 1 10 7 TYR . 11029 1 11 8 TRP . 11029 1 12 9 GLU . 11029 1 13 10 ASP . 11029 1 14 11 GLU . 11029 1 15 12 THR . 11029 1 16 13 PRO . 11029 1 17 14 GLY . 11029 1 18 15 PRO . 11029 1 19 16 ASP . 11029 1 20 17 ARG . 11029 1 21 18 GLU . 11029 1 22 19 PRO . 11029 1 23 20 THR . 11029 1 24 21 ASN . 11029 1 25 22 GLU . 11029 1 26 23 LEU . 11029 1 27 24 ARG . 11029 1 28 25 ASN . 11029 1 29 26 GLU . 11029 1 30 27 VAL . 11029 1 31 28 GLU . 11029 1 32 29 GLU . 11029 1 33 30 THR . 11029 1 34 31 ILE . 11029 1 35 32 THR . 11029 1 36 33 LEU . 11029 1 37 34 MET . 11029 1 38 35 GLU . 11029 1 39 36 LEU . 11029 1 40 37 LEU . 11029 1 41 38 LYS . 11029 1 42 39 VAL . 11029 1 43 40 SER . 11029 1 44 41 GLU . 11029 1 45 42 LEU . 11029 1 46 43 LYS . 11029 1 47 44 ASP . 11029 1 48 45 ILE . 11029 1 49 46 CYS . 11029 1 50 47 ARG . 11029 1 51 48 SER . 11029 1 52 49 VAL . 11029 1 53 50 SER . 11029 1 54 51 PHE . 11029 1 55 52 PRO . 11029 1 56 53 VAL . 11029 1 57 54 SER . 11029 1 58 55 GLY . 11029 1 59 56 ARG . 11029 1 60 57 LYS . 11029 1 61 58 ALA . 11029 1 62 59 VAL . 11029 1 63 60 LEU . 11029 1 64 61 GLN . 11029 1 65 62 ASP . 11029 1 66 63 LEU . 11029 1 67 64 ILE . 11029 1 68 65 ARG . 11029 1 69 66 ASN . 11029 1 70 67 PHE . 11029 1 71 68 LEU . 11029 1 72 69 GLN . 11029 1 73 70 ASN . 11029 1 74 71 ALA . 11029 1 75 72 LEU . 11029 1 76 73 VAL . 11029 1 77 74 VAL . 11029 1 78 75 GLY . 11029 1 79 76 LYS . 11029 1 80 77 SER . 11029 1 81 78 ASP . 11029 1 82 79 PRO . 11029 1 83 80 TYR . 11029 1 84 81 ARG . 11029 1 85 82 VAL . 11029 1 86 83 GLN . 11029 1 87 84 ALA . 11029 1 88 85 VAL . 11029 1 89 86 LYS . 11029 1 90 87 PHE . 11029 1 91 88 LEU . 11029 1 92 89 ILE . 11029 1 93 90 GLU . 11029 1 94 91 ARG . 11029 1 95 92 ILE . 11029 1 96 93 ARG . 11029 1 97 94 LYS . 11029 1 98 95 ASN . 11029 1 99 96 GLU . 11029 1 100 97 PRO . 11029 1 101 98 LEU . 11029 1 102 99 PRO . 11029 1 103 100 VAL . 11029 1 104 101 TYR . 11029 1 105 102 LYS . 11029 1 106 103 ASP . 11029 1 107 104 LEU . 11029 1 108 105 TRP . 11029 1 109 106 ASN . 11029 1 110 107 ALA . 11029 1 111 108 LEU . 11029 1 112 109 ARG . 11029 1 113 110 LYS . 11029 1 114 111 GLY . 11029 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11029 1 . SER 2 2 11029 1 . HIS 3 3 11029 1 . MET 4 4 11029 1 . ILE 5 5 11029 1 . ASN 6 6 11029 1 . LEU 7 7 11029 1 . GLU 8 8 11029 1 . ASP 9 9 11029 1 . TYR 10 10 11029 1 . TRP 11 11 11029 1 . GLU 12 12 11029 1 . ASP 13 13 11029 1 . GLU 14 14 11029 1 . THR 15 15 11029 1 . PRO 16 16 11029 1 . GLY 17 17 11029 1 . PRO 18 18 11029 1 . ASP 19 19 11029 1 . ARG 20 20 11029 1 . GLU 21 21 11029 1 . PRO 22 22 11029 1 . THR 23 23 11029 1 . ASN 24 24 11029 1 . GLU 25 25 11029 1 . LEU 26 26 11029 1 . ARG 27 27 11029 1 . ASN 28 28 11029 1 . GLU 29 29 11029 1 . VAL 30 30 11029 1 . GLU 31 31 11029 1 . GLU 32 32 11029 1 . THR 33 33 11029 1 . ILE 34 34 11029 1 . THR 35 35 11029 1 . LEU 36 36 11029 1 . MET 37 37 11029 1 . GLU 38 38 11029 1 . LEU 39 39 11029 1 . LEU 40 40 11029 1 . LYS 41 41 11029 1 . VAL 42 42 11029 1 . SER 43 43 11029 1 . GLU 44 44 11029 1 . LEU 45 45 11029 1 . LYS 46 46 11029 1 . ASP 47 47 11029 1 . ILE 48 48 11029 1 . CYS 49 49 11029 1 . ARG 50 50 11029 1 . SER 51 51 11029 1 . VAL 52 52 11029 1 . SER 53 53 11029 1 . PHE 54 54 11029 1 . PRO 55 55 11029 1 . VAL 56 56 11029 1 . SER 57 57 11029 1 . GLY 58 58 11029 1 . ARG 59 59 11029 1 . LYS 60 60 11029 1 . ALA 61 61 11029 1 . VAL 62 62 11029 1 . LEU 63 63 11029 1 . GLN 64 64 11029 1 . ASP 65 65 11029 1 . LEU 66 66 11029 1 . ILE 67 67 11029 1 . ARG 68 68 11029 1 . ASN 69 69 11029 1 . PHE 70 70 11029 1 . LEU 71 71 11029 1 . GLN 72 72 11029 1 . ASN 73 73 11029 1 . ALA 74 74 11029 1 . LEU 75 75 11029 1 . VAL 76 76 11029 1 . VAL 77 77 11029 1 . GLY 78 78 11029 1 . LYS 79 79 11029 1 . SER 80 80 11029 1 . ASP 81 81 11029 1 . PRO 82 82 11029 1 . TYR 83 83 11029 1 . ARG 84 84 11029 1 . VAL 85 85 11029 1 . GLN 86 86 11029 1 . ALA 87 87 11029 1 . VAL 88 88 11029 1 . LYS 89 89 11029 1 . PHE 90 90 11029 1 . LEU 91 91 11029 1 . ILE 92 92 11029 1 . GLU 93 93 11029 1 . ARG 94 94 11029 1 . ILE 95 95 11029 1 . ARG 96 96 11029 1 . LYS 97 97 11029 1 . ASN 98 98 11029 1 . GLU 99 99 11029 1 . PRO 100 100 11029 1 . LEU 101 101 11029 1 . PRO 102 102 11029 1 . VAL 103 103 11029 1 . TYR 104 104 11029 1 . LYS 105 105 11029 1 . ASP 106 106 11029 1 . LEU 107 107 11029 1 . TRP 108 108 11029 1 . ASN 109 109 11029 1 . ALA 110 110 11029 1 . LEU 111 111 11029 1 . ARG 112 112 11029 1 . LYS 113 113 11029 1 . GLY 114 114 11029 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 11029 _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 $Siz1_1-111 . 4932 organism . 'Saccharomyces cerevisiae' 'Saccharomyces cerevisiae' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 11029 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 11029 _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 $Siz1_1-111 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-28b(+) . . . . . . 11029 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_in_8%_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_in_8%_D2O _Sample.Entry_ID 11029 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Siz1 1-111' [U-15N] . . 1 $Siz1_1-111 . . 0.55 . . mM . . . . 11029 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11029 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 11029 1 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 11029 1 5 H2O 'natural abundance' . . . . . . 92 . . % . . . . 11029 1 6 D2O . . . . . . . 8 . . % . . . . 11029 1 stop_ save_ save_13C_15N_in_8%_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_in_8%_D2O _Sample.Entry_ID 11029 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '92% H2O/8% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Siz1 1-111' '[U-13C; U-15N]' . . 1 $Siz1_1-111 . . 0.6 . . mM . . . . 11029 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11029 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 11029 2 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 11029 2 5 H2O 'natural abundance' . . . . . . 92 . . % . . . . 11029 2 6 D2O . . . . . . . 8 . . % . . . . 11029 2 stop_ save_ save_13C_15N_in_100%_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_in_100%_D2O _Sample.Entry_ID 11029 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Siz1 1-111' '[U-13C; U-15N]' . . 1 $Siz1_1-111 . . 0.69 . . mM . . . . 11029 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11029 3 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 11029 3 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 11029 3 5 D2O . . . . . . . 100 . . % . . . . 11029 3 stop_ save_ ####################### # Sample conditions # ####################### save_pH_6.1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH_6.1 _Sample_condition_list.Entry_ID 11029 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 . pH 11029 1 pressure 1 . atm 11029 1 temperature 283 . K 11029 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11029 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11029 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11029 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11029 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'released at Feb 10, 2006' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11029 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11029 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11029 _Software.ID 3 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11029 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11029 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11029 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11029 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11029 4 'peak picking' 11029 4 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 11029 _Software.ID 5 _Software.Name PIPP _Software.Version 4.3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 11029 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11029 5 'peak picking' 11029 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11029 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11029 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11029 6 'structure solution' 11029 6 stop_ save_ save_AQUA _Software.Sf_category software _Software.Sf_framecode AQUA _Software.Entry_ID 11029 _Software.ID 7 _Software.Name AQUA _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rullmann, Doreleijers and Kaptein' . . 11029 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11029 7 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 11029 _Software.ID 8 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 11029 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11029 8 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 11029 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 11029 _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 Bruker750 Bruker DMX . 750 . . . 11029 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 11029 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_in_8%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_in_8%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $13C_15N_in_8%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 4 '3D HNCO' no . . . . . . . . . . 2 $13C_15N_in_8%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 5 '3D HNCA' no . . . . . . . . . . 2 $13C_15N_in_8%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C_15N_in_8%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 7 '3D 13C-edited 1H-15N NOESY' no . . . . . . . . . . 2 $13C_15N_in_8%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 1 10 '4D 1H-13C NOESY' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11029 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 11029 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 0.00 external direct 1 . . . . . . . . . 11029 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external indirect 1 . . . . . . . . . 11029 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0.00 external direct 1 . . . . . . . . . 11029 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 11029 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_6.1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $15N_in_8%_D2O isotropic 11029 1 2 '3D 1H-15N NOESY' 1 $15N_in_8%_D2O isotropic 11029 1 3 '2D 1H-15N HSQC' 2 $13C_15N_in_8%_D2O isotropic 11029 1 4 '3D HNCO' 2 $13C_15N_in_8%_D2O isotropic 11029 1 5 '3D HNCA' 2 $13C_15N_in_8%_D2O isotropic 11029 1 6 '3D CBCA(CO)NH' 2 $13C_15N_in_8%_D2O isotropic 11029 1 7 '3D 13C-edited 1H-15N NOESY' 2 $13C_15N_in_8%_D2O isotropic 11029 1 9 '3D HCCH-TOCSY' 3 $13C_15N_in_100%_D2O isotropic 11029 1 10 '4D 1H-13C NOESY' 3 $13C_15N_in_100%_D2O isotropic 11029 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 11029 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 42.653 0.400 . 1 . . . . -3 GLY CA . 11029 1 2 . 1 1 1 1 GLY HA2 H 1 3.856 0.020 . 2 . . . . -3 GLY HA2 . 11029 1 3 . 1 1 1 1 GLY HA3 H 1 3.856 0.020 . 2 . . . . -3 GLY HA3 . 11029 1 4 . 1 1 1 1 GLY C C 13 169.798 0.400 . 1 . . . . -3 GLY C . 11029 1 5 . 1 1 2 2 SER N N 15 115.414 0.400 . 1 . . . . -2 SER N . 11029 1 6 . 1 1 2 2 SER H H 1 8.737 0.020 . 1 . . . . -2 SER H . 11029 1 7 . 1 1 2 2 SER CA C 13 57.710 0.400 . 1 . . . . -2 SER CA . 11029 1 8 . 1 1 2 2 SER HA H 1 4.446 0.020 . 1 . . . . -2 SER HA . 11029 1 9 . 1 1 2 2 SER CB C 13 63.365 0.400 . 1 . . . . -2 SER CB . 11029 1 10 . 1 1 2 2 SER HB2 H 1 3.785 0.020 . 2 . . . . -2 SER HB2 . 11029 1 11 . 1 1 2 2 SER HB3 H 1 3.785 0.020 . 2 . . . . -2 SER HB3 . 11029 1 12 . 1 1 2 2 SER C C 13 173.826 0.400 . 1 . . . . -2 SER C . 11029 1 13 . 1 1 3 3 HIS N N 15 120.693 0.400 . 1 . . . . -1 HIS N . 11029 1 14 . 1 1 3 3 HIS H H 1 8.714 0.020 . 1 . . . . -1 HIS H . 11029 1 15 . 1 1 3 3 HIS CA C 13 54.924 0.400 . 1 . . . . -1 HIS CA . 11029 1 16 . 1 1 3 3 HIS HA H 1 4.684 0.020 . 1 . . . . -1 HIS HA . 11029 1 17 . 1 1 3 3 HIS CB C 13 28.833 0.400 . 1 . . . . -1 HIS CB . 11029 1 18 . 1 1 3 3 HIS HB2 H 1 3.202 0.020 . 2 . . . . -1 HIS HB2 . 11029 1 19 . 1 1 3 3 HIS HB3 H 1 3.078 0.020 . 2 . . . . -1 HIS HB3 . 11029 1 20 . 1 1 3 3 HIS CD2 C 13 119.399 0.400 . 1 . . . . -1 HIS CD2 . 11029 1 21 . 1 1 3 3 HIS CE1 C 13 136.077 0.400 . 1 . . . . -1 HIS CE1 . 11029 1 22 . 1 1 3 3 HIS HD2 H 1 7.151 0.020 . 1 . . . . -1 HIS HD2 . 11029 1 23 . 1 1 3 3 HIS HE1 H 1 8.379 0.020 . 1 . . . . -1 HIS HE1 . 11029 1 24 . 1 1 3 3 HIS C C 13 173.838 0.400 . 1 . . . . -1 HIS C . 11029 1 25 . 1 1 4 4 MET N N 15 122.032 0.400 . 1 . . . . 1 MET N . 11029 1 26 . 1 1 4 4 MET H H 1 8.498 0.020 . 1 . . . . 1 MET H . 11029 1 27 . 1 1 4 4 MET CA C 13 54.922 0.400 . 1 . . . . 1 MET CA . 11029 1 28 . 1 1 4 4 MET HA H 1 4.438 0.020 . 1 . . . . 1 MET HA . 11029 1 29 . 1 1 4 4 MET CB C 13 32.301 0.400 . 1 . . . . 1 MET CB . 11029 1 30 . 1 1 4 4 MET HB2 H 1 2.000 0.020 . 2 . . . . 1 MET HB2 . 11029 1 31 . 1 1 4 4 MET HB3 H 1 1.929 0.020 . 2 . . . . 1 MET HB3 . 11029 1 32 . 1 1 4 4 MET CG C 13 31.393 0.400 . 1 . . . . 1 MET CG . 11029 1 33 . 1 1 4 4 MET HG2 H 1 2.493 0.020 . 2 . . . . 1 MET HG2 . 11029 1 34 . 1 1 4 4 MET HG3 H 1 2.427 0.020 . 2 . . . . 1 MET HG3 . 11029 1 35 . 1 1 4 4 MET HE1 H 1 2.027 0.020 . 1 . . . . 1 MET HE . 11029 1 36 . 1 1 4 4 MET HE2 H 1 2.027 0.020 . 1 . . . . 1 MET HE . 11029 1 37 . 1 1 4 4 MET HE3 H 1 2.027 0.020 . 1 . . . . 1 MET HE . 11029 1 38 . 1 1 4 4 MET CE C 13 16.371 0.400 . 1 . . . . 1 MET CE . 11029 1 39 . 1 1 4 4 MET C C 13 175.444 0.400 . 1 . . . . 1 MET C . 11029 1 40 . 1 1 5 5 ILE N N 15 122.114 0.400 . 1 . . . . 2 ILE N . 11029 1 41 . 1 1 5 5 ILE H H 1 8.292 0.020 . 1 . . . . 2 ILE H . 11029 1 42 . 1 1 5 5 ILE CA C 13 60.568 0.400 . 1 . . . . 2 ILE CA . 11029 1 43 . 1 1 5 5 ILE HA H 1 4.102 0.020 . 1 . . . . 2 ILE HA . 11029 1 44 . 1 1 5 5 ILE CB C 13 38.417 0.400 . 1 . . . . 2 ILE CB . 11029 1 45 . 1 1 5 5 ILE HB H 1 1.779 0.020 . 1 . . . . 2 ILE HB . 11029 1 46 . 1 1 5 5 ILE HG21 H 1 0.815 0.020 . 1 . . . . 2 ILE HG2 . 11029 1 47 . 1 1 5 5 ILE HG22 H 1 0.815 0.020 . 1 . . . . 2 ILE HG2 . 11029 1 48 . 1 1 5 5 ILE HG23 H 1 0.815 0.020 . 1 . . . . 2 ILE HG2 . 11029 1 49 . 1 1 5 5 ILE CG2 C 13 16.891 0.400 . 1 . . . . 2 ILE CG2 . 11029 1 50 . 1 1 5 5 ILE CG1 C 13 26.776 0.400 . 1 . . . . 2 ILE CG1 . 11029 1 51 . 1 1 5 5 ILE HG12 H 1 1.399 0.020 . 2 . . . . 2 ILE HG12 . 11029 1 52 . 1 1 5 5 ILE HG13 H 1 1.102 0.020 . 2 . . . . 2 ILE HG13 . 11029 1 53 . 1 1 5 5 ILE HD11 H 1 0.776 0.020 . 1 . . . . 2 ILE HD1 . 11029 1 54 . 1 1 5 5 ILE HD12 H 1 0.776 0.020 . 1 . . . . 2 ILE HD1 . 11029 1 55 . 1 1 5 5 ILE HD13 H 1 0.776 0.020 . 1 . . . . 2 ILE HD1 . 11029 1 56 . 1 1 5 5 ILE CD1 C 13 12.486 0.400 . 1 . . . . 2 ILE CD1 . 11029 1 57 . 1 1 5 5 ILE C C 13 174.970 0.400 . 1 . . . . 2 ILE C . 11029 1 58 . 1 1 6 6 ASN N N 15 122.794 0.400 . 1 . . . . 3 ASN N . 11029 1 59 . 1 1 6 6 ASN H H 1 8.636 0.020 . 1 . . . . 3 ASN H . 11029 1 60 . 1 1 6 6 ASN CA C 13 52.274 0.400 . 1 . . . . 3 ASN CA . 11029 1 61 . 1 1 6 6 ASN HA H 1 4.712 0.020 . 1 . . . . 3 ASN HA . 11029 1 62 . 