data_10118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10118 _Entry.Title ; 1H 13C and 15N Chemical Shift Assignments for C-terminal domain of PH0471 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-07 _Entry.Accession_date 2007-03-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Yohta Kuwahara . . . 10118 2 Ayako Ohno . . . 10118 3 Taichi Morii . . . 10118 4 Hidehito Tochio . . . 10118 5 Masahiro Shirakawa . . . 10118 6 Hidekazu Hiroaki . . . 10118 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . ; Field of Supramolecular Biology, International Graduate School of Arts and Sciences, Yokohama City University ; . 10118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 10118 '15N chemical shifts' 74 10118 '1H chemical shifts' 552 10118 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-11-21 2007-03-07 update BMRB 'update entry citation' 10118 1 . . 2008-09-22 2007-03-07 original author 'original release' 10118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EXD 'BMRB Entry Tracking System' 10118 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10118 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18687870 _Citation.Full_citation . _Citation.Title 'The solution structure of the C-terminal domain of NfeD reveals a novel membrane-anchored OB-fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 11 _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 1915 _Citation.Page_last 1924 _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 Yohta Kuwahara . . . 10118 1 2 Ayako Ohno . . . 10118 1 3 Taichi Morii . . . 10118 1 4 Hideshi Yokoyama . . . 10118 1 5 Ikuo Matsui . . . 10118 1 6 Hidehito Tochio . . . 10118 1 7 Masahiro Shirakawa . . . 10118 1 8 Hidekazu Hiroaki . . . 10118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10118 _Assembly.ID 1 _Assembly.Name PH0471 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 9182 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10118 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PH0471_C-terminal_domain 1 $PH0471_C-terminal_domain . . yes native no no . . . 10118 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2EXD . . 'Minimized Average Structure from NMR' . 'Structure solution from this entry' . 10118 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID nfeD-domain pfam 10118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PH0471_C-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode PH0471_C-terminal_domain _Entity.Entry_ID 10118 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH0471 C-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RRETTDIGGGKYTFELKGKV GKVVKIAEDHYLVEVEGDKW IAYSDEKLSLGDRVMVVDVD GLKLKVKRIPPQLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8360 _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 2EXD . "The Solution Structure Of The C-Terminal Domain Of A Nfed Homolog From Pyrococcus Horikoshii" . . . . . 100.00 80 100.00 100.00 5.61e-43 . . . . 10118 1 2 no DBJ BAA29559 . "143aa long hypothetical protein [Pyrococcus horikoshii OT3]" . . . . . 97.30 143 100.00 100.00 1.19e-42 . . . . 10118 1 3 no REF WP_010884582 . "hypothetical protein [Pyrococcus horikoshii]" . . . . . 97.30 143 100.00 100.00 1.19e-42 . . . . 10118 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID nfeD-domain . 10118 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID nfeD-domain pfam 10118 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID nfeD-domain 10118 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 72 ARG . 10118 1 2 73 ARG . 10118 1 3 74 GLU . 10118 1 4 75 THR . 10118 1 5 76 THR . 10118 1 6 77 ASP . 10118 1 7 78 ILE . 10118 1 8 79 GLY . 10118 1 9 80 GLY . 10118 1 10 81 GLY . 10118 1 11 82 LYS . 10118 1 12 83 TYR . 10118 1 13 84 THR . 10118 1 14 85 PHE . 10118 1 15 86 GLU . 10118 1 16 87 LEU . 10118 1 17 88 LYS . 10118 1 18 89 GLY . 10118 1 19 90 LYS . 10118 1 20 91 VAL . 10118 1 21 92 GLY . 10118 1 22 93 LYS . 10118 1 23 94 VAL . 10118 1 24 95 VAL . 10118 1 25 96 LYS . 10118 1 26 97 ILE . 10118 1 27 98 ALA . 10118 1 28 99 GLU . 10118 1 29 100 ASP . 10118 1 30 101 HIS . 10118 1 31 102 TYR . 10118 1 32 103 LEU . 10118 1 33 104 VAL . 10118 1 34 105 GLU . 10118 1 35 106 VAL . 10118 1 36 107 GLU . 10118 1 37 108 GLY . 10118 1 38 109 ASP . 10118 1 39 110 LYS . 10118 1 40 111 TRP . 10118 1 41 112 ILE . 10118 1 42 113 ALA . 10118 1 43 114 TYR . 10118 1 44 115 SER . 10118 1 45 116 ASP . 10118 1 46 117 GLU . 10118 1 47 118 LYS . 10118 1 48 119 LEU . 10118 1 49 120 SER . 10118 1 50 121 LEU . 10118 1 51 122 GLY . 10118 1 52 123 ASP . 10118 1 53 124 ARG . 10118 1 54 125 VAL . 10118 1 55 126 MET . 10118 1 56 127 VAL . 10118 1 57 128 VAL . 10118 1 58 129 ASP . 10118 1 59 130 VAL . 10118 1 60 131 ASP . 10118 1 61 132 GLY . 10118 1 62 133 LEU . 10118 1 63 134 LYS . 10118 1 64 135 LEU . 10118 1 65 136 LYS . 10118 1 66 137 VAL . 10118 1 67 138 LYS . 10118 1 68 139 ARG . 10118 1 69 140 ILE . 10118 1 70 141 PRO . 10118 1 71 142 PRO . 10118 1 72 143 GLN . 10118 1 73 144 LEU . 10118 1 74 145 GLU . 10118 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 . ARG 1 1 10118 1 . ARG 2 2 10118 1 . GLU 3 3 10118 1 . THR 4 4 10118 1 . THR 5 5 10118 1 . ASP 6 6 10118 1 . ILE 7 7 10118 1 . GLY 8 8 10118 1 . GLY 9 9 10118 1 . GLY 10 10 10118 1 . LYS 11 11 10118 1 . TYR 12 12 10118 1 . THR 13 13 10118 1 . PHE 14 14 10118 1 . GLU 15 15 10118 1 . LEU 16 16 10118 1 . LYS 17 17 10118 1 . GLY 18 18 10118 1 . LYS 19 19 10118 1 . VAL 20 20 10118 1 . GLY 21 21 10118 1 . LYS 22 22 10118 1 . VAL 23 23 10118 1 . VAL 24 24 10118 1 . LYS 25 25 10118 1 . ILE 26 26 10118 1 . ALA 27 27 10118 1 . GLU 28 28 10118 1 . ASP 29 29 10118 1 . HIS 30 30 10118 1 . TYR 31 31 10118 1 . LEU 32 32 10118 1 . VAL 33 33 10118 1 . GLU 34 34 10118 1 . VAL 35 35 10118 1 . GLU 36 36 10118 1 . GLY 37 37 10118 1 . ASP 38 38 10118 1 . LYS 39 39 10118 1 . TRP 40 40 10118 1 . ILE 41 41 10118 1 . ALA 42 42 10118 1 . TYR 43 43 10118 1 . SER 44 44 10118 1 . ASP 45 45 10118 1 . GLU 46 46 10118 1 . LYS 47 47 10118 1 . LEU 48 48 10118 1 . SER 49 49 10118 1 . LEU 50 50 10118 1 . GLY 51 51 10118 1 . ASP 52 52 10118 1 . ARG 53 53 10118 1 . VAL 54 54 10118 1 . MET 55 55 10118 1 . VAL 56 56 10118 1 . VAL 57 57 10118 1 . ASP 58 58 10118 1 . VAL 59 59 10118 1 . ASP 60 60 10118 1 . GLY 61 61 10118 1 . LEU 62 62 10118 1 . LYS 63 63 10118 1 . LEU 64 64 10118 1 . LYS 65 65 10118 1 . VAL 66 66 10118 1 . LYS 67 67 10118 1 . ARG 68 68 10118 1 . ILE 69 69 10118 1 . PRO 70 70 10118 1 . PRO 71 71 10118 1 . GLN 72 72 10118 1 . LEU 73 73 10118 1 . GLU 74 74 10118 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 10118 _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 $PH0471_C-terminal_domain . 70601 . no . 'Pyrococcus horikoshii OT3' . . Archaea . Pyrococcus horikoshii . . . . . . . . . . . . no . . . . . . . . 10118 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 10118 _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 $PH0471_C-terminal_domain . 'recombinant technology' . 'Escherichia coli' BL21-CodonPlus(DE3)-RIL 562 Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET21b . . . . . . 10118 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10118 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH0471 C-terminal domain' '[U-13C; U-15N]' . . 1 $PH0471_C-terminal_domain . protein 0.7 . . mM . . . . 10118 1 2 'Na Phosphate' . . . . . . buffer 25 . . mM . . . . 10118 1 3 NaCl . . . . . . salt 300 . . mM . . . . 10118 1 4 EDTA . . . . . . carbohydrate 1 . . mM . . . . 10118 1 5 H2O . . . . . . solvent 95 . . % . . . . 10118 1 6 D2O . . . . . . solvent 5 . . % . . . . 10118 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 10118 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH0471 C-terminal domain' [U-15N] . . 1 $PH0471_C-terminal_domain . protein 1 . . mM . . . . 10118 2 2 'Na Phosphate' . . . . . . buffer 25 . . mM . . . . 10118 2 3 NaCl . . . . . . salt 300 . . mM . . . . 10118 2 4 EDTA . . . . . . carbohydrate 1 . . mM . . . . 10118 2 5 H2O . . . . . . solvent 95 . . % . . . . 10118 2 6 D2O . . . . . . solvent 5 . . % . . . . 10118 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10118 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 300 0 mM 10118 1 pH 5.0 0.1 pH 10118 1 pressure 1 0 atm 10118 1 temperature 298 0.1 K 10118 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10118 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10118 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10118 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10118 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10118 2 FT 10118 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10118 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 10118 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10118 _Software.ID 4 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PETER GUNTERT' . . 10118 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10118 4 'structure solution' 10118 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10118 _Software.ID 5 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID VARIAN . . 10118 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10118 5 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 10118 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 10118 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 10118 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10118 _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 '1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 . . . 