data_25098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25098 _Entry.Title ; NMR solution structure of copper binding protein in the apo form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-17 _Entry.Accession_date 2014-07-17 _Entry.Last_release_date 2015-07-27 _Entry.Original_release_date 2015-07-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yue Fu . . . 25098 2 Hongwei Wu . . . 25098 3 Kevin Bruce . . . 25098 4 David Giedroc . . . 25098 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25098 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'protein apo form' . 25098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 25098 '15N chemical shifts' 84 25098 '1H chemical shifts' 599 25098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-07-27 . original BMRB . 25098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MRY 'BMRB Entry Tracking System' 25098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Characterization of the structure and dynamics of the copper chaperone CupA ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Yue Fu . . . 25098 1 2 Hongwei Wu . . . 25098 1 3 Kevin Bruce . . . 25098 1 4 David Giedroc . . . 25098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25098 _Assembly.ID 1 _Assembly.Name 'copper binding protein in the apo form' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGQKAQQKNGYQEIRVEV MGGYTPELIVLKKSVPARIV FDRKDPSPCLDQIVFPDFGV HANLPMGEEYVVEITPEQAG EFSFACGMNMMHGKMIVE ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10887.662 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2MRY . "Nmr Solution Structure Of Copper Binding Protein In The Apo Form" . . . . . 100.00 98 100.00 100.00 8.90e-65 . . . . 25098 1 2 no PDB 4F2E . "Crystal Structure Of The Streptococcus Pneumoniae D39 Copper Chaperone Cupa With Cu(i)" . . . . . 100.00 98 100.00 100.00 8.90e-65 . . . . 25098 1 3 no EMBL CAR68500 . "putative exported protein [Streptococcus pneumoniae ATCC 700669]" . . . . . 96.94 123 98.95 98.95 8.08e-62 . . . . 25098 1 4 no EMBL CBW32317 . "putative exported protein [Streptococcus pneumoniae OXC141]" . . . . . 96.94 123 98.95 98.95 8.08e-62 . . . . 25098 1 5 no EMBL CBW34276 . "putative exported protein [Streptococcus pneumoniae INV200]" . . . . . 96.94 123 97.89 97.89 2.86e-61 . . . . 25098 1 6 no EMBL CBW36290 . "putative exported protein [Streptococcus pneumoniae INV104]" . . . . . 96.94 123 97.89 97.89 3.88e-61 . . . . 25098 1 7 no EMBL CCM08344 . "putative exported protein [Streptococcus pneumoniae SPNA45]" . . . . . 96.94 123 97.89 97.89 2.86e-61 . . . . 25098 1 8 no GB AAK74869 . "hypothetical protein SP_0728 [Streptococcus pneumoniae TIGR4]" . . . . . 96.94 123 98.95 98.95 8.08e-62 . . . . 25098 1 9 no GB AAK99444 . "Conserved hypothetical protein [Streptococcus pneumoniae R6]" . . . . . 96.94 123 100.00 100.00 1.14e-62 . . . . 25098 1 10 no GB ABJ54623 . "conserved hypothetical protein [Streptococcus pneumoniae D39]" . . . . . 96.94 123 100.00 100.00 1.14e-62 . . . . 25098 1 11 no GB ACA36045 . "conserved hypothetical protein [Streptococcus pneumoniae Hungary19A-6]" . . . . . 96.94 123 98.95 98.95 8.08e-62 . . . . 25098 1 12 no GB ACB89929 . "hypothetical protein SPCG_0677 [Streptococcus pneumoniae CGSP14]" . . . . . 96.94 123 98.95 98.95 8.08e-62 . . . . 25098 1 13 no REF NP_358234 . "hypothetical protein spr0640 [Streptococcus pneumoniae R6]" . . . . . 96.94 123 100.00 100.00 1.14e-62 . . . . 25098 1 14 no REF WP_000935053 . "ATPase [Streptococcus pneumoniae]" . . . . . 95.92 123 98.94 98.94 6.13e-61 . . . . 25098 1 15 no REF WP_000935062 . "ATPase [Streptococcus pneumoniae]" . . . . . 96.94 123 97.89 98.95 1.33e-61 . . . . 25098 1 16 no REF WP_000935063 . "ATPase [Streptococcus pneumoniae]" . . . . . 96.94 123 97.89 97.89 8.40e-61 . . . . 25098 1 17 no REF WP_000935064 . "ATPase [Streptococcus pneumoniae]" . . . . . 96.94 123 98.95 98.95 8.08e-62 . . . . 25098 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 26 GLY . 25098 1 2 27 ALA . 25098 1 3 28 MET . 25098 1 4 29 GLY . 25098 1 5 30 GLN . 25098 1 6 31 LYS . 25098 1 7 32 ALA . 25098 1 8 33 GLN . 25098 1 9 34 GLN . 25098 1 10 35 LYS . 25098 1 11 36 ASN . 25098 1 12 37 GLY . 25098 1 13 38 TYR . 25098 1 14 39 GLN . 25098 1 15 40 GLU . 25098 1 16 41 ILE . 25098 1 17 42 ARG . 25098 1 18 43 VAL . 25098 1 19 44 GLU . 25098 1 20 45 VAL . 25098 1 21 46 MET . 25098 1 22 47 GLY . 25098 1 23 48 GLY . 25098 1 24 49 TYR . 25098 1 25 50 THR . 25098 1 26 51 PRO . 25098 1 27 52 GLU . 25098 1 28 53 LEU . 25098 1 29 54 ILE . 25098 1 30 55 VAL . 