1 1 6 6 ASN CB C 13 38.194 0.400 . 1 . . . . 3 ASN CB . 11029 1 63 . 1 1 6 6 ASN HB2 H 1 2.858 0.020 . 2 . . . . 3 ASN HB2 . 11029 1 64 . 1 1 6 6 ASN HB3 H 1 2.717 0.020 . 2 . . . . 3 ASN HB3 . 11029 1 65 . 1 1 6 6 ASN ND2 N 15 113.156 0.400 . 1 . . . . 3 ASN ND2 . 11029 1 66 . 1 1 6 6 ASN HD21 H 1 7.661 0.020 . 2 . . . . 3 ASN HD21 . 11029 1 67 . 1 1 6 6 ASN HD22 H 1 6.974 0.020 . 2 . . . . 3 ASN HD22 . 11029 1 68 . 1 1 6 6 ASN C C 13 174.766 0.400 . 1 . . . . 3 ASN C . 11029 1 69 . 1 1 7 7 LEU N N 15 123.220 0.400 . 1 . . . . 4 LEU N . 11029 1 70 . 1 1 7 7 LEU H H 1 8.484 0.020 . 1 . . . . 4 LEU H . 11029 1 71 . 1 1 7 7 LEU CA C 13 55.359 0.400 . 1 . . . . 4 LEU CA . 11029 1 72 . 1 1 7 7 LEU HA H 1 4.197 0.020 . 1 . . . . 4 LEU HA . 11029 1 73 . 1 1 7 7 LEU CB C 13 41.461 0.400 . 1 . . . . 4 LEU CB . 11029 1 74 . 1 1 7 7 LEU HB2 H 1 1.612 0.020 . 2 . . . . 4 LEU HB2 . 11029 1 75 . 1 1 7 7 LEU HB3 H 1 1.543 0.020 . 2 . . . . 4 LEU HB3 . 11029 1 76 . 1 1 7 7 LEU CG C 13 26.488 0.400 . 1 . . . . 4 LEU CG . 11029 1 77 . 1 1 7 7 LEU HG H 1 1.574 0.020 . 1 . . . . 4 LEU HG . 11029 1 78 . 1 1 7 7 LEU HD11 H 1 0.847 0.020 . 2 . . . . 4 LEU HD1 . 11029 1 79 . 1 1 7 7 LEU HD12 H 1 0.847 0.020 . 2 . . . . 4 LEU HD1 . 11029 1 80 . 1 1 7 7 LEU HD13 H 1 0.847 0.020 . 2 . . . . 4 LEU HD1 . 11029 1 81 . 1 1 7 7 LEU HD21 H 1 0.777 0.020 . 2 . . . . 4 LEU HD2 . 11029 1 82 . 1 1 7 7 LEU HD22 H 1 0.777 0.020 . 2 . . . . 4 LEU HD2 . 11029 1 83 . 1 1 7 7 LEU HD23 H 1 0.777 0.020 . 2 . . . . 4 LEU HD2 . 11029 1 84 . 1 1 7 7 LEU CD1 C 13 24.695 0.400 . 1 . . . . 4 LEU CD1 . 11029 1 85 . 1 1 7 7 LEU CD2 C 13 22.823 0.400 . 1 . . . . 4 LEU CD2 . 11029 1 86 . 1 1 7 7 LEU C C 13 177.248 0.400 . 1 . . . . 4 LEU C . 11029 1 87 . 1 1 8 8 GLU N N 15 119.354 0.400 . 1 . . . . 5 GLU N . 11029 1 88 . 1 1 8 8 GLU H H 1 8.455 0.020 . 1 . . . . 5 GLU H . 11029 1 89 . 1 1 8 8 GLU CA C 13 56.589 0.400 . 1 . . . . 5 GLU CA . 11029 1 90 . 1 1 8 8 GLU HA H 1 4.091 0.020 . 1 . . . . 5 GLU HA . 11029 1 91 . 1 1 8 8 GLU CB C 13 29.275 0.400 . 1 . . . . 5 GLU CB . 11029 1 92 . 1 1 8 8 GLU HB2 H 1 1.963 0.020 . 2 . . . . 5 GLU HB2 . 11029 1 93 . 1 1 8 8 GLU HB3 H 1 1.873 0.020 . 2 . . . . 5 GLU HB3 . 11029 1 94 . 1 1 8 8 GLU CG C 13 35.664 0.400 . 1 . . . . 5 GLU CG . 11029 1 95 . 1 1 8 8 GLU HG2 H 1 2.204 0.020 . 2 . . . . 5 GLU HG2 . 11029 1 96 . 1 1 8 8 GLU HG3 H 1 2.204 0.020 . 2 . . . . 5 GLU HG3 . 11029 1 97 . 1 1 8 8 GLU C C 13 175.981 0.400 . 1 . . . . 5 GLU C . 11029 1 98 . 1 1 9 9 ASP N N 15 119.780 0.400 . 1 . . . . 6 ASP N . 11029 1 99 . 1 1 9 9 ASP H H 1 8.136 0.020 . 1 . . . . 6 ASP H . 11029 1 100 . 1 1 9 9 ASP CA C 13 53.931 0.400 . 1 . . . . 6 ASP CA . 11029 1 101 . 1 1 9 9 ASP HA H 1 4.492 0.020 . 1 . . . . 6 ASP HA . 11029 1 102 . 1 1 9 9 ASP CB C 13 40.360 0.400 . 1 . . . . 6 ASP CB . 11029 1 103 . 1 1 9 9 ASP HB2 H 1 2.527 0.020 . 2 . . . . 6 ASP HB2 . 11029 1 104 . 1 1 9 9 ASP HB3 H 1 2.527 0.020 . 2 . . . . 6 ASP HB3 . 11029 1 105 . 1 1 9 9 ASP C C 13 175.397 0.400 . 1 . . . . 6 ASP C . 11029 1 106 . 1 1 10 10 TYR N N 15 119.939 0.400 . 1 . . . . 7 TYR N . 11029 1 107 . 1 1 10 10 TYR H H 1 7.902 0.020 . 1 . . . . 7 TYR H . 11029 1 108 . 1 1 10 10 TYR CA C 13 57.667 0.400 . 1 . . . . 7 TYR CA . 11029 1 109 . 1 1 10 10 TYR HA H 1 4.431 0.020 . 1 . . . . 7 TYR HA . 11029 1 110 . 1 1 10 10 TYR CB C 13 38.236 0.400 . 1 . . . . 7 TYR CB . 11029 1 111 . 1 1 10 10 TYR HB2 H 1 2.844 0.020 . 2 . . . . 7 TYR HB2 . 11029 1 112 . 1 1 10 10 TYR HB3 H 1 2.844 0.020 . 2 . . . . 7 TYR HB3 . 11029 1 113 . 1 1 10 10 TYR CD1 C 13 132.610 0.400 . 1 . . . . 7 TYR CD1 . 11029 1 114 . 1 1 10 10 TYR HD1 H 1 6.908 0.020 . 1 . . . . 7 TYR HD1 . 11029 1 115 . 1 1 10 10 TYR CE1 C 13 117.582 0.400 . 1 . . . . 7 TYR CE1 . 11029 1 116 . 1 1 10 10 TYR HE1 H 1 6.686 0.020 . 1 . . . . 7 TYR HE1 . 11029 1 117 . 1 1 10 10 TYR HE2 H 1 6.686 0.020 . 1 . . . . 7 TYR HE2 . 11029 1 118 . 1 1 10 10 TYR HD2 H 1 6.908 0.020 . 1 . . . . 7 TYR HD2 . 11029 1 119 . 1 1 10 10 TYR C C 13 174.898 0.400 . 1 . . . . 7 TYR C . 11029 1 120 . 1 1 11 11 TRP N N 15 122.648 0.400 . 1 . . . . 8 TRP N . 11029 1 121 . 1 1 11 11 TRP H H 1 7.917 0.020 . 1 . . . . 8 TRP H . 11029 1 122 . 1 1 11 11 TRP CA C 13 56.562 0.400 . 1 . . . . 8 TRP CA . 11029 1 123 . 1 1 11 11 TRP HA H 1 4.578 0.020 . 1 . . . . 8 TRP HA . 11029 1 124 . 1 1 11 11 TRP CB C 13 29.293 0.400 . 1 . . . . 8 TRP CB . 11029 1 125 . 1 1 11 11 TRP HB2 H 1 3.219 0.020 . 2 . . . . 8 TRP HB2 . 11029 1 126 . 1 1 11 11 TRP HB3 H 1 3.159 0.020 . 2 . . . . 8 TRP HB3 . 11029 1 127 . 1 1 11 11 TRP CD1 C 13 126.513 0.400 . 1 . . . . 8 TRP CD1 . 11029 1 128 . 1 1 11 11 TRP CE3 C 13 120.321 0.400 . 1 . . . . 8 TRP CE3 . 11029 1 129 . 1 1 11 11 TRP NE1 N 15 129.263 0.400 . 1 . . . . 8 TRP NE1 . 11029 1 130 . 1 1 11 11 TRP HD1 H 1 7.178 0.020 . 1 . . . . 8 TRP HD1 . 11029 1 131 . 1 1 11 11 TRP HE3 H 1 7.516 0.020 . 1 . . . . 8 TRP HE3 . 11029 1 132 . 1 1 11 11 TRP CZ3 C 13 121.444 0.400 . 1 . . . . 8 TRP CZ3 . 11029 1 133 . 1 1 11 11 TRP CZ2 C 13 114.119 0.400 . 1 . . . . 8 TRP CZ2 . 11029 1 134 . 1 1 11 11 TRP HE1 H 1 10.147 0.020 . 1 . . . . 8 TRP HE1 . 11029 1 135 . 1 1 11 11 TRP HZ3 H 1 7.085 0.020 . 1 . . . . 8 TRP HZ3 . 11029 1 136 . 1 1 11 11 TRP CH2 C 13 124.023 0.400 . 1 . . . . 8 TRP CH2 . 11029 1 137 . 1 1 11 11 TRP HZ2 H 1 7.447 0.020 . 1 . . . . 8 TRP HZ2 . 11029 1 138 . 1 1 11 11 TRP HH2 H 1 7.182 0.020 . 1 . . . . 8 TRP HH2 . 11029 1 139 . 1 1 11 11 TRP C C 13 175.212 0.400 . 1 . . . . 8 TRP C . 11029 1 140 . 1 1 12 12 GLU N N 15 122.189 0.400 . 1 . . . . 9 GLU N . 11029 1 141 . 1 1 12 12 GLU H H 1 8.030 0.020 . 1 . . . . 9 GLU H . 11029 1 142 . 1 1 12 12 GLU CA C 13 55.743 0.400 . 1 . . . . 9 GLU CA . 11029 1 143 . 1 1 12 12 GLU HA H 1 4.137 0.020 . 1 . . . . 9 GLU HA . 11029 1 144 . 1 1 12 12 GLU CB C 13 30.001 0.400 . 1 . . . . 9 GLU CB . 11029 1 145 . 1 1 12 12 GLU HB2 H 1 1.932 0.020 . 2 . . . . 9 GLU HB2 . 11029 1 146 . 1 1 12 12 GLU HB3 H 1 1.797 0.020 . 2 . . . . 9 GLU HB3 . 11029 1 147 . 1 1 12 12 GLU CG C 13 35.443 0.400 . 1 . . . . 9 GLU CG . 11029 1 148 . 1 1 12 12 GLU HG2 H 1 2.101 0.020 . 2 . . . . 9 GLU HG2 . 11029 1 149 . 1 1 12 12 GLU HG3 H 1 2.101 0.020 . 2 . . . . 9 GLU HG3 . 11029 1 150 . 1 1 12 12 GLU C C 13 175.138 0.400 . 1 . . . . 9 GLU C . 11029 1 151 . 1 1 13 13 ASP N N 15 121.099 0.400 . 1 . . . . 10 ASP N . 11029 1 152 . 1 1 13 13 ASP H H 1 8.253 0.020 . 1 . . . . 10 ASP H . 11029 1 153 . 1 1 13 13 ASP CA C 13 53.843 0.400 . 1 . . . . 10 ASP CA . 11029 1 154 . 1 1 13 13 ASP HA H 1 4.500 0.020 . 1 . . . . 10 ASP HA . 11029 1 155 . 1 1 13 13 ASP CB C 13 40.715 0.400 . 1 . . . . 10 ASP CB . 11029 1 156 . 1 1 13 13 ASP HB2 H 1 2.703 0.020 . 2 . . . . 10 ASP HB2 . 11029 1 157 . 1 1 13 13 ASP HB3 H 1 2.563 0.020 . 2 . . . . 10 ASP HB3 . 11029 1 158 . 1 1 13 13 ASP C C 13 175.700 0.400 . 1 . . . . 10 ASP C . 11029 1 159 . 1 1 14 14 GLU N N 15 121.240 0.400 . 1 . . . . 11 GLU N . 11029 1 160 . 1 1 14 14 GLU H H 1 8.435 0.020 . 1 . . . . 11 GLU H . 11029 1 161 . 1 1 14 14 GLU CA C 13 55.858 0.400 . 1 . . . . 11 GLU CA . 11029 1 162 . 1 1 14 14 GLU HA H 1 4.289 0.020 . 1 . . . . 11 GLU HA . 11029 1 163 . 1 1 14 14 GLU CB C 13 29.758 0.400 . 1 . . . . 11 GLU CB . 11029 1 164 . 1 1 14 14 GLU HB2 H 1 2.072 0.020 . 2 . . . . 11 GLU HB2 . 11029 1 165 . 1 1 14 14 GLU HB3 H 1 1.936 0.020 . 2 . . . . 11 GLU HB3 . 11029 1 166 . 1 1 14 14 GLU CG C 13 35.612 0.400 . 1 . . . . 11 GLU CG . 11029 1 167 . 1 1 14 14 GLU HG2 H 1 2.268 0.020 . 2 . . . . 11 GLU HG2 . 11029 1 168 . 1 1 14 14 GLU HG3 H 1 2.198 0.020 . 2 . . . . 11 GLU HG3 . 11029 1 169 . 1 1 14 14 GLU C C 13 176.002 0.400 . 1 . . . . 11 GLU C . 11029 1 170 . 1 1 15 15 THR N N 15 118.367 0.400 . 1 . . . . 12 THR N . 11029 1 171 . 1 1 15 15 THR H H 1 8.407 0.020 . 1 . . . . 12 THR H . 11029 1 172 . 1 1 15 15 THR CA C 13 59.646 0.400 . 1 . . . . 12 THR CA . 11029 1 173 . 1 1 15 15 THR HA H 1 4.503 0.020 . 1 . . . . 12 THR HA . 11029 1 174 . 1 1 15 15 THR CB C 13 69.084 0.400 . 1 . . . . 12 THR CB . 11029 1 175 . 1 1 15 15 THR HB H 1 4.097 0.020 . 1 . . . . 12 THR HB . 11029 1 176 . 1 1 15 15 THR HG21 H 1 1.226 0.020 . 1 . . . . 12 THR HG2 . 11029 1 177 . 1 1 15 15 THR HG22 H 1 1.226 0.020 . 1 . . . . 12 THR HG2 . 11029 1 178 . 1 1 15 15 THR HG23 H 1 1.226 0.020 . 1 . . . . 12 THR HG2 . 11029 1 179 . 1 1 15 15 THR CG2 C 13 20.796 0.400 . 1 . . . . 12 THR CG2 . 11029 1 180 . 1 1 16 16 PRO CD C 13 50.473 0.400 . 1 . . . . 13 PRO CD . 11029 1 181 . 1 1 16 16 PRO CA C 13 62.791 0.400 . 1 . . . . 13 PRO CA . 11029 1 182 . 1 1 16 16 PRO HA H 1 4.408 0.020 . 1 . . . . 13 PRO HA . 11029 1 183 . 1 1 16 16 PRO CB C 13 31.771 0.400 . 1 . . . . 13 PRO CB . 11029 1 184 . 1 1 16 16 PRO HB2 H 1 2.263 0.020 . 2 . . . . 13 PRO HB2 . 11029 1 185 . 1 1 16 16 PRO HB3 H 1 1.943 0.020 . 2 . . . . 13 PRO HB3 . 11029 1 186 . 1 1 16 16 PRO CG C 13 26.836 0.400 . 1 . . . . 13 PRO CG . 11029 1 187 . 1 1 16 16 PRO HG2 H 1 2.034 0.020 . 2 . . . . 13 PRO HG2 . 11029 1 188 . 1 1 16 16 PRO HG3 H 1 1.942 0.020 . 2 . . . . 13 PRO HG3 . 11029 1 189 . 1 1 16 16 PRO HD2 H 1 3.823 0.020 . 2 . . . . 13 PRO HD2 . 11029 1 190 . 1 1 16 16 PRO HD3 H 1 3.676 0.020 . 2 . . . . 13 PRO HD3 . 11029 1 191 . 1 1 16 16 PRO C C 13 176.689 0.400 . 1 . . . . 13 PRO C . 11029 1 192 . 1 1 17 17 GLY N N 15 109.540 0.400 . 1 . . . . 14 GLY N . 11029 1 193 . 1 1 17 17 GLY H H 1 8.423 0.020 . 1 . . . . 14 GLY H . 11029 1 194 . 1 1 17 17 GLY CA C 13 44.219 0.400 . 1 . . . . 14 GLY CA . 11029 1 195 . 1 1 17 17 GLY HA2 H 1 4.010 0.020 . 2 . . . . 14 GLY HA2 . 11029 1 196 . 1 1 17 17 GLY HA3 H 1 4.159 0.020 . 2 . . . . 14 GLY HA3 . 11029 1 197 . 1 1 18 18 PRO CD C 13 49.486 0.400 . 1 . . . . 15 PRO CD . 11029 1 198 . 1 1 18 18 PRO CA C 13 62.843 0.400 . 1 . . . . 15 PRO CA . 11029 1 199 . 1 1 18 18 PRO HA H 1 4.412 0.020 . 1 . . . . 15 PRO HA . 11029 1 200 . 1 1 18 18 PRO CB C 13 31.667 0.400 . 1 . . . . 15 PRO CB . 11029 1 201 . 1 1 18 18 PRO HB2 H 1 2.275 0.020 . 2 . . . . 15 PRO HB2 . 11029 1 202 . 1 1 18 18 PRO HB3 H 1 1.938 0.020 . 2 . . . . 15 PRO HB3 . 11029 1 203 . 1 1 18 18 PRO CG C 13 26.686 0.400 . 1 . . . . 15 PRO CG . 11029 1 204 . 1 1 18 18 PRO HG2 H 1 1.987 0.020 . 2 . . . . 15 PRO HG2 . 11029 1 205 . 1 1 18 18 PRO HG3 H 1 1.987 0.020 . 2 . . . . 15 PRO HG3 . 11029 1 206 . 1 1 18 18 PRO HD2 H 1 3.619 0.020 . 2 . . . . 15 PRO HD2 . 11029 1 207 . 1 1 18 18 PRO HD3 H 1 3.619 0.020 . 2 . . . . 15 PRO HD3 . 11029 1 208 . 1 1 18 18 PRO C C 13 176.447 0.400 . 1 . . . . 15 PRO C . 11029 1 209 . 1 1 19 19 ASP N N 15 119.197 0.400 . 1 . . . . 16 ASP N . 11029 1 210 . 1 1 19 19 ASP H H 1 8.517 0.020 . 1 . . . . 16 ASP H . 11029 1 211 . 1 1 19 19 ASP CA C 13 53.940 0.400 . 1 . . . . 16 ASP CA . 11029 1 212 . 1 1 19 19 ASP HA H 1 4.559 0.020 . 1 . . . . 16 ASP HA . 11029 1 213 . 1 1 19 19 ASP CB C 13 40.180 0.400 . 1 . . . . 16 ASP CB . 11029 1 214 . 1 1 19 19 ASP HB2 H 1 2.702 0.020 . 2 . . . . 16 ASP HB2 . 11029 1 215 . 1 1 19 19 ASP HB3 H 1 2.607 0.020 . 2 . . . . 16 ASP HB3 . 11029 1 216 . 1 1 19 19 ASP C C 13 175.764 0.400 . 1 . . . . 16 ASP C . 11029 1 217 . 1 1 20 20 ARG N N 15 120.435 0.400 . 1 . . . . 17 ARG N . 11029 1 218 . 1 1 20 20 ARG H H 1 8.201 0.020 . 1 . . . . 17 ARG H . 11029 1 219 . 1 1 20 20 ARG CA C 13 55.216 0.400 . 1 . . . . 17 ARG CA . 11029 1 220 . 1 1 20 20 ARG HA H 1 4.356 0.020 . 1 . . . . 17 ARG HA . 11029 1 221 . 1 1 20 20 ARG CB C 13 30.184 0.400 . 1 . . . . 17 ARG CB . 11029 1 222 . 1 1 20 20 ARG HB2 H 1 1.875 0.020 . 2 . . . . 17 ARG HB2 . 11029 1 223 . 1 1 20 20 ARG HB3 H 1 1.730 0.020 . 2 . . . . 17 ARG HB3 . 11029 1 224 . 1 1 20 20 ARG CG C 13 26.404 0.400 . 1 . . . . 17 ARG CG . 11029 1 225 . 1 1 20 20 ARG HG2 H 1 1.597 0.020 . 2 . . . . 17 ARG HG2 . 11029 1 226 . 1 1 20 20 ARG HG3 H 1 1.597 0.020 . 2 . . . . 17 ARG HG3 . 11029 1 227 . 1 1 20 20 ARG CD C 13 42.630 0.400 . 1 . . . . 17 ARG CD . 11029 1 228 . 1 1 20 20 ARG HD2 H 1 3.135 0.020 . 2 . . . . 17 ARG HD2 . 11029 1 229 . 1 1 20 20 ARG HD3 H 1 3.135 0.020 . 2 . . . . 17 ARG HD3 . 11029 1 230 . 1 1 20 20 ARG NE N 15 84.200 0.400 . 1 . . . . 17 ARG NE . 11029 1 231 . 1 1 20 20 ARG HE H 1 7.249 0.020 . 1 . . . . 17 ARG HE . 11029 1 232 . 1 1 20 20 ARG CZ C 13 158.938 0.400 . 1 . . . . 17 ARG CZ . 11029 1 233 . 1 1 20 20 ARG HH11 H 1 6.957 0.020 . 2 . . . . 17 ARG HH11 . 11029 1 234 . 1 1 20 20 ARG HH12 H 1 6.957 0.020 . 2 . . . . 17 ARG HH12 . 11029 1 235 . 1 1 20 20 ARG HH21 H 1 6.529 0.020 . 2 . . . . 17 ARG HH21 . 11029 1 236 . 1 1 20 20 ARG HH22 H 1 6.529 0.020 . 2 . . . . 17 ARG HH22 . 11029 1 237 . 1 1 20 20 ARG C C 13 175.724 0.400 . 1 . . . . 17 ARG C . 11029 1 238 . 1 1 21 21 GLU N N 15 122.477 0.400 . 1 . . . . 18 GLU N . 11029 1 239 . 1 1 21 21 GLU H H 1 8.371 0.020 . 1 . . . . 18 GLU H . 11029 1 240 . 1 1 21 21 GLU CA C 13 53.658 0.400 . 1 . . . . 18 GLU CA . 11029 1 241 . 1 1 21 21 GLU HA H 1 4.657 0.020 . 1 . . . . 18 GLU HA . 11029 1 242 . 1 1 21 21 GLU CB C 13 28.984 0.400 . 1 . . . . 18 GLU CB . 11029 1 243 . 1 1 21 21 GLU HB2 H 1 2.071 0.020 . 2 . . . . 18 GLU HB2 . 11029 1 244 . 1 1 21 21 GLU HB3 H 1 1.882 0.020 . 2 . . . . 18 GLU HB3 . 11029 1 245 . 1 1 21 21 GLU CG C 13 35.094 0.400 . 1 . . . . 18 GLU CG . 11029 1 246 . 1 1 21 21 GLU HG2 H 1 2.346 0.020 . 2 . . . . 18 GLU HG2 . 11029 1 247 . 1 1 21 21 GLU HG3 H 1 2.279 0.020 . 2 . . . . 18 GLU HG3 . 11029 1 248 . 1 1 22 22 PRO CD C 13 50.032 0.400 . 1 . . . . 19 PRO CD . 11029 1 249 . 1 1 22 22 PRO CA C 13 62.442 0.400 . 1 . . . . 19 PRO CA . 11029 1 250 . 1 1 22 22 PRO HA H 1 4.516 0.020 . 1 . . . . 19 PRO HA . 11029 1 251 . 1 1 22 22 PRO CB C 13 31.903 0.400 . 1 . . . . 19 PRO CB . 11029 1 252 . 1 1 22 22 PRO HB2 H 1 2.228 0.020 . 2 . . . . 19 PRO HB2 . 11029 1 253 . 1 1 22 22 PRO HB3 H 1 1.936 0.020 . 2 . . . . 19 PRO HB3 . 11029 1 254 . 1 1 22 22 PRO CG C 13 26.807 0.400 . 1 . . . . 19 PRO CG . 11029 1 255 . 1 1 22 22 PRO HG2 H 1 2.059 0.020 . 2 . . . . 19 PRO HG2 . 11029 1 256 . 1 1 22 22 PRO HG3 H 1 2.059 0.020 . 2 . . . . 19 PRO HG3 . 11029 1 257 . 1 1 22 22 PRO HD2 H 1 3.858 0.020 . 2 . . . . 19 PRO HD2 . 11029 1 258 . 1 1 22 22 PRO HD3 H 1 3.721 0.020 . 2 . . . . 19 PRO HD3 . 11029 1 259 . 1 1 22 22 PRO C C 13 176.323 0.400 . 1 . . . . 19 PRO C . 11029 1 260 . 1 1 23 23 THR N N 15 112.531 0.400 . 1 . . . . 20 THR N . 11029 1 261 . 1 1 23 23 THR H H 1 7.946 0.020 . 1 . . . . 20 THR H . 11029 1 262 . 1 1 23 23 THR CA C 13 60.521 0.400 . 1 . . . . 20 THR CA . 11029 1 263 . 1 1 23 23 THR HA H 1 4.373 0.020 . 1 . . . . 20 THR HA . 11029 1 264 . 1 1 23 23 THR CB C 13 70.238 0.400 . 1 . . . . 20 THR CB . 11029 1 265 . 1 1 23 23 THR HB H 1 4.565 0.020 . 1 . . . . 20 THR HB . 11029 1 266 . 1 1 23 23 THR HG21 H 1 1.308 0.020 . 1 . . . . 20 THR HG2 . 11029 1 267 . 1 1 23 23 THR HG22 H 1 1.308 0.020 . 1 . . . . 20 THR HG2 . 11029 1 268 . 1 1 23 23 THR HG23 H 1 1.308 0.020 . 1 . . . . 20 THR HG2 . 11029 1 269 . 1 1 23 23 THR CG2 C 13 21.315 0.400 . 1 . . . . 20 THR CG2 . 11029 1 270 . 1 1 23 23 THR C C 13 174.678 0.400 . 1 . . . . 20 THR C . 11029 1 271 . 