1 $condition_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 10118 1 2 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 10118 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 10118 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 10118 1 5 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 10118 1 6 HCC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10118 1 7 CC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 10118 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10118 1 stop_ save_ save_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-15N_HSQC _NMR_spec_expt.Entry_ID 10118 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H-13C_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-13C_HSQC _NMR_spec_expt.Entry_ID 10118 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 10118 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 10118 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 10118 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCC(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCC(CO)NH _NMR_spec_expt.Entry_ID 10118 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CC(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CC(CO)NH _NMR_spec_expt.Entry_ID 10118 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 10118 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10118 _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 Dioxine 'methylene carbon' . . . . ppm 69.46 external direct 1.0 . . . . . . . . . 10118 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 10118 1 N 15 TMS nitrogen . . . . ppm 0 external indirect 0.10136767 . . . . . . . . . 10118 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_chemical_shift1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift1 _Assigned_chem_shift_list.Entry_ID 10118 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '1H-15N HSQC' 2 $sample_2 isotropic 10118 1 2 '1H-13C HSQC' 1 $sample_1 isotropic 10118 1 3 HNCA 1 $sample_1 isotropic 10118 1 4 HNCACB 1 $sample_1 isotropic 10118 1 5 CBCACONH 1 $sample_1 isotropic 10118 1 6 HCC(CO)NH 1 $sample_1 isotropic 10118 1 7 CC(CO)NH 1 $sample_1 isotropic 10118 1 8 HCCH-TOCSY 1 $sample_1 isotropic 10118 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 ARG H H 1 8.695 0.000 . 1 . . . . 72 ARG H . 10118 1 2 . 1 1 1 1 ARG HA H 1 4.506 0.011 . 1 . . . . 72 ARG HA . 10118 1 3 . 1 1 1 1 ARG HB2 H 1 1.953 0.000 . 2 . . . . 72 ARG HB2 . 10118 1 4 . 1 1 1 1 ARG HB3 H 1 1.893 0.000 . 2 . . . . 72 ARG HB3 . 10118 1 5 . 1 1 1 1 ARG HG2 H 1 1.754 0.000 . 2 . . . . 72 ARG HG2 . 10118 1 6 . 1 1 1 1 ARG HG3 H 1 1.715 0.000 . 2 . . . . 72 ARG HG3 . 10118 1 7 . 1 1 1 1 ARG HD2 H 1 3.296 0.002 . 1 . . . . 72 ARG HD2 . 10118 1 8 . 1 1 1 1 ARG HD3 H 1 3.296 0.002 . 1 . . . . 72 ARG HD3 . 10118 1 9 . 1 1 1 1 ARG CA C 13 55.793 0.128 . 1 . . . . 72 ARG CA . 10118 1 10 . 1 1 1 1 ARG CB C 13 30.456 0.015 . 1 . . . . 72 ARG CB . 10118 1 11 . 1 1 1 1 ARG CG C 13 26.667 0.054 . 1 . . . . 72 ARG CG . 10118 1 12 . 1 1 1 1 ARG CD C 13 42.980 0.020 . 1 . . . . 72 ARG CD . 10118 1 13 . 1 1 1 1 ARG N N 15 122.427 0.000 . 1 . . . . 72 ARG N . 10118 1 14 . 1 1 2 2 ARG H H 1 8.892 0.001 . 1 . . . . 73 ARG H . 10118 1 15 . 1 1 2 2 ARG HA H 1 4.207 0.002 . 1 . . . . 73 ARG HA . 10118 1 16 . 1 1 2 2 ARG HB2 H 1 2.056 0.004 . 1 . . . . 73 ARG HB2 . 10118 1 17 . 1 1 2 2 ARG HB3 H 1 2.056 0.004 . 1 . . . . 73 ARG HB3 . 10118 1 18 . 1 1 2 2 ARG HG2 H 1 1.771 0.003 . 2 . . . . 73 ARG HG2 . 10118 1 19 . 1 1 2 2 ARG HG3 H 1 1.723 0.004 . 2 . . . . 73 ARG HG3 . 10118 1 20 . 1 1 2 2 ARG HD2 H 1 3.327 0.002 . 1 . . . . 73 ARG HD2 . 10118 1 21 . 1 1 2 2 ARG HD3 H 1 3.327 0.002 . 1 . . . . 73 ARG HD3 . 10118 1 22 . 1 1 2 2 ARG CA C 13 55.267 0.000 . 1 . . . . 73 ARG CA . 10118 1 23 . 1 1 2 2 ARG CB C 13 30.523 0.072 . 1 . . . . 73 ARG CB . 10118 1 24 . 1 1 2 2 ARG CG C 13 25.265 0.000 . 1 . . . . 73 ARG CG . 10118 1 25 . 1 1 2 2 ARG CD C 13 42.802 0.050 . 1 . . . . 73 ARG CD . 10118 1 26 . 1 1 2 2 ARG N N 15 123.029 0.000 . 1 . . . . 73 ARG N . 10118 1 27 . 1 1 3 3 GLU H H 1 8.768 0.001 . 1 . . . . 74 GLU H . 10118 1 28 . 1 1 3 3 GLU HA H 1 4.509 0.002 . 1 . . . . 74 GLU HA . 10118 1 29 . 1 1 3 3 GLU HB2 H 1 2.209 0.001 . 2 . . . . 74 GLU HB2 . 10118 1 30 . 1 1 3 3 GLU HB3 H 1 2.065 0.003 . 2 . . . . 74 GLU HB3 . 10118 1 31 . 1 1 3 3 GLU HG2 H 1 2.413 0.003 . 1 . . . . 74 GLU HG2 . 10118 1 32 . 1 1 3 3 GLU HG3 H 1 2.413 0.003 . 1 . . . . 74 GLU HG3 . 10118 1 33 . 1 1 3 3 GLU CA C 13 56.125 0.058 . 1 . . . . 74 GLU CA . 10118 1 34 . 1 1 3 3 GLU CB C 13 29.797 0.061 . 1 . . . . 74 GLU CB . 10118 1 35 . 1 1 3 3 GLU CG C 13 35.637 0.029 . 1 . . . . 74 GLU CG . 10118 1 36 . 1 1 3 3 GLU N N 15 121.426 0.000 . 1 . . . . 74 GLU N . 10118 1 37 . 1 1 4 4 THR H H 1 8.391 0.001 . 1 . . . . 75 THR H . 10118 1 38 . 1 1 4 4 THR HA H 1 4.525 0.003 . 1 . . . . 75 THR HA . 10118 1 39 . 1 1 4 4 THR HB H 1 4.384 0.002 . 1 . . . . 75 THR HB . 10118 1 40 . 1 1 4 4 THR HG21 H 1 1.310 0.000 . 1 . . . . 75 THR HG2 . 10118 1 41 . 1 1 4 4 THR HG22 H 1 1.310 0.000 . 1 . . . . 75 THR HG2 . 10118 1 42 . 1 1 4 4 THR HG23 H 1 1.310 0.000 . 1 . . . . 75 THR HG2 . 10118 1 43 . 1 1 4 4 THR CA C 13 61.437 0.224 . 1 . . . . 75 THR CA . 10118 1 44 . 1 1 4 4 THR CB C 13 69.511 0.000 . 1 . . . . 75 THR CB . 10118 1 45 . 1 1 4 4 THR CG2 C 13 20.608 0.001 . 1 . . . . 75 THR CG2 . 10118 1 46 . 1 1 4 4 THR N N 15 115.638 0.000 . 1 . . . . 75 THR N . 10118 1 47 . 1 1 5 5 THR H H 1 8.230 0.000 . 1 . . . . 76 THR H . 10118 1 48 . 1 1 5 5 THR HA H 1 4.469 0.004 . 1 . . . . 76 THR HA . 10118 1 49 . 1 1 5 5 THR HB H 1 4.360 0.001 . 1 . . . . 76 THR HB . 10118 1 50 . 1 1 5 5 THR HG21 H 1 1.298 0.000 . 1 . . . . 76 THR HG2 . 10118 1 51 . 1 1 5 5 THR HG22 H 1 1.298 0.000 . 1 . . . . 76 THR HG2 . 10118 1 52 . 1 1 5 5 THR HG23 H 1 1.298 0.000 . 1 . . . . 76 THR HG2 . 10118 1 53 . 1 1 5 5 THR CA C 13 61.629 0.036 . 1 . . . . 76 THR CA . 10118 1 54 . 1 1 5 5 THR CB C 13 69.571 0.000 . 1 . . . . 76 THR CB . 10118 1 55 . 1 1 5 5 THR CG2 C 13 20.586 0.001 . 1 . . . . 76 THR CG2 . 10118 1 56 . 1 1 5 5 THR N N 15 115.918 0.000 . 1 . . . . 76 THR N . 10118 1 57 . 1 1 6 6 ASP H H 1 8.477 0.000 . 1 . . . . 77 ASP H . 10118 1 58 . 1 1 6 6 ASP HA H 1 4.772 0.000 . 1 . . . . 77 ASP HA . 10118 1 59 . 1 1 6 6 ASP HB2 H 1 2.842 0.002 . 2 . . . . 77 ASP HB2 . 10118 1 60 . 1 1 6 6 ASP HB3 H 1 2.739 0.003 . 2 . . . . 77 ASP HB3 . 10118 1 61 . 1 1 6 6 ASP CA C 13 53.870 0.001 . 1 . . . . 77 ASP CA . 10118 1 62 . 1 1 6 6 ASP CB C 13 40.815 0.080 . 1 . . . . 77 ASP CB . 10118 1 63 . 1 1 6 6 ASP N N 15 121.708 0.000 . 1 . . . . 77 ASP N . 10118 1 64 . 1 1 7 7 ILE H H 1 8.231 0.000 . 1 . . . . 78 ILE H . 10118 1 65 . 1 1 7 7 ILE HA H 1 4.296 0.002 . 1 . . . . 78 ILE HA . 10118 1 66 . 1 1 7 7 ILE HB H 1 2.036 0.002 . 1 . . . . 78 ILE HB . 10118 1 67 . 1 1 7 7 ILE HG12 H 1 1.558 0.002 . 2 . . . . 78 ILE HG12 . 10118 1 68 . 1 1 7 7 ILE HG13 H 1 1.294 0.003 . 2 . . . . 78 ILE HG13 . 10118 1 69 . 1 1 7 7 ILE HG21 H 1 1.019 0.003 . 1 . . . . 78 ILE HG2 . 10118 1 70 . 1 1 7 7 ILE HG22 H 1 1.019 0.003 . 1 . . . . 78 ILE HG2 . 10118 1 71 . 1 1 7 7 ILE HG23 H 1 1.019 0.003 . 1 . . . . 78 ILE HG2 . 10118 1 72 . 1 1 7 7 ILE HD11 H 1 0.966 0.003 . 1 . . . . 78 ILE HD1 . 10118 1 73 . 1 1 7 7 ILE HD12 H 1 0.966 0.003 . 1 . . . . 78 ILE HD1 . 10118 1 74 . 1 1 7 7 ILE HD13 H 1 0.966 0.003 . 1 . . . . 78 ILE HD1 . 10118 1 75 . 1 1 7 7 ILE CA C 13 61.333 0.062 . 1 . . . . 78 ILE CA . 10118 1 76 . 1 1 7 7 ILE CB C 13 38.216 0.069 . 1 . . . . 78 ILE CB . 10118 1 77 . 1 1 7 7 ILE CG1 C 13 26.826 0.150 . 1 . . . . 78 ILE CG1 . 10118 1 78 . 1 1 7 7 ILE CG2 C 13 17.244 0.100 . 1 . . . . 78 ILE CG2 . 10118 1 79 . 1 1 7 7 ILE CD1 C 13 12.803 0.162 . 1 . . . . 78 ILE CD1 . 10118 1 80 . 1 1 7 7 ILE N N 15 120.181 0.000 . 1 . . . . 78 ILE N . 10118 1 81 . 1 1 8 8 GLY H H 1 8.629 0.001 . 1 . . . . 79 GLY H . 10118 1 82 . 1 1 8 8 GLY HA2 H 1 4.071 0.000 . 1 . . . . 79 GLY HA2 . 10118 1 83 . 1 1 8 8 GLY HA3 H 1 4.071 0.000 . 1 . . . . 79 GLY HA3 . 10118 1 84 . 1 1 8 8 GLY CA C 13 45.114 0.000 . 1 . . . . 79 GLY CA . 10118 1 85 . 1 1 8 8 GLY N N 15 113.727 0.000 . 1 . . . . 79 GLY N . 10118 1 86 . 1 1 9 9 GLY H H 1 8.443 0.002 . 1 . . . . 80 GLY H . 10118 1 87 . 1 1 9 9 GLY HA2 H 1 4.071 0.000 . 1 . . . . 80 GLY HA2 . 10118 1 88 . 1 1 9 9 GLY HA3 H 1 4.071 0.000 . 1 . . . . 80 GLY HA3 . 10118 1 89 . 1 1 9 9 GLY CA C 13 45.114 0.000 . 1 . . . . 80 GLY CA . 10118 1 90 . 1 1 9 9 GLY N N 15 111.025 0.000 . 1 . . . . 80 GLY N . 10118 1 91 . 1 1 10 10 GLY H H 1 8.413 0.001 . 1 . . . . 81 GLY H . 10118 1 92 . 1 1 10 10 GLY HA2 H 1 4.071 0.000 . 1 . . . . 81 GLY HA2 . 10118 1 93 . 1 1 10 10 GLY HA3 H 1 4.071 0.000 . 1 . . . . 81 GLY HA3 . 10118 1 94 . 1 1 10 10 GLY CA C 13 45.114 0.000 . 1 . . . . 81 GLY CA . 10118 1 95 . 1 1 10 10 GLY N N 15 111.119 0.000 . 1 . . . . 81 GLY N . 10118 1 96 . 1 1 11 11 LYS H H 1 8.202 0.001 . 1 . . . . 82 LYS H . 10118 1 97 . 1 1 11 11 LYS HA H 1 4.398 0.002 . 1 . . . . 82 LYS HA . 10118 1 98 . 1 1 11 11 LYS HB2 H 1 1.805 0.002 . 1 . . . . 82 LYS HB2 . 10118 1 99 . 1 1 11 11 LYS HB3 H 1 1.805 0.002 . 1 . . . . 82 LYS HB3 . 10118 1 100 . 1 1 11 11 LYS HG2 H 1 1.421 0.000 . 2 . . . . 82 LYS HG2 . 10118 1 101 . 1 1 11 11 LYS HG3 H 1 1.365 0.001 . 2 . . . . 82 LYS HG3 . 10118 1 102 . 1 1 11 11 LYS HD2 H 1 1.721 0.009 . 1 . . . . 82 LYS HD2 . 10118 1 103 . 1 1 11 11 LYS HD3 H 1 1.721 0.009 . 1 . . . . 82 LYS HD3 . 10118 1 104 . 1 1 11 11 LYS HE2 H 1 3.024 0.001 . 1 . . . . 82 LYS HE2 . 10118 1 105 . 1 1 11 11 LYS HE3 H 1 3.024 0.001 . 1 . . . . 82 LYS HE3 . 10118 1 106 . 1 1 11 11 LYS CA C 13 55.986 0.209 . 1 . . . . 82 LYS CA . 10118 1 107 . 1 1 11 11 LYS CB C 13 32.792 0.018 . 1 . . . . 82 LYS CB . 10118 1 108 . 1 1 11 11 LYS CG C 13 24.221 0.066 . 1 . . . . 82 LYS CG . 10118 1 109 . 