25098 1 31 56 LEU . 25098 1 32 57 LYS . 25098 1 33 58 LYS . 25098 1 34 59 SER . 25098 1 35 60 VAL . 25098 1 36 61 PRO . 25098 1 37 62 ALA . 25098 1 38 63 ARG . 25098 1 39 64 ILE . 25098 1 40 65 VAL . 25098 1 41 66 PHE . 25098 1 42 67 ASP . 25098 1 43 68 ARG . 25098 1 44 69 LYS . 25098 1 45 70 ASP . 25098 1 46 71 PRO . 25098 1 47 72 SER . 25098 1 48 73 PRO . 25098 1 49 74 CYS . 25098 1 50 75 LEU . 25098 1 51 76 ASP . 25098 1 52 77 GLN . 25098 1 53 78 ILE . 25098 1 54 79 VAL . 25098 1 55 80 PHE . 25098 1 56 81 PRO . 25098 1 57 82 ASP . 25098 1 58 83 PHE . 25098 1 59 84 GLY . 25098 1 60 85 VAL . 25098 1 61 86 HIS . 25098 1 62 87 ALA . 25098 1 63 88 ASN . 25098 1 64 89 LEU . 25098 1 65 90 PRO . 25098 1 66 91 MET . 25098 1 67 92 GLY . 25098 1 68 93 GLU . 25098 1 69 94 GLU . 25098 1 70 95 TYR . 25098 1 71 96 VAL . 25098 1 72 97 VAL . 25098 1 73 98 GLU . 25098 1 74 99 ILE . 25098 1 75 100 THR . 25098 1 76 101 PRO . 25098 1 77 102 GLU . 25098 1 78 103 GLN . 25098 1 79 104 ALA . 25098 1 80 105 GLY . 25098 1 81 106 GLU . 25098 1 82 107 PHE . 25098 1 83 108 SER . 25098 1 84 109 PHE . 25098 1 85 110 ALA . 25098 1 86 111 CYS . 25098 1 87 112 GLY . 25098 1 88 113 MET . 25098 1 89 114 ASN . 25098 1 90 115 MET . 25098 1 91 116 MET . 25098 1 92 117 HIS . 25098 1 93 118 GLY . 25098 1 94 119 LYS . 25098 1 95 120 MET . 25098 1 96 121 ILE . 25098 1 97 122 VAL . 25098 1 98 123 GLU . 25098 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25098 1 . ALA 2 2 25098 1 . MET 3 3 25098 1 . GLY 4 4 25098 1 . GLN 5 5 25098 1 . LYS 6 6 25098 1 . ALA 7 7 25098 1 . GLN 8 8 25098 1 . GLN 9 9 25098 1 . LYS 10 10 25098 1 . ASN 11 11 25098 1 . GLY 12 12 25098 1 . TYR 13 13 25098 1 . GLN 14 14 25098 1 . GLU 15 15 25098 1 . ILE 16 16 25098 1 . ARG 17 17 25098 1 . VAL 18 18 25098 1 . GLU 19 19 25098 1 . VAL 20 20 25098 1 . MET 21 21 25098 1 . GLY 22 22 25098 1 . GLY 23 23 25098 1 . TYR 24 24 25098 1 . THR 25 25 25098 1 . PRO 26 26 25098 1 . GLU 27 27 25098 1 . LEU 28 28 25098 1 . ILE 29 29 25098 1 . VAL 30 30 25098 1 . LEU 31 31 25098 1 . LYS 32 32 25098 1 . LYS 33 33 25098 1 . SER 34 34 25098 1 . VAL 35 35 25098 1 . PRO 36 36 25098 1 . ALA 37 37 25098 1 . ARG 38 38 25098 1 . ILE 39 39 25098 1 . VAL 40 40 25098 1 . PHE 41 41 25098 1 . ASP 42 42 25098 1 . ARG 43 43 25098 1 . LYS 44 44 25098 1 . ASP 45 45 25098 1 . PRO 46 46 25098 1 . SER 47 47 25098 1 . PRO 48 48 25098 1 . CYS 49 49 25098 1 . LEU 50 50 25098 1 . ASP 51 51 25098 1 . GLN 52 52 25098 1 . ILE 53 53 25098 1 . VAL 54 54 25098 1 . PHE 55 55 25098 1 . PRO 56 56 25098 1 . ASP 57 57 25098 1 . PHE 58 58 25098 1 . GLY 59 59 25098 1 . VAL 60 60 25098 1 . HIS 61 61 25098 1 . ALA 62 62 25098 1 . ASN 63 63 25098 1 . LEU 64 64 25098 1 . PRO 65 65 25098 1 . MET 66 66 25098 1 . GLY 67 67 25098 1 . GLU 68 68 25098 1 . GLU 69 69 25098 1 . TYR 70 70 25098 1 . VAL 71 71 25098 1 . VAL 72 72 25098 1 . GLU 73 73 25098 1 . ILE 74 74 25098 1 . THR 75 75 25098 1 . PRO 76 76 25098 1 . GLU 77 77 25098 1 . GLN 78 78 25098 1 . ALA 79 79 25098 1 . GLY 80 80 25098 1 . GLU 81 81 25098 1 . PHE 82 82 25098 1 . SER 83 83 25098 1 . PHE 84 84 25098 1 . ALA 85 85 25098 1 . CYS 86 86 25098 1 . GLY 87 87 25098 1 . MET 88 88 25098 1 . ASN 89 89 25098 1 . MET 90 90 25098 1 . MET 91 91 25098 1 . HIS 92 92 25098 1 . GLY 93 93 25098 1 . LYS 94 94 25098 1 . MET 95 95 25098 1 . ILE 96 96 25098 1 . VAL 97 97 25098 1 . GLU 98 98 25098 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 25098 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 1313 organism . 'Streptococcus pneumoniae' firmicutes . . Bacteria . Streptococcus pneumoniae D39 . . . . . . . . . . spd0634 . 25098 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 25098 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pHis . . . 25098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25098 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . . 0.4 0.6 mM . . . . 