1 1 24 24 ASN N N 15 120.631 0.400 . 1 . . . . 21 ASN N . 11029 1 272 . 1 1 24 24 ASN H H 1 8.958 0.020 . 1 . . . . 21 ASN H . 11029 1 273 . 1 1 24 24 ASN CA C 13 54.854 0.400 . 1 . . . . 21 ASN CA . 11029 1 274 . 1 1 24 24 ASN HA H 1 4.467 0.020 . 1 . . . . 21 ASN HA . 11029 1 275 . 1 1 24 24 ASN CB C 13 37.535 0.400 . 1 . . . . 21 ASN CB . 11029 1 276 . 1 1 24 24 ASN HB2 H 1 2.804 0.020 . 2 . . . . 21 ASN HB2 . 11029 1 277 . 1 1 24 24 ASN HB3 H 1 2.804 0.020 . 2 . . . . 21 ASN HB3 . 11029 1 278 . 1 1 24 24 ASN ND2 N 15 113.418 0.400 . 1 . . . . 21 ASN ND2 . 11029 1 279 . 1 1 24 24 ASN HD21 H 1 7.808 0.020 . 2 . . . . 21 ASN HD21 . 11029 1 280 . 1 1 24 24 ASN HD22 H 1 7.067 0.020 . 2 . . . . 21 ASN HD22 . 11029 1 281 . 1 1 24 24 ASN C C 13 176.397 0.400 . 1 . . . . 21 ASN C . 11029 1 282 . 1 1 25 25 GLU N N 15 120.237 0.400 . 1 . . . . 22 GLU N . 11029 1 283 . 1 1 25 25 GLU H H 1 8.644 0.020 . 1 . . . . 22 GLU H . 11029 1 284 . 1 1 25 25 GLU CA C 13 59.195 0.400 . 1 . . . . 22 GLU CA . 11029 1 285 . 1 1 25 25 GLU HA H 1 4.076 0.020 . 1 . . . . 22 GLU HA . 11029 1 286 . 1 1 25 25 GLU CB C 13 28.567 0.400 . 1 . . . . 22 GLU CB . 11029 1 287 . 1 1 25 25 GLU HB2 H 1 2.026 0.020 . 2 . . . . 22 GLU HB2 . 11029 1 288 . 1 1 25 25 GLU HB3 H 1 2.026 0.020 . 2 . . . . 22 GLU HB3 . 11029 1 289 . 1 1 25 25 GLU CG C 13 35.952 0.400 . 1 . . . . 22 GLU CG . 11029 1 290 . 1 1 25 25 GLU HG2 H 1 2.335 0.020 . 2 . . . . 22 GLU HG2 . 11029 1 291 . 1 1 25 25 GLU HG3 H 1 2.335 0.020 . 2 . . . . 22 GLU HG3 . 11029 1 292 . 1 1 25 25 GLU C C 13 177.942 0.400 . 1 . . . . 22 GLU C . 11029 1 293 . 1 1 26 26 LEU N N 15 122.376 0.400 . 1 . . . . 23 LEU N . 11029 1 294 . 1 1 26 26 LEU H H 1 8.109 0.020 . 1 . . . . 23 LEU H . 11029 1 295 . 1 1 26 26 LEU CA C 13 56.940 0.400 . 1 . . . . 23 LEU CA . 11029 1 296 . 1 1 26 26 LEU HA H 1 4.247 0.020 . 1 . . . . 23 LEU HA . 11029 1 297 . 1 1 26 26 LEU CB C 13 40.425 0.400 . 1 . . . . 23 LEU CB . 11029 1 298 . 1 1 26 26 LEU HB2 H 1 1.780 0.020 . 2 . . . . 23 LEU HB2 . 11029 1 299 . 1 1 26 26 LEU HB3 H 1 1.568 0.020 . 2 . . . . 23 LEU HB3 . 11029 1 300 . 1 1 26 26 LEU CG C 13 26.415 0.400 . 1 . . . . 23 LEU CG . 11029 1 301 . 1 1 26 26 LEU HG H 1 1.563 0.020 . 1 . . . . 23 LEU HG . 11029 1 302 . 1 1 26 26 LEU HD11 H 1 0.992 0.020 . 2 . . . . 23 LEU HD1 . 11029 1 303 . 1 1 26 26 LEU HD12 H 1 0.992 0.020 . 2 . . . . 23 LEU HD1 . 11029 1 304 . 1 1 26 26 LEU HD13 H 1 0.992 0.020 . 2 . . . . 23 LEU HD1 . 11029 1 305 . 1 1 26 26 LEU HD21 H 1 0.866 0.020 . 2 . . . . 23 LEU HD2 . 11029 1 306 . 1 1 26 26 LEU HD22 H 1 0.866 0.020 . 2 . . . . 23 LEU HD2 . 11029 1 307 . 1 1 26 26 LEU HD23 H 1 0.866 0.020 . 2 . . . . 23 LEU HD2 . 11029 1 308 . 1 1 26 26 LEU CD1 C 13 23.035 0.400 . 1 . . . . 23 LEU CD1 . 11029 1 309 . 1 1 26 26 LEU CD2 C 13 25.272 0.400 . 1 . . . . 23 LEU CD2 . 11029 1 310 . 1 1 26 26 LEU C C 13 178.298 0.400 . 1 . . . . 23 LEU C . 11029 1 311 . 1 1 27 27 ARG N N 15 118.606 0.400 . 1 . . . . 24 ARG N . 11029 1 312 . 1 1 27 27 ARG H H 1 8.225 0.020 . 1 . . . . 24 ARG H . 11029 1 313 . 1 1 27 27 ARG CA C 13 59.892 0.400 . 1 . . . . 24 ARG CA . 11029 1 314 . 1 1 27 27 ARG HA H 1 3.875 0.020 . 1 . . . . 24 ARG HA . 11029 1 315 . 1 1 27 27 ARG CB C 13 28.853 0.400 . 1 . . . . 24 ARG CB . 11029 1 316 . 1 1 27 27 ARG HB2 H 1 1.905 0.020 . 2 . . . . 24 ARG HB2 . 11029 1 317 . 1 1 27 27 ARG HB3 H 1 1.905 0.020 . 2 . . . . 24 ARG HB3 . 11029 1 318 . 1 1 27 27 ARG CG C 13 27.577 0.400 . 1 . . . . 24 ARG CG . 11029 1 319 . 1 1 27 27 ARG HG2 H 1 1.739 0.020 . 2 . . . . 24 ARG HG2 . 11029 1 320 . 1 1 27 27 ARG HG3 H 1 1.594 0.020 . 2 . . . . 24 ARG HG3 . 11029 1 321 . 1 1 27 27 ARG CD C 13 42.645 0.400 . 1 . . . . 24 ARG CD . 11029 1 322 . 1 1 27 27 ARG HD2 H 1 3.236 0.020 . 2 . . . . 24 ARG HD2 . 11029 1 323 . 1 1 27 27 ARG HD3 H 1 3.163 0.020 . 2 . . . . 24 ARG HD3 . 11029 1 324 . 1 1 27 27 ARG NE N 15 83.805 0.400 . 1 . . . . 24 ARG NE . 11029 1 325 . 1 1 27 27 ARG HE H 1 7.433 0.020 . 1 . . . . 24 ARG HE . 11029 1 326 . 1 1 27 27 ARG CZ C 13 158.981 0.400 . 1 . . . . 24 ARG CZ . 11029 1 327 . 1 1 27 27 ARG HH11 H 1 7.031 0.020 . 2 . . . . 24 ARG HH11 . 11029 1 328 . 1 1 27 27 ARG HH12 H 1 7.031 0.020 . 2 . . . . 24 ARG HH12 . 11029 1 329 . 1 1 27 27 ARG HH21 H 1 6.677 0.020 . 2 . . . . 24 ARG HH21 . 11029 1 330 . 1 1 27 27 ARG HH22 H 1 6.677 0.020 . 2 . . . . 24 ARG HH22 . 11029 1 331 . 1 1 27 27 ARG C C 13 178.374 0.400 . 1 . . . . 24 ARG C . 11029 1 332 . 1 1 28 28 ASN N N 15 117.812 0.400 . 1 . . . . 25 ASN N . 11029 1 333 . 1 1 28 28 ASN H H 1 8.146 0.020 . 1 . . . . 25 ASN H . 11029 1 334 . 1 1 28 28 ASN CA C 13 55.753 0.400 . 1 . . . . 25 ASN CA . 11029 1 335 . 1 1 28 28 ASN HA H 1 4.452 0.020 . 1 . . . . 25 ASN HA . 11029 1 336 . 1 1 28 28 ASN CB C 13 37.388 0.400 . 1 . . . . 25 ASN CB . 11029 1 337 . 1 1 28 28 ASN HB2 H 1 2.908 0.020 . 2 . . . . 25 ASN HB2 . 11029 1 338 . 1 1 28 28 ASN HB3 H 1 2.908 0.020 . 2 . . . . 25 ASN HB3 . 11029 1 339 . 1 1 28 28 ASN ND2 N 15 112.610 0.400 . 1 . . . . 25 ASN ND2 . 11029 1 340 . 1 1 28 28 ASN HD21 H 1 7.777 0.020 . 2 . . . . 25 ASN HD21 . 11029 1 341 . 1 1 28 28 ASN HD22 H 1 6.906 0.020 . 2 . . . . 25 ASN HD22 . 11029 1 342 . 1 1 28 28 ASN C C 13 177.043 0.400 . 1 . . . . 25 ASN C . 11029 1 343 . 1 1 29 29 GLU N N 15 121.177 0.400 . 1 . . . . 26 GLU N . 11029 1 344 . 1 1 29 29 GLU H H 1 8.247 0.020 . 1 . . . . 26 GLU H . 11029 1 345 . 1 1 29 29 GLU CA C 13 58.897 0.400 . 1 . . . . 26 GLU CA . 11029 1 346 . 1 1 29 29 GLU HA H 1 4.075 0.020 . 1 . . . . 26 GLU HA . 11029 1 347 . 1 1 29 29 GLU CB C 13 29.202 0.400 . 1 . . . . 26 GLU CB . 11029 1 348 . 1 1 29 29 GLU HB2 H 1 2.244 0.020 . 2 . . . . 26 GLU HB2 . 11029 1 349 . 1 1 29 29 GLU HB3 H 1 2.122 0.020 . 2 . . . . 26 GLU HB3 . 11029 1 350 . 1 1 29 29 GLU CG C 13 35.407 0.400 . 1 . . . . 26 GLU CG . 11029 1 351 . 1 1 29 29 GLU HG2 H 1 2.353 0.020 . 2 . . . . 26 GLU HG2 . 11029 1 352 . 1 1 29 29 GLU HG3 H 1 2.353 0.020 . 2 . . . . 26 GLU HG3 . 11029 1 353 . 1 1 29 29 GLU C C 13 180.215 0.400 . 1 . . . . 26 GLU C . 11029 1 354 . 1 1 30 30 VAL N N 15 123.509 0.400 . 1 . . . . 27 VAL N . 11029 1 355 . 1 1 30 30 VAL H H 1 8.793 0.020 . 1 . . . . 27 VAL H . 11029 1 356 . 1 1 30 30 VAL CA C 13 68.051 0.400 . 1 . . . . 27 VAL CA . 11029 1 357 . 1 1 30 30 VAL HA H 1 3.413 0.020 . 1 . . . . 27 VAL HA . 11029 1 358 . 1 1 30 30 VAL CB C 13 31.196 0.400 . 1 . . . . 27 VAL CB . 11029 1 359 . 1 1 30 30 VAL HB H 1 2.355 0.020 . 1 . . . . 27 VAL HB . 11029 1 360 . 1 1 30 30 VAL HG11 H 1 0.862 0.020 . 2 . . . . 27 VAL HG1 . 11029 1 361 . 1 1 30 30 VAL HG12 H 1 0.862 0.020 . 2 . . . . 27 VAL HG1 . 11029 1 362 . 1 1 30 30 VAL HG13 H 1 0.862 0.020 . 2 . . . . 27 VAL HG1 . 11029 1 363 . 1 1 30 30 VAL HG21 H 1 1.016 0.020 . 2 . . . . 27 VAL HG2 . 11029 1 364 . 1 1 30 30 VAL HG22 H 1 1.016 0.020 . 2 . . . . 27 VAL HG2 . 11029 1 365 . 1 1 30 30 VAL HG23 H 1 1.016 0.020 . 2 . . . . 27 VAL HG2 . 11029 1 366 . 1 1 30 30 VAL CG1 C 13 21.151 0.400 . 1 . . . . 27 VAL CG1 . 11029 1 367 . 1 1 30 30 VAL CG2 C 13 25.237 0.400 . 1 . . . . 27 VAL CG2 . 11029 1 368 . 1 1 30 30 VAL C C 13 176.589 0.400 . 1 . . . . 27 VAL C . 11029 1 369 . 1 1 31 31 GLU N N 15 119.159 0.400 . 1 . . . . 28 GLU N . 11029 1 370 . 1 1 31 31 GLU H H 1 8.042 0.020 . 1 . . . . 28 GLU H . 11029 1 371 . 1 1 31 31 GLU CA C 13 59.379 0.400 . 1 . . . . 28 GLU CA . 11029 1 372 . 1 1 31 31 GLU HA H 1 3.946 0.020 . 1 . . . . 28 GLU HA . 11029 1 373 . 1 1 31 31 GLU CB C 13 28.603 0.400 . 1 . . . . 28 GLU CB . 11029 1 374 . 1 1 31 31 GLU HB2 H 1 2.140 0.020 . 2 . . . . 28 GLU HB2 . 11029 1 375 . 1 1 31 31 GLU HB3 H 1 2.140 0.020 . 2 . . . . 28 GLU HB3 . 11029 1 376 . 1 1 31 31 GLU CG C 13 35.645 0.400 . 1 . . . . 28 GLU CG . 11029 1 377 . 1 1 31 31 GLU HG2 H 1 2.444 0.020 . 2 . . . . 28 GLU HG2 . 11029 1 378 . 1 1 31 31 GLU HG3 H 1 2.282 0.020 . 2 . . . . 28 GLU HG3 . 11029 1 379 . 1 1 31 31 GLU C C 13 179.282 0.400 . 1 . . . . 28 GLU C . 11029 1 380 . 1 1 32 32 GLU N N 15 118.871 0.400 . 1 . . . . 29 GLU N . 11029 1 381 . 1 1 32 32 GLU H H 1 8.550 0.020 . 1 . . . . 29 GLU H . 11029 1 382 . 1 1 32 32 GLU CA C 13 58.770 0.400 . 1 . . . . 29 GLU CA . 11029 1 383 . 1 1 32 32 GLU HA H 1 4.056 0.020 . 1 . . . . 29 GLU HA . 11029 1 384 . 1 1 32 32 GLU CB C 13 29.214 0.400 . 1 . . . . 29 GLU CB . 11029 1 385 . 1 1 32 32 GLU HB2 H 1 2.108 0.020 . 2 . . . . 29 GLU HB2 . 11029 1 386 . 1 1 32 32 GLU HB3 H 1 2.028 0.020 . 2 . . . . 29 GLU HB3 . 11029 1 387 . 1 1 32 32 GLU CG C 13 35.631 0.400 . 1 . . . . 29 GLU CG . 11029 1 388 . 1 1 32 32 GLU HG2 H 1 2.416 0.020 . 2 . . . . 29 GLU HG2 . 11029 1 389 . 1 1 32 32 GLU HG3 H 1 2.223 0.020 . 2 . . . . 29 GLU HG3 . 11029 1 390 . 1 1 32 32 GLU C C 13 178.791 0.400 . 1 . . . . 29 GLU C . 11029 1 391 . 1 1 33 33 THR N N 15 117.719 0.400 . 1 . . . . 30 THR N . 11029 1 392 . 1 1 33 33 THR H H 1 8.205 0.020 . 1 . . . . 30 THR H . 11029 1 393 . 1 1 33 33 THR CA C 13 67.465 0.400 . 1 . . . . 30 THR CA . 11029 1 394 . 1 1 33 33 THR HA H 1 3.816 0.020 . 1 . . . . 30 THR HA . 11029 1 395 . 1 1 33 33 THR CB C 13 66.888 0.400 . 1 . . . . 30 THR CB . 11029 1 396 . 1 1 33 33 THR HB H 1 4.199 0.020 . 1 . . . . 30 THR HB . 11029 1 397 . 1 1 33 33 THR HG21 H 1 1.169 0.020 . 1 . . . . 30 THR HG2 . 11029 1 398 . 1 1 33 33 THR HG22 H 1 1.169 0.020 . 1 . . . . 30 THR HG2 . 11029 1 399 . 1 1 33 33 THR HG23 H 1 1.169 0.020 . 1 . . . . 30 THR HG2 . 11029 1 400 . 1 1 33 33 THR CG2 C 13 22.256 0.400 . 1 . . . . 30 THR CG2 . 11029 1 401 . 1 1 33 33 THR C C 13 175.681 0.400 . 1 . . . . 30 THR C . 11029 1 402 . 1 1 34 34 ILE N N 15 123.925 0.400 . 1 . . . . 31 ILE N . 11029 1 403 . 1 1 34 34 ILE H H 1 8.698 0.020 . 1 . . . . 31 ILE H . 11029 1 404 . 1 1 34 34 ILE CA C 13 66.438 0.400 . 1 . . . . 31 ILE CA . 11029 1 405 . 1 1 34 34 ILE HA H 1 3.442 0.020 . 1 . . . . 31 ILE HA . 11029 1 406 . 1 1 34 34 ILE CB C 13 37.311 0.400 . 1 . . . . 31 ILE CB . 11029 1 407 . 1 1 34 34 ILE HB H 1 2.014 0.020 . 1 . . . . 31 ILE HB . 11029 1 408 . 1 1 34 34 ILE HG21 H 1 0.873 0.020 . 1 . . . . 31 ILE HG2 . 11029 1 409 . 1 1 34 34 ILE HG22 H 1 0.873 0.020 . 1 . . . . 31 ILE HG2 . 11029 1 410 . 1 1 34 34 ILE HG23 H 1 0.873 0.020 . 1 . . . . 31 ILE HG2 . 11029 1 411 . 1 1 34 34 ILE CG2 C 13 17.232 0.400 . 1 . . . . 31 ILE CG2 . 11029 1 412 . 1 1 34 34 ILE HD11 H 1 0.888 0.020 . 1 . . . . 31 ILE HD1 . 11029 1 413 . 1 1 34 34 ILE HD12 H 1 0.888 0.020 . 1 . . . . 31 ILE HD1 . 11029 1 414 . 1 1 34 34 ILE HD13 H 1 0.888 0.020 . 1 . . . . 31 ILE HD1 . 11029 1 415 . 1 1 34 34 ILE CD1 C 13 14.386 0.400 . 1 . . . . 31 ILE CD1 . 11029 1 416 . 1 1 34 34 ILE C C 13 176.731 0.400 . 1 . . . . 31 ILE C . 11029 1 417 . 1 1 35 35 THR N N 15 116.478 0.400 . 1 . . . . 32 THR N . 11029 1 418 . 1 1 35 35 THR H H 1 7.956 0.020 . 1 . . . . 32 THR H . 11029 1 419 . 1 1 35 35 THR CA C 13 66.447 0.400 . 1 . . . . 32 THR CA . 11029 1 420 . 1 1 35 35 THR HA H 1 3.929 0.020 . 1 . . . . 32 THR HA . 11029 1 421 . 1 1 35 35 THR CB C 13 67.964 0.400 . 1 . . . . 32 THR CB . 11029 1 422 . 1 1 35 35 THR HB H 1 4.279 0.020 . 1 . . . . 32 THR HB . 11029 1 423 . 1 1 35 35 THR HG21 H 1 1.233 0.020 . 1 . . . . 32 THR HG2 . 11029 1 424 . 1 1 35 35 THR HG22 H 1 1.233 0.020 . 1 . . . . 32 THR HG2 . 11029 1 425 . 1 1 35 35 THR HG23 H 1 1.233 0.020 . 1 . . . . 32 THR HG2 . 11029 1 426 . 1 1 35 35 THR CG2 C 13 21.387 0.400 . 1 . . . . 32 THR CG2 . 11029 1 427 . 1 1 35 35 THR C C 13 176.226 0.400 . 1 . . . . 32 THR C . 11029 1 428 . 1 1 36 36 LEU N N 15 119.834 0.400 . 1 . . . . 33 LEU N . 11029 1 429 . 1 1 36 36 LEU H H 1 7.663 0.020 . 1 . . . . 33 LEU H . 11029 1 430 . 1 1 36 36 LEU CA C 13 57.274 0.400 . 1 . . . . 33 LEU CA . 11029 1 431 . 1 1 36 36 LEU HA H 1 4.075 0.020 . 1 . . . . 33 LEU HA . 11029 1 432 . 1 1 36 36 LEU CB C 13 42.188 0.400 . 1 . . . . 33 LEU CB . 11029 1 433 . 1 1 36 36 LEU HB2 H 1 1.531 0.020 . 2 . . . . 33 LEU HB2 . 11029 1 434 . 1 1 36 36 LEU HB3 H 1 1.994 0.020 . 2 . . . . 33 LEU HB3 . 11029 1 435 . 1 1 36 36 LEU CG C 13 26.110 0.400 . 1 . . . . 33 LEU CG . 11029 1 436 . 1 1 36 36 LEU HG H 1 1.863 0.020 . 1 . . . . 33 LEU HG . 11029 1 437 . 1 1 36 36 LEU HD11 H 1 0.932 0.020 . 2 . . . . 33 LEU HD1 . 11029 1 438 . 1 1 36 36 LEU HD12 H 1 0.932 0.020 . 2 . . . . 33 LEU HD1 . 11029 1 439 . 1 1 36 36 LEU HD13 H 1 0.932 0.020 . 2 . . . . 33 LEU HD1 . 11029 1 440 . 1 1 36 36 LEU HD21 H 1 0.867 0.020 . 2 . . . . 33 LEU HD2 . 11029 1 441 . 1 1 36 36 LEU HD22 H 1 0.867 0.020 . 2 . . . . 33 LEU HD2 . 11029 1 442 . 1 1 36 36 LEU HD23 H 1 0.867 0.020 . 2 . . . . 33 LEU HD2 . 11029 1 443 . 1 1 36 36 LEU CD1 C 13 24.734 0.400 . 1 . . . . 33 LEU CD1 . 11029 1 444 . 1 1 36 36 LEU CD2 C 13 22.711 0.400 . 1 . . . . 33 LEU CD2 . 11029 1 445 . 1 1 36 36 LEU C C 13 179.412 0.400 . 1 . . . . 33 LEU C . 11029 1 446 . 1 1 37 37 MET N N 15 119.993 0.400 . 1 . . . . 34 MET N . 11029 1 447 . 1 1 37 37 MET H H 1 8.509 0.020 . 1 . . . . 34 MET H . 11029 1 448 . 1 1 37 37 MET CA C 13 57.865 0.400 . 1 . . . . 34 MET CA . 11029 1 449 . 1 1 37 37 MET HA H 1 3.865 0.020 . 1 . . . . 34 MET HA . 11029 1 450 . 1 1 37 37 MET CB C 13 28.735 0.400 . 1 . . . . 34 MET CB . 11029 1 451 . 1 1 37 37 MET HB2 H 1 2.615 0.020 . 2 . . . . 34 MET HB2 . 11029 1 452 . 1 1 37 37 MET HB3 H 1 2.615 0.020 . 2 . . . . 34 MET HB3 . 11029 1 453 . 1 1 37 37 MET CG C 13 28.789 0.400 . 1 . . . . 34 MET CG . 11029 1 454 . 1 1 37 37 MET HG2 H 1 1.943 0.020 . 2 . . . . 34 MET HG2 . 11029 1 455 . 1 1 37 37 MET HG3 H 1 1.943 0.020 . 2 . . . . 34 MET HG3 . 11029 1 456 . 1 1 37 37 MET HE1 H 1 2.086 0.020 . 1 . . . . 34 MET HE . 11029 1 457 . 1 1 37 37 MET HE2 H 1 2.086 0.020 . 1 . . . . 34 MET HE . 11029 1 458 . 1 1 37 37 MET HE3 H 1 2.086 0.020 . 1 . . . . 34 MET HE . 11029 1 459 . 1 1 37 37 MET CE C 13 16.771 0.400 . 1 . . . . 34 MET CE . 11029 1 460 . 1 1 37 37 MET C C 13 178.772 0.400 . 1 . . . . 34 MET C . 11029 1 461 . 1 1 38 38 GLU N N 15 120.011 0.400 . 1 . . . . 35 GLU N . 11029 1 462 . 1 1 38 38 GLU H H 1 8.321 0.020 . 1 . . . . 35 GLU H . 11029 1 463 . 1 1 38 38 GLU CA C 13 58.442 0.400 . 1 . . . . 35 GLU CA . 11029 1 464 . 1 1 38 38 GLU HA H 1 3.928 0.020 . 1 . . . . 35 GLU HA . 11029 1 465 . 1 1 38 38 GLU CB C 13 28.943 0.400 . 1 . . . . 35 GLU CB . 11029 1 466 . 1 1 38 38 GLU HB2 H 1 2.190 0.020 . 2 . . . . 35 GLU HB2 . 11029 1 467 . 1 1 38 38 GLU HB3 H 1 2.097 0.020 . 2 . . . . 35 GLU HB3 . 11029 1 468 . 1 1 38 38 GLU CG C 13 37.766 0.400 . 1 . . . . 35 GLU CG . 11029 1 469 . 1 1 38 38 GLU HG2 H 1 2.715 0.020 . 2 . . . . 35 GLU HG2 . 11029 1 470 . 1 1 38 38 GLU HG3 H 1 2.715 0.020 . 2 . . . . 35 GLU HG3 . 11029 1 471 . 1 1 38 38 GLU C C 13 176.040 0.400 . 1 . . . . 35 GLU C . 11029 1 472 . 1 1 39 39 LEU N N 15 118.349 0.400 . 1 . . . . 36 LEU N . 11029 1 473 . 1 1 39 39 LEU H H 1 7.441 0.020 . 1 . . . . 36 LEU H . 11029 1 474 . 1 1 39 39 LEU CA C 13 54.614 0.400 . 1 . . . . 36 LEU CA . 11029 1 475 . 1 1 39 39 LEU HA H 1 4.393 0.020 . 1 . . . . 36 LEU HA . 11029 1 476 . 1 1 39 39 LEU CB C 13 42.210 0.400 . 1 . . . . 36 LEU CB . 11029 1 477 . 