1 1 11 11 LYS CD C 13 28.687 0.070 . 1 . . . . 82 LYS CD . 10118 1 110 . 1 1 11 11 LYS CE C 13 41.626 0.067 . 1 . . . . 82 LYS CE . 10118 1 111 . 1 1 11 11 LYS N N 15 119.727 0.000 . 1 . . . . 82 LYS N . 10118 1 112 . 1 1 12 12 TYR H H 1 8.411 0.001 . 1 . . . . 83 TYR H . 10118 1 113 . 1 1 12 12 TYR HA H 1 4.740 0.001 . 1 . . . . 83 TYR HA . 10118 1 114 . 1 1 12 12 TYR HB2 H 1 3.105 0.007 . 2 . . . . 83 TYR HB2 . 10118 1 115 . 1 1 12 12 TYR HB3 H 1 2.996 0.004 . 2 . . . . 83 TYR HB3 . 10118 1 116 . 1 1 12 12 TYR HD1 H 1 7.234 0.003 . 1 . . . . 83 TYR HD1 . 10118 1 117 . 1 1 12 12 TYR HD2 H 1 7.234 0.003 . 1 . . . . 83 TYR HD2 . 10118 1 118 . 1 1 12 12 TYR HE1 H 1 6.992 0.004 . 1 . . . . 83 TYR HE1 . 10118 1 119 . 1 1 12 12 TYR HE2 H 1 6.992 0.004 . 1 . . . . 83 TYR HE2 . 10118 1 120 . 1 1 12 12 TYR CA C 13 57.540 0.029 . 1 . . . . 83 TYR CA . 10118 1 121 . 1 1 12 12 TYR CB C 13 38.272 0.073 . 1 . . . . 83 TYR CB . 10118 1 122 . 1 1 12 12 TYR CD1 C 13 132.975 0.048 . 1 . . . . 83 TYR CD1 . 10118 1 123 . 1 1 12 12 TYR CD2 C 13 132.975 0.048 . 1 . . . . 83 TYR CD2 . 10118 1 124 . 1 1 12 12 TYR CE1 C 13 117.894 0.000 . 1 . . . . 83 TYR CE1 . 10118 1 125 . 1 1 12 12 TYR CE2 C 13 117.894 0.000 . 1 . . . . 83 TYR CE2 . 10118 1 126 . 1 1 12 12 TYR N N 15 119.849 0.000 . 1 . . . . 83 TYR N . 10118 1 127 . 1 1 13 13 THR H H 1 8.021 0.000 . 1 . . . . 84 THR H . 10118 1 128 . 1 1 13 13 THR HA H 1 4.224 0.001 . 1 . . . . 84 THR HA . 10118 1 129 . 1 1 13 13 THR HB H 1 4.240 0.007 . 1 . . . . 84 THR HB . 10118 1 130 . 1 1 13 13 THR HG21 H 1 1.233 0.000 . 1 . . . . 84 THR HG2 . 10118 1 131 . 1 1 13 13 THR HG22 H 1 1.233 0.000 . 1 . . . . 84 THR HG2 . 10118 1 132 . 1 1 13 13 THR HG23 H 1 1.233 0.000 . 1 . . . . 84 THR HG2 . 10118 1 133 . 1 1 13 13 THR CA C 13 62.125 0.056 . 1 . . . . 84 THR CA . 10118 1 134 . 1 1 13 13 THR CB C 13 69.307 0.000 . 1 . . . . 84 THR CB . 10118 1 135 . 1 1 13 13 THR CG2 C 13 21.370 0.000 . 1 . . . . 84 THR CG2 . 10118 1 136 . 1 1 13 13 THR N N 15 115.300 0.000 . 1 . . . . 84 THR N . 10118 1 137 . 1 1 14 14 PHE H H 1 7.965 0.000 . 1 . . . . 85 PHE H . 10118 1 138 . 1 1 14 14 PHE HA H 1 4.556 0.001 . 1 . . . . 85 PHE HA . 10118 1 139 . 1 1 14 14 PHE HB2 H 1 3.248 0.000 . 2 . . . . 85 PHE HB2 . 10118 1 140 . 1 1 14 14 PHE HB3 H 1 3.207 0.000 . 2 . . . . 85 PHE HB3 . 10118 1 141 . 1 1 14 14 PHE HD1 H 1 7.375 0.004 . 1 . . . . 85 PHE HD1 . 10118 1 142 . 1 1 14 14 PHE HD2 H 1 7.375 0.004 . 1 . . . . 85 PHE HD2 . 10118 1 143 . 1 1 14 14 PHE HE1 H 1 7.484 0.006 . 1 . . . . 85 PHE HE1 . 10118 1 144 . 1 1 14 14 PHE HE2 H 1 7.484 0.006 . 1 . . . . 85 PHE HE2 . 10118 1 145 . 1 1 14 14 PHE HZ H 1 7.427 0.004 . 1 . . . . 85 PHE HZ . 10118 1 146 . 1 1 14 14 PHE CA C 13 58.332 0.016 . 1 . . . . 85 PHE CA . 10118 1 147 . 1 1 14 14 PHE CB C 13 38.588 0.000 . 1 . . . . 85 PHE CB . 10118 1 148 . 1 1 14 14 PHE CD1 C 13 131.518 0.002 . 1 . . . . 85 PHE CD1 . 10118 1 149 . 1 1 14 14 PHE CD2 C 13 131.518 0.002 . 1 . . . . 85 PHE CD2 . 10118 1 150 . 1 1 14 14 PHE CE1 C 13 131.410 0.023 . 1 . . . . 85 PHE CE1 . 10118 1 151 . 1 1 14 14 PHE CE2 C 13 131.410 0.023 . 1 . . . . 85 PHE CE2 . 10118 1 152 . 1 1 14 14 PHE CZ C 13 129.803 0.000 . 1 . . . . 85 PHE CZ . 10118 1 153 . 1 1 14 14 PHE N N 15 119.640 0.000 . 1 . . . . 85 PHE N . 10118 1 154 . 1 1 15 15 GLU H H 1 8.257 0.001 . 1 . . . . 86 GLU H . 10118 1 155 . 1 1 15 15 GLU HA H 1 4.307 0.001 . 1 . . . . 86 GLU HA . 10118 1 156 . 1 1 15 15 GLU HB2 H 1 1.989 0.007 . 1 . . . . 86 GLU HB2 . 10118 1 157 . 1 1 15 15 GLU HB3 H 1 1.989 0.007 . 1 . . . . 86 GLU HB3 . 10118 1 158 . 1 1 15 15 GLU HG2 H 1 2.310 0.004 . 2 . . . . 86 GLU HG2 . 10118 1 159 . 1 1 15 15 GLU HG3 H 1 2.243 0.002 . 2 . . . . 86 GLU HG3 . 10118 1 160 . 1 1 15 15 GLU CA C 13 55.736 0.000 . 1 . . . . 86 GLU CA . 10118 1 161 . 1 1 15 15 GLU CB C 13 29.834 0.114 . 1 . . . . 86 GLU CB . 10118 1 162 . 1 1 15 15 GLU CG C 13 35.737 0.067 . 1 . . . . 86 GLU CG . 10118 1 163 . 1 1 15 15 GLU N N 15 120.097 0.000 . 1 . . . . 86 GLU N . 10118 1 164 . 1 1 16 16 LEU H H 1 7.782 0.000 . 1 . . . . 87 LEU H . 10118 1 165 . 1 1 16 16 LEU HA H 1 4.065 0.001 . 1 . . . . 87 LEU HA . 10118 1 166 . 1 1 16 16 LEU HB2 H 1 1.497 0.001 . 2 . . . . 87 LEU HB2 . 10118 1 167 . 1 1 16 16 LEU HB3 H 1 1.157 0.002 . 2 . . . . 87 LEU HB3 . 10118 1 168 . 1 1 16 16 LEU HG H 1 1.362 0.002 . 1 . . . . 87 LEU HG . 10118 1 169 . 1 1 16 16 LEU HD11 H 1 0.466 0.002 . 1 . . . . 87 LEU HD1 . 10118 1 170 . 1 1 16 16 LEU HD12 H 1 0.466 0.002 . 1 . . . . 87 LEU HD1 . 10118 1 171 . 1 1 16 16 LEU HD13 H 1 0.466 0.002 . 1 . . . . 87 LEU HD1 . 10118 1 172 . 1 1 16 16 LEU HD21 H 1 0.133 0.001 . 1 . . . . 87 LEU HD2 . 10118 1 173 . 1 1 16 16 LEU HD22 H 1 0.133 0.001 . 1 . . . . 87 LEU HD2 . 10118 1 174 . 1 1 16 16 LEU HD23 H 1 0.133 0.001 . 1 . . . . 87 LEU HD2 . 10118 1 175 . 1 1 16 16 LEU CA C 13 55.267 0.000 . 1 . . . . 87 LEU CA . 10118 1 176 . 1 1 16 16 LEU CB C 13 43.446 0.070 . 1 . . . . 87 LEU CB . 10118 1 177 . 1 1 16 16 LEU CG C 13 26.714 0.052 . 1 . . . . 87 LEU CG . 10118 1 178 . 1 1 16 16 LEU CD1 C 13 22.540 0.038 . 1 . . . . 87 LEU CD1 . 10118 1 179 . 1 1 16 16 LEU CD2 C 13 24.336 0.025 . 1 . . . . 87 LEU CD2 . 10118 1 180 . 1 1 16 16 LEU N N 15 119.241 0.000 . 1 . . . . 87 LEU N . 10118 1 181 . 1 1 17 17 LYS H H 1 7.654 0.000 . 1 . . . . 88 LYS H . 10118 1 182 . 1 1 17 17 LYS HA H 1 3.525 0.001 . 1 . . . . 88 LYS HA . 10118 1 183 . 1 1 17 17 LYS HB2 H 1 1.822 0.004 . 2 . . . . 88 LYS HB2 . 10118 1 184 . 1 1 17 17 LYS HB3 H 1 1.716 0.004 . 2 . . . . 88 LYS HB3 . 10118 1 185 . 1 1 17 17 LYS HG2 H 1 1.473 0.002 . 2 . . . . 88 LYS HG2 . 10118 1 186 . 1 1 17 17 LYS HG3 H 1 1.242 0.003 . 2 . . . . 88 LYS HG3 . 10118 1 187 . 1 1 17 17 LYS HD2 H 1 1.845 0.000 . 1 . . . . 88 LYS HD2 . 10118 1 188 . 1 1 17 17 LYS HD3 H 1 1.845 0.000 . 1 . . . . 88 LYS HD3 . 10118 1 189 . 1 1 17 17 LYS HE2 H 1 3.141 0.003 . 1 . . . . 88 LYS HE2 . 10118 1 190 . 1 1 17 17 LYS HE3 H 1 3.141 0.003 . 1 . . . . 88 LYS HE3 . 10118 1 191 . 1 1 17 17 LYS CA C 13 59.034 0.050 . 1 . . . . 88 LYS CA . 10118 1 192 . 1 1 17 17 LYS CB C 13 31.338 0.063 . 1 . . . . 88 LYS CB . 10118 1 193 . 1 1 17 17 LYS CG C 13 25.734 0.000 . 1 . . . . 88 LYS CG . 10118 1 194 . 1 1 17 17 LYS CD C 13 29.165 0.029 . 1 . . . . 88 LYS CD . 10118 1 195 . 1 1 17 17 LYS CE C 13 41.382 0.070 . 1 . . . . 88 LYS CE . 10118 1 196 . 1 1 17 17 LYS N N 15 117.707 0.000 . 1 . . . . 88 LYS N . 10118 1 197 . 1 1 18 18 GLY H H 1 9.028 0.001 . 1 . . . . 89 GLY H . 10118 1 198 . 1 1 18 18 GLY HA2 H 1 4.410 0.002 . 2 . . . . 89 GLY HA2 . 10118 1 199 . 1 1 18 18 GLY HA3 H 1 3.786 0.006 . 2 . . . . 89 GLY HA3 . 10118 1 200 . 1 1 18 18 GLY CA C 13 44.750 0.054 . 1 . . . . 89 GLY CA . 10118 1 201 . 1 1 18 18 GLY N N 15 114.370 0.000 . 1 . . . . 89 GLY N . 10118 1 202 . 1 1 19 19 LYS H H 1 7.923 0.000 . 1 . . . . 90 LYS H . 10118 1 203 . 1 1 19 19 LYS HA H 1 4.502 0.002 . 1 . . . . 90 LYS HA . 10118 1 204 . 1 1 19 19 LYS HB2 H 1 2.030 0.003 . 2 . . . . 90 LYS HB2 . 10118 1 205 . 1 1 19 19 LYS HB3 H 1 1.797 0.006 . 2 . . . . 90 LYS HB3 . 10118 1 206 . 1 1 19 19 LYS HG2 H 1 1.515 0.003 . 2 . . . . 90 LYS HG2 . 10118 1 207 . 1 1 19 19 LYS HG3 H 1 1.433 0.002 . 2 . . . . 90 LYS HG3 . 10118 1 208 . 1 1 19 19 LYS HD2 H 1 1.687 0.001 . 1 . . . . 90 LYS HD2 . 10118 1 209 . 1 1 19 19 LYS HD3 H 1 1.687 0.001 . 1 . . . . 90 LYS HD3 . 10118 1 210 . 1 1 19 19 LYS HE2 H 1 3.088 0.003 . 1 . . . . 90 LYS HE2 . 10118 1 211 . 1 1 19 19 LYS HE3 H 1 3.088 0.003 . 1 . . . . 90 LYS HE3 . 10118 1 212 . 1 1 19 19 LYS CA C 13 55.267 0.000 . 1 . . . . 90 LYS CA . 10118 1 213 . 1 1 19 19 LYS CB C 13 32.781 0.081 . 1 . . . . 90 LYS CB . 10118 1 214 . 1 1 19 19 LYS CG C 13 25.738 0.002 . 1 . . . . 90 LYS CG . 10118 1 215 . 1 1 19 19 LYS CD C 13 28.135 0.000 . 1 . . . . 90 LYS CD . 10118 1 216 . 1 1 19 19 LYS CE C 13 41.889 0.079 . 1 . . . . 90 LYS CE . 10118 1 217 . 1 1 19 19 LYS N N 15 118.791 0.000 . 1 . . . . 90 LYS N . 10118 1 218 . 1 1 20 20 VAL H H 1 8.240 0.000 . 1 . . . . 91 VAL H . 10118 1 219 . 1 1 20 20 VAL HA H 1 5.216 0.001 . 1 . . . . 91 VAL HA . 10118 1 220 . 1 1 20 20 VAL HB H 1 2.091 0.000 . 1 . . . . 91 VAL HB . 10118 1 221 . 1 1 20 20 VAL HG11 H 1 1.082 0.001 . 1 . . . . 91 VAL HG1 . 10118 1 222 . 1 1 20 20 VAL HG12 H 1 1.082 0.001 . 1 . . . . 91 VAL HG1 . 10118 1 223 . 1 1 20 20 VAL HG13 H 1 1.082 0.001 . 1 . . . . 91 VAL HG1 . 10118 1 224 . 1 1 20 20 VAL HG21 H 1 1.045 0.001 . 1 . . . . 91 VAL HG2 . 10118 1 225 . 1 1 20 20 VAL HG22 H 1 1.045 0.001 . 1 . . . . 91 VAL HG2 . 10118 1 226 . 1 1 20 20 VAL HG23 H 1 1.045 0.001 . 1 . . . . 91 VAL HG2 . 10118 1 227 . 1 1 20 20 VAL CA C 13 60.395 0.129 . 1 . . . . 91 VAL CA . 10118 1 228 . 1 1 20 20 VAL CB C 13 33.246 0.039 . 1 . . . . 91 VAL CB . 10118 1 229 . 1 1 20 20 VAL CG1 C 13 21.254 0.000 . 1 . . . . 91 VAL CG1 . 10118 1 230 . 1 1 20 20 VAL CG2 C 13 20.823 0.000 . 1 . . . . 91 VAL CG2 . 10118 1 231 . 1 1 20 20 VAL N N 15 117.757 0.000 . 1 . . . . 91 VAL N . 10118 1 232 . 1 1 21 21 GLY H H 1 9.050 0.001 . 1 . . . . 92 GLY H . 10118 1 233 . 1 1 21 21 GLY HA2 H 1 3.804 0.004 . 2 . . . . 92 GLY HA2 . 10118 1 234 . 1 1 21 21 GLY HA3 H 1 4.976 0.002 . 2 . . . . 92 GLY HA3 . 10118 1 235 . 1 1 21 21 GLY CA C 13 44.682 0.017 . 1 . . . . 92 GLY CA . 10118 1 236 . 1 1 21 21 GLY N N 15 113.265 0.000 . 1 . . . . 92 GLY N . 10118 1 237 . 1 1 22 22 LYS H H 1 8.251 0.001 . 1 . . . . 93 LYS H . 10118 1 238 . 1 1 22 22 LYS HA H 1 5.690 0.003 . 1 . . . . 93 LYS HA . 10118 1 239 . 1 1 22 22 LYS HB2 H 1 1.785 0.000 . 2 . . . . 93 LYS HB2 . 10118 1 240 . 1 1 22 22 LYS HB3 H 1 1.746 0.000 . 2 . . . . 93 LYS HB3 . 10118 1 241 . 1 1 22 22 LYS HG2 H 1 1.389 0.001 . 1 . . . . 