25098 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25098 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25098 1 4 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 25098 1 5 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 25098 1 6 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 25098 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25098 1 8 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 25098 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25098 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25098 _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 . mM 25098 1 pH 6 . pH 25098 1 pressure 1 . atm 25098 1 temperature 273 . K 25098 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25098 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25098 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25098 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25098 _Software.ID 2 _Software.Name CcpNmr_Analysis _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25098 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25098 2 'peak picking' 25098 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25098 _Software.ID 3 _Software.Name SPARKY _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25098 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25098 3 'peak picking' 25098 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25098 _Software.ID 4 _Software.Name NMRPipe _Software.Version 8.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25098 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25098 4 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 25098 _Software.ID 5 _Software.Name PSVS _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 25098 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 25098 5 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25098 _Software.ID 6 _Software.Name PINE _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 25098 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25098 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25098 _Software.ID 7 _Software.Name X-PLOR_NIH _Software.Version 2.36 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25098 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25098 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _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 25098 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25098 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent VNMRS . 800 . . . 25098 1 2 spectrometer_2 Agilent VNMRS . 600 . . . 25098 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25098 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25098 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 4 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25098 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25098 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25098 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25098 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25098 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25098 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25098 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25098 1 3 '3D CBCA(CO)NH' . . . 25098 1 4 '3D CBCANH' . . . 25098 1 5 '3D HNCO' . . . 25098 1 6 '3D C(CO)NH' . . . 25098 1 7 '3D H(CCO)NH' . . . 25098 1 8 '3D HCCH-TOCSY' . . . 25098 1 9 '3D HCCH-COSY' . . . 25098 1 10 '3D HNHA' . . . 25098 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 3 3 MET H H 1 8.438 0.004 . 1 . . . A 28 MET H . 25098 1 2 . 1 1 3 3 MET HE1 H 1 2.080 0.000 . 1 . . . A 28 MET HE1 . 25098 1 3 . 1 1 3 3 MET HE2 H 1 2.080 0.000 . 1 . . . A 28 MET HE2 . 25098 1 4 . 1 1 3 3 MET HE3 H 1 2.080 0.000 . 1 . . . A 28 MET HE3 . 25098 1 5 . 1 1 3 3 MET N N 15 119.966 0.073 . 1 . . . A 28 MET N . 25098 1 6 . 1 1 4 4 GLY H H 1 8.343 0.005 . 1 . . . A 29 GLY H . 25098 1 7 . 1 1 4 4 GLY HA2 H 1 4.108 0.004 . 2 . . . A 29 GLY HA2 . 25098 1 8 . 1 1 4 4 GLY HA3 H 1 3.684 0.009 . 2 . . . A 29 GLY HA3 . 25098 1 9 . 1 1 4 4 GLY CA C 13 44.803 0.105 . 1 . . . A 29 GLY CA . 25098 1 10 . 1 1 4 4 GLY N N 15 109.326 0.036 . 1 . . . A 29 GLY N . 25098 1 11 . 1 1 5 5 GLN H H 1 8.174 0.003 . 1 . . . A 30 GLN H . 25098 1 12 . 1 1 5 5 GLN HA H 1 4.548 0.009 . 1 . . . A 30 GLN HA . 25098 1 13 . 1 1 5 5 GLN HB3 H 1 2.049 0.013 . 2 . . . A 30 GLN HB3 . 25098 1 14 . 1 1 5 5 GLN CA C 13 54.981 0.000 . 1 . . . A 30 GLN CA . 25098 1 15 . 1 1 5 5 GLN CB C 13 30.824 0.009 . 1 . . . A 30 GLN CB . 25098 1 16 . 1 1 5 5 GLN N N 15 121.171 0.013 . 1 . . . A 30 GLN N . 25098 1 17 . 1 1 6 6 LYS H H 1 8.713 0.009 . 1 . . . A 31 LYS H . 25098 1 18 . 1 1 6 6 LYS HA H 1 4.829 0.010 . 1 . . . A 31 LYS HA . 25098 1 19 . 1 1 6 6 LYS HB2 H 1 1.905 0.003 . 2 . . . A 31 LYS HB2 . 25098 1 20 . 1 1 6 6 LYS HB3 H 1 1.739 0.010 . 2 . . . A 31 LYS HB3 . 25098 1 21 . 1 1 6 6 LYS HG2 H 1 1.579 0.010 . 2 . . . A 31 LYS HG2 . 25098 1 22 . 1 1 6 6 LYS HG3 H 1 1.341 0.013 . 2 . . . A 31 LYS HG3 . 25098 1 23 . 1 1 6 6 LYS HE3 H 1 2.987 0.005 . 2 . . . A 31 LYS HE3 . 25098 1 24 . 1 1 6 6 LYS CA C 13 55.952 0.020 . 1 . . . A 31 LYS CA . 25098 1 25 . 1 1 6 6 LYS CB C 13 33.322 0.056 . 1 . . . A 31 LYS CB . 25098 1 26 . 