1 1 39 39 LEU HB2 H 1 1.595 0.020 . 2 . . . . 36 LEU HB2 . 11029 1 478 . 1 1 39 39 LEU HB3 H 1 1.986 0.020 . 2 . . . . 36 LEU HB3 . 11029 1 479 . 1 1 39 39 LEU CG C 13 25.826 0.400 . 1 . . . . 36 LEU CG . 11029 1 480 . 1 1 39 39 LEU HG H 1 1.922 0.020 . 1 . . . . 36 LEU HG . 11029 1 481 . 1 1 39 39 LEU HD11 H 1 0.925 0.020 . 2 . . . . 36 LEU HD1 . 11029 1 482 . 1 1 39 39 LEU HD12 H 1 0.925 0.020 . 2 . . . . 36 LEU HD1 . 11029 1 483 . 1 1 39 39 LEU HD13 H 1 0.925 0.020 . 2 . . . . 36 LEU HD1 . 11029 1 484 . 1 1 39 39 LEU HD21 H 1 0.864 0.020 . 2 . . . . 36 LEU HD2 . 11029 1 485 . 1 1 39 39 LEU HD22 H 1 0.864 0.020 . 2 . . . . 36 LEU HD2 . 11029 1 486 . 1 1 39 39 LEU HD23 H 1 0.864 0.020 . 2 . . . . 36 LEU HD2 . 11029 1 487 . 1 1 39 39 LEU CD1 C 13 25.166 0.400 . 1 . . . . 36 LEU CD1 . 11029 1 488 . 1 1 39 39 LEU CD2 C 13 21.992 0.400 . 1 . . . . 36 LEU CD2 . 11029 1 489 . 1 1 39 39 LEU C C 13 178.113 0.400 . 1 . . . . 36 LEU C . 11029 1 490 . 1 1 40 40 LEU N N 15 118.362 0.400 . 1 . . . . 37 LEU N . 11029 1 491 . 1 1 40 40 LEU H H 1 7.464 0.020 . 1 . . . . 37 LEU H . 11029 1 492 . 1 1 40 40 LEU CA C 13 54.659 0.400 . 1 . . . . 37 LEU CA . 11029 1 493 . 1 1 40 40 LEU HA H 1 4.400 0.020 . 1 . . . . 37 LEU HA . 11029 1 494 . 1 1 40 40 LEU CB C 13 40.993 0.400 . 1 . . . . 37 LEU CB . 11029 1 495 . 1 1 40 40 LEU HB2 H 1 1.941 0.020 . 2 . . . . 37 LEU HB2 . 11029 1 496 . 1 1 40 40 LEU HB3 H 1 1.941 0.020 . 2 . . . . 37 LEU HB3 . 11029 1 497 . 1 1 40 40 LEU CG C 13 26.113 0.400 . 1 . . . . 37 LEU CG . 11029 1 498 . 1 1 40 40 LEU HG H 1 2.187 0.020 . 1 . . . . 37 LEU HG . 11029 1 499 . 1 1 40 40 LEU HD11 H 1 0.903 0.020 . 2 . . . . 37 LEU HD1 . 11029 1 500 . 1 1 40 40 LEU HD12 H 1 0.903 0.020 . 2 . . . . 37 LEU HD1 . 11029 1 501 . 1 1 40 40 LEU HD13 H 1 0.903 0.020 . 2 . . . . 37 LEU HD1 . 11029 1 502 . 1 1 40 40 LEU HD21 H 1 0.859 0.020 . 2 . . . . 37 LEU HD2 . 11029 1 503 . 1 1 40 40 LEU HD22 H 1 0.859 0.020 . 2 . . . . 37 LEU HD2 . 11029 1 504 . 1 1 40 40 LEU HD23 H 1 0.859 0.020 . 2 . . . . 37 LEU HD2 . 11029 1 505 . 1 1 40 40 LEU CD1 C 13 26.526 0.400 . 1 . . . . 37 LEU CD1 . 11029 1 506 . 1 1 40 40 LEU CD2 C 13 21.538 0.400 . 1 . . . . 37 LEU CD2 . 11029 1 507 . 1 1 40 40 LEU C C 13 177.827 0.400 . 1 . . . . 37 LEU C . 11029 1 508 . 1 1 41 41 LYS N N 15 120.851 0.400 . 1 . . . . 38 LYS N . 11029 1 509 . 1 1 41 41 LYS H H 1 9.254 0.020 . 1 . . . . 38 LYS H . 11029 1 510 . 1 1 41 41 LYS CA C 13 54.727 0.400 . 1 . . . . 38 LYS CA . 11029 1 511 . 1 1 41 41 LYS HA H 1 4.572 0.020 . 1 . . . . 38 LYS HA . 11029 1 512 . 1 1 41 41 LYS CB C 13 33.768 0.400 . 1 . . . . 38 LYS CB . 11029 1 513 . 1 1 41 41 LYS HB2 H 1 2.256 0.020 . 2 . . . . 38 LYS HB2 . 11029 1 514 . 1 1 41 41 LYS HB3 H 1 1.619 0.020 . 2 . . . . 38 LYS HB3 . 11029 1 515 . 1 1 41 41 LYS CG C 13 24.671 0.400 . 1 . . . . 38 LYS CG . 11029 1 516 . 1 1 41 41 LYS HG2 H 1 1.626 0.020 . 2 . . . . 38 LYS HG2 . 11029 1 517 . 1 1 41 41 LYS HG3 H 1 1.626 0.020 . 2 . . . . 38 LYS HG3 . 11029 1 518 . 1 1 41 41 LYS CD C 13 28.803 0.400 . 1 . . . . 38 LYS CD . 11029 1 519 . 1 1 41 41 LYS HD2 H 1 1.757 0.020 . 2 . . . . 38 LYS HD2 . 11029 1 520 . 1 1 41 41 LYS HD3 H 1 1.659 0.020 . 2 . . . . 38 LYS HD3 . 11029 1 521 . 1 1 41 41 LYS CE C 13 41.333 0.400 . 1 . . . . 38 LYS CE . 11029 1 522 . 1 1 41 41 LYS HE2 H 1 3.013 0.020 . 2 . . . . 38 LYS HE2 . 11029 1 523 . 1 1 41 41 LYS HE3 H 1 3.013 0.020 . 2 . . . . 38 LYS HE3 . 11029 1 524 . 1 1 41 41 LYS C C 13 177.911 0.400 . 1 . . . . 38 LYS C . 11029 1 525 . 1 1 42 42 VAL N N 15 122.215 0.400 . 1 . . . . 39 VAL N . 11029 1 526 . 1 1 42 42 VAL H H 1 9.039 0.020 . 1 . . . . 39 VAL H . 11029 1 527 . 1 1 42 42 VAL CA C 13 67.408 0.400 . 1 . . . . 39 VAL CA . 11029 1 528 . 1 1 42 42 VAL HA H 1 3.699 0.020 . 1 . . . . 39 VAL HA . 11029 1 529 . 1 1 42 42 VAL CB C 13 31.056 0.400 . 1 . . . . 39 VAL CB . 11029 1 530 . 1 1 42 42 VAL HB H 1 2.163 0.020 . 1 . . . . 39 VAL HB . 11029 1 531 . 1 1 42 42 VAL HG11 H 1 1.133 0.020 . 2 . . . . 39 VAL HG1 . 11029 1 532 . 1 1 42 42 VAL HG12 H 1 1.133 0.020 . 2 . . . . 39 VAL HG1 . 11029 1 533 . 1 1 42 42 VAL HG13 H 1 1.133 0.020 . 2 . . . . 39 VAL HG1 . 11029 1 534 . 1 1 42 42 VAL HG21 H 1 1.028 0.020 . 2 . . . . 39 VAL HG2 . 11029 1 535 . 1 1 42 42 VAL HG22 H 1 1.028 0.020 . 2 . . . . 39 VAL HG2 . 11029 1 536 . 1 1 42 42 VAL HG23 H 1 1.028 0.020 . 2 . . . . 39 VAL HG2 . 11029 1 537 . 1 1 42 42 VAL CG1 C 13 23.160 0.400 . 1 . . . . 39 VAL CG1 . 11029 1 538 . 1 1 42 42 VAL CG2 C 13 20.342 0.400 . 1 . . . . 39 VAL CG2 . 11029 1 539 . 1 1 42 42 VAL C C 13 176.560 0.400 . 1 . . . . 39 VAL C . 11029 1 540 . 1 1 43 43 SER N N 15 114.377 0.400 . 1 . . . . 40 SER N . 11029 1 541 . 1 1 43 43 SER H H 1 8.686 0.020 . 1 . . . . 40 SER H . 11029 1 542 . 1 1 43 43 SER CA C 13 61.144 0.400 . 1 . . . . 40 SER CA . 11029 1 543 . 1 1 43 43 SER HA H 1 3.933 0.020 . 1 . . . . 40 SER HA . 11029 1 544 . 1 1 43 43 SER CB C 13 60.933 0.400 . 1 . . . . 40 SER CB . 11029 1 545 . 1 1 43 43 SER HB2 H 1 3.954 0.020 . 2 . . . . 40 SER HB2 . 11029 1 546 . 1 1 43 43 SER HB3 H 1 3.954 0.020 . 2 . . . . 40 SER HB3 . 11029 1 547 . 1 1 43 43 SER C C 13 175.910 0.400 . 1 . . . . 40 SER C . 11029 1 548 . 1 1 44 44 GLU N N 15 122.833 0.400 . 1 . . . . 41 GLU N . 11029 1 549 . 1 1 44 44 GLU H H 1 6.661 0.020 . 1 . . . . 41 GLU H . 11029 1 550 . 1 1 44 44 GLU CA C 13 57.315 0.400 . 1 . . . . 41 GLU CA . 11029 1 551 . 1 1 44 44 GLU HA H 1 4.363 0.020 . 1 . . . . 41 GLU HA . 11029 1 552 . 1 1 44 44 GLU CB C 13 30.399 0.400 . 1 . . . . 41 GLU CB . 11029 1 553 . 1 1 44 44 GLU HB2 H 1 1.989 0.020 . 2 . . . . 41 GLU HB2 . 11029 1 554 . 1 1 44 44 GLU HB3 H 1 1.989 0.020 . 2 . . . . 41 GLU HB3 . 11029 1 555 . 1 1 44 44 GLU CG C 13 36.320 0.400 . 1 . . . . 41 GLU CG . 11029 1 556 . 1 1 44 44 GLU HG2 H 1 2.360 0.020 . 2 . . . . 41 GLU HG2 . 11029 1 557 . 1 1 44 44 GLU HG3 H 1 2.360 0.020 . 2 . . . . 41 GLU HG3 . 11029 1 558 . 1 1 44 44 GLU C C 13 178.185 0.400 . 1 . . . . 41 GLU C . 11029 1 559 . 1 1 45 45 LEU N N 15 119.110 0.400 . 1 . . . . 42 LEU N . 11029 1 560 . 1 1 45 45 LEU H H 1 8.393 0.020 . 1 . . . . 42 LEU H . 11029 1 561 . 1 1 45 45 LEU CA C 13 57.359 0.400 . 1 . . . . 42 LEU CA . 11029 1 562 . 1 1 45 45 LEU HA H 1 3.918 0.020 . 1 . . . . 42 LEU HA . 11029 1 563 . 1 1 45 45 LEU CB C 13 42.476 0.400 . 1 . . . . 42 LEU CB . 11029 1 564 . 1 1 45 45 LEU HB2 H 1 1.348 0.020 . 2 . . . . 42 LEU HB2 . 11029 1 565 . 1 1 45 45 LEU HB3 H 1 1.348 0.020 . 2 . . . . 42 LEU HB3 . 11029 1 566 . 1 1 45 45 LEU CG C 13 26.279 0.400 . 1 . . . . 42 LEU CG . 11029 1 567 . 1 1 45 45 LEU HG H 1 1.673 0.020 . 1 . . . . 42 LEU HG . 11029 1 568 . 1 1 45 45 LEU HD11 H 1 0.978 0.020 . 2 . . . . 42 LEU HD1 . 11029 1 569 . 1 1 45 45 LEU HD12 H 1 0.978 0.020 . 2 . . . . 42 LEU HD1 . 11029 1 570 . 1 1 45 45 LEU HD13 H 1 0.978 0.020 . 2 . . . . 42 LEU HD1 . 11029 1 571 . 1 1 45 45 LEU HD21 H 1 0.899 0.020 . 2 . . . . 42 LEU HD2 . 11029 1 572 . 1 1 45 45 LEU HD22 H 1 0.899 0.020 . 2 . . . . 42 LEU HD2 . 11029 1 573 . 1 1 45 45 LEU HD23 H 1 0.899 0.020 . 2 . . . . 42 LEU HD2 . 11029 1 574 . 1 1 45 45 LEU CD1 C 13 26.383 0.400 . 1 . . . . 42 LEU CD1 . 11029 1 575 . 1 1 45 45 LEU CD2 C 13 23.797 0.400 . 1 . . . . 42 LEU CD2 . 11029 1 576 . 1 1 45 45 LEU C C 13 179.735 0.400 . 1 . . . . 42 LEU C . 11029 1 577 . 1 1 46 46 LYS N N 15 118.025 0.400 . 1 . . . . 43 LYS N . 11029 1 578 . 1 1 46 46 LYS H H 1 8.596 0.020 . 1 . . . . 43 LYS H . 11029 1 579 . 1 1 46 46 LYS CA C 13 60.844 0.400 . 1 . . . . 43 LYS CA . 11029 1 580 . 1 1 46 46 LYS HA H 1 3.816 0.020 . 1 . . . . 43 LYS HA . 11029 1 581 . 1 1 46 46 LYS CB C 13 31.918 0.400 . 1 . . . . 43 LYS CB . 11029 1 582 . 1 1 46 46 LYS HB2 H 1 1.970 0.020 . 2 . . . . 43 LYS HB2 . 11029 1 583 . 1 1 46 46 LYS HB3 H 1 1.970 0.020 . 2 . . . . 43 LYS HB3 . 11029 1 584 . 1 1 46 46 LYS CG C 13 26.847 0.400 . 1 . . . . 43 LYS CG . 11029 1 585 . 1 1 46 46 LYS HG2 H 1 1.332 0.020 . 2 . . . . 43 LYS HG2 . 11029 1 586 . 1 1 46 46 LYS HG3 H 1 1.332 0.020 . 2 . . . . 43 LYS HG3 . 11029 1 587 . 1 1 46 46 LYS CD C 13 29.343 0.400 . 1 . . . . 43 LYS CD . 11029 1 588 . 1 1 46 46 LYS HD2 H 1 1.692 0.020 . 2 . . . . 43 LYS HD2 . 11029 1 589 . 1 1 46 46 LYS HD3 H 1 1.692 0.020 . 2 . . . . 43 LYS HD3 . 11029 1 590 . 1 1 46 46 LYS CE C 13 41.325 0.400 . 1 . . . . 43 LYS CE . 11029 1 591 . 1 1 46 46 LYS HE2 H 1 2.835 0.020 . 2 . . . . 43 LYS HE2 . 11029 1 592 . 1 1 46 46 LYS HE3 H 1 2.835 0.020 . 2 . . . . 43 LYS HE3 . 11029 1 593 . 1 1 46 46 LYS C C 13 177.672 0.400 . 1 . . . . 43 LYS C . 11029 1 594 . 1 1 47 47 ASP N N 15 119.267 0.400 . 1 . . . . 44 ASP N . 11029 1 595 . 1 1 47 47 ASP H H 1 7.448 0.020 . 1 . . . . 44 ASP H . 11029 1 596 . 1 1 47 47 ASP CA C 13 57.422 0.400 . 1 . . . . 44 ASP CA . 11029 1 597 . 1 1 47 47 ASP HA H 1 4.555 0.020 . 1 . . . . 44 ASP HA . 11029 1 598 . 1 1 47 47 ASP CB C 13 39.264 0.400 . 1 . . . . 44 ASP CB . 11029 1 599 . 1 1 47 47 ASP HB2 H 1 3.001 0.020 . 2 . . . . 44 ASP HB2 . 11029 1 600 . 1 1 47 47 ASP HB3 H 1 2.572 0.020 . 2 . . . . 44 ASP HB3 . 11029 1 601 . 1 1 47 47 ASP C C 13 179.284 0.400 . 1 . . . . 44 ASP C . 11029 1 602 . 1 1 48 48 ILE N N 15 120.817 0.400 . 1 . . . . 45 ILE N . 11029 1 603 . 1 1 48 48 ILE H H 1 7.871 0.020 . 1 . . . . 45 ILE H . 11029 1 604 . 1 1 48 48 ILE CA C 13 64.604 0.400 . 1 . . . . 45 ILE CA . 11029 1 605 . 1 1 48 48 ILE HA H 1 3.653 0.020 . 1 . . . . 45 ILE HA . 11029 1 606 . 1 1 48 48 ILE CB C 13 36.293 0.400 . 1 . . . . 45 ILE CB . 11029 1 607 . 1 1 48 48 ILE HB H 1 2.150 0.020 . 1 . . . . 45 ILE HB . 11029 1 608 . 1 1 48 48 ILE HG21 H 1 0.827 0.020 . 1 . . . . 45 ILE HG2 . 11029 1 609 . 1 1 48 48 ILE HG22 H 1 0.827 0.020 . 1 . . . . 45 ILE HG2 . 11029 1 610 . 1 1 48 48 ILE HG23 H 1 0.827 0.020 . 1 . . . . 45 ILE HG2 . 11029 1 611 . 1 1 48 48 ILE CG2 C 13 16.339 0.400 . 1 . . . . 45 ILE CG2 . 11029 1 612 . 1 1 48 48 ILE CG1 C 13 28.469 0.400 . 1 . . . . 45 ILE CG1 . 11029 1 613 . 1 1 48 48 ILE HG12 H 1 1.133 0.020 . 2 . . . . 45 ILE HG12 . 11029 1 614 . 1 1 48 48 ILE HG13 H 1 1.754 0.020 . 2 . . . . 45 ILE HG13 . 11029 1 615 . 1 1 48 48 ILE HD11 H 1 0.815 0.020 . 1 . . . . 45 ILE HD1 . 11029 1 616 . 1 1 48 48 ILE HD12 H 1 0.815 0.020 . 1 . . . . 45 ILE HD1 . 11029 1 617 . 1 1 48 48 ILE HD13 H 1 0.815 0.020 . 1 . . . . 45 ILE HD1 . 11029 1 618 . 1 1 48 48 ILE CD1 C 13 12.968 0.400 . 1 . . . . 45 ILE CD1 . 11029 1 619 . 1 1 48 48 ILE C C 13 177.180 0.400 . 1 . . . . 45 ILE C . 11029 1 620 . 1 1 49 49 CYS N N 15 117.775 0.400 . 1 . . . . 46 CYS N . 11029 1 621 . 1 1 49 49 CYS H H 1 8.543 0.020 . 1 . . . . 46 CYS H . 11029 1 622 . 1 1 49 49 CYS CA C 13 64.971 0.400 . 1 . . . . 46 CYS CA . 11029 1 623 . 1 1 49 49 CYS HA H 1 3.852 0.020 . 1 . . . . 46 CYS HA . 11029 1 624 . 1 1 49 49 CYS CB C 13 25.872 0.400 . 1 . . . . 46 CYS CB . 11029 1 625 . 1 1 49 49 CYS HB2 H 1 2.699 0.020 . 2 . . . . 46 CYS HB2 . 11029 1 626 . 1 1 49 49 CYS HB3 H 1 3.144 0.020 . 2 . . . . 46 CYS HB3 . 11029 1 627 . 1 1 49 49 CYS C C 13 176.288 0.400 . 1 . . . . 46 CYS C . 11029 1 628 . 1 1 50 50 ARG N N 15 118.702 0.400 . 1 . . . . 47 ARG N . 11029 1 629 . 1 1 50 50 ARG H H 1 8.626 0.020 . 1 . . . . 47 ARG H . 11029 1 630 . 1 1 50 50 ARG CA C 13 58.983 0.400 . 1 . . . . 47 ARG CA . 11029 1 631 . 1 1 50 50 ARG HA H 1 4.058 0.020 . 1 . . . . 47 ARG HA . 11029 1 632 . 1 1 50 50 ARG CB C 13 29.512 0.400 . 1 . . . . 47 ARG CB . 11029 1 633 . 1 1 50 50 ARG HB2 H 1 1.934 0.020 . 2 . . . . 47 ARG HB2 . 11029 1 634 . 1 1 50 50 ARG HB3 H 1 1.934 0.020 . 2 . . . . 47 ARG HB3 . 11029 1 635 . 1 1 50 50 ARG CG C 13 28.156 0.400 . 1 . . . . 47 ARG CG . 11029 1 636 . 1 1 50 50 ARG HG2 H 1 1.847 0.020 . 2 . . . . 47 ARG HG2 . 11029 1 637 . 1 1 50 50 ARG HG3 H 1 1.606 0.020 . 2 . . . . 47 ARG HG3 . 11029 1 638 . 1 1 50 50 ARG CD C 13 42.576 0.400 . 1 . . . . 47 ARG CD . 11029 1 639 . 1 1 50 50 ARG HD2 H 1 3.282 0.020 . 2 . . . . 47 ARG HD2 . 11029 1 640 . 1 1 50 50 ARG HD3 H 1 3.223 0.020 . 2 . . . . 47 ARG HD3 . 11029 1 641 . 1 1 50 50 ARG NE N 15 84.608 0.400 . 1 . . . . 47 ARG NE . 11029 1 642 . 1 1 50 50 ARG HE H 1 7.421 0.020 . 1 . . . . 47 ARG HE . 11029 1 643 . 1 1 50 50 ARG CZ C 13 158.798 0.400 . 1 . . . . 47 ARG CZ . 11029 1 644 . 1 1 50 50 ARG HH11 H 1 7.011 0.020 . 2 . . . . 47 ARG HH11 . 11029 1 645 . 1 1 50 50 ARG HH12 H 1 7.011 0.020 . 2 . . . . 47 ARG HH12 . 11029 1 646 . 1 1 50 50 ARG HH21 H 1 6.607 0.020 . 2 . . . . 47 ARG HH21 . 11029 1 647 . 1 1 50 50 ARG HH22 H 1 6.607 0.020 . 2 . . . . 47 ARG HH22 . 11029 1 648 . 1 1 50 50 ARG C C 13 179.270 0.400 . 1 . . . . 47 ARG C . 11029 1 649 . 1 1 51 51 SER N N 15 114.502 0.400 . 1 . . . . 48 SER N . 11029 1 650 . 1 1 51 51 SER H H 1 7.514 0.020 . 1 . . . . 48 SER H . 11029 1 651 . 1 1 51 51 SER CA C 13 61.745 0.400 . 1 . . . . 48 SER CA . 11029 1 652 . 1 1 51 51 SER HA H 1 4.308 0.020 . 1 . . . . 48 SER HA . 11029 1 653 . 1 1 51 51 SER CB C 13 62.780 0.400 . 1 . . . . 48 SER CB . 11029 1 654 . 1 1 51 51 SER HB2 H 1 4.129 0.020 . 2 . . . . 48 SER HB2 . 11029 1 655 . 1 1 51 51 SER HB3 H 1 4.129 0.020 . 2 . . . . 48 SER HB3 . 11029 1 656 . 1 1 51 51 SER C C 13 176.764 0.400 . 1 . . . . 48 SER C . 11029 1 657 . 1 1 52 52 VAL N N 15 113.832 0.400 . 1 . . . . 49 VAL N . 11029 1 658 . 1 1 52 52 VAL H H 1 7.511 0.020 . 1 . . . . 49 VAL H . 11029 1 659 . 1 1 52 52 VAL CA C 13 60.751 0.400 . 1 . . . . 49 VAL CA . 11029 1 660 . 1 1 52 52 VAL HA H 1 3.760 0.020 . 1 . . . . 49 VAL HA . 11029 1 661 . 1 1 52 52 VAL CB C 13 30.719 0.400 . 1 . . . . 49 VAL CB . 11029 1 662 . 1 1 52 52 VAL HB H 1 1.042 0.020 . 1 . . . . 49 VAL HB . 11029 1 663 . 1 1 52 52 VAL HG11 H 1 -0.288 0.020 . 2 . . . . 49 VAL HG1 . 11029 1 664 . 1 1 52 52 VAL HG12 H 1 -0.288 0.020 . 2 . . . . 49 VAL HG1 . 11029 1 665 . 1 1 52 52 VAL HG13 H 1 -0.288 0.020 . 2 . . . . 49 VAL HG1 . 11029 1 666 . 1 1 52 52 VAL HG21 H 1 -0.043 0.020 . 2 . . . . 49 VAL HG2 . 11029 1 667 . 1 1 52 52 VAL HG22 H 1 -0.043 0.020 . 2 . . . . 49 VAL HG2 . 11029 1 668 . 1 1 52 52 VAL HG23 H 1 -0.043 0.020 . 2 . . . . 49 VAL HG2 . 11029 1 669 . 1 1 52 52 VAL CG1 C 13 20.792 0.400 . 1 . . . . 49 VAL CG1 . 11029 1 670 . 1 1 52 52 VAL CG2 C 13 19.426 0.400 . 1 . . . . 49 VAL CG2 . 11029 1 671 . 1 1 52 52 VAL C C 13 173.462 0.400 . 1 . . . . 49 VAL C . 11029 1 672 . 1 1 53 53 SER N N 15 112.698 0.400 . 1 . . . . 50 SER N . 11029 1 673 . 1 1 53 53 SER H H 1 7.653 0.020 . 1 . . . . 50 SER H . 11029 1 674 . 1 1 53 53 SER CA C 13 59.025 0.400 . 1 . . . . 50 SER CA . 11029 1 675 . 1 1 53 53 SER HA H 1 3.911 0.020 . 1 . . . . 50 SER HA . 11029 1 676 . 1 1 53 53 SER CB C 13 60.895 0.400 . 1 . . . . 50 SER CB . 11029 1 677 . 1 1 53 53 SER HB2 H 1 4.160 0.020 . 2 . . . . 50 SER HB2 . 11029 1 678 . 1 1 53 53 SER HB3 H 1 3.947 0.020 . 2 . . . . 50 SER HB3 . 11029 1 679 . 1 1 53 53 SER C C 13 174.065 0.400 . 1 . . . . 50 SER C . 11029 1 680 . 1 1 54 54 PHE N N 15 120.132 0.400 . 1 . . . . 51 PHE N . 11029 1 681 . 1 1 54 54 PHE H H 1 8.332 0.020 . 1 . . . . 51 PHE H . 11029 1 682 . 1 1 54 54 PHE CA C 13 51.743 0.400 . 1 . . . . 51 PHE CA . 11029 1 683 . 