93 LYS HG2 . 10118 1 242 . 1 1 22 22 LYS HG3 H 1 1.389 0.001 . 1 . . . . 93 LYS HG3 . 10118 1 243 . 1 1 22 22 LYS HD2 H 1 1.746 0.007 . 1 . . . . 93 LYS HD2 . 10118 1 244 . 1 1 22 22 LYS HD3 H 1 1.746 0.007 . 1 . . . . 93 LYS HD3 . 10118 1 245 . 1 1 22 22 LYS HE2 H 1 3.017 0.002 . 1 . . . . 93 LYS HE2 . 10118 1 246 . 1 1 22 22 LYS HE3 H 1 3.017 0.002 . 1 . . . . 93 LYS HE3 . 10118 1 247 . 1 1 22 22 LYS CA C 13 53.827 0.031 . 1 . . . . 93 LYS CA . 10118 1 248 . 1 1 22 22 LYS CB C 13 36.460 0.027 . 1 . . . . 93 LYS CB . 10118 1 249 . 1 1 22 22 LYS CG C 13 24.071 0.045 . 1 . . . . 93 LYS CG . 10118 1 250 . 1 1 22 22 LYS CD C 13 28.993 0.049 . 1 . . . . 93 LYS CD . 10118 1 251 . 1 1 22 22 LYS CE C 13 41.409 0.026 . 1 . . . . 93 LYS CE . 10118 1 252 . 1 1 22 22 LYS N N 15 118.102 0.000 . 1 . . . . 93 LYS N . 10118 1 253 . 1 1 23 23 VAL H H 1 8.843 0.001 . 1 . . . . 94 VAL H . 10118 1 254 . 1 1 23 23 VAL HA H 1 4.191 0.003 . 1 . . . . 94 VAL HA . 10118 1 255 . 1 1 23 23 VAL HB H 1 2.442 0.002 . 1 . . . . 94 VAL HB . 10118 1 256 . 1 1 23 23 VAL HG11 H 1 0.980 0.001 . 1 . . . . 94 VAL HG1 . 10118 1 257 . 1 1 23 23 VAL HG12 H 1 0.980 0.001 . 1 . . . . 94 VAL HG1 . 10118 1 258 . 1 1 23 23 VAL HG13 H 1 0.980 0.001 . 1 . . . . 94 VAL HG1 . 10118 1 259 . 1 1 23 23 VAL HG21 H 1 0.877 0.001 . 1 . . . . 94 VAL HG2 . 10118 1 260 . 1 1 23 23 VAL HG22 H 1 0.877 0.001 . 1 . . . . 94 VAL HG2 . 10118 1 261 . 1 1 23 23 VAL HG23 H 1 0.877 0.001 . 1 . . . . 94 VAL HG2 . 10118 1 262 . 1 1 23 23 VAL CA C 13 64.049 0.054 . 1 . . . . 94 VAL CA . 10118 1 263 . 1 1 23 23 VAL CB C 13 31.382 0.043 . 1 . . . . 94 VAL CB . 10118 1 264 . 1 1 23 23 VAL CG1 C 13 21.550 0.103 . 1 . . . . 94 VAL CG1 . 10118 1 265 . 1 1 23 23 VAL CG2 C 13 22.852 0.086 . 1 . . . . 94 VAL CG2 . 10118 1 266 . 1 1 23 23 VAL N N 15 122.440 0.000 . 1 . . . . 94 VAL N . 10118 1 267 . 1 1 24 24 VAL H H 1 9.101 0.001 . 1 . . . . 95 VAL H . 10118 1 268 . 1 1 24 24 VAL HA H 1 4.840 0.001 . 1 . . . . 95 VAL HA . 10118 1 269 . 1 1 24 24 VAL HB H 1 2.591 0.001 . 1 . . . . 95 VAL HB . 10118 1 270 . 1 1 24 24 VAL HG11 H 1 1.069 0.001 . 1 . . . . 95 VAL HG1 . 10118 1 271 . 1 1 24 24 VAL HG12 H 1 1.069 0.001 . 1 . . . . 95 VAL HG1 . 10118 1 272 . 1 1 24 24 VAL HG13 H 1 1.069 0.001 . 1 . . . . 95 VAL HG1 . 10118 1 273 . 1 1 24 24 VAL HG21 H 1 0.847 0.001 . 1 . . . . 95 VAL HG2 . 10118 1 274 . 1 1 24 24 VAL HG22 H 1 0.847 0.001 . 1 . . . . 95 VAL HG2 . 10118 1 275 . 1 1 24 24 VAL HG23 H 1 0.847 0.001 . 1 . . . . 95 VAL HG2 . 10118 1 276 . 1 1 24 24 VAL CA C 13 61.052 0.024 . 1 . . . . 95 VAL CA . 10118 1 277 . 1 1 24 24 VAL CB C 13 32.822 0.045 . 1 . . . . 95 VAL CB . 10118 1 278 . 1 1 24 24 VAL CG1 C 13 21.403 0.047 . 1 . . . . 95 VAL CG1 . 10118 1 279 . 1 1 24 24 VAL CG2 C 13 17.956 0.041 . 1 . . . . 95 VAL CG2 . 10118 1 280 . 1 1 24 24 VAL N N 15 120.593 0.000 . 1 . . . . 95 VAL N . 10118 1 281 . 1 1 25 25 LYS H H 1 7.984 0.000 . 1 . . . . 96 LYS H . 10118 1 282 . 1 1 25 25 LYS HA H 1 4.535 0.002 . 1 . . . . 96 LYS HA . 10118 1 283 . 1 1 25 25 LYS HB2 H 1 2.034 0.002 . 2 . . . . 96 LYS HB2 . 10118 1 284 . 1 1 25 25 LYS HB3 H 1 1.748 0.007 . 2 . . . . 96 LYS HB3 . 10118 1 285 . 1 1 25 25 LYS HG2 H 1 1.621 0.005 . 2 . . . . 96 LYS HG2 . 10118 1 286 . 1 1 25 25 LYS HG3 H 1 1.434 0.003 . 2 . . . . 96 LYS HG3 . 10118 1 287 . 1 1 25 25 LYS HD2 H 1 1.822 0.016 . 1 . . . . 96 LYS HD2 . 10118 1 288 . 1 1 25 25 LYS HD3 H 1 1.822 0.016 . 1 . . . . 96 LYS HD3 . 10118 1 289 . 1 1 25 25 LYS HE2 H 1 3.094 0.003 . 1 . . . . 96 LYS HE2 . 10118 1 290 . 1 1 25 25 LYS HE3 H 1 3.094 0.003 . 1 . . . . 96 LYS HE3 . 10118 1 291 . 1 1 25 25 LYS CA C 13 57.006 0.036 . 1 . . . . 96 LYS CA . 10118 1 292 . 1 1 25 25 LYS CB C 13 37.031 0.068 . 1 . . . . 96 LYS CB . 10118 1 293 . 1 1 25 25 LYS CG C 13 25.261 0.010 . 1 . . . . 96 LYS CG . 10118 1 294 . 1 1 25 25 LYS CD C 13 28.785 0.103 . 1 . . . . 96 LYS CD . 10118 1 295 . 1 1 25 25 LYS CE C 13 41.790 0.012 . 1 . . . . 96 LYS CE . 10118 1 296 . 1 1 25 25 LYS N N 15 120.781 0.000 . 1 . . . . 96 LYS N . 10118 1 297 . 1 1 26 26 ILE H H 1 9.097 0.000 . 1 . . . . 97 ILE H . 10118 1 298 . 1 1 26 26 ILE HA H 1 4.258 0.006 . 1 . . . . 97 ILE HA . 10118 1 299 . 1 1 26 26 ILE HB H 1 2.006 0.004 . 1 . . . . 97 ILE HB . 10118 1 300 . 1 1 26 26 ILE HG12 H 1 1.673 0.003 . 2 . . . . 97 ILE HG12 . 10118 1 301 . 1 1 26 26 ILE HG13 H 1 1.394 0.002 . 2 . . . . 97 ILE HG13 . 10118 1 302 . 1 1 26 26 ILE HG21 H 1 1.002 0.003 . 1 . . . . 97 ILE HG2 . 10118 1 303 . 1 1 26 26 ILE HG22 H 1 1.002 0.003 . 1 . . . . 97 ILE HG2 . 10118 1 304 . 1 1 26 26 ILE HG23 H 1 1.002 0.003 . 1 . . . . 97 ILE HG2 . 10118 1 305 . 1 1 26 26 ILE HD11 H 1 1.101 0.005 . 1 . . . . 97 ILE HD1 . 10118 1 306 . 1 1 26 26 ILE HD12 H 1 1.101 0.005 . 1 . . . . 97 ILE HD1 . 10118 1 307 . 1 1 26 26 ILE HD13 H 1 1.101 0.005 . 1 . . . . 97 ILE HD1 . 10118 1 308 . 1 1 26 26 ILE CA C 13 62.300 0.065 . 1 . . . . 97 ILE CA . 10118 1 309 . 1 1 26 26 ILE CB C 13 37.917 0.090 . 1 . . . . 97 ILE CB . 10118 1 310 . 1 1 26 26 ILE CG1 C 13 26.931 0.157 . 1 . . . . 97 ILE CG1 . 10118 1 311 . 1 1 26 26 ILE CG2 C 13 17.193 0.079 . 1 . . . . 97 ILE CG2 . 10118 1 312 . 1 1 26 26 ILE CD1 C 13 12.509 0.066 . 1 . . . . 97 ILE CD1 . 10118 1 313 . 1 1 26 26 ILE N N 15 124.781 0.000 . 1 . . . . 97 ILE N . 10118 1 314 . 1 1 27 27 ALA H H 1 7.889 0.000 . 1 . . . . 98 ALA H . 10118 1 315 . 1 1 27 27 ALA HA H 1 4.690 0.001 . 1 . . . . 98 ALA HA . 10118 1 316 . 1 1 27 27 ALA HB1 H 1 0.747 0.002 . 1 . . . . 98 ALA HB . 10118 1 317 . 1 1 27 27 ALA HB2 H 1 0.747 0.002 . 1 . . . . 98 ALA HB . 10118 1 318 . 1 1 27 27 ALA HB3 H 1 0.747 0.002 . 1 . . . . 98 ALA HB . 10118 1 319 . 1 1 27 27 ALA CA C 13 49.645 0.075 . 1 . . . . 98 ALA CA . 10118 1 320 . 1 1 27 27 ALA CB C 13 19.024 0.006 . 1 . . . . 98 ALA CB . 10118 1 321 . 1 1 27 27 ALA N N 15 127.560 0.000 . 1 . . . . 98 ALA N . 10118 1 322 . 1 1 28 28 GLU H H 1 8.741 0.001 . 1 . . . . 99 GLU H . 10118 1 323 . 1 1 28 28 GLU HA H 1 3.875 0.002 . 1 . . . . 99 GLU HA . 10118 1 324 . 1 1 28 28 GLU HB2 H 1 2.161 0.003 . 2 . . . . 99 GLU HB2 . 10118 1 325 . 1 1 28 28 GLU HB3 H 1 2.109 0.004 . 2 . . . . 99 GLU HB3 . 10118 1 326 . 1 1 28 28 GLU HG2 H 1 2.376 0.003 . 1 . . . . 99 GLU HG2 . 10118 1 327 . 1 1 28 28 GLU HG3 H 1 2.376 0.003 . 1 . . . . 99 GLU HG3 . 10118 1 328 . 1 1 28 28 GLU CA C 13 59.026 0.084 . 1 . . . . 99 GLU CA . 10118 1 329 . 1 1 28 28 GLU CB C 13 27.631 0.064 . 1 . . . . 99 GLU CB . 10118 1 330 . 1 1 28 28 GLU CG C 13 35.809 0.047 . 1 . . . . 99 GLU CG . 10118 1 331 . 1 1 28 28 GLU N N 15 118.690 0.000 . 1 . . . . 99 GLU N . 10118 1 332 . 1 1 29 29 ASP H H 1 8.103 0.001 . 1 . . . . 100 ASP H . 10118 1 333 . 1 1 29 29 ASP HA H 1 4.801 0.001 . 1 . . . . 100 ASP HA . 10118 1 334 . 1 1 29 29 ASP HB2 H 1 3.274 0.002 . 2 . . . . 100 ASP HB2 . 10118 1 335 . 1 1 29 29 ASP HB3 H 1 2.772 0.002 . 2 . . . . 100 ASP HB3 . 10118 1 336 . 1 1 29 29 ASP CA C 13 52.476 0.007 . 1 . . . . 100 ASP CA . 10118 1 337 . 1 1 29 29 ASP CB C 13 40.857 0.126 . 1 . . . . 100 ASP CB . 10118 1 338 . 1 1 29 29 ASP N N 15 116.960 0.000 . 1 . . . . 100 ASP N . 10118 1 339 . 1 1 30 30 HIS H H 1 7.379 0.000 . 1 . . . . 101 HIS H . 10118 1 340 . 1 1 30 30 HIS HA H 1 4.721 0.001 . 1 . . . . 101 HIS HA . 10118 1 341 . 1 1 30 30 HIS HB2 H 1 3.148 0.006 . 2 . . . . 101 HIS HB2 . 10118 1 342 . 1 1 30 30 HIS HB3 H 1 2.997 0.005 . 2 . . . . 101 HIS HB3 . 10118 1 343 . 1 1 30 30 HIS HD2 H 1 7.052 0.000 . 1 . . . . 101 HIS HD2 . 10118 1 344 . 1 1 30 30 HIS CA C 13 54.463 0.000 . 1 . . . . 101 HIS CA . 10118 1 345 . 1 1 30 30 HIS CB C 13 28.126 0.133 . 1 . . . . 101 HIS CB . 10118 1 346 . 1 1 30 30 HIS CD2 C 13 119.409 0.000 . 1 . . . . 101 HIS CD2 . 10118 1 347 . 1 1 30 30 HIS N N 15 114.709 0.000 . 1 . . . . 101 HIS N . 10118 1 348 . 1 1 31 31 TYR H H 1 9.163 0.000 . 1 . . . . 102 TYR H . 10118 1 349 . 1 1 31 31 TYR HA H 1 5.130 0.005 . 1 . . . . 102 TYR HA . 10118 1 350 . 1 1 31 31 TYR HB2 H 1 3.267 0.006 . 2 . . . . 102 TYR HB2 . 10118 1 351 . 1 1 31 31 TYR HB3 H 1 2.501 0.005 . 2 . . . . 102 TYR HB3 . 10118 1 352 . 1 1 31 31 TYR HD1 H 1 7.088 0.005 . 1 . . . . 102 TYR HD1 . 10118 1 353 . 1 1 31 31 TYR HD2 H 1 7.088 0.005 . 1 . . . . 102 TYR HD2 . 10118 1 354 . 1 1 31 31 TYR HE1 H 1 7.060 0.004 . 1 . . . . 102 TYR HE1 . 10118 1 355 . 1 1 31 31 TYR HE2 H 1 7.060 0.004 . 1 . . . . 102 TYR HE2 . 10118 1 356 . 1 1 31 31 TYR CA C 13 55.865 0.091 . 1 . . . . 102 TYR CA . 10118 1 357 . 1 1 31 31 TYR CB C 13 41.748 0.044 . 1 . . . . 102 TYR CB . 10118 1 358 . 1 1 31 31 TYR CD1 C 13 132.849 0.001 . 1 . . . . 102 TYR CD1 . 10118 1 359 . 1 1 31 31 TYR CD2 C 13 132.849 0.001 . 1 . . . . 102 TYR CD2 . 10118 1 360 . 1 1 31 31 TYR CE1 C 13 118.635 0.010 . 1 . . . . 102 TYR CE1 . 10118 1 361 . 1 1 31 31 TYR CE2 C 13 118.635 0.010 . 1 . . . . 102 TYR CE2 . 10118 1 362 . 1 1 31 31 TYR N N 15 116.701 0.000 . 1 . . . . 102 TYR N . 10118 1 363 . 1 1 32 32 LEU H H 1 8.882 0.001 . 1 . . . . 103 LEU H . 10118 1 364 . 1 1 32 32 LEU HA H 1 5.716 0.004 . 1 . . . . 103 LEU HA . 10118 1 365 . 1 1 32 32 LEU HB2 H 1 1.727 0.002 . 2 . . . . 103 LEU HB2 . 10118 1 366 . 1 1 32 32 LEU HB3 H 1 1.448 0.003 . 2 . . . . 103 LEU HB3 . 10118 1 367 . 1 1 32 32 LEU HG H 1 1.604 0.002 . 1 . . . . 103 LEU HG . 10118 1 368 . 1 1 32 32 LEU HD11 H 1 1.024 0.000 . 1 . . . . 103 LEU HD1 . 10118 1 369 . 1 1 32 32 LEU HD12 H 1 1.024 0.000 . 1 . . . . 103 LEU HD1 . 10118 1 370 . 1 1 32 32 LEU HD13 H 1 1.024 0.000 . 1 . . . . 103 LEU HD1 . 10118 1 371 . 1 1 32 32 LEU HD21 H 1 0.980 0.000 . 1 . . . . 103 LEU HD2 . 10118 1 372 . 1 1 32 32 LEU HD22 H 1 0.980 0.000 . 1 . . . . 103 LEU HD2 . 10118 1 373 . 1 1 32 32 LEU HD23 H 1 0.980 0.000 . 1 . . . . 