1 1 6 6 LYS CG C 13 25.633 0.053 . 1 . . . A 31 LYS CG . 25098 1 27 . 1 1 6 6 LYS CE C 13 42.043 0.000 . 1 . . . A 31 LYS CE . 25098 1 28 . 1 1 6 6 LYS N N 15 125.160 0.008 . 1 . . . A 31 LYS N . 25098 1 29 . 1 1 7 7 ALA H H 1 8.152 0.005 . 1 . . . A 32 ALA H . 25098 1 30 . 1 1 7 7 ALA HA H 1 4.125 0.011 . 1 . . . A 32 ALA HA . 25098 1 31 . 1 1 7 7 ALA HB1 H 1 1.205 0.008 . 1 . . . A 32 ALA HB1 . 25098 1 32 . 1 1 7 7 ALA HB2 H 1 1.205 0.008 . 1 . . . A 32 ALA HB2 . 25098 1 33 . 1 1 7 7 ALA HB3 H 1 1.205 0.008 . 1 . . . A 32 ALA HB3 . 25098 1 34 . 1 1 7 7 ALA CA C 13 52.301 0.094 . 1 . . . A 32 ALA CA . 25098 1 35 . 1 1 7 7 ALA CB C 13 18.956 0.040 . 1 . . . A 32 ALA CB . 25098 1 36 . 1 1 7 7 ALA N N 15 123.842 0.014 . 1 . . . A 32 ALA N . 25098 1 37 . 1 1 8 8 GLN H H 1 8.808 0.006 . 1 . . . A 33 GLN H . 25098 1 38 . 1 1 8 8 GLN HA H 1 4.380 0.013 . 1 . . . A 33 GLN HA . 25098 1 39 . 1 1 8 8 GLN HB3 H 1 2.066 0.010 . 2 . . . A 33 GLN HB3 . 25098 1 40 . 1 1 8 8 GLN HG2 H 1 2.352 0.005 . 2 . . . A 33 GLN HG2 . 25098 1 41 . 1 1 8 8 GLN HG3 H 1 2.464 0.012 . 2 . . . A 33 GLN HG3 . 25098 1 42 . 1 1 8 8 GLN CA C 13 55.299 0.024 . 1 . . . A 33 GLN CA . 25098 1 43 . 1 1 8 8 GLN CB C 13 29.835 0.037 . 1 . . . A 33 GLN CB . 25098 1 44 . 1 1 8 8 GLN CG C 13 33.806 0.060 . 1 . . . A 33 GLN CG . 25098 1 45 . 1 1 8 8 GLN N N 15 121.807 0.041 . 1 . . . A 33 GLN N . 25098 1 46 . 1 1 9 9 GLN H H 1 9.025 0.003 . 1 . . . A 34 GLN H . 25098 1 47 . 1 1 9 9 GLN HA H 1 4.212 0.007 . 1 . . . A 34 GLN HA . 25098 1 48 . 1 1 9 9 GLN HB2 H 1 2.133 0.007 . 2 . . . A 34 GLN HB2 . 25098 1 49 . 1 1 9 9 GLN HB3 H 1 1.978 0.009 . 2 . . . A 34 GLN HB3 . 25098 1 50 . 1 1 9 9 GLN HG3 H 1 2.375 0.008 . 2 . . . A 34 GLN HG3 . 25098 1 51 . 1 1 9 9 GLN CA C 13 55.368 0.041 . 1 . . . A 34 GLN CA . 25098 1 52 . 1 1 9 9 GLN CB C 13 27.615 0.013 . 1 . . . A 34 GLN CB . 25098 1 53 . 1 1 9 9 GLN CG C 13 32.957 0.012 . 1 . . . A 34 GLN CG . 25098 1 54 . 1 1 9 9 GLN N N 15 124.320 0.058 . 1 . . . A 34 GLN N . 25098 1 55 . 1 1 10 10 LYS H H 1 8.479 0.007 . 1 . . . A 35 LYS H . 25098 1 56 . 1 1 10 10 LYS HA H 1 4.441 0.006 . 1 . . . A 35 LYS HA . 25098 1 57 . 1 1 10 10 LYS HB2 H 1 1.428 0.005 . 2 . . . A 35 LYS HB2 . 25098 1 58 . 1 1 10 10 LYS HB3 H 1 0.325 0.008 . 2 . . . A 35 LYS HB3 . 25098 1 59 . 1 1 10 10 LYS HG3 H 1 1.016 0.008 . 2 . . . A 35 LYS HG3 . 25098 1 60 . 1 1 10 10 LYS HD2 H 1 1.464 0.013 . 2 . . . A 35 LYS HD2 . 25098 1 61 . 1 1 10 10 LYS HE2 H 1 2.787 0.002 . 2 . . . A 35 LYS HE2 . 25098 1 62 . 1 1 10 10 LYS CA C 13 54.126 0.038 . 1 . . . A 35 LYS CA . 25098 1 63 . 1 1 10 10 LYS CB C 13 31.475 0.030 . 1 . . . A 35 LYS CB . 25098 1 64 . 1 1 10 10 LYS CG C 13 24.932 0.035 . 1 . . . A 35 LYS CG . 25098 1 65 . 1 1 10 10 LYS CD C 13 28.391 0.029 . 1 . . . A 35 LYS CD . 25098 1 66 . 1 1 10 10 LYS CE C 13 42.027 0.040 . 1 . . . A 35 LYS CE . 25098 1 67 . 1 1 10 10 LYS N N 15 126.662 0.012 . 1 . . . A 35 LYS N . 25098 1 68 . 1 1 11 11 ASN H H 1 8.062 0.001 . 1 . . . A 36 ASN H . 25098 1 69 . 1 1 11 11 ASN HA H 1 4.611 0.008 . 1 . . . A 36 ASN HA . 25098 1 70 . 1 1 11 11 ASN HB2 H 1 2.946 0.002 . 2 . . . A 36 ASN HB2 . 25098 1 71 . 1 1 11 11 ASN HB3 H 1 2.695 0.005 . 2 . . . A 36 ASN HB3 . 25098 1 72 . 1 1 11 11 ASN CA C 13 53.478 0.090 . 1 . . . A 36 ASN CA . 25098 1 73 . 1 1 11 11 ASN CB C 13 36.839 0.047 . 1 . . . A 36 ASN CB . 25098 1 74 . 1 1 11 11 ASN N N 15 118.026 0.017 . 1 . . . A 36 ASN N . 25098 1 75 . 1 1 12 12 GLY H H 1 8.285 0.001 . 1 . . . A 37 GLY H . 25098 1 76 . 1 1 12 12 GLY HA2 H 1 4.274 0.004 . 2 . . . A 37 GLY HA2 . 25098 1 77 . 1 1 12 12 GLY HA3 H 1 3.663 0.004 . 2 . . . A 37 GLY HA3 . 25098 1 78 . 1 1 12 12 GLY CA C 13 45.230 0.101 . 1 . . . A 37 GLY CA . 25098 1 79 . 1 1 12 12 GLY N N 15 111.719 0.017 . 1 . . . A 37 GLY N . 25098 1 80 . 1 1 13 13 TYR H H 1 7.158 0.002 . 1 . . . A 38 TYR H . 25098 1 81 . 1 1 13 13 TYR HA H 1 5.107 0.006 . 1 . . . A 38 TYR HA . 25098 1 82 . 1 1 13 13 TYR HB2 H 1 3.025 0.009 . 2 . . . A 38 TYR HB2 . 25098 1 83 . 1 1 13 13 TYR HB3 H 1 2.788 0.009 . 2 . . . A 38 TYR HB3 . 25098 1 84 . 1 1 13 13 TYR HD1 H 1 6.699 0.006 . 3 . . . A 38 TYR HD1 . 25098 1 85 . 1 1 13 13 TYR HD2 H 1 6.699 0.006 . 3 . . . A 38 TYR HD2 . 25098 1 86 . 1 1 13 13 TYR HE1 H 1 6.792 0.003 . 3 . . . A 38 TYR HE1 . 25098 1 87 . 1 1 13 13 TYR HE2 H 1 6.792 0.003 . 3 . . . A 38 TYR HE2 . 25098 1 88 . 1 1 13 13 TYR CA C 13 55.398 0.082 . 1 . . . A 38 TYR CA . 25098 1 89 . 1 1 13 13 TYR CB C 13 39.246 0.043 . 1 . . . A 38 TYR CB . 25098 1 90 . 1 1 13 13 TYR N N 15 114.733 0.020 . 