1 1 54 54 PHE HA H 1 5.171 0.020 . 1 . . . . 51 PHE HA . 11029 1 684 . 1 1 54 54 PHE CB C 13 37.762 0.400 . 1 . . . . 51 PHE CB . 11029 1 685 . 1 1 54 54 PHE HB2 H 1 3.154 0.020 . 2 . . . . 51 PHE HB2 . 11029 1 686 . 1 1 54 54 PHE HB3 H 1 2.571 0.020 . 2 . . . . 51 PHE HB3 . 11029 1 687 . 1 1 54 54 PHE CD1 C 13 129.501 0.400 . 1 . . . . 51 PHE CD1 . 11029 1 688 . 1 1 54 54 PHE HD1 H 1 6.982 0.020 . 1 . . . . 51 PHE HD1 . 11029 1 689 . 1 1 54 54 PHE CE1 C 13 130.135 0.400 . 1 . . . . 51 PHE CE1 . 11029 1 690 . 1 1 54 54 PHE HE1 H 1 6.765 0.020 . 1 . . . . 51 PHE HE1 . 11029 1 691 . 1 1 54 54 PHE CZ C 13 128.686 0.400 . 1 . . . . 51 PHE CZ . 11029 1 692 . 1 1 54 54 PHE HZ H 1 6.538 0.020 . 1 . . . . 51 PHE HZ . 11029 1 693 . 1 1 54 54 PHE HE2 H 1 6.765 0.020 . 1 . . . . 51 PHE HE2 . 11029 1 694 . 1 1 54 54 PHE HD2 H 1 6.982 0.020 . 1 . . . . 51 PHE HD2 . 11029 1 695 . 1 1 55 55 PRO CD C 13 49.670 0.400 . 1 . . . . 52 PRO CD . 11029 1 696 . 1 1 55 55 PRO CA C 13 62.176 0.400 . 1 . . . . 52 PRO CA . 11029 1 697 . 1 1 55 55 PRO HA H 1 4.417 0.020 . 1 . . . . 52 PRO HA . 11029 1 698 . 1 1 55 55 PRO CB C 13 31.347 0.400 . 1 . . . . 52 PRO CB . 11029 1 699 . 1 1 55 55 PRO HB2 H 1 2.315 0.020 . 2 . . . . 52 PRO HB2 . 11029 1 700 . 1 1 55 55 PRO HB3 H 1 1.947 0.020 . 2 . . . . 52 PRO HB3 . 11029 1 701 . 1 1 55 55 PRO CG C 13 27.140 0.400 . 1 . . . . 52 PRO CG . 11029 1 702 . 1 1 55 55 PRO HG2 H 1 1.947 0.020 . 2 . . . . 52 PRO HG2 . 11029 1 703 . 1 1 55 55 PRO HG3 H 1 1.947 0.020 . 2 . . . . 52 PRO HG3 . 11029 1 704 . 1 1 55 55 PRO HD2 H 1 3.806 0.020 . 2 . . . . 52 PRO HD2 . 11029 1 705 . 1 1 55 55 PRO HD3 H 1 3.461 0.020 . 2 . . . . 52 PRO HD3 . 11029 1 706 . 1 1 55 55 PRO C C 13 176.296 0.400 . 1 . . . . 52 PRO C . 11029 1 707 . 1 1 56 56 VAL N N 15 109.933 0.400 . 1 . . . . 53 VAL N . 11029 1 708 . 1 1 56 56 VAL H H 1 7.986 0.020 . 1 . . . . 53 VAL H . 11029 1 709 . 1 1 56 56 VAL CA C 13 59.863 0.400 . 1 . . . . 53 VAL CA . 11029 1 710 . 1 1 56 56 VAL HA H 1 4.404 0.020 . 1 . . . . 53 VAL HA . 11029 1 711 . 1 1 56 56 VAL CB C 13 31.483 0.400 . 1 . . . . 53 VAL CB . 11029 1 712 . 1 1 56 56 VAL HB H 1 2.330 0.020 . 1 . . . . 53 VAL HB . 11029 1 713 . 1 1 56 56 VAL HG11 H 1 0.833 0.020 . 2 . . . . 53 VAL HG1 . 11029 1 714 . 1 1 56 56 VAL HG12 H 1 0.833 0.020 . 2 . . . . 53 VAL HG1 . 11029 1 715 . 1 1 56 56 VAL HG13 H 1 0.833 0.020 . 2 . . . . 53 VAL HG1 . 11029 1 716 . 1 1 56 56 VAL HG21 H 1 0.936 0.020 . 2 . . . . 53 VAL HG2 . 11029 1 717 . 1 1 56 56 VAL HG22 H 1 0.936 0.020 . 2 . . . . 53 VAL HG2 . 11029 1 718 . 1 1 56 56 VAL HG23 H 1 0.936 0.020 . 2 . . . . 53 VAL HG2 . 11029 1 719 . 1 1 56 56 VAL CG1 C 13 18.189 0.400 . 1 . . . . 53 VAL CG1 . 11029 1 720 . 1 1 56 56 VAL CG2 C 13 21.977 0.400 . 1 . . . . 53 VAL CG2 . 11029 1 721 . 1 1 56 56 VAL C C 13 175.074 0.400 . 1 . . . . 53 VAL C . 11029 1 722 . 1 1 57 57 SER N N 15 114.614 0.400 . 1 . . . . 54 SER N . 11029 1 723 . 1 1 57 57 SER H H 1 7.304 0.020 . 1 . . . . 54 SER H . 11029 1 724 . 1 1 57 57 SER CA C 13 57.295 0.400 . 1 . . . . 54 SER CA . 11029 1 725 . 1 1 57 57 SER HA H 1 4.363 0.020 . 1 . . . . 54 SER HA . 11029 1 726 . 1 1 57 57 SER CB C 13 63.351 0.400 . 1 . . . . 54 SER CB . 11029 1 727 . 1 1 57 57 SER HB2 H 1 3.909 0.020 . 2 . . . . 54 SER HB2 . 11029 1 728 . 1 1 57 57 SER HB3 H 1 3.743 0.020 . 2 . . . . 54 SER HB3 . 11029 1 729 . 1 1 57 57 SER C C 13 174.225 0.400 . 1 . . . . 54 SER C . 11029 1 730 . 1 1 58 58 GLY N N 15 110.300 0.400 . 1 . . . . 55 GLY N . 11029 1 731 . 1 1 58 58 GLY H H 1 8.545 0.020 . 1 . . . . 55 GLY H . 11029 1 732 . 1 1 58 58 GLY CA C 13 43.806 0.400 . 1 . . . . 55 GLY CA . 11029 1 733 . 1 1 58 58 GLY HA2 H 1 4.009 0.020 . 2 . . . . 55 GLY HA2 . 11029 1 734 . 1 1 58 58 GLY HA3 H 1 3.715 0.020 . 2 . . . . 55 GLY HA3 . 11029 1 735 . 1 1 58 58 GLY C C 13 172.483 0.400 . 1 . . . . 55 GLY C . 11029 1 736 . 1 1 59 59 ARG N N 15 116.392 0.400 . 1 . . . . 56 ARG N . 11029 1 737 . 1 1 59 59 ARG H H 1 7.913 0.020 . 1 . . . . 56 ARG H . 11029 1 738 . 1 1 59 59 ARG CA C 13 54.769 0.400 . 1 . . . . 56 ARG CA . 11029 1 739 . 1 1 59 59 ARG HA H 1 4.371 0.020 . 1 . . . . 56 ARG HA . 11029 1 740 . 1 1 59 59 ARG CB C 13 30.447 0.400 . 1 . . . . 56 ARG CB . 11029 1 741 . 1 1 59 59 ARG HB2 H 1 2.064 0.020 . 2 . . . . 56 ARG HB2 . 11029 1 742 . 1 1 59 59 ARG HB3 H 1 1.840 0.020 . 2 . . . . 56 ARG HB3 . 11029 1 743 . 1 1 59 59 ARG CG C 13 27.253 0.400 . 1 . . . . 56 ARG CG . 11029 1 744 . 1 1 59 59 ARG HG2 H 1 1.745 0.020 . 2 . . . . 56 ARG HG2 . 11029 1 745 . 1 1 59 59 ARG HG3 H 1 1.745 0.020 . 2 . . . . 56 ARG HG3 . 11029 1 746 . 1 1 59 59 ARG CD C 13 42.750 0.400 . 1 . . . . 56 ARG CD . 11029 1 747 . 1 1 59 59 ARG HD2 H 1 3.253 0.020 . 2 . . . . 56 ARG HD2 . 11029 1 748 . 1 1 59 59 ARG HD3 H 1 3.253 0.020 . 2 . . . . 56 ARG HD3 . 11029 1 749 . 1 1 59 59 ARG NE N 15 84.580 0.400 . 1 . . . . 56 ARG NE . 11029 1 750 . 1 1 59 59 ARG HE H 1 7.294 0.020 . 1 . . . . 56 ARG HE . 11029 1 751 . 1 1 59 59 ARG CZ C 13 158.979 0.400 . 1 . . . . 56 ARG CZ . 11029 1 752 . 1 1 59 59 ARG C C 13 176.019 0.400 . 1 . . . . 56 ARG C . 11029 1 753 . 1 1 60 60 LYS N N 15 122.009 0.400 . 1 . . . . 57 LYS N . 11029 1 754 . 1 1 60 60 LYS H H 1 8.811 0.020 . 1 . . . . 57 LYS H . 11029 1 755 . 1 1 60 60 LYS CA C 13 61.236 0.400 . 1 . . . . 57 LYS CA . 11029 1 756 . 1 1 60 60 LYS HA H 1 3.606 0.020 . 1 . . . . 57 LYS HA . 11029 1 757 . 1 1 60 60 LYS CB C 13 32.419 0.400 . 1 . . . . 57 LYS CB . 11029 1 758 . 1 1 60 60 LYS HB2 H 1 1.888 0.020 . 2 . . . . 57 LYS HB2 . 11029 1 759 . 1 1 60 60 LYS HB3 H 1 1.888 0.020 . 2 . . . . 57 LYS HB3 . 11029 1 760 . 1 1 60 60 LYS CG C 13 23.203 0.400 . 1 . . . . 57 LYS CG . 11029 1 761 . 1 1 60 60 LYS HG2 H 1 1.132 0.020 . 2 . . . . 57 LYS HG2 . 11029 1 762 . 1 1 60 60 LYS HG3 H 1 1.132 0.020 . 2 . . . . 57 LYS HG3 . 11029 1 763 . 1 1 60 60 LYS CD C 13 29.456 0.400 . 1 . . . . 57 LYS CD . 11029 1 764 . 1 1 60 60 LYS HD2 H 1 1.735 0.020 . 2 . . . . 57 LYS HD2 . 11029 1 765 . 1 1 60 60 LYS HD3 H 1 1.735 0.020 . 2 . . . . 57 LYS HD3 . 11029 1 766 . 1 1 60 60 LYS CE C 13 41.550 0.400 . 1 . . . . 57 LYS CE . 11029 1 767 . 1 1 60 60 LYS HE2 H 1 2.877 0.020 . 2 . . . . 57 LYS HE2 . 11029 1 768 . 1 1 60 60 LYS HE3 H 1 2.877 0.020 . 2 . . . . 57 LYS HE3 . 11029 1 769 . 1 1 60 60 LYS C C 13 176.824 0.400 . 1 . . . . 57 LYS C . 11029 1 770 . 1 1 61 61 ALA N N 15 116.880 0.400 . 1 . . . . 58 ALA N . 11029 1 771 . 1 1 61 61 ALA H H 1 8.794 0.020 . 1 . . . . 58 ALA H . 11029 1 772 . 1 1 61 61 ALA CA C 13 54.617 0.400 . 1 . . . . 58 ALA CA . 11029 1 773 . 1 1 61 61 ALA HA H 1 4.129 0.020 . 1 . . . . 58 ALA HA . 11029 1 774 . 1 1 61 61 ALA HB1 H 1 1.395 0.020 . 1 . . . . 58 ALA HB . 11029 1 775 . 1 1 61 61 ALA HB2 H 1 1.395 0.020 . 1 . . . . 58 ALA HB . 11029 1 776 . 1 1 61 61 ALA HB3 H 1 1.395 0.020 . 1 . . . . 58 ALA HB . 11029 1 777 . 1 1 61 61 ALA CB C 13 18.103 0.400 . 1 . . . . 58 ALA CB . 11029 1 778 . 1 1 61 61 ALA C C 13 179.574 0.400 . 1 . . . . 58 ALA C . 11029 1 779 . 1 1 62 62 VAL N N 15 117.408 0.400 . 1 . . . . 59 VAL N . 11029 1 780 . 1 1 62 62 VAL H H 1 7.047 0.020 . 1 . . . . 59 VAL H . 11029 1 781 . 1 1 62 62 VAL CA C 13 64.864 0.400 . 1 . . . . 59 VAL CA . 11029 1 782 . 1 1 62 62 VAL HA H 1 3.701 0.020 . 1 . . . . 59 VAL HA . 11029 1 783 . 1 1 62 62 VAL CB C 13 31.301 0.400 . 1 . . . . 59 VAL CB . 11029 1 784 . 1 1 62 62 VAL HB H 1 2.245 0.020 . 1 . . . . 59 VAL HB . 11029 1 785 . 1 1 62 62 VAL HG11 H 1 0.932 0.020 . 2 . . . . 59 VAL HG1 . 11029 1 786 . 1 1 62 62 VAL HG12 H 1 0.932 0.020 . 2 . . . . 59 VAL HG1 . 11029 1 787 . 1 1 62 62 VAL HG13 H 1 0.932 0.020 . 2 . . . . 59 VAL HG1 . 11029 1 788 . 1 1 62 62 VAL HG21 H 1 1.036 0.020 . 2 . . . . 59 VAL HG2 . 11029 1 789 . 1 1 62 62 VAL HG22 H 1 1.036 0.020 . 2 . . . . 59 VAL HG2 . 11029 1 790 . 1 1 62 62 VAL HG23 H 1 1.036 0.020 . 2 . . . . 59 VAL HG2 . 11029 1 791 . 1 1 62 62 VAL CG1 C 13 20.093 0.400 . 1 . . . . 59 VAL CG1 . 11029 1 792 . 1 1 62 62 VAL CG2 C 13 22.195 0.400 . 1 . . . . 59 VAL CG2 . 11029 1 793 . 1 1 62 62 VAL C C 13 178.103 0.400 . 1 . . . . 59 VAL C . 11029 1 794 . 1 1 63 63 LEU N N 15 119.573 0.400 . 1 . . . . 60 LEU N . 11029 1 795 . 1 1 63 63 LEU H H 1 7.585 0.020 . 1 . . . . 60 LEU H . 11029 1 796 . 1 1 63 63 LEU CA C 13 57.571 0.400 . 1 . . . . 60 LEU CA . 11029 1 797 . 1 1 63 63 LEU HA H 1 3.923 0.020 . 1 . . . . 60 LEU HA . 11029 1 798 . 1 1 63 63 LEU CB C 13 41.711 0.400 . 1 . . . . 60 LEU CB . 11029 1 799 . 1 1 63 63 LEU HB2 H 1 2.071 0.020 . 2 . . . . 60 LEU HB2 . 11029 1 800 . 1 1 63 63 LEU HB3 H 1 1.242 0.020 . 2 . . . . 60 LEU HB3 . 11029 1 801 . 1 1 63 63 LEU CG C 13 26.389 0.400 . 1 . . . . 60 LEU CG . 11029 1 802 . 1 1 63 63 LEU HG H 1 1.600 0.020 . 1 . . . . 60 LEU HG . 11029 1 803 . 1 1 63 63 LEU HD11 H 1 0.790 0.020 . 2 . . . . 60 LEU HD1 . 11029 1 804 . 1 1 63 63 LEU HD12 H 1 0.790 0.020 . 2 . . . . 60 LEU HD1 . 11029 1 805 . 1 1 63 63 LEU HD13 H 1 0.790 0.020 . 2 . . . . 60 LEU HD1 . 11029 1 806 . 1 1 63 63 LEU HD21 H 1 0.790 0.020 . 2 . . . . 60 LEU HD2 . 11029 1 807 . 1 1 63 63 LEU HD22 H 1 0.790 0.020 . 2 . . . . 60 LEU HD2 . 11029 1 808 . 1 1 63 63 LEU HD23 H 1 0.790 0.020 . 2 . . . . 60 LEU HD2 . 11029 1 809 . 1 1 63 63 LEU CD1 C 13 26.824 0.400 . 1 . . . . 60 LEU CD1 . 11029 1 810 . 1 1 63 63 LEU C C 13 178.692 0.400 . 1 . . . . 60 LEU C . 11029 1 811 . 1 1 64 64 GLN N N 15 114.206 0.400 . 1 . . . . 61 GLN N . 11029 1 812 . 1 1 64 64 GLN H H 1 8.373 0.020 . 1 . . . . 61 GLN H . 11029 1 813 . 1 1 64 64 GLN CA C 13 58.039 0.400 . 1 . . . . 61 GLN CA . 11029 1 814 . 1 1 64 64 GLN HA H 1 4.090 0.020 . 1 . . . . 61 GLN HA . 11029 1 815 . 1 1 64 64 GLN CB C 13 28.670 0.400 . 1 . . . . 61 GLN CB . 11029 1 816 . 1 1 64 64 GLN HB2 H 1 2.356 0.020 . 2 . . . . 61 GLN HB2 . 11029 1 817 . 1 1 64 64 GLN HB3 H 1 1.625 0.020 . 2 . . . . 61 GLN HB3 . 11029 1 818 . 1 1 64 64 GLN NE2 N 15 114.484 0.400 . 1 . . . . 61 GLN NE2 . 11029 1 819 . 1 1 64 64 GLN HE21 H 1 8.987 0.020 . 2 . . . . 61 GLN HE21 . 11029 1 820 . 1 1 64 64 GLN HE22 H 1 7.155 0.020 . 2 . . . . 61 GLN HE22 . 11029 1 821 . 1 1 64 64 GLN C C 13 178.207 0.400 . 1 . . . . 61 GLN C . 11029 1 822 . 1 1 65 65 ASP N N 15 118.671 0.400 . 1 . . . . 62 ASP N . 11029 1 823 . 1 1 65 65 ASP H H 1 7.973 0.020 . 1 . . . . 62 ASP H . 11029 1 824 . 1 1 65 65 ASP CA C 13 56.961 0.400 . 1 . . . . 62 ASP CA . 11029 1 825 . 1 1 65 65 ASP HA H 1 4.353 0.020 . 1 . . . . 62 ASP HA . 11029 1 826 . 1 1 65 65 ASP CB C 13 39.856 0.400 . 1 . . . . 62 ASP CB . 11029 1 827 . 1 1 65 65 ASP HB2 H 1 2.827 0.020 . 2 . . . . 62 ASP HB2 . 11029 1 828 . 1 1 65 65 ASP HB3 H 1 2.609 0.020 . 2 . . . . 62 ASP HB3 . 11029 1 829 . 1 1 65 65 ASP C C 13 178.113 0.400 . 1 . . . . 62 ASP C . 11029 1 830 . 1 1 66 66 LEU N N 15 119.708 0.400 . 1 . . . . 63 LEU N . 11029 1 831 . 1 1 66 66 LEU H H 1 7.970 0.020 . 1 . . . . 63 LEU H . 11029 1 832 . 1 1 66 66 LEU CA C 13 57.549 0.400 . 1 . . . . 63 LEU CA . 11029 1 833 . 1 1 66 66 LEU HA H 1 3.838 0.020 . 1 . . . . 63 LEU HA . 11029 1 834 . 1 1 66 66 LEU CB C 13 41.235 0.400 . 1 . . . . 63 LEU CB . 11029 1 835 . 1 1 66 66 LEU HB2 H 1 1.961 0.020 . 2 . . . . 63 LEU HB2 . 11029 1 836 . 1 1 66 66 LEU HB3 H 1 0.780 0.020 . 2 . . . . 63 LEU HB3 . 11029 1 837 . 1 1 66 66 LEU CG C 13 25.745 0.400 . 1 . . . . 63 LEU CG . 11029 1 838 . 1 1 66 66 LEU HG H 1 1.711 0.020 . 1 . . . . 63 LEU HG . 11029 1 839 . 1 1 66 66 LEU HD11 H 1 0.744 0.020 . 2 . . . . 63 LEU HD1 . 11029 1 840 . 1 1 66 66 LEU HD12 H 1 0.744 0.020 . 2 . . . . 63 LEU HD1 . 11029 1 841 . 1 1 66 66 LEU HD13 H 1 0.744 0.020 . 2 . . . . 63 LEU HD1 . 11029 1 842 . 1 1 66 66 LEU HD21 H 1 0.493 0.020 . 2 . . . . 63 LEU HD2 . 11029 1 843 . 1 1 66 66 LEU HD22 H 1 0.493 0.020 . 2 . . . . 63 LEU HD2 . 11029 1 844 . 1 1 66 66 LEU HD23 H 1 0.493 0.020 . 2 . . . . 63 LEU HD2 . 11029 1 845 . 1 1 66 66 LEU CD1 C 13 25.634 0.400 . 1 . . . . 63 LEU CD1 . 11029 1 846 . 1 1 66 66 LEU CD2 C 13 22.166 0.400 . 1 . . . . 63 LEU CD2 . 11029 1 847 . 1 1 66 66 LEU C C 13 180.041 0.400 . 1 . . . . 63 LEU C . 11029 1 848 . 1 1 67 67 ILE N N 15 118.309 0.400 . 1 . . . . 64 ILE N . 11029 1 849 . 1 1 67 67 ILE H H 1 7.555 0.020 . 1 . . . . 64 ILE H . 11029 1 850 . 1 1 67 67 ILE CA C 13 63.895 0.400 . 1 . . . . 64 ILE CA . 11029 1 851 . 1 1 67 67 ILE HA H 1 3.794 0.020 . 1 . . . . 64 ILE HA . 11029 1 852 . 1 1 67 67 ILE CB C 13 37.181 0.400 . 1 . . . . 64 ILE CB . 11029 1 853 . 1 1 67 67 ILE HB H 1 1.977 0.020 . 1 . . . . 64 ILE HB . 11029 1 854 . 1 1 67 67 ILE HG21 H 1 0.962 0.020 . 1 . . . . 64 ILE HG2 . 11029 1 855 . 1 1 67 67 ILE HG22 H 1 0.962 0.020 . 1 . . . . 64 ILE HG2 . 11029 1 856 . 1 1 67 67 ILE HG23 H 1 0.962 0.020 . 1 . . . . 64 ILE HG2 . 11029 1 857 . 1 1 67 67 ILE CG2 C 13 18.350 0.400 . 1 . . . . 64 ILE CG2 . 11029 1 858 . 1 1 67 67 ILE CG1 C 13 28.419 0.400 . 1 . . . . 64 ILE CG1 . 11029 1 859 . 1 1 67 67 ILE HG12 H 1 1.771 0.020 . 2 . . . . 64 ILE HG12 . 11029 1 860 . 1 1 67 67 ILE HG13 H 1 1.107 0.020 . 2 . . . . 64 ILE HG13 . 11029 1 861 . 1 1 67 67 ILE HD11 H 1 0.835 0.020 . 1 . . . . 64 ILE HD1 . 11029 1 862 . 1 1 67 67 ILE HD12 H 1 0.835 0.020 . 1 . . . . 64 ILE HD1 . 11029 1 863 . 1 1 67 67 ILE HD13 H 1 0.835 0.020 . 1 . . . . 64 ILE HD1 . 11029 1 864 . 1 1 67 67 ILE CD1 C 13 12.891 0.400 . 1 . . . . 64 ILE CD1 . 11029 1 865 . 1 1 67 67 ILE C C 13 176.949 0.400 . 1 . . . . 64 ILE C . 11029 1 866 . 1 1 68 68 ARG N N 15 122.359 0.400 . 1 . . . . 65 ARG N . 11029 1 867 . 1 1 68 68 ARG H H 1 9.489 0.020 . 1 . . . . 65 ARG H . 11029 1 868 . 1 1 68 68 ARG CA C 13 60.488 0.400 . 1 . . . . 65 ARG CA . 11029 1 869 . 1 1 68 68 ARG HA H 1 3.692 0.020 . 1 . . . . 65 ARG HA . 11029 1 870 . 1 1 68 68 ARG CB C 13 29.897 0.400 . 1 . . . . 65 ARG CB . 11029 1 871 . 1 1 68 68 ARG HB2 H 1 1.944 0.020 . 2 . . . . 65 ARG HB2 . 11029 1 872 . 1 1 68 68 ARG HB3 H 1 1.944 0.020 . 2 . . . . 65 ARG HB3 . 11029 1 873 . 1 1 68 68 ARG HG2 H 1 1.464 0.020 . 2 . . . . 65 ARG HG2 . 11029 1 874 . 1 1 68 68 ARG HG3 H 1 1.464 0.020 . 2 . . . . 65 ARG HG3 . 11029 1 875 . 1 1 68 68 ARG CD C 13 42.205 0.400 . 1 . . . . 65 ARG CD . 11029 1 876 . 1 1 68 68 ARG HD2 H 1 3.376 0.020 . 2 . . . . 65 ARG HD2 . 11029 1 877 . 1 1 68 68 ARG HD3 H 1 3.230 0.020 . 2 . . . . 65 ARG HD3 . 11029 1 878 . 1 1 68 68 ARG NE N 15 81.051 0.400 . 1 . . . . 65 ARG NE . 11029 1 879 . 1 1 68 68 ARG HE H 1 7.037 0.020 . 1 . . . . 65 ARG HE . 11029 1 880 . 1 1 68 68 ARG C C 13 177.728 0.400 . 1 . . . . 65 ARG C . 11029 1 881 . 1 1 69 69 ASN N N 15 116.248 0.400 . 1 . . . . 66 ASN N . 11029 1 882 . 1 1 69 69 ASN H H 1 8.546 0.020 . 1 . . . . 66 ASN H . 11029 1 883 . 1 1 69 69 ASN CA C 13 55.945 0.400 . 1 . . . . 66 ASN CA . 11029 1 884 . 1 1 69 69 ASN HA H 1 4.391 0.020 . 1 . . . . 66 ASN HA . 11029 1 885 . 1 1 69 69 ASN CB C 13 37.828 0.400 . 1 . . . . 66 ASN CB . 11029 1 886 . 1 1 69 69 ASN HB2 H 1 2.709 0.020 . 2 . . . . 66 ASN HB2 . 11029 1 887 . 1 1 69 69 ASN HB3 H 1 2.855 0.020 . 2 . . . . 66 ASN HB3 . 11029 1 888 . 1 1 69 69 ASN ND2 N 15 113.536 0.400 . 1 . . . . 66 ASN ND2 . 11029 1 889 . 