103 LEU HD2 . 10118 1 374 . 1 1 32 32 LEU CA C 13 54.024 0.057 . 1 . . . . 103 LEU CA . 10118 1 375 . 1 1 32 32 LEU CB C 13 44.146 0.030 . 1 . . . . 103 LEU CB . 10118 1 376 . 1 1 32 32 LEU CG C 13 26.919 0.051 . 1 . . . . 103 LEU CG . 10118 1 377 . 1 1 32 32 LEU CD1 C 13 24.156 0.000 . 1 . . . . 103 LEU CD1 . 10118 1 378 . 1 1 32 32 LEU CD2 C 13 24.157 0.000 . 1 . . . . 103 LEU CD2 . 10118 1 379 . 1 1 32 32 LEU N N 15 119.494 0.000 . 1 . . . . 103 LEU N . 10118 1 380 . 1 1 33 33 VAL H H 1 9.671 0.001 . 1 . . . . 104 VAL H . 10118 1 381 . 1 1 33 33 VAL HA H 1 5.205 0.001 . 1 . . . . 104 VAL HA . 10118 1 382 . 1 1 33 33 VAL HB H 1 1.821 0.002 . 1 . . . . 104 VAL HB . 10118 1 383 . 1 1 33 33 VAL HG11 H 1 0.862 0.001 . 1 . . . . 104 VAL HG1 . 10118 1 384 . 1 1 33 33 VAL HG12 H 1 0.862 0.001 . 1 . . . . 104 VAL HG1 . 10118 1 385 . 1 1 33 33 VAL HG13 H 1 0.862 0.001 . 1 . . . . 104 VAL HG1 . 10118 1 386 . 1 1 33 33 VAL HG21 H 1 0.722 0.002 . 1 . . . . 104 VAL HG2 . 10118 1 387 . 1 1 33 33 VAL HG22 H 1 0.722 0.002 . 1 . . . . 104 VAL HG2 . 10118 1 388 . 1 1 33 33 VAL HG23 H 1 0.722 0.002 . 1 . . . . 104 VAL HG2 . 10118 1 389 . 1 1 33 33 VAL CA C 13 58.401 0.061 . 1 . . . . 104 VAL CA . 10118 1 390 . 1 1 33 33 VAL CB C 13 34.956 0.039 . 1 . . . . 104 VAL CB . 10118 1 391 . 1 1 33 33 VAL CG1 C 13 21.541 0.104 . 1 . . . . 104 VAL CG1 . 10118 1 392 . 1 1 33 33 VAL CG2 C 13 20.926 0.053 . 1 . . . . 104 VAL CG2 . 10118 1 393 . 1 1 33 33 VAL N N 15 121.051 0.000 . 1 . . . . 104 VAL N . 10118 1 394 . 1 1 34 34 GLU H H 1 9.341 0.001 . 1 . . . . 105 GLU H . 10118 1 395 . 1 1 34 34 GLU HA H 1 5.530 0.001 . 1 . . . . 105 GLU HA . 10118 1 396 . 1 1 34 34 GLU HB2 H 1 2.129 0.012 . 2 . . . . 105 GLU HB2 . 10118 1 397 . 1 1 34 34 GLU HB3 H 1 1.942 0.002 . 2 . . . . 105 GLU HB3 . 10118 1 398 . 1 1 34 34 GLU HG2 H 1 2.115 0.001 . 1 . . . . 105 GLU HG2 . 10118 1 399 . 1 1 34 34 GLU HG3 H 1 2.115 0.001 . 1 . . . . 105 GLU HG3 . 10118 1 400 . 1 1 34 34 GLU CA C 13 54.278 0.024 . 1 . . . . 105 GLU CA . 10118 1 401 . 1 1 34 34 GLU CB C 13 31.723 0.058 . 1 . . . . 105 GLU CB . 10118 1 402 . 1 1 34 34 GLU CG C 13 35.982 0.011 . 1 . . . . 105 GLU CG . 10118 1 403 . 1 1 34 34 GLU N N 15 124.917 0.000 . 1 . . . . 105 GLU N . 10118 1 404 . 1 1 35 35 VAL H H 1 9.381 0.001 . 1 . . . . 106 VAL H . 10118 1 405 . 1 1 35 35 VAL HA H 1 4.498 0.001 . 1 . . . . 106 VAL HA . 10118 1 406 . 1 1 35 35 VAL HB H 1 2.055 0.001 . 1 . . . . 106 VAL HB . 10118 1 407 . 1 1 35 35 VAL HG11 H 1 0.874 0.002 . 1 . . . . 106 VAL HG1 . 10118 1 408 . 1 1 35 35 VAL HG12 H 1 0.874 0.002 . 1 . . . . 106 VAL HG1 . 10118 1 409 . 1 1 35 35 VAL HG13 H 1 0.874 0.002 . 1 . . . . 106 VAL HG1 . 10118 1 410 . 1 1 35 35 VAL HG21 H 1 0.700 0.002 . 1 . . . . 106 VAL HG2 . 10118 1 411 . 1 1 35 35 VAL HG22 H 1 0.700 0.002 . 1 . . . . 106 VAL HG2 . 10118 1 412 . 1 1 35 35 VAL HG23 H 1 0.700 0.002 . 1 . . . . 106 VAL HG2 . 10118 1 413 . 1 1 35 35 VAL CA C 13 61.355 0.021 . 1 . . . . 106 VAL CA . 10118 1 414 . 1 1 35 35 VAL CB C 13 34.117 0.056 . 1 . . . . 106 VAL CB . 10118 1 415 . 1 1 35 35 VAL CG1 C 13 20.687 0.095 . 1 . . . . 106 VAL CG1 . 10118 1 416 . 1 1 35 35 VAL CG2 C 13 20.103 0.123 . 1 . . . . 106 VAL CG2 . 10118 1 417 . 1 1 35 35 VAL N N 15 124.861 0.000 . 1 . . . . 106 VAL N . 10118 1 418 . 1 1 36 36 GLU H H 1 9.886 0.001 . 1 . . . . 107 GLU H . 10118 1 419 . 1 1 36 36 GLU HA H 1 4.031 0.005 . 1 . . . . 107 GLU HA . 10118 1 420 . 1 1 36 36 GLU HB2 H 1 2.459 0.009 . 2 . . . . 107 GLU HB2 . 10118 1 421 . 1 1 36 36 GLU HB3 H 1 2.153 0.004 . 2 . . . . 107 GLU HB3 . 10118 1 422 . 1 1 36 36 GLU HG2 H 1 2.436 0.005 . 1 . . . . 107 GLU HG2 . 10118 1 423 . 1 1 36 36 GLU HG3 H 1 2.436 0.005 . 1 . . . . 107 GLU HG3 . 10118 1 424 . 1 1 36 36 GLU CA C 13 56.773 0.055 . 1 . . . . 107 GLU CA . 10118 1 425 . 1 1 36 36 GLU CB C 13 27.020 0.056 . 1 . . . . 107 GLU CB . 10118 1 426 . 1 1 36 36 GLU CG C 13 36.034 0.078 . 1 . . . . 107 GLU CG . 10118 1 427 . 1 1 36 36 GLU N N 15 124.636 0.000 . 1 . . . . 107 GLU N . 10118 1 428 . 1 1 37 37 GLY H H 1 8.820 0.001 . 1 . . . . 108 GLY H . 10118 1 429 . 1 1 37 37 GLY HA2 H 1 3.748 0.002 . 2 . . . . 108 GLY HA2 . 10118 1 430 . 1 1 37 37 GLY HA3 H 1 4.336 0.000 . 2 . . . . 108 GLY HA3 . 10118 1 431 . 1 1 37 37 GLY CA C 13 45.289 0.009 . 1 . . . . 108 GLY CA . 10118 1 432 . 1 1 37 37 GLY N N 15 107.343 0.000 . 1 . . . . 108 GLY N . 10118 1 433 . 1 1 38 38 ASP H H 1 7.976 0.000 . 1 . . . . 109 ASP H . 10118 1 434 . 1 1 38 38 ASP HA H 1 5.142 0.001 . 1 . . . . 109 ASP HA . 10118 1 435 . 1 1 38 38 ASP HB2 H 1 2.774 0.002 . 2 . . . . 109 ASP HB2 . 10118 1 436 . 1 1 38 38 ASP HB3 H 1 2.466 0.003 . 2 . . . . 109 ASP HB3 . 10118 1 437 . 1 1 38 38 ASP CA C 13 52.336 0.042 . 1 . . . . 109 ASP CA . 10118 1 438 . 1 1 38 38 ASP CB C 13 43.552 0.079 . 1 . . . . 109 ASP CB . 10118 1 439 . 1 1 38 38 ASP N N 15 119.881 0.000 . 1 . . . . 109 ASP N . 10118 1 440 . 1 1 39 39 LYS H H 1 8.626 0.000 . 1 . . . . 110 LYS H . 10118 1 441 . 1 1 39 39 LYS HA H 1 5.153 0.005 . 1 . . . . 110 LYS HA . 10118 1 442 . 1 1 39 39 LYS HB2 H 1 1.799 0.002 . 2 . . . . 110 LYS HB2 . 10118 1 443 . 1 1 39 39 LYS HB3 H 1 1.563 0.005 . 2 . . . . 110 LYS HB3 . 10118 1 444 . 1 1 39 39 LYS HG2 H 1 1.604 0.007 . 2 . . . . 110 LYS HG2 . 10118 1 445 . 1 1 39 39 LYS HG3 H 1 1.307 0.005 . 2 . . . . 110 LYS HG3 . 10118 1 446 . 1 1 39 39 LYS HD2 H 1 1.749 0.000 . 2 . . . . 110 LYS HD2 . 10118 1 447 . 1 1 39 39 LYS HD3 H 1 1.685 0.000 . 2 . . . . 110 LYS HD3 . 10118 1 448 . 1 1 39 39 LYS HE2 H 1 3.074 0.006 . 2 . . . . 110 LYS HE2 . 10118 1 449 . 1 1 39 39 LYS HE3 H 1 3.029 0.001 . 2 . . . . 110 LYS HE3 . 10118 1 450 . 1 1 39 39 LYS CA C 13 55.267 0.000 . 1 . . . . 110 LYS CA . 10118 1 451 . 1 1 39 39 LYS CB C 13 33.671 0.031 . 1 . . . . 110 LYS CB . 10118 1 452 . 1 1 39 39 LYS CG C 13 25.734 0.000 . 1 . . . . 110 LYS CG . 10118 1 453 . 1 1 39 39 LYS CD C 13 28.518 0.000 . 1 . . . . 110 LYS CD . 10118 1 454 . 1 1 39 39 LYS CE C 13 41.474 0.000 . 1 . . . . 110 LYS CE . 10118 1 455 . 1 1 39 39 LYS N N 15 119.081 0.000 . 1 . . . . 110 LYS N . 10118 1 456 . 1 1 40 40 TRP H H 1 9.279 0.000 . 1 . . . . 111 TRP H . 10118 1 457 . 1 1 40 40 TRP HA H 1 4.872 0.008 . 1 . . . . 111 TRP HA . 10118 1 458 . 1 1 40 40 TRP HB2 H 1 3.457 0.006 . 2 . . . . 111 TRP HB2 . 10118 1 459 . 1 1 40 40 TRP HB3 H 1 2.819 0.012 . 2 . . . . 111 TRP HB3 . 10118 1 460 . 1 1 40 40 TRP HD1 H 1 7.196 0.008 . 1 . . . . 111 TRP HD1 . 10118 1 461 . 1 1 40 40 TRP HE1 H 1 10.155 0.001 . 1 . . . . 111 TRP HE1 . 10118 1 462 . 1 1 40 40 TRP HE3 H 1 7.715 0.001 . 1 . . . . 111 TRP HE3 . 10118 1 463 . 1 1 40 40 TRP HZ2 H 1 7.470 0.003 . 1 . . . . 111 TRP HZ2 . 10118 1 464 . 1 1 40 40 TRP HZ3 H 1 7.019 0.001 . 1 . . . . 111 TRP HZ3 . 10118 1 465 . 1 1 40 40 TRP HH2 H 1 7.023 0.000 . 1 . . . . 111 TRP HH2 . 10118 1 466 . 1 1 40 40 TRP CA C 13 55.736 0.000 . 1 . . . . 111 TRP CA . 10118 1 467 . 1 1 40 40 TRP CB C 13 32.737 0.036 . 1 . . . . 111 TRP CB . 10118 1 468 . 1 1 40 40 TRP CD1 C 13 126.703 0.009 . 1 . . . . 111 TRP CD1 . 10118 1 469 . 1 1 40 40 TRP CE3 C 13 120.548 0.000 . 1 . . . . 111 TRP CE3 . 10118 1 470 . 1 1 40 40 TRP CZ2 C 13 114.030 0.022 . 1 . . . . 111 TRP CZ2 . 10118 1 471 . 1 1 40 40 TRP CZ3 C 13 121.247 0.055 . 1 . . . . 111 TRP CZ3 . 10118 1 472 . 1 1 40 40 TRP CH2 C 13 123.821 0.001 . 1 . . . . 111 TRP CH2 . 10118 1 473 . 1 1 40 40 TRP N N 15 122.282 0.000 . 1 . . . . 111 TRP N . 10118 1 474 . 1 1 40 40 TRP NE1 N 15 126.108 0.000 . 1 . . . . 111 TRP NE1 . 10118 1 475 . 1 1 41 41 ILE H H 1 9.173 0.000 . 1 . . . . 112 ILE H . 10118 1 476 . 1 1 41 41 ILE HA H 1 4.572 0.003 . 1 . . . . 112 ILE HA . 10118 1 477 . 1 1 41 41 ILE HB H 1 2.118 0.001 . 1 . . . . 112 ILE HB . 10118 1 478 . 1 1 41 41 ILE HG12 H 1 1.798 0.003 . 2 . . . . 112 ILE HG12 . 10118 1 479 . 1 1 41 41 ILE HG13 H 1 1.225 0.004 . 2 . . . . 112 ILE HG13 . 10118 1 480 . 1 1 41 41 ILE HG21 H 1 0.908 0.002 . 1 . . . . 112 ILE HG2 . 10118 1 481 . 1 1 41 41 ILE HG22 H 1 0.908 0.002 . 1 . . . . 112 ILE HG2 . 10118 1 482 . 1 1 41 41 ILE HG23 H 1 0.908 0.002 . 1 . . . . 112 ILE HG2 . 10118 1 483 . 1 1 41 41 ILE HD11 H 1 0.877 0.002 . 1 . . . . 112 ILE HD1 . 10118 1 484 . 1 1 41 41 ILE HD12 H 1 0.877 0.002 . 1 . . . . 112 ILE HD1 . 10118 1 485 . 1 1 41 41 ILE HD13 H 1 0.877 0.002 . 1 . . . . 112 ILE HD1 . 10118 1 486 . 1 1 41 41 ILE CA C 13 61.905 0.031 . 1 . . . . 112 ILE CA . 10118 1 487 . 1 1 41 41 ILE CB C 13 37.144 0.073 . 1 . . . . 112 ILE CB . 10118 1 488 . 1 1 41 41 ILE CG1 C 13 27.946 0.057 . 1 . . . . 112 ILE CG1 . 10118 1 489 . 1 1 41 41 ILE CG2 C 13 17.349 0.062 . 1 . . . . 112 ILE CG2 . 10118 1 490 . 1 1 41 41 ILE CD1 C 13 12.068 0.046 . 1 . . . . 112 ILE CD1 . 10118 1 491 . 1 1 41 41 ILE N N 15 122.881 0.000 . 1 . . . . 112 ILE N . 10118 1 492 . 1 1 42 42 ALA H H 1 9.085 0.000 . 1 . . . . 113 ALA H . 10118 1 493 . 1 1 42 42 ALA HA H 1 5.891 0.002 . 1 . . . . 113 ALA HA . 10118 1 494 . 1 1 42 42 ALA HB1 H 1 1.355 0.002 . 1 . . . . 113 ALA HB . 10118 1 495 . 1 1 42 42 ALA HB2 H 1 1.355 0.002 . 1 . . . . 113 ALA HB . 10118 1 496 . 1 1 42 42 ALA HB3 H 1 1.355 0.002 . 1 . . . . 113 ALA HB . 10118 1 497 . 1 1 42 42 ALA CA C 13 49.653 0.084 . 1 . . . . 113 ALA CA . 10118 1 498 . 1 1 42 42 ALA CB C 13 25.734 0.000 . 1 . . . . 113 ALA CB . 10118 1 499 . 1 1 42 42 ALA N N 15 124.981 0.000 . 1 . . . . 113 ALA N . 10118 1 500 . 1 1 43 43 TYR H H 1 9.131 0.000 . 1 . . . . 114 TYR H . 10118 1 501 . 1 1 43 43 TYR HA H 1 5.284 0.002 . 1 . . . . 114 TYR HA . 10118 1 502 . 1 1 43 43 TYR HB2 H 1 3.364 0.004 . 2 . . . . 114 TYR HB2 . 10118 1 503 . 1 1 43 43 TYR HB3 H 1 3.030 0.001 . 2 . . . . 114 TYR HB3 . 10118 1 504 . 1 1 43 43 TYR HD1 H 1 7.349 0.001 . 