1 . . . A 38 TYR N . 25098 1 91 . 1 1 14 14 GLN H H 1 9.401 0.003 . 1 . . . A 39 GLN H . 25098 1 92 . 1 1 14 14 GLN HA H 1 5.472 0.008 . 1 . . . A 39 GLN HA . 25098 1 93 . 1 1 14 14 GLN HB3 H 1 1.946 0.006 . 2 . . . A 39 GLN HB3 . 25098 1 94 . 1 1 14 14 GLN HG2 H 1 2.556 0.007 . 2 . . . A 39 GLN HG2 . 25098 1 95 . 1 1 14 14 GLN HG3 H 1 1.857 0.005 . 2 . . . A 39 GLN HG3 . 25098 1 96 . 1 1 14 14 GLN CA C 13 52.396 0.010 . 1 . . . A 39 GLN CA . 25098 1 97 . 1 1 14 14 GLN CB C 13 30.812 0.102 . 1 . . . A 39 GLN CB . 25098 1 98 . 1 1 14 14 GLN CG C 13 32.837 0.010 . 1 . . . A 39 GLN CG . 25098 1 99 . 1 1 14 14 GLN N N 15 117.964 0.010 . 1 . . . A 39 GLN N . 25098 1 100 . 1 1 15 15 GLU H H 1 9.027 0.005 . 1 . . . A 40 GLU H . 25098 1 101 . 1 1 15 15 GLU HA H 1 5.809 0.005 . 1 . . . A 40 GLU HA . 25098 1 102 . 1 1 15 15 GLU HB2 H 1 2.056 0.002 . 2 . . . A 40 GLU HB2 . 25098 1 103 . 1 1 15 15 GLU HB3 H 1 1.869 0.011 . 2 . . . A 40 GLU HB3 . 25098 1 104 . 1 1 15 15 GLU HG2 H 1 2.298 0.004 . 2 . . . A 40 GLU HG2 . 25098 1 105 . 1 1 15 15 GLU HG3 H 1 1.981 0.019 . 2 . . . A 40 GLU HG3 . 25098 1 106 . 1 1 15 15 GLU CA C 13 54.574 0.024 . 1 . . . A 40 GLU CA . 25098 1 107 . 1 1 15 15 GLU CB C 13 35.999 0.056 . 1 . . . A 40 GLU CB . 25098 1 108 . 1 1 15 15 GLU CG C 13 37.348 0.056 . 1 . . . A 40 GLU CG . 25098 1 109 . 1 1 15 15 GLU N N 15 123.527 0.091 . 1 . . . A 40 GLU N . 25098 1 110 . 1 1 16 16 ILE H H 1 8.503 0.002 . 1 . . . A 41 ILE H . 25098 1 111 . 1 1 16 16 ILE HA H 1 4.686 0.010 . 1 . . . A 41 ILE HA . 25098 1 112 . 1 1 16 16 ILE HB H 1 1.540 0.015 . 1 . . . A 41 ILE HB . 25098 1 113 . 1 1 16 16 ILE HG12 H 1 1.041 0.007 . 2 . . . A 41 ILE HG12 . 25098 1 114 . 1 1 16 16 ILE HG13 H 1 1.625 0.012 . 2 . . . A 41 ILE HG13 . 25098 1 115 . 1 1 16 16 ILE HG21 H 1 0.729 0.019 . 1 . . . A 41 ILE HG21 . 25098 1 116 . 1 1 16 16 ILE HG22 H 1 0.729 0.019 . 1 . . . A 41 ILE HG22 . 25098 1 117 . 1 1 16 16 ILE HG23 H 1 0.729 0.019 . 1 . . . A 41 ILE HG23 . 25098 1 118 . 1 1 16 16 ILE HD11 H 1 0.777 0.008 . 1 . . . A 41 ILE HD11 . 25098 1 119 . 1 1 16 16 ILE HD12 H 1 0.777 0.008 . 1 . . . A 41 ILE HD12 . 25098 1 120 . 1 1 16 16 ILE HD13 H 1 0.777 0.008 . 1 . . . A 41 ILE HD13 . 25098 1 121 . 1 1 16 16 ILE CA C 13 59.126 0.015 . 1 . . . A 41 ILE CA . 25098 1 122 . 1 1 16 16 ILE CB C 13 42.658 0.023 . 1 . . . A 41 ILE CB . 25098 1 123 . 1 1 16 16 ILE CG1 C 13 28.808 0.076 . 1 . . . A 41 ILE CG1 . 25098 1 124 . 1 1 16 16 ILE CG2 C 13 16.878 0.014 . 1 . . . A 41 ILE CG2 . 25098 1 125 . 1 1 16 16 ILE CD1 C 13 15.345 0.069 . 1 . . . A 41 ILE CD1 . 25098 1 126 . 1 1 16 16 ILE N N 15 124.884 0.018 . 1 . . . A 41 ILE N . 25098 1 127 . 1 1 17 17 ARG H H 1 7.942 0.001 . 1 . . . A 42 ARG H . 25098 1 128 . 1 1 17 17 ARG HA H 1 5.136 0.014 . 1 . . . A 42 ARG HA . 25098 1 129 . 1 1 17 17 ARG HB2 H 1 1.722 0.007 . 2 . . . A 42 ARG HB2 . 25098 1 130 . 1 1 17 17 ARG HB3 H 1 1.627 0.002 . 2 . . . A 42 ARG HB3 . 25098 1 131 . 1 1 17 17 ARG HG2 H 1 1.481 0.015 . 2 . . . A 42 ARG HG2 . 25098 1 132 . 1 1 17 17 ARG HG3 H 1 1.297 0.006 . 2 . . . A 42 ARG HG3 . 25098 1 133 . 1 1 17 17 ARG HD2 H 1 3.174 0.009 . 2 . . . A 42 ARG HD2 . 25098 1 134 . 1 1 17 17 ARG HD3 H 1 3.160 0.011 . 2 . . . A 42 ARG HD3 . 25098 1 135 . 1 1 17 17 ARG CA C 13 54.461 0.021 . 1 . . . A 42 ARG CA . 25098 1 136 . 1 1 17 17 ARG CB C 13 32.141 0.076 . 1 . . . A 42 ARG CB . 25098 1 137 . 1 1 17 17 ARG CG C 13 28.240 0.112 . 1 . . . A 42 ARG CG . 25098 1 138 . 1 1 17 17 ARG CD C 13 43.060 0.027 . 1 . . . A 42 ARG CD . 25098 1 139 . 1 1 17 17 ARG N N 15 127.316 0.023 . 1 . . . A 42 ARG N . 25098 1 140 . 1 1 18 18 VAL H H 1 9.158 0.003 . 1 . . . A 43 VAL H . 25098 1 141 . 1 1 18 18 VAL HA H 1 4.357 0.008 . 1 . . . A 43 VAL HA . 25098 1 142 . 1 1 18 18 VAL HB H 1 1.146 0.013 . 1 . . . A 43 VAL HB . 25098 1 143 . 1 1 18 18 VAL HG11 H 1 0.297 0.009 . 2 . . . A 43 VAL HG11 . 25098 1 144 . 1 1 18 18 VAL HG12 H 1 0.297 0.009 . 2 . . . A 43 VAL HG12 . 25098 1 145 . 1 1 18 18 VAL HG13 H 1 0.297 0.009 . 2 . . . A 43 VAL HG13 . 25098 1 146 . 1 1 18 18 VAL HG21 H 1 0.990 0.011 . 2 . . . A 43 VAL HG21 . 25098 1 147 . 1 1 18 18 VAL HG22 H 1 0.990 0.011 . 2 . . . A 43 VAL HG22 . 25098 1 148 . 1 1 18 18 VAL HG23 H 1 0.990 0.011 . 2 . . . A 43 VAL HG23 . 25098 1 149 . 1 1 18 18 VAL CA C 13 61.020 0.057 . 1 . . . A 43 VAL CA . 25098 1 150 . 1 1 18 18 VAL CB C 13 34.375 0.016 . 1 . . . A 43 VAL CB . 25098 1 151 . 1 1 18 18 VAL CG1 C 13 20.493 0.000 . 1 . . . A 43 VAL CG1 . 25098 1 152 . 1 1 18 18 VAL CG2 C 13 21.994 0.038 . 1 . . . A 43 VAL CG2 . 25098 1 153 . 