1 1 69 69 ASN HD21 H 1 7.577 0.020 . 2 . . . . 66 ASN HD21 . 11029 1 890 . 1 1 69 69 ASN HD22 H 1 6.984 0.020 . 2 . . . . 66 ASN HD22 . 11029 1 891 . 1 1 69 69 ASN C C 13 176.520 0.400 . 1 . . . . 66 ASN C . 11029 1 892 . 1 1 70 70 PHE N N 15 121.134 0.400 . 1 . . . . 67 PHE N . 11029 1 893 . 1 1 70 70 PHE H H 1 7.693 0.020 . 1 . . . . 67 PHE H . 11029 1 894 . 1 1 70 70 PHE CA C 13 60.170 0.400 . 1 . . . . 67 PHE CA . 11029 1 895 . 1 1 70 70 PHE HA H 1 4.535 0.020 . 1 . . . . 67 PHE HA . 11029 1 896 . 1 1 70 70 PHE CB C 13 39.838 0.400 . 1 . . . . 67 PHE CB . 11029 1 897 . 1 1 70 70 PHE HB2 H 1 3.566 0.020 . 2 . . . . 67 PHE HB2 . 11029 1 898 . 1 1 70 70 PHE HB3 H 1 3.443 0.020 . 2 . . . . 67 PHE HB3 . 11029 1 899 . 1 1 70 70 PHE CD1 C 13 130.493 0.400 . 1 . . . . 67 PHE CD1 . 11029 1 900 . 1 1 70 70 PHE HD1 H 1 7.173 0.020 . 1 . . . . 67 PHE HD1 . 11029 1 901 . 1 1 70 70 PHE HD2 H 1 7.173 0.020 . 1 . . . . 67 PHE HD2 . 11029 1 902 . 1 1 70 70 PHE C C 13 177.756 0.400 . 1 . . . . 67 PHE C . 11029 1 903 . 1 1 71 71 LEU N N 15 117.959 0.400 . 1 . . . . 68 LEU N . 11029 1 904 . 1 1 71 71 LEU H H 1 8.336 0.020 . 1 . . . . 68 LEU H . 11029 1 905 . 1 1 71 71 LEU CA C 13 57.468 0.400 . 1 . . . . 68 LEU CA . 11029 1 906 . 1 1 71 71 LEU HA H 1 3.828 0.020 . 1 . . . . 68 LEU HA . 11029 1 907 . 1 1 71 71 LEU CB C 13 42.156 0.400 . 1 . . . . 68 LEU CB . 11029 1 908 . 1 1 71 71 LEU HB2 H 1 2.020 0.020 . 2 . . . . 68 LEU HB2 . 11029 1 909 . 1 1 71 71 LEU HB3 H 1 2.020 0.020 . 2 . . . . 68 LEU HB3 . 11029 1 910 . 1 1 71 71 LEU CG C 13 26.920 0.400 . 1 . . . . 68 LEU CG . 11029 1 911 . 1 1 71 71 LEU HD11 H 1 0.937 0.020 . 2 . . . . 68 LEU HD1 . 11029 1 912 . 1 1 71 71 LEU HD12 H 1 0.937 0.020 . 2 . . . . 68 LEU HD1 . 11029 1 913 . 1 1 71 71 LEU HD13 H 1 0.937 0.020 . 2 . . . . 68 LEU HD1 . 11029 1 914 . 1 1 71 71 LEU HD21 H 1 0.920 0.020 . 2 . . . . 68 LEU HD2 . 11029 1 915 . 1 1 71 71 LEU HD22 H 1 0.920 0.020 . 2 . . . . 68 LEU HD2 . 11029 1 916 . 1 1 71 71 LEU HD23 H 1 0.920 0.020 . 2 . . . . 68 LEU HD2 . 11029 1 917 . 1 1 71 71 LEU CD1 C 13 23.383 0.400 . 1 . . . . 68 LEU CD1 . 11029 1 918 . 1 1 71 71 LEU CD2 C 13 20.981 0.400 . 1 . . . . 68 LEU CD2 . 11029 1 919 . 1 1 71 71 LEU C C 13 178.037 0.400 . 1 . . . . 68 LEU C . 11029 1 920 . 1 1 72 72 GLN N N 15 117.479 0.400 . 1 . . . . 69 GLN N . 11029 1 921 . 1 1 72 72 GLN H H 1 8.802 0.020 . 1 . . . . 69 GLN H . 11029 1 922 . 1 1 72 72 GLN CA C 13 58.632 0.400 . 1 . . . . 69 GLN CA . 11029 1 923 . 1 1 72 72 GLN HA H 1 3.906 0.020 . 1 . . . . 69 GLN HA . 11029 1 924 . 1 1 72 72 GLN CB C 13 27.010 0.400 . 1 . . . . 69 GLN CB . 11029 1 925 . 1 1 72 72 GLN HB2 H 1 2.173 0.020 . 2 . . . . 69 GLN HB2 . 11029 1 926 . 1 1 72 72 GLN HB3 H 1 2.053 0.020 . 2 . . . . 69 GLN HB3 . 11029 1 927 . 1 1 72 72 GLN CG C 13 33.641 0.400 . 1 . . . . 69 GLN CG . 11029 1 928 . 1 1 72 72 GLN HG2 H 1 2.547 0.020 . 2 . . . . 69 GLN HG2 . 11029 1 929 . 1 1 72 72 GLN HG3 H 1 2.321 0.020 . 2 . . . . 69 GLN HG3 . 11029 1 930 . 1 1 72 72 GLN NE2 N 15 110.016 0.400 . 1 . . . . 69 GLN NE2 . 11029 1 931 . 1 1 72 72 GLN HE21 H 1 7.181 0.020 . 2 . . . . 69 GLN HE21 . 11029 1 932 . 1 1 72 72 GLN HE22 H 1 6.820 0.020 . 2 . . . . 69 GLN HE22 . 11029 1 933 . 1 1 72 72 GLN C C 13 179.337 0.400 . 1 . . . . 69 GLN C . 11029 1 934 . 1 1 73 73 ASN N N 15 117.551 0.400 . 1 . . . . 70 ASN N . 11029 1 935 . 1 1 73 73 ASN H H 1 8.124 0.020 . 1 . . . . 70 ASN H . 11029 1 936 . 1 1 73 73 ASN CA C 13 54.051 0.400 . 1 . . . . 70 ASN CA . 11029 1 937 . 1 1 73 73 ASN HA H 1 4.602 0.020 . 1 . . . . 70 ASN HA . 11029 1 938 . 1 1 73 73 ASN CB C 13 37.810 0.400 . 1 . . . . 70 ASN CB . 11029 1 939 . 1 1 73 73 ASN HB2 H 1 2.822 0.020 . 2 . . . . 70 ASN HB2 . 11029 1 940 . 1 1 73 73 ASN HB3 H 1 2.822 0.020 . 2 . . . . 70 ASN HB3 . 11029 1 941 . 1 1 73 73 ASN ND2 N 15 112.052 0.400 . 1 . . . . 70 ASN ND2 . 11029 1 942 . 1 1 73 73 ASN HD21 H 1 7.704 0.020 . 2 . . . . 70 ASN HD21 . 11029 1 943 . 1 1 73 73 ASN HD22 H 1 6.991 0.020 . 2 . . . . 70 ASN HD22 . 11029 1 944 . 1 1 73 73 ASN C C 13 175.490 0.400 . 1 . . . . 70 ASN C . 11029 1 945 . 1 1 74 74 ALA N N 15 120.962 0.400 . 1 . . . . 71 ALA N . 11029 1 946 . 1 1 74 74 ALA H H 1 7.787 0.020 . 1 . . . . 71 ALA H . 11029 1 947 . 1 1 74 74 ALA CA C 13 53.143 0.400 . 1 . . . . 71 ALA CA . 11029 1 948 . 1 1 74 74 ALA HA H 1 4.193 0.020 . 1 . . . . 71 ALA HA . 11029 1 949 . 1 1 74 74 ALA HB1 H 1 1.500 0.020 . 1 . . . . 71 ALA HB . 11029 1 950 . 1 1 74 74 ALA HB2 H 1 1.500 0.020 . 1 . . . . 71 ALA HB . 11029 1 951 . 1 1 74 74 ALA HB3 H 1 1.500 0.020 . 1 . . . . 71 ALA HB . 11029 1 952 . 1 1 74 74 ALA CB C 13 19.064 0.400 . 1 . . . . 71 ALA CB . 11029 1 953 . 1 1 74 74 ALA C C 13 176.255 0.400 . 1 . . . . 71 ALA C . 11029 1 954 . 1 1 75 75 LEU N N 15 112.822 0.400 . 1 . . . . 72 LEU N . 11029 1 955 . 1 1 75 75 LEU H H 1 7.381 0.020 . 1 . . . . 72 LEU H . 11029 1 956 . 1 1 75 75 LEU CA C 13 52.987 0.400 . 1 . . . . 72 LEU CA . 11029 1 957 . 1 1 75 75 LEU HA H 1 4.305 0.020 . 1 . . . . 72 LEU HA . 11029 1 958 . 1 1 75 75 LEU CB C 13 41.490 0.400 . 1 . . . . 72 LEU CB . 11029 1 959 . 1 1 75 75 LEU HB2 H 1 1.904 0.020 . 2 . . . . 72 LEU HB2 . 11029 1 960 . 1 1 75 75 LEU HB3 H 1 1.904 0.020 . 2 . . . . 72 LEU HB3 . 11029 1 961 . 1 1 75 75 LEU CG C 13 26.167 0.400 . 1 . . . . 72 LEU CG . 11029 1 962 . 1 1 75 75 LEU HG H 1 1.586 0.020 . 1 . . . . 72 LEU HG . 11029 1 963 . 1 1 75 75 LEU HD11 H 1 0.999 0.020 . 2 . . . . 72 LEU HD1 . 11029 1 964 . 1 1 75 75 LEU HD12 H 1 0.999 0.020 . 2 . . . . 72 LEU HD1 . 11029 1 965 . 1 1 75 75 LEU HD13 H 1 0.999 0.020 . 2 . . . . 72 LEU HD1 . 11029 1 966 . 1 1 75 75 LEU HD21 H 1 0.734 0.020 . 2 . . . . 72 LEU HD2 . 11029 1 967 . 1 1 75 75 LEU HD22 H 1 0.734 0.020 . 2 . . . . 72 LEU HD2 . 11029 1 968 . 1 1 75 75 LEU HD23 H 1 0.734 0.020 . 2 . . . . 72 LEU HD2 . 11029 1 969 . 1 1 75 75 LEU CD1 C 13 25.272 0.400 . 1 . . . . 72 LEU CD1 . 11029 1 970 . 1 1 75 75 LEU CD2 C 13 22.620 0.400 . 1 . . . . 72 LEU CD2 . 11029 1 971 . 1 1 75 75 LEU C C 13 175.867 0.400 . 1 . . . . 72 LEU C . 11029 1 972 . 1 1 76 76 VAL N N 15 120.671 0.400 . 1 . . . . 73 VAL N . 11029 1 973 . 1 1 76 76 VAL H H 1 6.797 0.020 . 1 . . . . 73 VAL H . 11029 1 974 . 1 1 76 76 VAL CA C 13 62.994 0.400 . 1 . . . . 73 VAL CA . 11029 1 975 . 1 1 76 76 VAL HA H 1 3.707 0.020 . 1 . . . . 73 VAL HA . 11029 1 976 . 1 1 76 76 VAL CB C 13 32.014 0.400 . 1 . . . . 73 VAL CB . 11029 1 977 . 1 1 76 76 VAL HB H 1 1.838 0.020 . 1 . . . . 73 VAL HB . 11029 1 978 . 1 1 76 76 VAL HG11 H 1 0.921 0.020 . 2 . . . . 73 VAL HG1 . 11029 1 979 . 1 1 76 76 VAL HG12 H 1 0.921 0.020 . 2 . . . . 73 VAL HG1 . 11029 1 980 . 1 1 76 76 VAL HG13 H 1 0.921 0.020 . 2 . . . . 73 VAL HG1 . 11029 1 981 . 1 1 76 76 VAL HG21 H 1 1.041 0.020 . 2 . . . . 73 VAL HG2 . 11029 1 982 . 1 1 76 76 VAL HG22 H 1 1.041 0.020 . 2 . . . . 73 VAL HG2 . 11029 1 983 . 1 1 76 76 VAL HG23 H 1 1.041 0.020 . 2 . . . . 73 VAL HG2 . 11029 1 984 . 1 1 76 76 VAL CG1 C 13 20.655 0.400 . 1 . . . . 73 VAL CG1 . 11029 1 985 . 1 1 76 76 VAL CG2 C 13 22.140 0.400 . 1 . . . . 73 VAL CG2 . 11029 1 986 . 1 1 76 76 VAL C C 13 176.144 0.400 . 1 . . . . 73 VAL C . 11029 1 987 . 1 1 77 77 VAL N N 15 128.303 0.400 . 1 . . . . 74 VAL N . 11029 1 988 . 1 1 77 77 VAL H H 1 8.407 0.020 . 1 . . . . 74 VAL H . 11029 1 989 . 1 1 77 77 VAL CA C 13 64.673 0.400 . 1 . . . . 74 VAL CA . 11029 1 990 . 1 1 77 77 VAL HA H 1 3.651 0.020 . 1 . . . . 74 VAL HA . 11029 1 991 . 1 1 77 77 VAL CB C 13 30.789 0.400 . 1 . . . . 74 VAL CB . 11029 1 992 . 1 1 77 77 VAL HB H 1 1.985 0.020 . 1 . . . . 74 VAL HB . 11029 1 993 . 1 1 77 77 VAL HG11 H 1 0.940 0.020 . 2 . . . . 74 VAL HG1 . 11029 1 994 . 1 1 77 77 VAL HG12 H 1 0.940 0.020 . 2 . . . . 74 VAL HG1 . 11029 1 995 . 1 1 77 77 VAL HG13 H 1 0.940 0.020 . 2 . . . . 74 VAL HG1 . 11029 1 996 . 1 1 77 77 VAL HG21 H 1 1.069 0.020 . 2 . . . . 74 VAL HG2 . 11029 1 997 . 1 1 77 77 VAL HG22 H 1 1.069 0.020 . 2 . . . . 74 VAL HG2 . 11029 1 998 . 1 1 77 77 VAL HG23 H 1 1.069 0.020 . 2 . . . . 74 VAL HG2 . 11029 1 999 . 1 1 77 77 VAL CG1 C 13 20.382 0.400 . 1 . . . . 74 VAL CG1 . 11029 1 1000 . 1 1 77 77 VAL CG2 C 13 21.635 0.400 . 1 . . . . 74 VAL CG2 . 11029 1 1001 . 1 1 77 77 VAL C C 13 176.911 0.400 . 1 . . . . 74 VAL C . 11029 1 1002 . 1 1 78 78 GLY N N 15 116.087 0.400 . 1 . . . . 75 GLY N . 11029 1 1003 . 1 1 78 78 GLY H H 1 8.827 0.020 . 1 . . . . 75 GLY H . 11029 1 1004 . 1 1 78 78 GLY CA C 13 45.004 0.400 . 1 . . . . 75 GLY CA . 11029 1 1005 . 1 1 78 78 GLY HA2 H 1 4.236 0.020 . 2 . . . . 75 GLY HA2 . 11029 1 1006 . 1 1 78 78 GLY HA3 H 1 3.738 0.020 . 2 . . . . 75 GLY HA3 . 11029 1 1007 . 1 1 78 78 GLY C C 13 173.779 0.400 . 1 . . . . 75 GLY C . 11029 1 1008 . 1 1 79 79 LYS N N 15 121.612 0.400 . 1 . . . . 76 LYS N . 11029 1 1009 . 1 1 79 79 LYS H H 1 8.140 0.020 . 1 . . . . 76 LYS H . 11029 1 1010 . 1 1 79 79 LYS CA C 13 54.078 0.400 . 1 . . . . 76 LYS CA . 11029 1 1011 . 1 1 79 79 LYS HA H 1 4.588 0.020 . 1 . . . . 76 LYS HA . 11029 1 1012 . 1 1 79 79 LYS CB C 13 32.708 0.400 . 1 . . . . 76 LYS CB . 11029 1 1013 . 1 1 79 79 LYS HB2 H 1 1.931 0.020 . 2 . . . . 76 LYS HB2 . 11029 1 1014 . 1 1 79 79 LYS HB3 H 1 1.379 0.020 . 2 . . . . 76 LYS HB3 . 11029 1 1015 . 1 1 79 79 LYS CG C 13 24.330 0.400 . 1 . . . . 76 LYS CG . 11029 1 1016 . 1 1 79 79 LYS HG2 H 1 1.311 0.020 . 2 . . . . 76 LYS HG2 . 11029 1 1017 . 1 1 79 79 LYS HG3 H 1 1.278 0.020 . 2 . . . . 76 LYS HG3 . 11029 1 1018 . 1 1 79 79 LYS CD C 13 28.688 0.400 . 1 . . . . 76 LYS CD . 11029 1 1019 . 1 1 79 79 LYS HD2 H 1 1.643 0.020 . 2 . . . . 76 LYS HD2 . 11029 1 1020 . 1 1 79 79 LYS HD3 H 1 1.643 0.020 . 2 . . . . 76 LYS HD3 . 11029 1 1021 . 1 1 79 79 LYS CE C 13 41.493 0.400 . 1 . . . . 76 LYS CE . 11029 1 1022 . 1 1 79 79 LYS HE2 H 1 2.921 0.020 . 2 . . . . 76 LYS HE2 . 11029 1 1023 . 1 1 79 79 LYS HE3 H 1 2.921 0.020 . 2 . . . . 76 LYS HE3 . 11029 1 1024 . 1 1 79 79 LYS C C 13 175.177 0.400 . 1 . . . . 76 LYS C . 11029 1 1025 . 1 1 80 80 SER N N 15 117.166 0.400 . 1 . . . . 77 SER N . 11029 1 1026 . 1 1 80 80 SER H H 1 8.241 0.020 . 1 . . . . 77 SER H . 11029 1 1027 . 1 1 80 80 SER CA C 13 59.173 0.400 . 1 . . . . 77 SER CA . 11029 1 1028 . 1 1 80 80 SER HA H 1 4.356 0.020 . 1 . . . . 77 SER HA . 11029 1 1029 . 1 1 80 80 SER CB C 13 63.288 0.400 . 1 . . . . 77 SER CB . 11029 1 1030 . 1 1 80 80 SER HB2 H 1 3.739 0.020 . 2 . . . . 77 SER HB2 . 11029 1 1031 . 1 1 80 80 SER HB3 H 1 3.739 0.020 . 2 . . . . 77 SER HB3 . 11029 1 1032 . 1 1 80 80 SER C C 13 174.793 0.400 . 1 . . . . 77 SER C . 11029 1 1033 . 1 1 81 81 ASP N N 15 118.775 0.400 . 1 . . . . 78 ASP N . 11029 1 1034 . 1 1 81 81 ASP H H 1 8.506 0.020 . 1 . . . . 78 ASP H . 11029 1 1035 . 1 1 81 81 ASP CA C 13 50.069 0.400 . 1 . . . . 78 ASP CA . 11029 1 1036 . 1 1 81 81 ASP HA H 1 5.423 0.020 . 1 . . . . 78 ASP HA . 11029 1 1037 . 1 1 81 81 ASP CB C 13 41.498 0.400 . 1 . . . . 78 ASP CB . 11029 1 1038 . 1 1 81 81 ASP HB2 H 1 2.898 0.020 . 2 . . . . 78 ASP HB2 . 11029 1 1039 . 1 1 81 81 ASP HB3 H 1 2.671 0.020 . 2 . . . . 78 ASP HB3 . 11029 1 1040 . 1 1 82 82 PRO CD C 13 49.750 0.400 . 1 . . . . 79 PRO CD . 11029 1 1041 . 1 1 82 82 PRO CA C 13 63.656 0.400 . 1 . . . . 79 PRO CA . 11029 1 1042 . 1 1 82 82 PRO HA H 1 4.271 0.020 . 1 . . . . 79 PRO HA . 11029 1 1043 . 1 1 82 82 PRO CB C 13 31.303 0.400 . 1 . . . . 79 PRO CB . 11029 1 1044 . 1 1 82 82 PRO HB2 H 1 2.161 0.020 . 2 . . . . 79 PRO HB2 . 11029 1 1045 . 1 1 82 82 PRO HB3 H 1 1.460 0.020 . 2 . . . . 79 PRO HB3 . 11029 1 1046 . 1 1 82 82 PRO CG C 13 26.272 0.400 . 1 . . . . 79 PRO CG . 11029 1 1047 . 1 1 82 82 PRO HG2 H 1 1.846 0.020 . 2 . . . . 79 PRO HG2 . 11029 1 1048 . 1 1 82 82 PRO HG3 H 1 1.327 0.020 . 2 . . . . 79 PRO HG3 . 11029 1 1049 . 1 1 82 82 PRO HD2 H 1 3.822 0.020 . 2 . . . . 79 PRO HD2 . 11029 1 1050 . 1 1 82 82 PRO HD3 H 1 3.501 0.020 . 2 . . . . 79 PRO HD3 . 11029 1 1051 . 1 1 82 82 PRO C C 13 178.645 0.400 . 1 . . . . 79 PRO C . 11029 1 1052 . 1 1 83 83 TYR N N 15 117.360 0.400 . 1 . . . . 80 TYR N . 11029 1 1053 . 1 1 83 83 TYR H H 1 7.561 0.020 . 1 . . . . 80 TYR H . 11029 1 1054 . 1 1 83 83 TYR CA C 13 59.635 0.400 . 1 . . . . 80 TYR CA . 11029 1 1055 . 1 1 83 83 TYR HA H 1 4.163 0.020 . 1 . . . . 80 TYR HA . 11029 1 1056 . 1 1 83 83 TYR CB C 13 35.602 0.400 . 1 . . . . 80 TYR CB . 11029 1 1057 . 1 1 83 83 TYR HB2 H 1 2.762 0.020 . 2 . . . . 80 TYR HB2 . 11029 1 1058 . 1 1 83 83 TYR HB3 H 1 2.654 0.020 . 2 . . . . 80 TYR HB3 . 11029 1 1059 . 1 1 83 83 TYR CD1 C 13 132.043 0.400 . 1 . . . . 80 TYR CD1 . 11029 1 1060 . 1 1 83 83 TYR HD1 H 1 6.943 0.020 . 1 . . . . 80 TYR HD1 . 11029 1 1061 . 1 1 83 83 TYR CE1 C 13 118.258 0.400 . 1 . . . . 80 TYR CE1 . 11029 1 1062 . 1 1 83 83 TYR HE1 H 1 6.783 0.020 . 1 . . . . 80 TYR HE1 . 11029 1 1063 . 1 1 83 83 TYR HE2 H 1 6.783 0.020 . 1 . . . . 80 TYR HE2 . 11029 1 1064 . 1 1 83 83 TYR HD2 H 1 6.943 0.020 . 1 . . . . 80 TYR HD2 . 11029 1 1065 . 1 1 83 83 TYR C C 13 176.904 0.400 . 1 . . . . 80 TYR C . 11029 1 1066 . 1 1 84 84 ARG N N 15 120.833 0.400 . 1 . . . . 81 ARG N . 11029 1 1067 . 1 1 84 84 ARG H H 1 7.898 0.020 . 1 . . . . 81 ARG H . 11029 1 1068 . 1 1 84 84 ARG CA C 13 58.332 0.400 . 1 . . . . 81 ARG CA . 11029 1 1069 . 1 1 84 84 ARG HA H 1 4.615 0.020 . 1 . . . . 81 ARG HA . 11029 1 1070 . 1 1 84 84 ARG CB C 13 28.242 0.400 . 1 . . . . 81 ARG CB . 11029 1 1071 . 1 1 84 84 ARG C C 13 176.940 0.400 . 1 . . . . 81 ARG C . 11029 1 1072 . 1 1 85 85 VAL N N 15 117.345 0.400 . 1 . . . . 82 VAL N . 11029 1 1073 . 1 1 85 85 VAL H H 1 6.971 0.020 . 1 . . . . 82 VAL H . 11029 1 1074 . 1 1 85 85 VAL CA C 13 65.663 0.400 . 1 . . . . 82 VAL CA . 11029 1 1075 . 1 1 85 85 VAL HA H 1 3.417 0.020 . 1 . . . . 82 VAL HA . 11029 1 1076 . 1 1 85 85 VAL CB C 13 31.165 0.400 . 1 . . . . 82 VAL CB . 11029 1 1077 . 1 1 85 85 VAL HB H 1 2.151 0.020 . 1 . . . . 82 VAL HB . 11029 1 1078 . 1 1 85 85 VAL HG11 H 1 0.951 0.020 . 2 . . . . 82 VAL HG1 . 11029 1 1079 . 1 1 85 85 VAL HG12 H 1 0.951 0.020 . 2 . . . . 82 VAL HG1 . 11029 1 1080 . 1 1 85 85 VAL HG13 H 1 0.951 0.020 . 2 . . . . 82 VAL HG1 . 11029 1 1081 . 1 1 85 85 VAL HG21 H 1 0.951 0.020 . 2 . . . . 82 VAL HG2 . 11029 1 1082 . 1 1 85 85 VAL HG22 H 1 0.951 0.020 . 2 . . . . 82 VAL HG2 . 11029 1 1083 . 1 1 85 85 VAL HG23 H 1 0.951 0.020 . 2 . . . . 82 VAL HG2 . 11029 1 1084 . 1 1 85 85 VAL CG1 C 13 23.115 0.400 . 1 . . . . 82 VAL CG1 . 11029 1 1085 . 1 1 85 85 VAL C C 13 176.601 0.400 . 1 . . . . 82 VAL C . 11029 1 1086 . 1 1 86 86 GLN N N 15 117.137 0.400 . 1 . . . . 83 GLN N . 11029 1 1087 . 1 1 86 86 GLN H H 1 7.536 0.020 . 1 . . . . 83 GLN H . 11029 1 1088 . 1 1 86 86 GLN CA C 13 58.230 0.400 . 1 . . . . 83 GLN CA . 11029 1 1089 . 1 1 86 86 GLN HA H 1 3.953 0.020 . 1 . . . . 83 GLN HA . 11029 1 1090 . 1 1 86 86 GLN CB C 13 28.240 0.400 . 1 . . . . 83 GLN CB . 11029 1 1091 . 1 1 86 86 GLN HB2 H 1 2.129 0.020 . 2 . . . . 83 GLN HB2 . 11029 1 1092 . 1 1 86 86 GLN HB3 H 1 2.129 0.020 . 2 . . . . 83 GLN HB3 . 11029 1 1093 . 1 1 86 86 GLN CG C 13 33.010 0.400 . 1 . . . . 