1 . . . . 114 TYR HD1 . 10118 1 505 . 1 1 43 43 TYR HD2 H 1 7.349 0.001 . 1 . . . . 114 TYR HD2 . 10118 1 506 . 1 1 43 43 TYR HE1 H 1 6.832 0.000 . 1 . . . . 114 TYR HE1 . 10118 1 507 . 1 1 43 43 TYR HE2 H 1 6.832 0.000 . 1 . . . . 114 TYR HE2 . 10118 1 508 . 1 1 43 43 TYR CA C 13 55.736 0.000 . 1 . . . . 114 TYR CA . 10118 1 509 . 1 1 43 43 TYR CB C 13 41.192 0.062 . 1 . . . . 114 TYR CB . 10118 1 510 . 1 1 43 43 TYR CD1 C 13 133.184 0.004 . 1 . . . . 114 TYR CD1 . 10118 1 511 . 1 1 43 43 TYR CD2 C 13 133.184 0.004 . 1 . . . . 114 TYR CD2 . 10118 1 512 . 1 1 43 43 TYR CE1 C 13 117.688 0.000 . 1 . . . . 114 TYR CE1 . 10118 1 513 . 1 1 43 43 TYR CE2 C 13 117.688 0.000 . 1 . . . . 114 TYR CE2 . 10118 1 514 . 1 1 43 43 TYR N N 15 118.702 0.000 . 1 . . . . 114 TYR N . 10118 1 515 . 1 1 44 44 SER H H 1 8.981 0.001 . 1 . . . . 115 SER H . 10118 1 516 . 1 1 44 44 SER HA H 1 4.955 0.001 . 1 . . . . 115 SER HA . 10118 1 517 . 1 1 44 44 SER HB2 H 1 3.822 0.003 . 2 . . . . 115 SER HB2 . 10118 1 518 . 1 1 44 44 SER HB3 H 1 3.755 0.008 . 2 . . . . 115 SER HB3 . 10118 1 519 . 1 1 44 44 SER CA C 13 57.264 0.032 . 1 . . . . 115 SER CA . 10118 1 520 . 1 1 44 44 SER CB C 13 65.856 0.010 . 1 . . . . 115 SER CB . 10118 1 521 . 1 1 44 44 SER N N 15 113.937 0.000 . 1 . . . . 115 SER N . 10118 1 522 . 1 1 45 45 ASP H H 1 9.170 0.000 . 1 . . . . 116 ASP H . 10118 1 523 . 1 1 45 45 ASP HA H 1 4.857 0.002 . 1 . . . . 116 ASP HA . 10118 1 524 . 1 1 45 45 ASP HB2 H 1 2.994 0.004 . 2 . . . . 116 ASP HB2 . 10118 1 525 . 1 1 45 45 ASP HB3 H 1 2.784 0.003 . 2 . . . . 116 ASP HB3 . 10118 1 526 . 1 1 45 45 ASP CA C 13 55.267 0.000 . 1 . . . . 116 ASP CA . 10118 1 527 . 1 1 45 45 ASP CB C 13 40.271 0.057 . 1 . . . . 116 ASP CB . 10118 1 528 . 1 1 45 45 ASP N N 15 123.517 0.000 . 1 . . . . 116 ASP N . 10118 1 529 . 1 1 46 46 GLU H H 1 8.302 0.001 . 1 . . . . 117 GLU H . 10118 1 530 . 1 1 46 46 GLU HA H 1 4.604 0.002 . 1 . . . . 117 GLU HA . 10118 1 531 . 1 1 46 46 GLU HB2 H 1 2.116 0.004 . 2 . . . . 117 GLU HB2 . 10118 1 532 . 1 1 46 46 GLU HB3 H 1 1.936 0.001 . 2 . . . . 117 GLU HB3 . 10118 1 533 . 1 1 46 46 GLU HG2 H 1 2.342 0.001 . 2 . . . . 117 GLU HG2 . 10118 1 534 . 1 1 46 46 GLU HG3 H 1 2.276 0.001 . 2 . . . . 117 GLU HG3 . 10118 1 535 . 1 1 46 46 GLU CA C 13 54.264 0.013 . 1 . . . . 117 GLU CA . 10118 1 536 . 1 1 46 46 GLU CB C 13 31.820 0.051 . 1 . . . . 117 GLU CB . 10118 1 537 . 1 1 46 46 GLU CG C 13 36.139 0.000 . 1 . . . . 117 GLU CG . 10118 1 538 . 1 1 46 46 GLU N N 15 118.839 0.000 . 1 . . . . 117 GLU N . 10118 1 539 . 1 1 47 47 LYS H H 1 8.563 0.001 . 1 . . . . 118 LYS H . 10118 1 540 . 1 1 47 47 LYS HA H 1 4.342 0.003 . 1 . . . . 118 LYS HA . 10118 1 541 . 1 1 47 47 LYS HB2 H 1 1.914 0.002 . 1 . . . . 118 LYS HB2 . 10118 1 542 . 1 1 47 47 LYS HB3 H 1 1.914 0.002 . 1 . . . . 118 LYS HB3 . 10118 1 543 . 1 1 47 47 LYS HG2 H 1 1.646 0.001 . 2 . . . . 118 LYS HG2 . 10118 1 544 . 1 1 47 47 LYS HG3 H 1 1.547 0.003 . 2 . . . . 118 LYS HG3 . 10118 1 545 . 1 1 47 47 LYS HD2 H 1 1.845 0.002 . 1 . . . . 118 LYS HD2 . 10118 1 546 . 1 1 47 47 LYS HD3 H 1 1.845 0.002 . 1 . . . . 118 LYS HD3 . 10118 1 547 . 1 1 47 47 LYS HE2 H 1 3.156 0.005 . 1 . . . . 118 LYS HE2 . 10118 1 548 . 1 1 47 47 LYS HE3 H 1 3.156 0.005 . 1 . . . . 118 LYS HE3 . 10118 1 549 . 1 1 47 47 LYS CA C 13 56.158 0.078 . 1 . . . . 118 LYS CA . 10118 1 550 . 1 1 47 47 LYS CB C 13 31.275 0.074 . 1 . . . . 118 LYS CB . 10118 1 551 . 1 1 47 47 LYS CG C 13 24.263 0.041 . 1 . . . . 118 LYS CG . 10118 1 552 . 1 1 47 47 LYS CD C 13 28.590 0.082 . 1 . . . . 118 LYS CD . 10118 1 553 . 1 1 47 47 LYS CE C 13 41.773 0.071 . 1 . . . . 118 LYS CE . 10118 1 554 . 1 1 47 47 LYS N N 15 120.860 0.000 . 1 . . . . 118 LYS N . 10118 1 555 . 1 1 48 48 LEU H H 1 7.610 0.001 . 1 . . . . 119 LEU H . 10118 1 556 . 1 1 48 48 LEU HA H 1 4.608 0.003 . 1 . . . . 119 LEU HA . 10118 1 557 . 1 1 48 48 LEU HB2 H 1 1.189 0.002 . 2 . . . . 119 LEU HB2 . 10118 1 558 . 1 1 48 48 LEU HB3 H 1 1.021 0.005 . 2 . . . . 119 LEU HB3 . 10118 1 559 . 1 1 48 48 LEU HG H 1 1.371 0.004 . 1 . . . . 119 LEU HG . 10118 1 560 . 1 1 48 48 LEU HD11 H 1 0.646 0.002 . 1 . . . . 119 LEU HD1 . 10118 1 561 . 1 1 48 48 LEU HD12 H 1 0.646 0.002 . 1 . . . . 119 LEU HD1 . 10118 1 562 . 1 1 48 48 LEU HD13 H 1 0.646 0.002 . 1 . . . . 119 LEU HD1 . 10118 1 563 . 1 1 48 48 LEU HD21 H 1 -0.041 0.001 . 1 . . . . 119 LEU HD2 . 10118 1 564 . 1 1 48 48 LEU HD22 H 1 -0.041 0.001 . 1 . . . . 119 LEU HD2 . 10118 1 565 . 1 1 48 48 LEU HD23 H 1 -0.041 0.001 . 1 . . . . 119 LEU HD2 . 10118 1 566 . 1 1 48 48 LEU CA C 13 52.707 0.121 . 1 . . . . 119 LEU CA . 10118 1 567 . 1 1 48 48 LEU CB C 13 43.054 0.063 . 1 . . . . 119 LEU CB . 10118 1 568 . 1 1 48 48 LEU CG C 13 25.270 0.012 . 1 . . . . 119 LEU CG . 10118 1 569 . 1 1 48 48 LEU CD1 C 13 22.961 0.062 . 1 . . . . 119 LEU CD1 . 10118 1 570 . 1 1 48 48 LEU CD2 C 13 25.265 0.000 . 1 . . . . 119 LEU CD2 . 10118 1 571 . 1 1 48 48 LEU N N 15 123.650 0.000 . 1 . . . . 119 LEU N . 10118 1 572 . 1 1 49 49 SER H H 1 8.791 0.000 . 1 . . . . 120 SER H . 10118 1 573 . 1 1 49 49 SER HA H 1 4.854 0.001 . 1 . . . . 120 SER HA . 10118 1 574 . 1 1 49 49 SER HB2 H 1 3.922 0.002 . 2 . . . . 120 SER HB2 . 10118 1 575 . 1 1 49 49 SER HB3 H 1 3.708 0.001 . 2 . . . . 120 SER HB3 . 10118 1 576 . 1 1 49 49 SER CA C 13 56.475 0.010 . 1 . . . . 120 SER CA . 10118 1 577 . 1 1 49 49 SER CB C 13 64.822 0.002 . 1 . . . . 120 SER CB . 10118 1 578 . 1 1 49 49 SER N N 15 115.981 0.000 . 1 . . . . 120 SER N . 10118 1 579 . 1 1 50 50 LEU H H 1 8.793 0.000 . 1 . . . . 121 LEU H . 10118 1 580 . 1 1 50 50 LEU HA H 1 3.737 0.001 . 1 . . . . 121 LEU HA . 10118 1 581 . 1 1 50 50 LEU HB2 H 1 1.713 0.000 . 2 . . . . 121 LEU HB2 . 10118 1 582 . 1 1 50 50 LEU HB3 H 1 1.647 0.000 . 2 . . . . 121 LEU HB3 . 10118 1 583 . 1 1 50 50 LEU HG H 1 1.782 0.000 . 1 . . . . 121 LEU HG . 10118 1 584 . 1 1 50 50 LEU HD11 H 1 1.035 0.000 . 1 . . . . 121 LEU HD1 . 10118 1 585 . 1 1 50 50 LEU HD12 H 1 1.035 0.000 . 1 . . . . 121 LEU HD1 . 10118 1 586 . 1 1 50 50 LEU HD13 H 1 1.035 0.000 . 1 . . . . 121 LEU HD1 . 10118 1 587 . 1 1 50 50 LEU HD21 H 1 0.955 0.002 . 1 . . . . 121 LEU HD2 . 10118 1 588 . 1 1 50 50 LEU HD22 H 1 0.955 0.002 . 1 . . . . 121 LEU HD2 . 10118 1 589 . 1 1 50 50 LEU HD23 H 1 0.955 0.002 . 1 . . . . 121 LEU HD2 . 10118 1 590 . 1 1 50 50 LEU CA C 13 56.687 0.074 . 1 . . . . 121 LEU CA . 10118 1 591 . 1 1 50 50 LEU CB C 13 41.147 0.019 . 1 . . . . 121 LEU CB . 10118 1 592 . 1 1 50 50 LEU CG C 13 26.236 0.000 . 1 . . . . 121 LEU CG . 10118 1 593 . 1 1 50 50 LEU CD1 C 13 24.197 0.000 . 1 . . . . 121 LEU CD1 . 10118 1 594 . 1 1 50 50 LEU CD2 C 13 23.534 0.000 . 1 . . . . 121 LEU CD2 . 10118 1 595 . 1 1 50 50 LEU N N 15 121.881 0.000 . 1 . . . . 121 LEU N . 10118 1 596 . 1 1 51 51 GLY H H 1 8.690 0.001 . 1 . . . . 122 GLY H . 10118 1 597 . 1 1 51 51 GLY HA2 H 1 3.639 0.002 . 2 . . . . 122 GLY HA2 . 10118 1 598 . 1 1 51 51 GLY HA3 H 1 4.503 0.002 . 2 . . . . 122 GLY HA3 . 10118 1 599 . 1 1 51 51 GLY CA C 13 44.569 0.012 . 1 . . . . 122 GLY CA . 10118 1 600 . 1 1 51 51 GLY N N 15 113.892 0.000 . 1 . . . . 122 GLY N . 10118 1 601 . 1 1 52 52 ASP H H 1 8.035 0.000 . 1 . . . . 123 ASP H . 10118 1 602 . 1 1 52 52 ASP HA H 1 4.567 0.001 . 1 . . . . 123 ASP HA . 10118 1 603 . 1 1 52 52 ASP HB2 H 1 2.803 0.003 . 2 . . . . 123 ASP HB2 . 10118 1 604 . 1 1 52 52 ASP HB3 H 1 2.404 0.003 . 2 . . . . 123 ASP HB3 . 10118 1 605 . 1 1 52 52 ASP CA C 13 55.736 0.000 . 1 . . . . 123 ASP CA . 10118 1 606 . 1 1 52 52 ASP CB C 13 40.373 0.065 . 1 . . . . 123 ASP CB . 10118 1 607 . 1 1 52 52 ASP N N 15 120.302 0.000 . 1 . . . . 123 ASP N . 10118 1 608 . 1 1 53 53 ARG H H 1 8.831 0.001 . 1 . . . . 124 ARG H . 10118 1 609 . 1 1 53 53 ARG HA H 1 5.122 0.003 . 1 . . . . 124 ARG HA . 10118 1 610 . 1 1 53 53 ARG HB2 H 1 1.945 0.007 . 2 . . . . 124 ARG HB2 . 10118 1 611 . 1 1 53 53 ARG HB3 H 1 1.856 0.002 . 2 . . . . 124 ARG HB3 . 10118 1 612 . 1 1 53 53 ARG HG2 H 1 1.972 0.001 . 2 . . . . 124 ARG HG2 . 10118 1 613 . 1 1 53 53 ARG HG3 H 1 1.717 0.002 . 2 . . . . 124 ARG HG3 . 10118 1 614 . 1 1 53 53 ARG HD2 H 1 3.358 0.001 . 1 . . . . 124 ARG HD2 . 10118 1 615 . 1 1 53 53 ARG HD3 H 1 3.358 0.001 . 1 . . . . 124 ARG HD3 . 10118 1 616 . 1 1 53 53 ARG CA C 13 55.238 0.058 . 1 . . . . 124 ARG CA . 10118 1 617 . 1 1 53 53 ARG CB C 13 30.554 0.078 . 1 . . . . 124 ARG CB . 10118 1 618 . 1 1 53 53 ARG CG C 13 27.654 0.060 . 1 . . . . 124 ARG CG . 10118 1 619 . 1 1 53 53 ARG CD C 13 43.118 0.033 . 1 . . . . 124 ARG CD . 10118 1 620 . 1 1 53 53 ARG N N 15 120.883 0.000 . 1 . . . . 124 ARG N . 10118 1 621 . 1 1 54 54 VAL H H 1 8.588 0.000 . 1 . . . . 125 VAL H . 10118 1 622 . 1 1 54 54 VAL HA H 1 5.309 0.002 . 1 . . . . 125 VAL HA . 10118 1 623 . 1 1 54 54 VAL HB H 1 1.873 0.004 . 1 . . . . 125 VAL HB . 10118 1 624 . 1 1 54 54 VAL HG11 H 1 0.622 0.003 . 1 . . . . 125 VAL HG1 . 10118 1 625 . 1 1 54 54 VAL HG12 H 1 0.622 0.003 . 1 . . . . 125 VAL HG1 . 10118 1 626 . 1 1 54 54 VAL HG13 H 1 0.622 0.003 . 1 . . . . 125 VAL HG1 . 10118 1 627 . 1 1 54 54 VAL HG21 H 1 0.472 0.001 . 1 . . . . 125 VAL HG2 . 10118 1 628 . 1 1 54 54 VAL HG22 H 1 0.472 0.001 . 1 . . . . 125 VAL HG2 . 10118 1 629 . 1 1 54 54 VAL HG23 H 1 0.472 0.001 . 1 . . . . 125 VAL HG2 . 10118 1 630 . 1 1 54 54 VAL CA C 13 56.925 0.143 . 1 . . . . 125 VAL CA . 10118 1 631 . 1 1 54 54 VAL CB C 13 35.755 0.025 . 1 . . . . 125 VAL CB . 10118 1 632 . 1 1 54 54 VAL CG1 C 13 22.423 0.076 . 1 . . . . 125 VAL CG1 . 10118 1 633 . 1 1 54 54 VAL CG2 C 13 17.354 0.085 . 1 . . . . 125 VAL CG2 . 10118 1 634 . 1 1 54 54 VAL N N 15 114.521 0.000 . 1 . . . . 125 VAL N . 10118 1 635 . 1 1 55 55 MET H H 1 9.219 0.000 . 