1 1 18 18 VAL N N 15 126.060 0.010 . 1 . . . A 43 VAL N . 25098 1 154 . 1 1 19 19 GLU H H 1 9.086 0.001 . 1 . . . A 44 GLU H . 25098 1 155 . 1 1 19 19 GLU HA H 1 4.782 0.008 . 1 . . . A 44 GLU HA . 25098 1 156 . 1 1 19 19 GLU HB2 H 1 2.143 0.007 . 2 . . . A 44 GLU HB2 . 25098 1 157 . 1 1 19 19 GLU HB3 H 1 2.152 0.011 . 2 . . . A 44 GLU HB3 . 25098 1 158 . 1 1 19 19 GLU HG2 H 1 2.299 0.007 . 2 . . . A 44 GLU HG2 . 25098 1 159 . 1 1 19 19 GLU HG3 H 1 2.137 0.001 . 2 . . . A 44 GLU HG3 . 25098 1 160 . 1 1 19 19 GLU CA C 13 55.944 0.003 . 1 . . . A 44 GLU CA . 25098 1 161 . 1 1 19 19 GLU CB C 13 31.779 0.007 . 1 . . . A 44 GLU CB . 25098 1 162 . 1 1 19 19 GLU CG C 13 38.033 0.023 . 1 . . . A 44 GLU CG . 25098 1 163 . 1 1 19 19 GLU N N 15 127.592 0.015 . 1 . . . A 44 GLU N . 25098 1 164 . 1 1 20 20 VAL H H 1 8.617 0.010 . 1 . . . A 45 VAL H . 25098 1 165 . 1 1 20 20 VAL HA H 1 4.910 0.013 . 1 . . . A 45 VAL HA . 25098 1 166 . 1 1 20 20 VAL HB H 1 2.436 0.015 . 1 . . . A 45 VAL HB . 25098 1 167 . 1 1 20 20 VAL HG11 H 1 1.334 0.017 . 2 . . . A 45 VAL HG11 . 25098 1 168 . 1 1 20 20 VAL HG12 H 1 1.334 0.017 . 2 . . . A 45 VAL HG12 . 25098 1 169 . 1 1 20 20 VAL HG13 H 1 1.334 0.017 . 2 . . . A 45 VAL HG13 . 25098 1 170 . 1 1 20 20 VAL HG21 H 1 1.051 0.014 . 2 . . . A 45 VAL HG21 . 25098 1 171 . 1 1 20 20 VAL HG22 H 1 1.051 0.014 . 2 . . . A 45 VAL HG22 . 25098 1 172 . 1 1 20 20 VAL HG23 H 1 1.051 0.014 . 2 . . . A 45 VAL HG23 . 25098 1 173 . 1 1 20 20 VAL CA C 13 61.122 0.078 . 1 . . . A 45 VAL CA . 25098 1 174 . 1 1 20 20 VAL CB C 13 31.501 0.000 . 1 . . . A 45 VAL CB . 25098 1 175 . 1 1 20 20 VAL CG1 C 13 21.000 0.013 . 1 . . . A 45 VAL CG1 . 25098 1 176 . 1 1 20 20 VAL CG2 C 13 23.071 0.077 . 1 . . . A 45 VAL CG2 . 25098 1 177 . 1 1 20 20 VAL N N 15 126.323 0.034 . 1 . . . A 45 VAL N . 25098 1 178 . 1 1 21 21 MET H H 1 8.319 0.007 . 1 . . . A 46 MET H . 25098 1 179 . 1 1 21 21 MET HA H 1 4.755 0.008 . 1 . . . A 46 MET HA . 25098 1 180 . 1 1 21 21 MET HB2 H 1 2.648 0.017 . 2 . . . A 46 MET HB2 . 25098 1 181 . 1 1 21 21 MET HB3 H 1 2.271 0.019 . 2 . . . A 46 MET HB3 . 25098 1 182 . 1 1 21 21 MET HG2 H 1 2.184 0.016 . 2 . . . A 46 MET HG2 . 25098 1 183 . 1 1 21 21 MET HG3 H 1 1.846 0.020 . 2 . . . A 46 MET HG3 . 25098 1 184 . 1 1 21 21 MET HE1 H 1 2.045 0.002 . 1 . . . A 46 MET HE1 . 25098 1 185 . 1 1 21 21 MET HE2 H 1 2.045 0.002 . 1 . . . A 46 MET HE2 . 25098 1 186 . 1 1 21 21 MET HE3 H 1 2.045 0.002 . 1 . . . A 46 MET HE3 . 25098 1 187 . 1 1 21 21 MET CA C 13 55.999 0.074 . 1 . . . A 46 MET CA . 25098 1 188 . 1 1 21 21 MET CB C 13 32.530 0.213 . 1 . . . A 46 MET CB . 25098 1 189 . 1 1 21 21 MET CG C 13 32.762 0.018 . 1 . . . A 46 MET CG . 25098 1 190 . 1 1 21 21 MET CE C 13 18.095 0.055 . 1 . . . A 46 MET CE . 25098 1 191 . 1 1 21 21 MET N N 15 127.658 0.010 . 1 . . . A 46 MET N . 25098 1 192 . 1 1 22 22 GLY H H 1 10.065 0.003 . 1 . . . A 47 GLY H . 25098 1 193 . 1 1 22 22 GLY HA2 H 1 3.826 0.007 . 2 . . . A 47 GLY HA2 . 25098 1 194 . 1 1 22 22 GLY HA3 H 1 3.711 0.014 . 2 . . . A 47 GLY HA3 . 25098 1 195 . 1 1 22 22 GLY CA C 13 46.863 0.041 . 1 . . . A 47 GLY CA . 25098 1 196 . 1 1 22 22 GLY N N 15 119.231 0.010 . 1 . . . A 47 GLY N . 25098 1 197 . 1 1 23 23 GLY H H 1 6.639 0.002 . 1 . . . A 48 GLY H . 25098 1 198 . 1 1 23 23 GLY HA2 H 1 2.981 0.011 . 2 . . . A 48 GLY HA2 . 25098 1 199 . 1 1 23 23 GLY HA3 H 1 4.202 0.005 . 2 . . . A 48 GLY HA3 . 25098 1 200 . 1 1 23 23 GLY CA C 13 43.176 0.018 . 1 . . . A 48 GLY CA . 25098 1 201 . 1 1 23 23 GLY N N 15 102.924 0.012 . 1 . . . A 48 GLY N . 25098 1 202 . 1 1 24 24 TYR H H 1 8.364 0.011 . 1 . . . A 49 TYR H . 25098 1 203 . 1 1 24 24 TYR HA H 1 5.267 0.010 . 1 . . . A 49 TYR HA . 25098 1 204 . 1 1 24 24 TYR HB2 H 1 3.134 0.008 . 2 . . . A 49 TYR HB2 . 25098 1 205 . 1 1 24 24 TYR HB3 H 1 2.586 0.007 . 2 . . . A 49 TYR HB3 . 25098 1 206 . 1 1 24 24 TYR HD1 H 1 6.860 0.007 . 3 . . . A 49 TYR HD1 . 25098 1 207 . 1 1 24 24 TYR HD2 H 1 6.860 0.007 . 3 . . . A 49 TYR HD2 . 25098 1 208 . 1 1 24 24 TYR HE1 H 1 6.382 0.023 . 3 . . . A 49 TYR HE1 . 25098 1 209 . 1 1 24 24 TYR HE2 H 1 6.382 0.023 . 3 . . . A 49 TYR HE2 . 25098 1 210 . 1 1 24 24 TYR CA C 13 56.991 0.020 . 1 . . . A 49 TYR CA . 25098 1 211 . 1 1 24 24 TYR CB C 13 40.490 0.008 . 1 . . . A 49 TYR CB . 25098 1 212 . 1 1 24 24 TYR N N 15 120.115 0.013 . 1 . . . A 49 TYR N . 25098 1 213 . 1 1 25 25 THR H H 1 8.574 0.006 . 1 . . . A 50 THR H . 25098 1 214 . 1 1 25 25 THR HA H 1 4.742 0.020 . 1 . . . A 50 THR HA . 25098 1 215 . 1 1 25 25 THR HB H 1 4.056 0.011 . 1 . . . A 50 THR HB . 