83 GLN CG . 11029 1 1094 . 1 1 86 86 GLN HG2 H 1 2.491 0.020 . 2 . . . . 83 GLN HG2 . 11029 1 1095 . 1 1 86 86 GLN HG3 H 1 2.383 0.020 . 2 . . . . 83 GLN HG3 . 11029 1 1096 . 1 1 86 86 GLN NE2 N 15 111.142 0.400 . 1 . . . . 83 GLN NE2 . 11029 1 1097 . 1 1 86 86 GLN HE21 H 1 7.504 0.020 . 2 . . . . 83 GLN HE21 . 11029 1 1098 . 1 1 86 86 GLN HE22 H 1 6.821 0.020 . 2 . . . . 83 GLN HE22 . 11029 1 1099 . 1 1 86 86 GLN C C 13 178.602 0.400 . 1 . . . . 83 GLN C . 11029 1 1100 . 1 1 87 87 ALA N N 15 121.452 0.400 . 1 . . . . 84 ALA N . 11029 1 1101 . 1 1 87 87 ALA H H 1 8.843 0.020 . 1 . . . . 84 ALA H . 11029 1 1102 . 1 1 87 87 ALA CA C 13 54.905 0.400 . 1 . . . . 84 ALA CA . 11029 1 1103 . 1 1 87 87 ALA HA H 1 4.048 0.020 . 1 . . . . 84 ALA HA . 11029 1 1104 . 1 1 87 87 ALA HB1 H 1 1.641 0.020 . 1 . . . . 84 ALA HB . 11029 1 1105 . 1 1 87 87 ALA HB2 H 1 1.641 0.020 . 1 . . . . 84 ALA HB . 11029 1 1106 . 1 1 87 87 ALA HB3 H 1 1.641 0.020 . 1 . . . . 84 ALA HB . 11029 1 1107 . 1 1 87 87 ALA CB C 13 18.088 0.400 . 1 . . . . 84 ALA CB . 11029 1 1108 . 1 1 87 87 ALA C C 13 178.498 0.400 . 1 . . . . 84 ALA C . 11029 1 1109 . 1 1 88 88 VAL N N 15 117.570 0.400 . 1 . . . . 85 VAL N . 11029 1 1110 . 1 1 88 88 VAL H H 1 8.515 0.020 . 1 . . . . 85 VAL H . 11029 1 1111 . 1 1 88 88 VAL CA C 13 67.315 0.400 . 1 . . . . 85 VAL CA . 11029 1 1112 . 1 1 88 88 VAL HA H 1 3.764 0.020 . 1 . . . . 85 VAL HA . 11029 1 1113 . 1 1 88 88 VAL CB C 13 30.610 0.400 . 1 . . . . 85 VAL CB . 11029 1 1114 . 1 1 88 88 VAL HB H 1 2.268 0.020 . 1 . . . . 85 VAL HB . 11029 1 1115 . 1 1 88 88 VAL HG11 H 1 0.952 0.020 . 2 . . . . 85 VAL HG1 . 11029 1 1116 . 1 1 88 88 VAL HG12 H 1 0.952 0.020 . 2 . . . . 85 VAL HG1 . 11029 1 1117 . 1 1 88 88 VAL HG13 H 1 0.952 0.020 . 2 . . . . 85 VAL HG1 . 11029 1 1118 . 1 1 88 88 VAL HG21 H 1 1.323 0.020 . 2 . . . . 85 VAL HG2 . 11029 1 1119 . 1 1 88 88 VAL HG22 H 1 1.323 0.020 . 2 . . . . 85 VAL HG2 . 11029 1 1120 . 1 1 88 88 VAL HG23 H 1 1.323 0.020 . 2 . . . . 85 VAL HG2 . 11029 1 1121 . 1 1 88 88 VAL CG1 C 13 21.079 0.400 . 1 . . . . 85 VAL CG1 . 11029 1 1122 . 1 1 88 88 VAL CG2 C 13 23.331 0.400 . 1 . . . . 85 VAL CG2 . 11029 1 1123 . 1 1 88 88 VAL C C 13 177.138 0.400 . 1 . . . . 85 VAL C . 11029 1 1124 . 1 1 89 89 LYS N N 15 120.005 0.400 . 1 . . . . 86 LYS N . 11029 1 1125 . 1 1 89 89 LYS H H 1 8.612 0.020 . 1 . . . . 86 LYS H . 11029 1 1126 . 1 1 89 89 LYS CA C 13 60.851 0.400 . 1 . . . . 86 LYS CA . 11029 1 1127 . 1 1 89 89 LYS HA H 1 3.827 0.020 . 1 . . . . 86 LYS HA . 11029 1 1128 . 1 1 89 89 LYS CB C 13 31.974 0.400 . 1 . . . . 86 LYS CB . 11029 1 1129 . 1 1 89 89 LYS HB2 H 1 2.065 0.020 . 2 . . . . 86 LYS HB2 . 11029 1 1130 . 1 1 89 89 LYS HB3 H 1 1.894 0.020 . 2 . . . . 86 LYS HB3 . 11029 1 1131 . 1 1 89 89 LYS CG C 13 26.065 0.400 . 1 . . . . 86 LYS CG . 11029 1 1132 . 1 1 89 89 LYS HG2 H 1 1.658 0.020 . 2 . . . . 86 LYS HG2 . 11029 1 1133 . 1 1 89 89 LYS HG3 H 1 1.335 0.020 . 2 . . . . 86 LYS HG3 . 11029 1 1134 . 1 1 89 89 LYS CD C 13 29.348 0.400 . 1 . . . . 86 LYS CD . 11029 1 1135 . 1 1 89 89 LYS HD2 H 1 1.712 0.020 . 2 . . . . 86 LYS HD2 . 11029 1 1136 . 1 1 89 89 LYS HD3 H 1 1.585 0.020 . 2 . . . . 86 LYS HD3 . 11029 1 1137 . 1 1 89 89 LYS CE C 13 41.068 0.400 . 1 . . . . 86 LYS CE . 11029 1 1138 . 1 1 89 89 LYS HE2 H 1 2.839 0.020 . 2 . . . . 86 LYS HE2 . 11029 1 1139 . 1 1 89 89 LYS HE3 H 1 2.839 0.020 . 2 . . . . 86 LYS HE3 . 11029 1 1140 . 1 1 89 89 LYS C C 13 178.096 0.400 . 1 . . . . 86 LYS C . 11029 1 1141 . 1 1 90 90 PHE N N 15 119.839 0.400 . 1 . . . . 87 PHE N . 11029 1 1142 . 1 1 90 90 PHE H H 1 8.184 0.020 . 1 . . . . 87 PHE H . 11029 1 1143 . 1 1 90 90 PHE CA C 13 60.604 0.400 . 1 . . . . 87 PHE CA . 11029 1 1144 . 1 1 90 90 PHE HA H 1 4.302 0.020 . 1 . . . . 87 PHE HA . 11029 1 1145 . 1 1 90 90 PHE CB C 13 38.349 0.400 . 1 . . . . 87 PHE CB . 11029 1 1146 . 1 1 90 90 PHE HB2 H 1 3.230 0.020 . 2 . . . . 87 PHE HB2 . 11029 1 1147 . 1 1 90 90 PHE HB3 H 1 3.582 0.020 . 2 . . . . 87 PHE HB3 . 11029 1 1148 . 1 1 90 90 PHE CD1 C 13 131.811 0.400 . 1 . . . . 87 PHE CD1 . 11029 1 1149 . 1 1 90 90 PHE HD1 H 1 7.172 0.020 . 1 . . . . 87 PHE HD1 . 11029 1 1150 . 1 1 90 90 PHE CE1 C 13 130.592 0.400 . 1 . . . . 87 PHE CE1 . 11029 1 1151 . 1 1 90 90 PHE HE1 H 1 7.280 0.020 . 1 . . . . 87 PHE HE1 . 11029 1 1152 . 1 1 90 90 PHE HE2 H 1 7.280 0.020 . 1 . . . . 87 PHE HE2 . 11029 1 1153 . 1 1 90 90 PHE HD2 H 1 7.172 0.020 . 1 . . . . 87 PHE HD2 . 11029 1 1154 . 1 1 90 90 PHE C C 13 177.748 0.400 . 1 . . . . 87 PHE C . 11029 1 1155 . 1 1 91 91 LEU N N 15 118.977 0.400 . 1 . . . . 88 LEU N . 11029 1 1156 . 1 1 91 91 LEU H H 1 8.604 0.020 . 1 . . . . 88 LEU H . 11029 1 1157 . 1 1 91 91 LEU CA C 13 58.058 0.400 . 1 . . . . 88 LEU CA . 11029 1 1158 . 1 1 91 91 LEU HA H 1 3.975 0.020 . 1 . . . . 88 LEU HA . 11029 1 1159 . 1 1 91 91 LEU CB C 13 41.114 0.400 . 1 . . . . 88 LEU CB . 11029 1 1160 . 1 1 91 91 LEU CG C 13 25.692 0.400 . 1 . . . . 88 LEU CG . 11029 1 1161 . 1 1 91 91 LEU HG H 1 2.414 0.020 . 1 . . . . 88 LEU HG . 11029 1 1162 . 1 1 91 91 LEU HD11 H 1 1.098 0.020 . 2 . . . . 88 LEU HD1 . 11029 1 1163 . 1 1 91 91 LEU HD12 H 1 1.098 0.020 . 2 . . . . 88 LEU HD1 . 11029 1 1164 . 1 1 91 91 LEU HD13 H 1 1.098 0.020 . 2 . . . . 88 LEU HD1 . 11029 1 1165 . 1 1 91 91 LEU HD21 H 1 1.098 0.020 . 2 . . . . 88 LEU HD2 . 11029 1 1166 . 1 1 91 91 LEU HD22 H 1 1.098 0.020 . 2 . . . . 88 LEU HD2 . 11029 1 1167 . 1 1 91 91 LEU HD23 H 1 1.098 0.020 . 2 . . . . 88 LEU HD2 . 11029 1 1168 . 1 1 91 91 LEU CD1 C 13 23.190 0.400 . 1 . . . . 88 LEU CD1 . 11029 1 1169 . 1 1 91 91 LEU C C 13 178.106 0.400 . 1 . . . . 88 LEU C . 11029 1 1170 . 1 1 92 92 ILE N N 15 118.378 0.400 . 1 . . . . 89 ILE N . 11029 1 1171 . 1 1 92 92 ILE H H 1 8.420 0.020 . 1 . . . . 89 ILE H . 11029 1 1172 . 1 1 92 92 ILE CA C 13 65.761 0.400 . 1 . . . . 89 ILE CA . 11029 1 1173 . 1 1 92 92 ILE HA H 1 3.542 0.020 . 1 . . . . 89 ILE HA . 11029 1 1174 . 1 1 92 92 ILE CB C 13 37.372 0.400 . 1 . . . . 89 ILE CB . 11029 1 1175 . 1 1 92 92 ILE HB H 1 2.052 0.020 . 1 . . . . 89 ILE HB . 11029 1 1176 . 1 1 92 92 ILE HG21 H 1 0.908 0.020 . 1 . . . . 89 ILE HG2 . 11029 1 1177 . 1 1 92 92 ILE HG22 H 1 0.908 0.020 . 1 . . . . 89 ILE HG2 . 11029 1 1178 . 1 1 92 92 ILE HG23 H 1 0.908 0.020 . 1 . . . . 89 ILE HG2 . 11029 1 1179 . 1 1 92 92 ILE CG2 C 13 17.149 0.400 . 1 . . . . 89 ILE CG2 . 11029 1 1180 . 1 1 92 92 ILE HD11 H 1 0.792 0.020 . 1 . . . . 89 ILE HD1 . 11029 1 1181 . 1 1 92 92 ILE HD12 H 1 0.792 0.020 . 1 . . . . 89 ILE HD1 . 11029 1 1182 . 1 1 92 92 ILE HD13 H 1 0.792 0.020 . 1 . . . . 89 ILE HD1 . 11029 1 1183 . 1 1 92 92 ILE CD1 C 13 13.089 0.400 . 1 . . . . 89 ILE CD1 . 11029 1 1184 . 1 1 92 92 ILE C C 13 176.952 0.400 . 1 . . . . 89 ILE C . 11029 1 1185 . 1 1 93 93 GLU N N 15 120.262 0.400 . 1 . . . . 90 GLU N . 11029 1 1186 . 1 1 93 93 GLU H H 1 8.133 0.020 . 1 . . . . 90 GLU H . 11029 1 1187 . 1 1 93 93 GLU CA C 13 58.766 0.400 . 1 . . . . 90 GLU CA . 11029 1 1188 . 1 1 93 93 GLU HA H 1 4.038 0.020 . 1 . . . . 90 GLU HA . 11029 1 1189 . 1 1 93 93 GLU CB C 13 28.466 0.400 . 1 . . . . 90 GLU CB . 11029 1 1190 . 1 1 93 93 GLU HB2 H 1 2.100 0.020 . 2 . . . . 90 GLU HB2 . 11029 1 1191 . 1 1 93 93 GLU HB3 H 1 2.100 0.020 . 2 . . . . 90 GLU HB3 . 11029 1 1192 . 1 1 93 93 GLU CG C 13 35.766 0.400 . 1 . . . . 90 GLU CG . 11029 1 1193 . 1 1 93 93 GLU HG2 H 1 2.300 0.020 . 2 . . . . 90 GLU HG2 . 11029 1 1194 . 1 1 93 93 GLU HG3 H 1 2.300 0.020 . 2 . . . . 90 GLU HG3 . 11029 1 1195 . 1 1 93 93 GLU C C 13 178.689 0.400 . 1 . . . . 90 GLU C . 11029 1 1196 . 1 1 94 94 ARG N N 15 117.630 0.400 . 1 . . . . 91 ARG N . 11029 1 1197 . 1 1 94 94 ARG H H 1 7.952 0.020 . 1 . . . . 91 ARG H . 11029 1 1198 . 1 1 94 94 ARG CA C 13 58.343 0.400 . 1 . . . . 91 ARG CA . 11029 1 1199 . 1 1 94 94 ARG HA H 1 3.941 0.020 . 1 . . . . 91 ARG HA . 11029 1 1200 . 1 1 94 94 ARG CB C 13 29.048 0.400 . 1 . . . . 91 ARG CB . 11029 1 1201 . 1 1 94 94 ARG HB2 H 1 1.945 0.020 . 2 . . . . 91 ARG HB2 . 11029 1 1202 . 1 1 94 94 ARG HB3 H 1 1.837 0.020 . 2 . . . . 91 ARG HB3 . 11029 1 1203 . 1 1 94 94 ARG CG C 13 26.077 0.400 . 1 . . . . 91 ARG CG . 11029 1 1204 . 1 1 94 94 ARG HG2 H 1 1.747 0.020 . 2 . . . . 91 ARG HG2 . 11029 1 1205 . 1 1 94 94 ARG HG3 H 1 1.747 0.020 . 2 . . . . 91 ARG HG3 . 11029 1 1206 . 1 1 94 94 ARG CD C 13 41.699 0.400 . 1 . . . . 91 ARG CD . 11029 1 1207 . 1 1 94 94 ARG HD2 H 1 2.926 0.020 . 2 . . . . 91 ARG HD2 . 11029 1 1208 . 1 1 94 94 ARG HD3 H 1 2.926 0.020 . 2 . . . . 91 ARG HD3 . 11029 1 1209 . 1 1 94 94 ARG NE N 15 82.952 0.400 . 1 . . . . 91 ARG NE . 11029 1 1210 . 1 1 94 94 ARG HE H 1 7.325 0.020 . 1 . . . . 91 ARG HE . 11029 1 1211 . 1 1 94 94 ARG HH11 H 1 6.544 0.020 . 2 . . . . 91 ARG HH11 . 11029 1 1212 . 1 1 94 94 ARG HH12 H 1 6.544 0.020 . 2 . . . . 91 ARG HH12 . 11029 1 1213 . 1 1 94 94 ARG HH21 H 1 6.544 0.020 . 2 . . . . 91 ARG HH21 . 11029 1 1214 . 1 1 94 94 ARG HH22 H 1 6.544 0.020 . 2 . . . . 91 ARG HH22 . 11029 1 1215 . 1 1 94 94 ARG C C 13 178.875 0.400 . 1 . . . . 91 ARG C . 11029 1 1216 . 1 1 95 95 ILE N N 15 120.056 0.400 . 1 . . . . 92 ILE N . 11029 1 1217 . 1 1 95 95 ILE H H 1 8.225 0.020 . 1 . . . . 92 ILE H . 11029 1 1218 . 1 1 95 95 ILE CA C 13 63.296 0.400 . 1 . . . . 92 ILE CA . 11029 1 1219 . 1 1 95 95 ILE HA H 1 3.972 0.020 . 1 . . . . 92 ILE HA . 11029 1 1220 . 1 1 95 95 ILE CB C 13 36.921 0.400 . 1 . . . . 92 ILE CB . 11029 1 1221 . 1 1 95 95 ILE HB H 1 2.238 0.020 . 1 . . . . 92 ILE HB . 11029 1 1222 . 1 1 95 95 ILE HG21 H 1 1.023 0.020 . 1 . . . . 92 ILE HG2 . 11029 1 1223 . 1 1 95 95 ILE HG22 H 1 1.023 0.020 . 1 . . . . 92 ILE HG2 . 11029 1 1224 . 1 1 95 95 ILE HG23 H 1 1.023 0.020 . 1 . . . . 92 ILE HG2 . 11029 1 1225 . 1 1 95 95 ILE CG2 C 13 17.507 0.400 . 1 . . . . 92 ILE CG2 . 11029 1 1226 . 1 1 95 95 ILE CG1 C 13 29.252 0.400 . 1 . . . . 92 ILE CG1 . 11029 1 1227 . 1 1 95 95 ILE HG12 H 1 1.834 0.020 . 2 . . . . 92 ILE HG12 . 11029 1 1228 . 1 1 95 95 ILE HG13 H 1 1.506 0.020 . 2 . . . . 92 ILE HG13 . 11029 1 1229 . 1 1 95 95 ILE HD11 H 1 1.007 0.020 . 1 . . . . 92 ILE HD1 . 11029 1 1230 . 1 1 95 95 ILE HD12 H 1 1.007 0.020 . 1 . . . . 92 ILE HD1 . 11029 1 1231 . 1 1 95 95 ILE HD13 H 1 1.007 0.020 . 1 . . . . 92 ILE HD1 . 11029 1 1232 . 1 1 95 95 ILE CD1 C 13 13.821 0.400 . 1 . . . . 92 ILE CD1 . 11029 1 1233 . 1 1 95 95 ILE C C 13 180.242 0.400 . 1 . . . . 92 ILE C . 11029 1 1234 . 1 1 96 96 ARG N N 15 121.023 0.400 . 1 . . . . 93 ARG N . 11029 1 1235 . 1 1 96 96 ARG H H 1 8.259 0.020 . 1 . . . . 93 ARG H . 11029 1 1236 . 1 1 96 96 ARG CA C 13 58.401 0.400 . 1 . . . . 93 ARG CA . 11029 1 1237 . 1 1 96 96 ARG HA H 1 4.068 0.020 . 1 . . . . 93 ARG HA . 11029 1 1238 . 1 1 96 96 ARG CB C 13 29.474 0.400 . 1 . . . . 93 ARG CB . 11029 1 1239 . 1 1 96 96 ARG HB2 H 1 1.943 0.020 . 2 . . . . 93 ARG HB2 . 11029 1 1240 . 1 1 96 96 ARG HB3 H 1 1.943 0.020 . 2 . . . . 93 ARG HB3 . 11029 1 1241 . 1 1 96 96 ARG CG C 13 27.116 0.400 . 1 . . . . 93 ARG CG . 11029 1 1242 . 1 1 96 96 ARG HG2 H 1 1.620 0.020 . 2 . . . . 93 ARG HG2 . 11029 1 1243 . 1 1 96 96 ARG HG3 H 1 1.857 0.020 . 2 . . . . 93 ARG HG3 . 11029 1 1244 . 1 1 96 96 ARG CD C 13 42.582 0.400 . 1 . . . . 93 ARG CD . 11029 1 1245 . 1 1 96 96 ARG HD2 H 1 3.190 0.020 . 2 . . . . 93 ARG HD2 . 11029 1 1246 . 1 1 96 96 ARG HD3 H 1 3.138 0.020 . 2 . . . . 93 ARG HD3 . 11029 1 1247 . 1 1 96 96 ARG NE N 15 83.328 0.400 . 1 . . . . 93 ARG NE . 11029 1 1248 . 1 1 96 96 ARG HE H 1 7.496 0.020 . 1 . . . . 93 ARG HE . 11029 1 1249 . 1 1 96 96 ARG CZ C 13 159.274 0.400 . 1 . . . . 93 ARG CZ . 11029 1 1250 . 1 1 96 96 ARG HH11 H 1 7.004 0.020 . 2 . . . . 93 ARG HH11 . 11029 1 1251 . 1 1 96 96 ARG HH12 H 1 7.004 0.020 . 2 . . . . 93 ARG HH12 . 11029 1 1252 . 1 1 96 96 ARG HH21 H 1 6.710 0.020 . 2 . . . . 93 ARG HH21 . 11029 1 1253 . 1 1 96 96 ARG HH22 H 1 6.710 0.020 . 2 . . . . 93 ARG HH22 . 11029 1 1254 . 1 1 96 96 ARG C C 13 177.500 0.400 . 1 . . . . 93 ARG C . 11029 1 1255 . 1 1 97 97 LYS N N 15 116.750 0.400 . 1 . . . . 94 LYS N . 11029 1 1256 . 1 1 97 97 LYS H H 1 7.527 0.020 . 1 . . . . 94 LYS H . 11029 1 1257 . 1 1 97 97 LYS CA C 13 55.282 0.400 . 1 . . . . 94 LYS CA . 11029 1 1258 . 1 1 97 97 LYS HA H 1 4.274 0.020 . 1 . . . . 94 LYS HA . 11029 1 1259 . 1 1 97 97 LYS CB C 13 32.112 0.400 . 1 . . . . 94 LYS CB . 11029 1 1260 . 1 1 97 97 LYS HB2 H 1 2.031 0.020 . 2 . . . . 94 LYS HB2 . 11029 1 1261 . 1 1 97 97 LYS HB3 H 1 1.596 0.020 . 2 . . . . 94 LYS HB3 . 11029 1 1262 . 1 1 97 97 LYS CG C 13 24.789 0.400 . 1 . . . . 94 LYS CG . 11029 1 1263 . 1 1 97 97 LYS HG2 H 1 1.384 0.020 . 2 . . . . 94 LYS HG2 . 11029 1 1264 . 1 1 97 97 LYS HG3 H 1 1.384 0.020 . 2 . . . . 94 LYS HG3 . 11029 1 1265 . 1 1 97 97 LYS CD C 13 28.463 0.400 . 1 . . . . 94 LYS CD . 11029 1 1266 . 1 1 97 97 LYS HD2 H 1 1.565 0.020 . 2 . . . . 94 LYS HD2 . 11029 1 1267 . 1 1 97 97 LYS HD3 H 1 1.565 0.020 . 2 . . . . 94 LYS HD3 . 11029 1 1268 . 1 1 97 97 LYS CE C 13 41.215 0.400 . 1 . . . . 94 LYS CE . 11029 1 1269 . 1 1 97 97 LYS HE2 H 1 2.881 0.020 . 2 . . . . 94 LYS HE2 . 11029 1 1270 . 1 1 97 97 LYS HE3 H 1 2.881 0.020 . 2 . . . . 94 LYS HE3 . 11029 1 1271 . 1 1 97 97 LYS C C 13 174.901 0.400 . 1 . . . . 94 LYS C . 11029 1 1272 . 1 1 98 98 ASN N N 15 116.979 0.400 . 1 . . . . 95 ASN N . 11029 1 1273 . 1 1 98 98 ASN H H 1 8.150 0.020 . 1 . . . . 95 ASN H . 11029 1 1274 . 1 1 98 98 ASN CA C 13 53.822 0.400 . 1 . . . . 95 ASN CA . 11029 1 1275 . 1 1 98 98 ASN HA H 1 4.370 0.020 . 1 . . . . 95 ASN HA . 11029 1 1276 . 1 1 98 98 ASN CB C 13 36.674 0.400 . 1 . . . . 95 ASN CB . 11029 1 1277 . 1 1 98 98 ASN HB2 H 1 2.766 0.020 . 2 . . . . 95 ASN HB2 . 11029 1 1278 . 1 1 98 98 ASN HB3 H 1 3.117 0.020 . 2 . . . . 95 ASN HB3 . 11029 1 1279 . 1 1 98 98 ASN ND2 N 15 112.053 0.400 . 1 . . . . 95 ASN ND2 . 11029 1 1280 . 1 1 98 98 ASN HD21 H 1 7.573 0.020 . 2 . . . . 95 ASN HD21 . 11029 1 1281 . 1 1 98 98 ASN HD22 H 1 6.836 0.020 . 2 . . . . 95 ASN HD22 . 11029 1 1282 . 1 1 98 98 ASN C C 13 173.779 0.400 . 1 . . . . 95 ASN C . 11029 1 1283 . 1 1 99 99 GLU N N 15 118.529 0.400 . 1 . . . . 96 GLU N . 11029 1 1284 . 1 1 99 99 GLU H H 1 8.236 0.020 . 1 . . . . 96 GLU H . 11029 1 1285 . 1 1 99 99 GLU CA C 13 52.891 0.400 . 1 . . . . 96 GLU CA . 11029 1 1286 . 1 1 99 99 GLU HA H 1 4.673 0.020 . 1 . . . . 96 GLU HA . 11029 1 1287 . 1 1 99 99 GLU CB C 13 30.358 0.400 . 1 . . . . 96 GLU CB . 11029 1 1288 . 1 1 99 99 GLU CG C 13 35.686 0.400 . 1 . . . . 96 GLU CG . 11029 1 1289 . 1 1 99 99 GLU HG2 H 1 2.228 0.020 . 2 . . . . 96 GLU HG2 . 11029 1 1290 . 1 1 99 99 GLU HG3 H 1 2.228 0.020 . 2 . . . . 96 GLU HG3 . 11029 1 1291 . 1 1 100 100 PRO CD C 13 49.551 0.400 . 1 . . . . 97 PRO CD . 11029 1 1292 . 1 1 100 100 PRO CA C 13 62.037 0.400 . 1 . . . . 97 PRO CA . 11029 1 1293 . 1 1 100 100 PRO HA H 1 4.272 0.020 . 1 . . . . 97 PRO HA . 11029 1 1294 . 1 1 100 100 PRO CB C 13 31.609 0.400 . 1 . . . . 97 PRO CB . 11029 1 1295 . 1 1 100 100 PRO HB2 H 1 2.244 0.020 . 2 . . . . 97 PRO HB2 . 11029 1 1296 . 1 1 100 100 PRO HB3 H 1 1.773 0.020 . 