1 . . . . 126 MET H . 10118 1 636 . 1 1 55 55 MET HA H 1 5.316 0.002 . 1 . . . . 126 MET HA . 10118 1 637 . 1 1 55 55 MET HB2 H 1 1.925 0.000 . 2 . . . . 126 MET HB2 . 10118 1 638 . 1 1 55 55 MET HB3 H 1 1.866 0.001 . 2 . . . . 126 MET HB3 . 10118 1 639 . 1 1 55 55 MET HG2 H 1 2.399 0.005 . 2 . . . . 126 MET HG2 . 10118 1 640 . 1 1 55 55 MET HG3 H 1 2.273 0.001 . 2 . . . . 126 MET HG3 . 10118 1 641 . 1 1 55 55 MET HE1 H 1 2.096 0.001 . 1 . . . . 126 MET HE . 10118 1 642 . 1 1 55 55 MET HE2 H 1 2.096 0.001 . 1 . . . . 126 MET HE . 10118 1 643 . 1 1 55 55 MET HE3 H 1 2.096 0.001 . 1 . . . . 126 MET HE . 10118 1 644 . 1 1 55 55 MET CA C 13 52.544 0.042 . 1 . . . . 126 MET CA . 10118 1 645 . 1 1 55 55 MET CB C 13 35.631 0.003 . 1 . . . . 126 MET CB . 10118 1 646 . 1 1 55 55 MET CG C 13 30.564 0.063 . 1 . . . . 126 MET CG . 10118 1 647 . 1 1 55 55 MET CE C 13 15.990 0.000 . 1 . . . . 126 MET CE . 10118 1 648 . 1 1 55 55 MET N N 15 118.992 0.000 . 1 . . . . 126 MET N . 10118 1 649 . 1 1 56 56 VAL H H 1 8.873 0.000 . 1 . . . . 127 VAL H . 10118 1 650 . 1 1 56 56 VAL HA H 1 4.098 0.003 . 1 . . . . 127 VAL HA . 10118 1 651 . 1 1 56 56 VAL HB H 1 2.554 0.001 . 1 . . . . 127 VAL HB . 10118 1 652 . 1 1 56 56 VAL HG11 H 1 0.769 0.009 . 1 . . . . 127 VAL HG1 . 10118 1 653 . 1 1 56 56 VAL HG12 H 1 0.769 0.009 . 1 . . . . 127 VAL HG1 . 10118 1 654 . 1 1 56 56 VAL HG13 H 1 0.769 0.009 . 1 . . . . 127 VAL HG1 . 10118 1 655 . 1 1 56 56 VAL HG21 H 1 0.769 0.009 . 1 . . . . 127 VAL HG2 . 10118 1 656 . 1 1 56 56 VAL HG22 H 1 0.769 0.009 . 1 . . . . 127 VAL HG2 . 10118 1 657 . 1 1 56 56 VAL HG23 H 1 0.769 0.009 . 1 . . . . 127 VAL HG2 . 10118 1 658 . 1 1 56 56 VAL CA C 13 63.279 0.118 . 1 . . . . 127 VAL CA . 10118 1 659 . 1 1 56 56 VAL CB C 13 30.706 0.025 . 1 . . . . 127 VAL CB . 10118 1 660 . 1 1 56 56 VAL CG1 C 13 22.540 0.086 . 1 . . . . 127 VAL CG1 . 10118 1 661 . 1 1 56 56 VAL CG2 C 13 20.617 0.120 . 1 . . . . 127 VAL CG2 . 10118 1 662 . 1 1 56 56 VAL N N 15 123.151 0.000 . 1 . . . . 127 VAL N . 10118 1 663 . 1 1 57 57 VAL H H 1 9.247 0.000 . 1 . . . . 128 VAL H . 10118 1 664 . 1 1 57 57 VAL HA H 1 4.461 0.001 . 1 . . . . 128 VAL HA . 10118 1 665 . 1 1 57 57 VAL HB H 1 2.202 0.001 . 1 . . . . 128 VAL HB . 10118 1 666 . 1 1 57 57 VAL HG11 H 1 0.997 0.000 . 1 . . . . 128 VAL HG1 . 10118 1 667 . 1 1 57 57 VAL HG12 H 1 0.997 0.000 . 1 . . . . 128 VAL HG1 . 10118 1 668 . 1 1 57 57 VAL HG13 H 1 0.997 0.000 . 1 . . . . 128 VAL HG1 . 10118 1 669 . 1 1 57 57 VAL HG21 H 1 0.869 0.001 . 1 . . . . 128 VAL HG2 . 10118 1 670 . 1 1 57 57 VAL HG22 H 1 0.869 0.001 . 1 . . . . 128 VAL HG2 . 10118 1 671 . 1 1 57 57 VAL HG23 H 1 0.869 0.001 . 1 . . . . 128 VAL HG2 . 10118 1 672 . 1 1 57 57 VAL CA C 13 61.977 0.063 . 1 . . . . 128 VAL CA . 10118 1 673 . 1 1 57 57 VAL CB C 13 32.409 0.036 . 1 . . . . 128 VAL CB . 10118 1 674 . 1 1 57 57 VAL CG1 C 13 21.217 0.068 . 1 . . . . 128 VAL CG1 . 10118 1 675 . 1 1 57 57 VAL CG2 C 13 19.102 0.061 . 1 . . . . 128 VAL CG2 . 10118 1 676 . 1 1 57 57 VAL N N 15 124.089 0.000 . 1 . . . . 128 VAL N . 10118 1 677 . 1 1 58 58 ASP H H 1 8.087 0.000 . 1 . . . . 129 ASP H . 10118 1 678 . 1 1 58 58 ASP HA H 1 4.872 0.000 . 1 . . . . 129 ASP HA . 10118 1 679 . 1 1 58 58 ASP HB2 H 1 2.751 0.002 . 2 . . . . 129 ASP HB2 . 10118 1 680 . 1 1 58 58 ASP HB3 H 1 2.595 0.001 . 2 . . . . 129 ASP HB3 . 10118 1 681 . 1 1 58 58 ASP CA C 13 53.157 0.011 . 1 . . . . 129 ASP CA . 10118 1 682 . 1 1 58 58 ASP CB C 13 43.995 0.076 . 1 . . . . 129 ASP CB . 10118 1 683 . 1 1 58 58 ASP N N 15 117.519 0.000 . 1 . . . . 129 ASP N . 10118 1 684 . 1 1 59 59 VAL H H 1 8.684 0.001 . 1 . . . . 130 VAL H . 10118 1 685 . 1 1 59 59 VAL HA H 1 4.550 0.002 . 1 . . . . 130 VAL HA . 10118 1 686 . 1 1 59 59 VAL HB H 1 1.961 0.001 . 1 . . . . 130 VAL HB . 10118 1 687 . 1 1 59 59 VAL HG11 H 1 0.872 0.003 . 1 . . . . 130 VAL HG1 . 10118 1 688 . 1 1 59 59 VAL HG12 H 1 0.872 0.003 . 1 . . . . 130 VAL HG1 . 10118 1 689 . 1 1 59 59 VAL HG13 H 1 0.872 0.003 . 1 . . . . 130 VAL HG1 . 10118 1 690 . 1 1 59 59 VAL HG21 H 1 0.779 0.002 . 1 . . . . 130 VAL HG2 . 10118 1 691 . 1 1 59 59 VAL HG22 H 1 0.779 0.002 . 1 . . . . 130 VAL HG2 . 10118 1 692 . 1 1 59 59 VAL HG23 H 1 0.779 0.002 . 1 . . . . 130 VAL HG2 . 10118 1 693 . 1 1 59 59 VAL CA C 13 61.252 0.038 . 1 . . . . 130 VAL CA . 10118 1 694 . 1 1 59 59 VAL CB C 13 34.217 0.016 . 1 . . . . 130 VAL CB . 10118 1 695 . 1 1 59 59 VAL CG1 C 13 20.534 0.125 . 1 . . . . 130 VAL CG1 . 10118 1 696 . 1 1 59 59 VAL CG2 C 13 20.526 0.211 . 1 . . . . 130 VAL CG2 . 10118 1 697 . 1 1 59 59 VAL N N 15 119.043 0.000 . 1 . . . . 130 VAL N . 10118 1 698 . 1 1 60 60 ASP H H 1 8.920 0.001 . 1 . . . . 131 ASP H . 10118 1 699 . 1 1 60 60 ASP HA H 1 4.969 0.001 . 1 . . . . 131 ASP HA . 10118 1 700 . 1 1 60 60 ASP HB2 H 1 2.844 0.001 . 2 . . . . 131 ASP HB2 . 10118 1 701 . 1 1 60 60 ASP HB3 H 1 2.634 0.003 . 2 . . . . 131 ASP HB3 . 10118 1 702 . 1 1 60 60 ASP CA C 13 52.055 0.003 . 1 . . . . 131 ASP CA . 10118 1 703 . 1 1 60 60 ASP CB C 13 41.206 0.020 . 1 . . . . 131 ASP CB . 10118 1 704 . 1 1 60 60 ASP N N 15 124.707 0.000 . 1 . . . . 131 ASP N . 10118 1 705 . 1 1 61 61 GLY H H 1 8.883 0.001 . 1 . . . . 132 GLY H . 10118 1 706 . 1 1 61 61 GLY HA2 H 1 3.730 0.001 . 2 . . . . 132 GLY HA2 . 10118 1 707 . 1 1 61 61 GLY HA3 H 1 4.160 0.002 . 2 . . . . 132 GLY HA3 . 10118 1 708 . 1 1 61 61 GLY CA C 13 46.989 0.015 . 1 . . . . 132 GLY CA . 10118 1 709 . 1 1 61 61 GLY N N 15 115.333 0.000 . 1 . . . . 132 GLY N . 10118 1 710 . 1 1 62 62 LEU H H 1 8.858 0.000 . 1 . . . . 133 LEU H . 10118 1 711 . 1 1 62 62 LEU HA H 1 4.621 0.007 . 1 . . . . 133 LEU HA . 10118 1 712 . 1 1 62 62 LEU HB2 H 1 1.946 0.002 . 2 . . . . 133 LEU HB2 . 10118 1 713 . 1 1 62 62 LEU HB3 H 1 1.780 0.006 . 2 . . . . 133 LEU HB3 . 10118 1 714 . 1 1 62 62 LEU HG H 1 1.788 0.002 . 1 . . . . 133 LEU HG . 10118 1 715 . 1 1 62 62 LEU HD11 H 1 1.037 0.001 . 1 . . . . 133 LEU HD1 . 10118 1 716 . 1 1 62 62 LEU HD12 H 1 1.037 0.001 . 1 . . . . 133 LEU HD1 . 10118 1 717 . 1 1 62 62 LEU HD13 H 1 1.037 0.001 . 1 . . . . 133 LEU HD1 . 10118 1 718 . 1 1 62 62 LEU HD21 H 1 0.990 0.003 . 1 . . . . 133 LEU HD2 . 10118 1 719 . 1 1 62 62 LEU HD22 H 1 0.990 0.003 . 1 . . . . 133 LEU HD2 . 10118 1 720 . 1 1 62 62 LEU HD23 H 1 0.990 0.003 . 1 . . . . 133 LEU HD2 . 10118 1 721 . 1 1 62 62 LEU CA C 13 54.227 0.039 . 1 . . . . 133 LEU CA . 10118 1 722 . 1 1 62 62 LEU CB C 13 41.516 0.033 . 1 . . . . 133 LEU CB . 10118 1 723 . 1 1 62 62 LEU CG C 13 26.661 0.073 . 1 . . . . 133 LEU CG . 10118 1 724 . 1 1 62 62 LEU CD1 C 13 24.700 0.124 . 1 . . . . 133 LEU CD1 . 10118 1 725 . 1 1 62 62 LEU CD2 C 13 22.831 0.053 . 1 . . . . 133 LEU CD2 . 10118 1 726 . 1 1 62 62 LEU N N 15 124.608 0.000 . 1 . . . . 133 LEU N . 10118 1 727 . 1 1 63 63 LYS H H 1 8.007 0.001 . 1 . . . . 134 LYS H . 10118 1 728 . 1 1 63 63 LYS HA H 1 5.058 0.003 . 1 . . . . 134 LYS HA . 10118 1 729 . 1 1 63 63 LYS HB2 H 1 2.193 0.002 . 2 . . . . 134 LYS HB2 . 10118 1 730 . 1 1 63 63 LYS HB3 H 1 1.868 0.003 . 2 . . . . 134 LYS HB3 . 10118 1 731 . 1 1 63 63 LYS HG2 H 1 1.650 0.002 . 2 . . . . 134 LYS HG2 . 10118 1 732 . 1 1 63 63 LYS HG3 H 1 1.539 0.005 . 2 . . . . 134 LYS HG3 . 10118 1 733 . 1 1 63 63 LYS HD2 H 1 1.736 0.002 . 1 . . . . 134 LYS HD2 . 10118 1 734 . 1 1 63 63 LYS HD3 H 1 1.736 0.002 . 1 . . . . 134 LYS HD3 . 10118 1 735 . 1 1 63 63 LYS HE2 H 1 3.003 0.002 . 1 . . . . 134 LYS HE2 . 10118 1 736 . 1 1 63 63 LYS HE3 H 1 3.003 0.002 . 1 . . . . 134 LYS HE3 . 10118 1 737 . 1 1 63 63 LYS CA C 13 54.937 0.046 . 1 . . . . 134 LYS CA . 10118 1 738 . 1 1 63 63 LYS CB C 13 34.283 0.074 . 1 . . . . 134 LYS CB . 10118 1 739 . 1 1 63 63 LYS CG C 13 24.305 0.053 . 1 . . . . 134 LYS CG . 10118 1 740 . 1 1 63 63 LYS CD C 13 29.080 0.058 . 1 . . . . 134 LYS CD . 10118 1 741 . 1 1 63 63 LYS CE C 13 41.531 0.063 . 1 . . . . 134 LYS CE . 10118 1 742 . 1 1 63 63 LYS N N 15 117.533 0.000 . 1 . . . . 134 LYS N . 10118 1 743 . 1 1 64 64 LEU H H 1 9.199 0.001 . 1 . . . . 135 LEU H . 10118 1 744 . 1 1 64 64 LEU HA H 1 4.991 0.002 . 1 . . . . 135 LEU HA . 10118 1 745 . 1 1 64 64 LEU HB2 H 1 1.852 0.006 . 2 . . . . 135 LEU HB2 . 10118 1 746 . 1 1 64 64 LEU HB3 H 1 1.407 0.002 . 2 . . . . 135 LEU HB3 . 10118 1 747 . 1 1 64 64 LEU HG H 1 1.902 0.003 . 1 . . . . 135 LEU HG . 10118 1 748 . 1 1 64 64 LEU HD11 H 1 0.461 0.002 . 1 . . . . 135 LEU HD1 . 10118 1 749 . 1 1 64 64 LEU HD12 H 1 0.461 0.002 . 1 . . . . 135 LEU HD1 . 10118 1 750 . 1 1 64 64 LEU HD13 H 1 0.461 0.002 . 1 . . . . 135 LEU HD1 . 10118 1 751 . 1 1 64 64 LEU HD21 H 1 0.415 0.002 . 1 . . . . 135 LEU HD2 . 10118 1 752 . 1 1 64 64 LEU HD22 H 1 0.415 0.002 . 1 . . . . 135 LEU HD2 . 10118 1 753 . 1 1 64 64 LEU HD23 H 1 0.415 0.002 . 1 . . . . 135 LEU HD2 . 10118 1 754 . 1 1 64 64 LEU CA C 13 53.238 0.083 . 1 . . . . 135 LEU CA . 10118 1 755 . 1 1 64 64 LEU CB C 13 43.544 0.049 . 1 . . . . 135 LEU CB . 10118 1 756 . 1 1 64 64 LEU CG C 13 26.739 0.062 . 1 . . . . 135 LEU CG . 10118 1 757 . 1 1 64 64 LEU CD1 C 13 24.735 0.051 . 1 . . . . 135 LEU CD1 . 10118 1 758 . 1 1 64 64 LEU CD2 C 13 22.755 0.044 . 1 . . . . 135 LEU CD2 . 10118 1 759 . 1 1 64 64 LEU N N 15 120.064 0.000 . 1 . . . . 135 LEU N . 10118 1 760 . 1 1 65 65 LYS H H 1 8.591 0.001 . 1 . . . . 136 LYS H . 10118 1 761 . 1 1 65 65 LYS HA H 1 5.186 0.003 . 1 . . . . 136 LYS HA . 10118 1 762 . 1 1 65 65 LYS HB2 H 1 1.805 0.004 . 2 . . . . 136 LYS HB2 . 10118 1 763 . 1 1 65 65 LYS HB3 H 1 1.685 0.002 . 2 . . . . 136 LYS HB3 . 10118 1 764 . 1 1 65 65 LYS HG2 H 1 1.351 0.004 . 1 . . . . 136 LYS HG2 . 10118 1 765 . 1 1 65 65 LYS HG3 H 1 1.351 0.004 . 1 . . . . 136 LYS HG3 . 10118 1 766 . 1 1 65 65 LYS HD2 H 1 1.797 0.000 . 