25098 1 216 . 1 1 25 25 THR HG21 H 1 1.278 0.006 . 1 . . . A 50 THR HG21 . 25098 1 217 . 1 1 25 25 THR HG22 H 1 1.278 0.006 . 1 . . . A 50 THR HG22 . 25098 1 218 . 1 1 25 25 THR HG23 H 1 1.278 0.006 . 1 . . . A 50 THR HG23 . 25098 1 219 . 1 1 25 25 THR CA C 13 59.224 0.062 . 1 . . . A 50 THR CA . 25098 1 220 . 1 1 25 25 THR CB C 13 71.576 0.048 . 1 . . . A 50 THR CB . 25098 1 221 . 1 1 25 25 THR CG2 C 13 20.903 0.006 . 1 . . . A 50 THR CG2 . 25098 1 222 . 1 1 25 25 THR N N 15 117.545 0.064 . 1 . . . A 50 THR N . 25098 1 223 . 1 1 26 26 PRO HA H 1 4.928 0.012 . 1 . . . A 51 PRO HA . 25098 1 224 . 1 1 26 26 PRO HB2 H 1 2.218 0.010 . 2 . . . A 51 PRO HB2 . 25098 1 225 . 1 1 26 26 PRO HB3 H 1 2.535 0.015 . 2 . . . A 51 PRO HB3 . 25098 1 226 . 1 1 26 26 PRO HG3 H 1 1.840 0.011 . 2 . . . A 51 PRO HG3 . 25098 1 227 . 1 1 26 26 PRO HD2 H 1 3.587 0.007 . 2 . . . A 51 PRO HD2 . 25098 1 228 . 1 1 26 26 PRO HD3 H 1 4.268 0.013 . 2 . . . A 51 PRO HD3 . 25098 1 229 . 1 1 26 26 PRO CA C 13 63.206 0.013 . 1 . . . A 51 PRO CA . 25098 1 230 . 1 1 26 26 PRO CB C 13 34.946 0.111 . 1 . . . A 51 PRO CB . 25098 1 231 . 1 1 26 26 PRO CG C 13 25.231 0.097 . 1 . . . A 51 PRO CG . 25098 1 232 . 1 1 26 26 PRO CD C 13 50.626 0.023 . 1 . . . A 51 PRO CD . 25098 1 233 . 1 1 27 27 GLU H H 1 8.351 0.004 . 1 . . . A 52 GLU H . 25098 1 234 . 1 1 27 27 GLU HA H 1 4.468 0.011 . 1 . . . A 52 GLU HA . 25098 1 235 . 1 1 27 27 GLU HB2 H 1 2.389 0.008 . 2 . . . A 52 GLU HB2 . 25098 1 236 . 1 1 27 27 GLU HB3 H 1 2.379 0.010 . 2 . . . A 52 GLU HB3 . 25098 1 237 . 1 1 27 27 GLU HG2 H 1 2.387 0.010 . 2 . . . A 52 GLU HG2 . 25098 1 238 . 1 1 27 27 GLU HG3 H 1 2.504 0.003 . 2 . . . A 52 GLU HG3 . 25098 1 239 . 1 1 27 27 GLU CA C 13 55.828 0.093 . 1 . . . A 52 GLU CA . 25098 1 240 . 1 1 27 27 GLU CB C 13 30.239 0.023 . 1 . . . A 52 GLU CB . 25098 1 241 . 1 1 27 27 GLU CG C 13 36.079 0.047 . 1 . . . A 52 GLU CG . 25098 1 242 . 1 1 27 27 GLU N N 15 114.661 0.008 . 1 . . . A 52 GLU N . 25098 1 243 . 1 1 28 28 LEU H H 1 7.476 0.003 . 1 . . . A 53 LEU H . 25098 1 244 . 1 1 28 28 LEU HA H 1 5.504 0.013 . 1 . . . A 53 LEU HA . 25098 1 245 . 1 1 28 28 LEU HB2 H 1 1.420 0.016 . 2 . . . A 53 LEU HB2 . 25098 1 246 . 1 1 28 28 LEU HB3 H 1 1.727 0.012 . 2 . . . A 53 LEU HB3 . 25098 1 247 . 1 1 28 28 LEU HG H 1 1.358 0.017 . 1 . . . A 53 LEU HG . 25098 1 248 . 1 1 28 28 LEU HD11 H 1 0.772 0.001 . 2 . . . A 53 LEU HD11 . 25098 1 249 . 1 1 28 28 LEU HD12 H 1 0.772 0.001 . 2 . . . A 53 LEU HD12 . 25098 1 250 . 1 1 28 28 LEU HD13 H 1 0.772 0.001 . 2 . . . A 53 LEU HD13 . 25098 1 251 . 1 1 28 28 LEU HD21 H 1 0.884 0.009 . 2 . . . A 53 LEU HD21 . 25098 1 252 . 1 1 28 28 LEU HD22 H 1 0.884 0.009 . 2 . . . A 53 LEU HD22 . 25098 1 253 . 1 1 28 28 LEU HD23 H 1 0.884 0.009 . 2 . . . A 53 LEU HD23 . 25098 1 254 . 1 1 28 28 LEU CA C 13 54.005 0.153 . 1 . . . A 53 LEU CA . 25098 1 255 . 1 1 28 28 LEU CB C 13 44.276 0.013 . 1 . . . A 53 LEU CB . 25098 1 256 . 1 1 28 28 LEU CG C 13 28.147 0.036 . 1 . . . A 53 LEU CG . 25098 1 257 . 1 1 28 28 LEU CD1 C 13 25.500 0.052 . 1 . . . A 53 LEU CD1 . 25098 1 258 . 1 1 28 28 LEU CD2 C 13 24.533 0.014 . 1 . . . A 53 LEU CD2 . 25098 1 259 . 1 1 28 28 LEU N N 15 123.273 0.020 . 1 . . . A 53 LEU N . 25098 1 260 . 1 1 29 29 ILE H H 1 8.732 0.003 . 1 . . . A 54 ILE H . 25098 1 261 . 1 1 29 29 ILE HA H 1 5.238 0.016 . 1 . . . A 54 ILE HA . 25098 1 262 . 1 1 29 29 ILE HB H 1 1.719 0.013 . 1 . . . A 54 ILE HB . 25098 1 263 . 1 1 29 29 ILE HG12 H 1 1.609 0.009 . 2 . . . A 54 ILE HG12 . 25098 1 264 . 1 1 29 29 ILE HG13 H 1 1.307 0.013 . 2 . . . A 54 ILE HG13 . 25098 1 265 . 1 1 29 29 ILE HG21 H 1 0.786 0.010 . 1 . . . A 54 ILE HG21 . 25098 1 266 . 1 1 29 29 ILE HG22 H 1 0.786 0.010 . 1 . . . A 54 ILE HG22 . 25098 1 267 . 1 1 29 29 ILE HG23 H 1 0.786 0.010 . 1 . . . A 54 ILE HG23 . 25098 1 268 . 1 1 29 29 ILE HD11 H 1 0.646 0.009 . 1 . . . A 54 ILE HD11 . 25098 1 269 . 1 1 29 29 ILE HD12 H 1 0.646 0.009 . 1 . . . A 54 ILE HD12 . 25098 1 270 . 1 1 29 29 ILE HD13 H 1 0.646 0.009 . 1 . . . A 54 ILE HD13 . 25098 1 271 . 1 1 29 29 ILE CA C 13 59.006 0.028 . 1 . . . A 54 ILE CA . 25098 1 272 . 1 1 29 29 ILE CB C 13 41.979 0.063 . 1 . . . A 54 ILE CB . 25098 1 273 . 1 1 29 29 ILE CG1 C 13 26.101 0.077 . 1 . . . A 54 ILE CG1 . 25098 1 274 . 1 1 29 29 ILE CG2 C 13 18.361 0.026 . 1 . . . A 54 ILE CG2 . 25098 1 275 . 1 1 29 29 ILE CD1 C 13 13.843 0.009 . 1 . . . A 54 ILE CD1 . 25098 1 276 . 1 1 29 29 ILE N N 15 121.159 0.024 . 1 . . . A 54 ILE N . 25098 1 277 . 1 1 30 30 VAL H H 1 8.456 0.003 . 1 . . . A 55 VAL H . 25098 1 278 . 