2 . . . . 97 PRO HB3 . 11029 1 1297 . 1 1 100 100 PRO CG C 13 27.140 0.400 . 1 . . . . 97 PRO CG . 11029 1 1298 . 1 1 100 100 PRO HG2 H 1 1.993 0.020 . 2 . . . . 97 PRO HG2 . 11029 1 1299 . 1 1 100 100 PRO HG3 H 1 1.993 0.020 . 2 . . . . 97 PRO HG3 . 11029 1 1300 . 1 1 100 100 PRO HD2 H 1 3.749 0.020 . 2 . . . . 97 PRO HD2 . 11029 1 1301 . 1 1 100 100 PRO HD3 H 1 3.749 0.020 . 2 . . . . 97 PRO HD3 . 11029 1 1302 . 1 1 100 100 PRO C C 13 176.184 0.400 . 1 . . . . 97 PRO C . 11029 1 1303 . 1 1 101 101 LEU N N 15 122.794 0.400 . 1 . . . . 98 LEU N . 11029 1 1304 . 1 1 101 101 LEU H H 1 8.832 0.020 . 1 . . . . 98 LEU H . 11029 1 1305 . 1 1 101 101 LEU CA C 13 52.524 0.400 . 1 . . . . 98 LEU CA . 11029 1 1306 . 1 1 101 101 LEU HA H 1 4.654 0.020 . 1 . . . . 98 LEU HA . 11029 1 1307 . 1 1 101 101 LEU CB C 13 40.422 0.400 . 1 . . . . 98 LEU CB . 11029 1 1308 . 1 1 101 101 LEU HB2 H 1 1.774 0.020 . 2 . . . . 98 LEU HB2 . 11029 1 1309 . 1 1 101 101 LEU HB3 H 1 1.609 0.020 . 2 . . . . 98 LEU HB3 . 11029 1 1310 . 1 1 101 101 LEU CG C 13 28.702 0.400 . 1 . . . . 98 LEU CG . 11029 1 1311 . 1 1 101 101 LEU HG H 1 1.836 0.020 . 1 . . . . 98 LEU HG . 11029 1 1312 . 1 1 101 101 LEU HD11 H 1 1.007 0.020 . 2 . . . . 98 LEU HD1 . 11029 1 1313 . 1 1 101 101 LEU HD12 H 1 1.007 0.020 . 2 . . . . 98 LEU HD1 . 11029 1 1314 . 1 1 101 101 LEU HD13 H 1 1.007 0.020 . 2 . . . . 98 LEU HD1 . 11029 1 1315 . 1 1 101 101 LEU HD21 H 1 0.943 0.020 . 2 . . . . 98 LEU HD2 . 11029 1 1316 . 1 1 101 101 LEU HD22 H 1 0.943 0.020 . 2 . . . . 98 LEU HD2 . 11029 1 1317 . 1 1 101 101 LEU HD23 H 1 0.943 0.020 . 2 . . . . 98 LEU HD2 . 11029 1 1318 . 1 1 101 101 LEU CD1 C 13 24.606 0.400 . 1 . . . . 98 LEU CD1 . 11029 1 1319 . 1 1 101 101 LEU CD2 C 13 25.089 0.400 . 1 . . . . 98 LEU CD2 . 11029 1 1320 . 1 1 102 102 PRO CD C 13 49.821 0.400 . 1 . . . . 99 PRO CD . 11029 1 1321 . 1 1 102 102 PRO CA C 13 61.075 0.400 . 1 . . . . 99 PRO CA . 11029 1 1322 . 1 1 102 102 PRO HA H 1 4.629 0.020 . 1 . . . . 99 PRO HA . 11029 1 1323 . 1 1 102 102 PRO CB C 13 31.778 0.400 . 1 . . . . 99 PRO CB . 11029 1 1324 . 1 1 102 102 PRO HB2 H 1 2.340 0.020 . 2 . . . . 99 PRO HB2 . 11029 1 1325 . 1 1 102 102 PRO HB3 H 1 1.941 0.020 . 2 . . . . 99 PRO HB3 . 11029 1 1326 . 1 1 102 102 PRO HD2 H 1 3.652 0.020 . 2 . . . . 99 PRO HD2 . 11029 1 1327 . 1 1 102 102 PRO HD3 H 1 3.652 0.020 . 2 . . . . 99 PRO HD3 . 11029 1 1328 . 1 1 102 102 PRO C C 13 174.604 0.400 . 1 . . . . 99 PRO C . 11029 1 1329 . 1 1 103 103 VAL N N 15 120.834 0.400 . 1 . . . . 100 VAL N . 11029 1 1330 . 1 1 103 103 VAL H H 1 8.661 0.020 . 1 . . . . 100 VAL H . 11029 1 1331 . 1 1 103 103 VAL CA C 13 62.977 0.400 . 1 . . . . 100 VAL CA . 11029 1 1332 . 1 1 103 103 VAL HA H 1 3.860 0.020 . 1 . . . . 100 VAL HA . 11029 1 1333 . 1 1 103 103 VAL CB C 13 31.731 0.400 . 1 . . . . 100 VAL CB . 11029 1 1334 . 1 1 103 103 VAL HB H 1 2.173 0.020 . 1 . . . . 100 VAL HB . 11029 1 1335 . 1 1 103 103 VAL HG11 H 1 1.147 0.020 . 2 . . . . 100 VAL HG1 . 11029 1 1336 . 1 1 103 103 VAL HG12 H 1 1.147 0.020 . 2 . . . . 100 VAL HG1 . 11029 1 1337 . 1 1 103 103 VAL HG13 H 1 1.147 0.020 . 2 . . . . 100 VAL HG1 . 11029 1 1338 . 1 1 103 103 VAL HG21 H 1 1.095 0.020 . 2 . . . . 100 VAL HG2 . 11029 1 1339 . 1 1 103 103 VAL HG22 H 1 1.095 0.020 . 2 . . . . 100 VAL HG2 . 11029 1 1340 . 1 1 103 103 VAL HG23 H 1 1.095 0.020 . 2 . . . . 100 VAL HG2 . 11029 1 1341 . 1 1 103 103 VAL CG1 C 13 21.581 0.400 . 1 . . . . 100 VAL CG1 . 11029 1 1342 . 1 1 103 103 VAL C C 13 177.396 0.400 . 1 . . . . 100 VAL C . 11029 1 1343 . 1 1 104 104 TYR N N 15 129.973 0.400 . 1 . . . . 101 TYR N . 11029 1 1344 . 1 1 104 104 TYR H H 1 8.487 0.020 . 1 . . . . 101 TYR H . 11029 1 1345 . 1 1 104 104 TYR CA C 13 62.855 0.400 . 1 . . . . 101 TYR CA . 11029 1 1346 . 1 1 104 104 TYR HA H 1 3.802 0.020 . 1 . . . . 101 TYR HA . 11029 1 1347 . 1 1 104 104 TYR CB C 13 38.429 0.400 . 1 . . . . 101 TYR CB . 11029 1 1348 . 1 1 104 104 TYR HB2 H 1 2.965 0.020 . 2 . . . . 101 TYR HB2 . 11029 1 1349 . 1 1 104 104 TYR HB3 H 1 2.965 0.020 . 2 . . . . 101 TYR HB3 . 11029 1 1350 . 1 1 104 104 TYR CD1 C 13 132.392 0.400 . 1 . . . . 101 TYR CD1 . 11029 1 1351 . 1 1 104 104 TYR HD1 H 1 6.842 0.020 . 1 . . . . 101 TYR HD1 . 11029 1 1352 . 1 1 104 104 TYR CE1 C 13 117.027 0.400 . 1 . . . . 101 TYR CE1 . 11029 1 1353 . 1 1 104 104 TYR HE1 H 1 6.622 0.020 . 1 . . . . 101 TYR HE1 . 11029 1 1354 . 1 1 104 104 TYR HE2 H 1 6.622 0.020 . 1 . . . . 101 TYR HE2 . 11029 1 1355 . 1 1 104 104 TYR HD2 H 1 6.842 0.020 . 1 . . . . 101 TYR HD2 . 11029 1 1356 . 1 1 104 104 TYR C C 13 175.877 0.400 . 1 . . . . 101 TYR C . 11029 1 1357 . 1 1 105 105 LYS N N 15 117.165 0.400 . 1 . . . . 102 LYS N . 11029 1 1358 . 1 1 105 105 LYS H H 1 8.848 0.020 . 1 . . . . 102 LYS H . 11029 1 1359 . 1 1 105 105 LYS CA C 13 59.343 0.400 . 1 . . . . 102 LYS CA . 11029 1 1360 . 1 1 105 105 LYS HA H 1 3.810 0.020 . 1 . . . . 102 LYS HA . 11029 1 1361 . 1 1 105 105 LYS CB C 13 31.739 0.400 . 1 . . . . 102 LYS CB . 11029 1 1362 . 1 1 105 105 LYS HB2 H 1 1.762 0.020 . 2 . . . . 102 LYS HB2 . 11029 1 1363 . 1 1 105 105 LYS HB3 H 1 1.885 0.020 . 2 . . . . 102 LYS HB3 . 11029 1 1364 . 1 1 105 105 LYS CG C 13 24.165 0.400 . 1 . . . . 102 LYS CG . 11029 1 1365 . 1 1 105 105 LYS HG2 H 1 1.477 0.020 . 2 . . . . 102 LYS HG2 . 11029 1 1366 . 1 1 105 105 LYS HG3 H 1 1.477 0.020 . 2 . . . . 102 LYS HG3 . 11029 1 1367 . 1 1 105 105 LYS CD C 13 28.586 0.400 . 1 . . . . 102 LYS CD . 11029 1 1368 . 1 1 105 105 LYS HD2 H 1 1.663 0.020 . 2 . . . . 102 LYS HD2 . 11029 1 1369 . 1 1 105 105 LYS HD3 H 1 1.663 0.020 . 2 . . . . 102 LYS HD3 . 11029 1 1370 . 1 1 105 105 LYS CE C 13 41.196 0.400 . 1 . . . . 102 LYS CE . 11029 1 1371 . 1 1 105 105 LYS HE2 H 1 2.931 0.020 . 2 . . . . 102 LYS HE2 . 11029 1 1372 . 1 1 105 105 LYS HE3 H 1 2.931 0.020 . 2 . . . . 102 LYS HE3 . 11029 1 1373 . 1 1 105 105 LYS C C 13 177.370 0.400 . 1 . . . . 102 LYS C . 11029 1 1374 . 1 1 106 106 ASP N N 15 117.011 0.400 . 1 . . . . 103 ASP N . 11029 1 1375 . 1 1 106 106 ASP H H 1 6.781 0.020 . 1 . . . . 103 ASP H . 11029 1 1376 . 1 1 106 106 ASP CA C 13 56.155 0.400 . 1 . . . . 103 ASP CA . 11029 1 1377 . 1 1 106 106 ASP HA H 1 4.454 0.020 . 1 . . . . 103 ASP HA . 11029 1 1378 . 1 1 106 106 ASP CB C 13 39.467 0.400 . 1 . . . . 103 ASP CB . 11029 1 1379 . 1 1 106 106 ASP HB2 H 1 2.796 0.020 . 2 . . . . 103 ASP HB2 . 11029 1 1380 . 1 1 106 106 ASP HB3 H 1 2.665 0.020 . 2 . . . . 103 ASP HB3 . 11029 1 1381 . 1 1 106 106 ASP C C 13 178.180 0.400 . 1 . . . . 103 ASP C . 11029 1 1382 . 1 1 107 107 LEU N N 15 124.145 0.400 . 1 . . . . 104 LEU N . 11029 1 1383 . 1 1 107 107 LEU H H 1 7.687 0.020 . 1 . . . . 104 LEU H . 11029 1 1384 . 1 1 107 107 LEU CA C 13 56.938 0.400 . 1 . . . . 104 LEU CA . 11029 1 1385 . 1 1 107 107 LEU HA H 1 4.000 0.020 . 1 . . . . 104 LEU HA . 11029 1 1386 . 1 1 107 107 LEU CB C 13 41.707 0.400 . 1 . . . . 104 LEU CB . 11029 1 1387 . 1 1 107 107 LEU HB2 H 1 1.253 0.020 . 2 . . . . 104 LEU HB2 . 11029 1 1388 . 1 1 107 107 LEU HB3 H 1 1.737 0.020 . 2 . . . . 104 LEU HB3 . 11029 1 1389 . 1 1 107 107 LEU CG C 13 26.532 0.400 . 1 . . . . 104 LEU CG . 11029 1 1390 . 1 1 107 107 LEU HG H 1 1.252 0.020 . 1 . . . . 104 LEU HG . 11029 1 1391 . 1 1 107 107 LEU HD11 H 1 0.366 0.020 . 2 . . . . 104 LEU HD1 . 11029 1 1392 . 1 1 107 107 LEU HD12 H 1 0.366 0.020 . 2 . . . . 104 LEU HD1 . 11029 1 1393 . 1 1 107 107 LEU HD13 H 1 0.366 0.020 . 2 . . . . 104 LEU HD1 . 11029 1 1394 . 1 1 107 107 LEU HD21 H 1 0.917 0.020 . 2 . . . . 104 LEU HD2 . 11029 1 1395 . 1 1 107 107 LEU HD22 H 1 0.917 0.020 . 2 . . . . 104 LEU HD2 . 11029 1 1396 . 1 1 107 107 LEU HD23 H 1 0.917 0.020 . 2 . . . . 104 LEU HD2 . 11029 1 1397 . 1 1 107 107 LEU CD1 C 13 21.564 0.400 . 1 . . . . 104 LEU CD1 . 11029 1 1398 . 1 1 107 107 LEU CD2 C 13 27.133 0.400 . 1 . . . . 104 LEU CD2 . 11029 1 1399 . 1 1 107 107 LEU C C 13 176.403 0.400 . 1 . . . . 104 LEU C . 11029 1 1400 . 1 1 108 108 TRP N N 15 120.039 0.400 . 1 . . . . 105 TRP N . 11029 1 1401 . 1 1 108 108 TRP H H 1 9.072 0.020 . 1 . . . . 105 TRP H . 11029 1 1402 . 1 1 108 108 TRP CA C 13 62.392 0.400 . 1 . . . . 105 TRP CA . 11029 1 1403 . 1 1 108 108 TRP HA H 1 3.547 0.020 . 1 . . . . 105 TRP HA . 11029 1 1404 . 1 1 108 108 TRP CB C 13 28.316 0.400 . 1 . . . . 105 TRP CB . 11029 1 1405 . 1 1 108 108 TRP HB2 H 1 2.928 0.020 . 2 . . . . 105 TRP HB2 . 11029 1 1406 . 1 1 108 108 TRP HB3 H 1 2.207 0.020 . 2 . . . . 105 TRP HB3 . 11029 1 1407 . 1 1 108 108 TRP CE3 C 13 119.784 0.400 . 1 . . . . 105 TRP CE3 . 11029 1 1408 . 1 1 108 108 TRP HE3 H 1 7.413 0.020 . 1 . . . . 105 TRP HE3 . 11029 1 1409 . 1 1 108 108 TRP CZ3 C 13 121.318 0.400 . 1 . . . . 105 TRP CZ3 . 11029 1 1410 . 1 1 108 108 TRP CZ2 C 13 114.056 0.400 . 1 . . . . 105 TRP CZ2 . 11029 1 1411 . 1 1 108 108 TRP HZ3 H 1 7.065 0.020 . 1 . . . . 105 TRP HZ3 . 11029 1 1412 . 1 1 108 108 TRP CH2 C 13 123.552 0.400 . 1 . . . . 105 TRP CH2 . 11029 1 1413 . 1 1 108 108 TRP HZ2 H 1 7.463 0.020 . 1 . . . . 105 TRP HZ2 . 11029 1 1414 . 1 1 108 108 TRP HH2 H 1 7.036 0.020 . 1 . . . . 105 TRP HH2 . 11029 1 1415 . 1 1 108 108 TRP C C 13 176.983 0.400 . 1 . . . . 105 TRP C . 11029 1 1416 . 1 1 109 109 ASN N N 15 113.557 0.400 . 1 . . . . 106 ASN N . 11029 1 1417 . 1 1 109 109 ASN H H 1 8.058 0.020 . 1 . . . . 106 ASN H . 11029 1 1418 . 1 1 109 109 ASN CA C 13 55.662 0.400 . 1 . . . . 106 ASN CA . 11029 1 1419 . 1 1 109 109 ASN HA H 1 3.994 0.020 . 1 . . . . 106 ASN HA . 11029 1 1420 . 1 1 109 109 ASN CB C 13 37.973 0.400 . 1 . . . . 106 ASN CB . 11029 1 1421 . 1 1 109 109 ASN HB2 H 1 2.934 0.020 . 2 . . . . 106 ASN HB2 . 11029 1 1422 . 1 1 109 109 ASN HB3 H 1 2.611 0.020 . 2 . . . . 106 ASN HB3 . 11029 1 1423 . 1 1 109 109 ASN ND2 N 15 113.345 0.400 . 1 . . . . 106 ASN ND2 . 11029 1 1424 . 1 1 109 109 ASN HD21 H 1 7.800 0.020 . 2 . . . . 106 ASN HD21 . 11029 1 1425 . 1 1 109 109 ASN HD22 H 1 7.176 0.020 . 2 . . . . 106 ASN HD22 . 11029 1 1426 . 1 1 109 109 ASN C C 13 176.928 0.400 . 1 . . . . 106 ASN C . 11029 1 1427 . 1 1 110 110 ALA N N 15 121.997 0.400 . 1 . . . . 107 ALA N . 11029 1 1428 . 1 1 110 110 ALA H H 1 7.718 0.020 . 1 . . . . 107 ALA H . 11029 1 1429 . 1 1 110 110 ALA CA C 13 54.261 0.400 . 1 . . . . 107 ALA CA . 11029 1 1430 . 1 1 110 110 ALA HA H 1 3.979 0.020 . 1 . . . . 107 ALA HA . 11029 1 1431 . 1 1 110 110 ALA HB1 H 1 1.372 0.020 . 1 . . . . 107 ALA HB . 11029 1 1432 . 1 1 110 110 ALA HB2 H 1 1.372 0.020 . 1 . . . . 107 ALA HB . 11029 1 1433 . 1 1 110 110 ALA HB3 H 1 1.372 0.020 . 1 . . . . 107 ALA HB . 11029 1 1434 . 1 1 110 110 ALA CB C 13 17.322 0.400 . 1 . . . . 107 ALA CB . 11029 1 1435 . 1 1 110 110 ALA C C 13 180.452 0.400 . 1 . . . . 107 ALA C . 11029 1 1436 . 1 1 111 111 LEU N N 15 119.150 0.400 . 1 . . . . 108 LEU N . 11029 1 1437 . 1 1 111 111 LEU H H 1 8.200 0.020 . 1 . . . . 108 LEU H . 11029 1 1438 . 1 1 111 111 LEU CA C 13 56.264 0.400 . 1 . . . . 108 LEU CA . 11029 1 1439 . 1 1 111 111 LEU HA H 1 3.857 0.020 . 1 . . . . 108 LEU HA . 11029 1 1440 . 1 1 111 111 LEU CB C 13 41.134 0.400 . 1 . . . . 108 LEU CB . 11029 1 1441 . 1 1 111 111 LEU HB2 H 1 1.249 0.020 . 2 . . . . 108 LEU HB2 . 11029 1 1442 . 1 1 111 111 LEU HB3 H 1 1.593 0.020 . 2 . . . . 108 LEU HB3 . 11029 1 1443 . 1 1 111 111 LEU CG C 13 25.730 0.400 . 1 . . . . 108 LEU CG . 11029 1 1444 . 1 1 111 111 LEU HG H 1 1.706 0.020 . 1 . . . . 108 LEU HG . 11029 1 1445 . 1 1 111 111 LEU HD11 H 1 0.717 0.020 . 2 . . . . 108 LEU HD1 . 11029 1 1446 . 1 1 111 111 LEU HD12 H 1 0.717 0.020 . 2 . . . . 108 LEU HD1 . 11029 1 1447 . 1 1 111 111 LEU HD13 H 1 0.717 0.020 . 2 . . . . 108 LEU HD1 . 11029 1 1448 . 1 1 111 111 LEU HD21 H 1 0.698 0.020 . 2 . . . . 108 LEU HD2 . 11029 1 1449 . 1 1 111 111 LEU HD22 H 1 0.698 0.020 . 2 . . . . 108 LEU HD2 . 11029 1 1450 . 1 1 111 111 LEU HD23 H 1 0.698 0.020 . 2 . . . . 108 LEU HD2 . 11029 1 1451 . 1 1 111 111 LEU CD1 C 13 25.472 0.400 . 1 . . . . 108 LEU CD1 . 11029 1 1452 . 1 1 111 111 LEU CD2 C 13 21.388 0.400 . 1 . . . . 108 LEU CD2 . 11029 1 1453 . 1 1 111 111 LEU C C 13 178.144 0.400 . 1 . . . . 108 LEU C . 11029 1 1454 . 1 1 112 112 ARG N N 15 117.178 0.400 . 1 . . . . 109 ARG N . 11029 1 1455 . 1 1 112 112 ARG H H 1 7.365 0.020 . 1 . . . . 109 ARG H . 11029 1 1456 . 1 1 112 112 ARG CA C 13 56.443 0.400 . 1 . . . . 109 ARG CA . 11029 1 1457 . 1 1 112 112 ARG HA H 1 2.642 0.020 . 1 . . . . 109 ARG HA . 11029 1 1458 . 1 1 112 112 ARG CB C 13 28.901 0.400 . 1 . . . . 109 ARG CB . 11029 1 1459 . 1 1 112 112 ARG HB2 H 1 0.892 0.020 . 2 . . . . 109 ARG HB2 . 11029 1 1460 . 1 1 112 112 ARG HB3 H 1 0.702 0.020 . 2 . . . . 109 ARG HB3 . 11029 1 1461 . 1 1 112 112 ARG CG C 13 25.617 0.400 . 1 . . . . 109 ARG CG . 11029 1 1462 . 1 1 112 112 ARG HG2 H 1 0.702 0.020 . 2 . . . . 109 ARG HG2 . 11029 1 1463 . 1 1 112 112 ARG HG3 H 1 0.702 0.020 . 2 . . . . 109 ARG HG3 . 11029 1 1464 . 1 1 112 112 ARG CD C 13 42.081 0.400 . 1 . . . . 109 ARG CD . 11029 1 1465 . 1 1 112 112 ARG HD2 H 1 2.020 0.020 . 2 . . . . 109 ARG HD2 . 11029 1 1466 . 1 1 112 112 ARG HD3 H 1 1.771 0.020 . 2 . . . . 109 ARG HD3 . 11029 1 1467 . 1 1 112 112 ARG NE N 15 84.327 0.400 . 1 . . . . 109 ARG NE . 11029 1 1468 . 1 1 112 112 ARG HE H 1 6.643 0.020 . 1 . . . . 109 ARG HE . 11029 1 1469 . 1 1 112 112 ARG C C 13 176.348 0.400 . 1 . . . . 109 ARG C . 11029 1 1470 . 1 1 113 113 LYS N N 15 118.628 0.400 . 1 . . . . 110 LYS N . 11029 1 1471 . 1 1 113 113 LYS H H 1 7.145 0.020 . 1 . . . . 110 LYS H . 11029 1 1472 . 1 1 113 113 LYS CA C 13 56.410 0.400 . 1 . . . . 110 LYS CA . 11029 1 1473 . 1 1 113 113 LYS HA H 1 4.018 0.020 . 1 . . . . 110 LYS HA . 11029 1 1474 . 1 1 113 113 LYS CB C 13 32.091 0.400 . 1 . . . . 110 LYS CB . 11029 1 1475 . 1 1 113 113 LYS HB2 H 1 1.805 0.020 . 2 . . . . 110 LYS HB2 . 11029 1 1476 . 1 1 113 113 LYS HB3 H 1 1.696 0.020 . 2 . . . . 110 LYS HB3 . 11029 1 1477 . 1 1 113 113 LYS CG C 13 24.275 0.400 . 1 . . . . 110 LYS CG . 11029 1 1478 . 1 1 113 113 LYS HG2 H 1 1.385 0.020 . 2 . . . . 110 LYS HG2 . 11029 1 1479 . 1 1 113 113 LYS HG3 H 1 1.308 0.020 . 2 . . . . 110 LYS HG3 . 11029 1 1480 . 1 1 113 113 LYS CD C 13 28.458 0.400 . 1 . . . . 110 LYS CD . 11029 1 1481 . 1 1 113 113 LYS HD2 H 1 1.561 0.020 . 2 . . . . 110 LYS HD2 . 11029 1 1482 . 1 1 113 113 LYS HD3 H 1 1.561 0.020 . 2 . . . . 110 LYS HD3 . 11029 1 1483 . 1 1 113 113 LYS CE C 13 41.366 0.400 . 1 . . . . 110 LYS CE . 11029 1 1484 . 1 1 113 113 LYS HE2 H 1 2.888 0.020 . 2 . . . . 110 LYS HE2 . 11029 1 1485 . 1 1 113 113 LYS HE3 H 1 2.888 0.020 . 2 . . . . 110 LYS HE3 . 11029 1 1486 . 1 1 113 113 LYS C C 13 176.164 0.400 . 1 . . . . 110 LYS C . 11029 1 1487 . 1 1 114 114 GLY N N 15 113.443 0.400 . 1 . . . . 111 GLY N . 11029 1 1488 . 1 1 114 114 GLY H H 1 7.536 0.020 . 1 . . . . 111 GLY H . 11029 1 1489 . 1 1 114 114 GLY CA C 13 45.611 0.400 . 1 . . . . 111 GLY CA . 11029 1 1490 . 1 1 114 114 GLY HA2 H 1 3.644 0.020 . 2 . . . . 111 GLY HA2 . 11029 1 1491 . 1 1 114 114 GLY HA3 H 1 3.644 0.020 . 2 . . . . 111 GLY HA3 . 11029 1 stop_ save_