1 . . . . 136 LYS HD2 . 10118 1 767 . 1 1 65 65 LYS HD3 H 1 1.797 0.000 . 1 . . . . 136 LYS HD3 . 10118 1 768 . 1 1 65 65 LYS HE2 H 1 3.042 0.001 . 2 . . . . 136 LYS HE2 . 10118 1 769 . 1 1 65 65 LYS HE3 H 1 2.988 0.003 . 2 . . . . 136 LYS HE3 . 10118 1 770 . 1 1 65 65 LYS CA C 13 54.789 0.096 . 1 . . . . 136 LYS CA . 10118 1 771 . 1 1 65 65 LYS CB C 13 33.592 0.026 . 1 . . . . 136 LYS CB . 10118 1 772 . 1 1 65 65 LYS CG C 13 25.265 0.000 . 1 . . . . 136 LYS CG . 10118 1 773 . 1 1 65 65 LYS CD C 13 28.450 0.000 . 1 . . . . 136 LYS CD . 10118 1 774 . 1 1 65 65 LYS N N 15 121.364 0.000 . 1 . . . . 136 LYS N . 10118 1 775 . 1 1 66 66 VAL H H 1 8.811 0.000 . 1 . . . . 137 VAL H . 10118 1 776 . 1 1 66 66 VAL HA H 1 5.805 0.002 . 1 . . . . 137 VAL HA . 10118 1 777 . 1 1 66 66 VAL HB H 1 2.021 0.001 . 1 . . . . 137 VAL HB . 10118 1 778 . 1 1 66 66 VAL HG11 H 1 0.807 0.001 . 1 . . . . 137 VAL HG1 . 10118 1 779 . 1 1 66 66 VAL HG12 H 1 0.807 0.001 . 1 . . . . 137 VAL HG1 . 10118 1 780 . 1 1 66 66 VAL HG13 H 1 0.807 0.001 . 1 . . . . 137 VAL HG1 . 10118 1 781 . 1 1 66 66 VAL HG21 H 1 0.617 0.001 . 1 . . . . 137 VAL HG2 . 10118 1 782 . 1 1 66 66 VAL HG22 H 1 0.617 0.001 . 1 . . . . 137 VAL HG2 . 10118 1 783 . 1 1 66 66 VAL HG23 H 1 0.617 0.001 . 1 . . . . 137 VAL HG2 . 10118 1 784 . 1 1 66 66 VAL CA C 13 57.563 0.123 . 1 . . . . 137 VAL CA . 10118 1 785 . 1 1 66 66 VAL CB C 13 35.480 0.046 . 1 . . . . 137 VAL CB . 10118 1 786 . 1 1 66 66 VAL CG1 C 13 21.356 0.068 . 1 . . . . 137 VAL CG1 . 10118 1 787 . 1 1 66 66 VAL CG2 C 13 17.713 0.081 . 1 . . . . 137 VAL CG2 . 10118 1 788 . 1 1 66 66 VAL N N 15 116.281 0.000 . 1 . . . . 137 VAL N . 10118 1 789 . 1 1 67 67 LYS H H 1 8.777 0.000 . 1 . . . . 138 LYS H . 10118 1 790 . 1 1 67 67 LYS HA H 1 4.862 0.001 . 1 . . . . 138 LYS HA . 10118 1 791 . 1 1 67 67 LYS HB2 H 1 1.906 0.003 . 2 . . . . 138 LYS HB2 . 10118 1 792 . 1 1 67 67 LYS HB3 H 1 1.819 0.003 . 2 . . . . 138 LYS HB3 . 10118 1 793 . 1 1 67 67 LYS HG2 H 1 1.472 0.002 . 1 . . . . 138 LYS HG2 . 10118 1 794 . 1 1 67 67 LYS HG3 H 1 1.472 0.002 . 1 . . . . 138 LYS HG3 . 10118 1 795 . 1 1 67 67 LYS HD2 H 1 1.812 0.000 . 1 . . . . 138 LYS HD2 . 10118 1 796 . 1 1 67 67 LYS HD3 H 1 1.812 0.000 . 1 . . . . 138 LYS HD3 . 10118 1 797 . 1 1 67 67 LYS HE2 H 1 3.070 0.002 . 1 . . . . 138 LYS HE2 . 10118 1 798 . 1 1 67 67 LYS HE3 H 1 3.070 0.002 . 1 . . . . 138 LYS HE3 . 10118 1 799 . 1 1 67 67 LYS CA C 13 53.973 0.040 . 1 . . . . 138 LYS CA . 10118 1 800 . 1 1 67 67 LYS CB C 13 36.396 0.070 . 1 . . . . 138 LYS CB . 10118 1 801 . 1 1 67 67 LYS CG C 13 23.745 0.052 . 1 . . . . 138 LYS CG . 10118 1 802 . 1 1 67 67 LYS CD C 13 29.091 0.000 . 1 . . . . 138 LYS CD . 10118 1 803 . 1 1 67 67 LYS CE C 13 41.630 0.091 . 1 . . . . 138 LYS CE . 10118 1 804 . 1 1 67 67 LYS N N 15 120.061 0.000 . 1 . . . . 138 LYS N . 10118 1 805 . 1 1 68 68 ARG H H 1 9.504 0.001 . 1 . . . . 139 ARG H . 10118 1 806 . 1 1 68 68 ARG HA H 1 4.392 0.002 . 1 . . . . 139 ARG HA . 10118 1 807 . 1 1 68 68 ARG HB2 H 1 1.876 0.003 . 2 . . . . 139 ARG HB2 . 10118 1 808 . 1 1 68 68 ARG HB3 H 1 1.641 0.006 . 2 . . . . 139 ARG HB3 . 10118 1 809 . 1 1 68 68 ARG HG2 H 1 1.626 0.002 . 2 . . . . 139 ARG HG2 . 10118 1 810 . 1 1 68 68 ARG HG3 H 1 1.531 0.003 . 2 . . . . 139 ARG HG3 . 10118 1 811 . 1 1 68 68 ARG HD2 H 1 3.236 0.002 . 1 . . . . 139 ARG HD2 . 10118 1 812 . 1 1 68 68 ARG HD3 H 1 3.236 0.002 . 1 . . . . 139 ARG HD3 . 10118 1 813 . 1 1 68 68 ARG CA C 13 57.232 0.022 . 1 . . . . 139 ARG CA . 10118 1 814 . 1 1 68 68 ARG CB C 13 30.501 0.055 . 1 . . . . 139 ARG CB . 10118 1 815 . 1 1 68 68 ARG CG C 13 27.997 0.069 . 1 . . . . 139 ARG CG . 10118 1 816 . 1 1 68 68 ARG CD C 13 43.163 0.013 . 1 . . . . 139 ARG CD . 10118 1 817 . 1 1 68 68 ARG N N 15 123.095 0.000 . 1 . . . . 139 ARG N . 10118 1 818 . 1 1 69 69 ILE H H 1 8.277 0.000 . 1 . . . . 140 ILE H . 10118 1 819 . 1 1 69 69 ILE HA H 1 4.599 0.001 . 1 . . . . 140 ILE HA . 10118 1 820 . 1 1 69 69 ILE HB H 1 1.835 0.001 . 1 . . . . 140 ILE HB . 10118 1 821 . 1 1 69 69 ILE HG12 H 1 1.507 0.002 . 2 . . . . 140 ILE HG12 . 10118 1 822 . 1 1 69 69 ILE HG13 H 1 1.030 0.002 . 2 . . . . 140 ILE HG13 . 10118 1 823 . 1 1 69 69 ILE HG21 H 1 0.996 0.001 . 1 . . . . 140 ILE HG2 . 10118 1 824 . 1 1 69 69 ILE HG22 H 1 0.996 0.001 . 1 . . . . 140 ILE HG2 . 10118 1 825 . 1 1 69 69 ILE HG23 H 1 0.996 0.001 . 1 . . . . 140 ILE HG2 . 10118 1 826 . 1 1 69 69 ILE HD11 H 1 0.906 0.002 . 1 . . . . 140 ILE HD1 . 10118 1 827 . 1 1 69 69 ILE HD12 H 1 0.906 0.002 . 1 . . . . 140 ILE HD1 . 10118 1 828 . 1 1 69 69 ILE HD13 H 1 0.906 0.002 . 1 . . . . 140 ILE HD1 . 10118 1 829 . 1 1 69 69 ILE CA C 13 58.442 0.053 . 1 . . . . 140 ILE CA . 10118 1 830 . 1 1 69 69 ILE CB C 13 38.247 0.037 . 1 . . . . 140 ILE CB . 10118 1 831 . 1 1 69 69 ILE CG1 C 13 26.569 0.116 . 1 . . . . 140 ILE CG1 . 10118 1 832 . 1 1 69 69 ILE CG2 C 13 17.158 0.070 . 1 . . . . 140 ILE CG2 . 10118 1 833 . 1 1 69 69 ILE CD1 C 13 13.813 0.106 . 1 . . . . 140 ILE CD1 . 10118 1 834 . 1 1 69 69 ILE N N 15 122.793 0.000 . 1 . . . . 140 ILE N . 10118 1 835 . 1 1 70 70 PRO HA H 1 4.726 0.003 . 1 . . . . 141 PRO HA . 10118 1 836 . 1 1 70 70 PRO HB2 H 1 2.485 0.003 . 2 . . . . 141 PRO HB2 . 10118 1 837 . 1 1 70 70 PRO HB3 H 1 2.006 0.003 . 2 . . . . 141 PRO HB3 . 10118 1 838 . 1 1 70 70 PRO HG2 H 1 2.129 0.044 . 2 . . . . 141 PRO HG2 . 10118 1 839 . 1 1 70 70 PRO HG3 H 1 2.077 0.000 . 2 . . . . 141 PRO HG3 . 10118 1 840 . 1 1 70 70 PRO HD2 H 1 4.011 0.002 . 2 . . . . 141 PRO HD2 . 10118 1 841 . 1 1 70 70 PRO HD3 H 1 3.754 0.003 . 2 . . . . 141 PRO HD3 . 10118 1 842 . 1 1 70 70 PRO CA C 13 61.224 0.054 . 1 . . . . 141 PRO CA . 10118 1 843 . 1 1 70 70 PRO CB C 13 30.555 0.055 . 1 . . . . 141 PRO CB . 10118 1 844 . 1 1 70 70 PRO CG C 13 26.850 0.204 . 1 . . . . 141 PRO CG . 10118 1 845 . 1 1 70 70 PRO CD C 13 50.610 0.087 . 1 . . . . 141 PRO CD . 10118 1 846 . 1 1 71 71 PRO HA H 1 4.525 0.001 . 1 . . . . 142 PRO HA . 10118 1 847 . 1 1 71 71 PRO HB2 H 1 2.438 0.002 . 2 . . . . 142 PRO HB2 . 10118 1 848 . 1 1 71 71 PRO HB3 H 1 2.003 0.003 . 2 . . . . 142 PRO HB3 . 10118 1 849 . 1 1 71 71 PRO HG2 H 1 2.161 0.003 . 1 . . . . 142 PRO HG2 . 10118 1 850 . 1 1 71 71 PRO HG3 H 1 2.161 0.003 . 1 . . . . 142 PRO HG3 . 10118 1 851 . 1 1 71 71 PRO HD2 H 1 3.898 0.003 . 2 . . . . 142 PRO HD2 . 10118 1 852 . 1 1 71 71 PRO HD3 H 1 3.806 0.002 . 2 . . . . 142 PRO HD3 . 10118 1 853 . 1 1 71 71 PRO CA C 13 62.939 0.126 . 1 . . . . 142 PRO CA . 10118 1 854 . 1 1 71 71 PRO CB C 13 31.688 0.068 . 1 . . . . 142 PRO CB . 10118 1 855 . 1 1 71 71 PRO CG C 13 26.952 0.131 . 1 . . . . 142 PRO CG . 10118 1 856 . 1 1 71 71 PRO CD C 13 50.142 0.084 . 1 . . . . 142 PRO CD . 10118 1 857 . 1 1 72 72 GLN H H 1 8.598 0.001 . 1 . . . . 143 GLN H . 10118 1 858 . 1 1 72 72 GLN HA H 1 4.393 0.001 . 1 . . . . 143 GLN HA . 10118 1 859 . 1 1 72 72 GLN HB2 H 1 2.159 0.003 . 2 . . . . 143 GLN HB2 . 10118 1 860 . 1 1 72 72 GLN HB3 H 1 2.074 0.003 . 2 . . . . 143 GLN HB3 . 10118 1 861 . 1 1 72 72 GLN HG2 H 1 2.468 0.001 . 1 . . . . 143 GLN HG2 . 10118 1 862 . 1 1 72 72 GLN HG3 H 1 2.468 0.001 . 1 . . . . 143 GLN HG3 . 10118 1 863 . 1 1 72 72 GLN HE21 H 1 7.695 0.000 . 2 . . . . 143 GLN HE21 . 10118 1 864 . 1 1 72 72 GLN HE22 H 1 7.007 0.001 . 2 . . . . 143 GLN HE22 . 10118 1 865 . 1 1 72 72 GLN CA C 13 55.736 0.000 . 1 . . . . 143 GLN CA . 10118 1 866 . 1 1 72 72 GLN CB C 13 28.934 0.096 . 1 . . . . 143 GLN CB . 10118 1 867 . 1 1 72 72 GLN CG C 13 33.367 0.054 . 1 . . . . 143 GLN CG . 10118 1 868 . 1 1 72 72 GLN N N 15 121.033 0.000 . 1 . . . . 143 GLN N . 10118 1 869 . 1 1 72 72 GLN NE2 N 15 113.950 0.001 . 1 . . . . 143 GLN NE2 . 10118 1 870 . 1 1 73 73 LEU H H 1 8.329 0.001 . 1 . . . . 144 LEU H . 10118 1 871 . 1 1 73 73 LEU HA H 1 4.414 0.002 . 1 . . . . 144 LEU HA . 10118 1 872 . 1 1 73 73 LEU HB2 H 1 1.658 0.007 . 1 . . . . 144 LEU HB2 . 10118 1 873 . 1 1 73 73 LEU HB3 H 1 1.658 0.007 . 1 . . . . 144 LEU HB3 . 10118 1 874 . 1 1 73 73 LEU HG H 1 1.662 0.003 . 1 . . . . 144 LEU HG . 10118 1 875 . 1 1 73 73 LEU HD11 H 1 1.004 0.002 . 1 . . . . 144 LEU HD1 . 10118 1 876 . 1 1 73 73 LEU HD12 H 1 1.004 0.002 . 1 . . . . 144 LEU HD1 . 10118 1 877 . 1 1 73 73 LEU HD13 H 1 1.004 0.002 . 1 . . . . 144 LEU HD1 . 10118 1 878 . 1 1 73 73 LEU HD21 H 1 0.948 0.003 . 1 . . . . 144 LEU HD2 . 10118 1 879 . 1 1 73 73 LEU HD22 H 1 0.948 0.003 . 1 . . . . 144 LEU HD2 . 10118 1 880 . 1 1 73 73 LEU HD23 H 1 0.948 0.003 . 1 . . . . 144 LEU HD2 . 10118 1 881 . 1 1 73 73 LEU CA C 13 54.831 0.091 . 1 . . . . 144 LEU CA . 10118 1 882 . 1 1 73 73 LEU CB C 13 41.946 0.105 . 1 . . . . 144 LEU CB . 10118 1 883 . 1 1 73 73 LEU CG C 13 26.658 0.060 . 1 . . . . 144 LEU CG . 10118 1 884 . 1 1 73 73 LEU CD1 C 13 24.278 0.064 . 1 . . . . 144 LEU CD1 . 10118 1 885 . 1 1 73 73 LEU CD2 C 13 23.002 0.065 . 1 . . . . 144 LEU CD2 . 10118 1 886 . 1 1 73 73 LEU N N 15 121.965 0.000 . 1 . . . . 144 LEU N . 10118 1 887 . 1 1 74 74 GLU H H 1 8.345 0.000 . 1 . . . . 145 GLU H . 10118 1 888 . 1 1 74 74 GLU HA H 1 4.267 0.000 . 1 . . . . 145 GLU HA . 10118 1 889 . 1 1 74 74 GLU HB2 H 1 2.699 0.001 . 1 . . . . 145 GLU HB2 . 10118 1 890 . 1 1 74 74 GLU HB3 H 1 2.699 0.001 . 1 . . . . 145 GLU HB3 . 10118 1 891 . 1 1 74 74 GLU HG2 H 1 2.276 0.001 . 1 . . . . 145 GLU HG2 . 10118 1 892 . 1 1 74 74 GLU HG3 H 1 2.276 0.001 . 1 . . . . 145 GLU HG3 . 10118 1 893 . 1 1 74 74 GLU CA C 13 55.267 0.000 . 1 . . . . 145 GLU CA . 10118 1 894 . 1 1 74 74 GLU CB C 13 30.346 0.034 . 1 . . . . 145 GLU CB . 10118 1 895 . 1 1 74 74 GLU CG C 13 32.511 0.052 . 1 . . . . 145 GLU CG . 10118 1 896 . 1 1 74 74 GLU N N 15 120.493 0.000 . 1 . . . . 145 GLU N . 10118 1 stop_ save_