1 1 30 30 VAL HA H 1 5.138 0.009 . 1 . . . A 55 VAL HA . 25098 1 279 . 1 1 30 30 VAL HB H 1 1.759 0.031 . 1 . . . A 55 VAL HB . 25098 1 280 . 1 1 30 30 VAL HG11 H 1 0.820 0.016 . 2 . . . A 55 VAL HG11 . 25098 1 281 . 1 1 30 30 VAL HG12 H 1 0.820 0.016 . 2 . . . A 55 VAL HG12 . 25098 1 282 . 1 1 30 30 VAL HG13 H 1 0.820 0.016 . 2 . . . A 55 VAL HG13 . 25098 1 283 . 1 1 30 30 VAL HG21 H 1 0.694 0.007 . 2 . . . A 55 VAL HG21 . 25098 1 284 . 1 1 30 30 VAL HG22 H 1 0.694 0.007 . 2 . . . A 55 VAL HG22 . 25098 1 285 . 1 1 30 30 VAL HG23 H 1 0.694 0.007 . 2 . . . A 55 VAL HG23 . 25098 1 286 . 1 1 30 30 VAL CA C 13 61.216 0.009 . 1 . . . A 55 VAL CA . 25098 1 287 . 1 1 30 30 VAL CB C 13 33.376 0.000 . 1 . . . A 55 VAL CB . 25098 1 288 . 1 1 30 30 VAL CG1 C 13 20.928 0.035 . 1 . . . A 55 VAL CG1 . 25098 1 289 . 1 1 30 30 VAL CG2 C 13 20.084 0.037 . 1 . . . A 55 VAL CG2 . 25098 1 290 . 1 1 30 30 VAL N N 15 123.295 0.016 . 1 . . . A 55 VAL N . 25098 1 291 . 1 1 31 31 LEU H H 1 9.646 0.001 . 1 . . . A 56 LEU H . 25098 1 292 . 1 1 31 31 LEU HA H 1 4.637 0.016 . 1 . . . A 56 LEU HA . 25098 1 293 . 1 1 31 31 LEU HB2 H 1 1.498 0.025 . 2 . . . A 56 LEU HB2 . 25098 1 294 . 1 1 31 31 LEU HB3 H 1 1.568 0.008 . 2 . . . A 56 LEU HB3 . 25098 1 295 . 1 1 31 31 LEU HG H 1 1.477 0.012 . 1 . . . A 56 LEU HG . 25098 1 296 . 1 1 31 31 LEU HD11 H 1 0.602 0.007 . 2 . . . A 56 LEU HD11 . 25098 1 297 . 1 1 31 31 LEU HD12 H 1 0.602 0.007 . 2 . . . A 56 LEU HD12 . 25098 1 298 . 1 1 31 31 LEU HD13 H 1 0.602 0.007 . 2 . . . A 56 LEU HD13 . 25098 1 299 . 1 1 31 31 LEU HD21 H 1 0.680 0.006 . 2 . . . A 56 LEU HD21 . 25098 1 300 . 1 1 31 31 LEU HD22 H 1 0.680 0.006 . 2 . . . A 56 LEU HD22 . 25098 1 301 . 1 1 31 31 LEU HD23 H 1 0.680 0.006 . 2 . . . A 56 LEU HD23 . 25098 1 302 . 1 1 31 31 LEU CA C 13 53.044 0.013 . 1 . . . A 56 LEU CA . 25098 1 303 . 1 1 31 31 LEU CB C 13 45.712 0.008 . 1 . . . A 56 LEU CB . 25098 1 304 . 1 1 31 31 LEU CG C 13 28.350 0.017 . 1 . . . A 56 LEU CG . 25098 1 305 . 1 1 31 31 LEU CD1 C 13 24.528 0.006 . 1 . . . A 56 LEU CD1 . 25098 1 306 . 1 1 31 31 LEU CD2 C 13 25.598 0.003 . 1 . . . A 56 LEU CD2 . 25098 1 307 . 1 1 31 31 LEU N N 15 129.681 0.013 . 1 . . . A 56 LEU N . 25098 1 308 . 1 1 32 32 LYS H H 1 9.619 0.006 . 1 . . . A 57 LYS H . 25098 1 309 . 1 1 32 32 LYS HA H 1 4.815 0.008 . 1 . . . A 57 LYS HA . 25098 1 310 . 1 1 32 32 LYS HB2 H 1 1.719 0.006 . 2 . . . A 57 LYS HB2 . 25098 1 311 . 1 1 32 32 LYS HB3 H 1 1.534 0.008 . 2 . . . A 57 LYS HB3 . 25098 1 312 . 1 1 32 32 LYS HG2 H 1 1.520 0.007 . 2 . . . A 57 LYS HG2 . 25098 1 313 . 1 1 32 32 LYS HE2 H 1 2.947 0.001 . 2 . . . A 57 LYS HE2 . 25098 1 314 . 1 1 32 32 LYS CA C 13 55.095 0.038 . 1 . . . A 57 LYS CA . 25098 1 315 . 1 1 32 32 LYS CB C 13 33.701 0.007 . 1 . . . A 57 LYS CB . 25098 1 316 . 1 1 32 32 LYS CG C 13 24.994 0.006 . 1 . . . A 57 LYS CG . 25098 1 317 . 1 1 32 32 LYS N N 15 121.874 0.012 . 1 . . . A 57 LYS N . 25098 1 318 . 1 1 33 33 LYS H H 1 8.793 0.003 . 1 . . . A 58 LYS H . 25098 1 319 . 1 1 33 33 LYS HA H 1 3.714 0.008 . 1 . . . A 58 LYS HA . 25098 1 320 . 1 1 33 33 LYS HB2 H 1 1.436 0.008 . 2 . . . A 58 LYS HB2 . 25098 1 321 . 1 1 33 33 LYS HB3 H 1 1.548 0.014 . 2 . . . A 58 LYS HB3 . 25098 1 322 . 1 1 33 33 LYS HG2 H 1 1.051 0.007 . 2 . . . A 58 LYS HG2 . 25098 1 323 . 1 1 33 33 LYS HG3 H 1 1.545 0.017 . 2 . . . A 58 LYS HG3 . 25098 1 324 . 1 1 33 33 LYS HD2 H 1 1.702 0.012 . 2 . . . A 58 LYS HD2 . 25098 1 325 . 1 1 33 33 LYS HD3 H 1 1.474 0.015 . 2 . . . A 58 LYS HD3 . 25098 1 326 . 1 1 33 33 LYS HE3 H 1 2.997 0.005 . 2 . . . A 58 LYS HE3 . 25098 1 327 . 1 1 33 33 LYS CA C 13 57.532 0.036 . 1 . . . A 58 LYS CA . 25098 1 328 . 1 1 33 33 LYS CB C 13 33.246 0.028 . 1 . . . A 58 LYS CB . 25098 1 329 . 1 1 33 33 LYS CG C 13 23.511 0.066 . 1 . . . A 58 LYS CG . 25098 1 330 . 1 1 33 33 LYS CD C 13 29.644 0.014 . 1 . . . A 58 LYS CD . 25098 1 331 . 1 1 33 33 LYS CE C 13 41.191 0.034 . 1 . . . A 58 LYS CE . 25098 1 332 . 1 1 33 33 LYS N N 15 124.865 0.024 . 1 . . . A 58 LYS N . 25098 1 333 . 1 1 34 34 SER H H 1 8.946 0.001 . 1 . . . A 59 SER H . 25098 1 334 . 1 1 34 34 SER HA H 1 4.084 0.009 . 1 . . . A 59 SER HA . 25098 1 335 . 1 1 34 34 SER HB2 H 1 3.536 0.006 . 2 . . . A 59 SER HB2 . 25098 1 336 . 1 1 34 34 SER HB3 H 1 3.531 0.005 . 2 . . . A 59 SER HB3 . 25098 1 337 . 1 1 34 34 SER CA C 13 61.005 0.159 . 1 . . . A 59 SER CA . 25098 1 338 . 1 1 34 34 SER CB C 13 60.917 0.089 . 1 . . . A 59 SER CB . 25098 1 339 . 1 1 34 34 SER N N 15 113.482 0.013 . 1 . . . A 59 SER N . 25098 1 340 . 1 1 35 35 VAL H H 1 6.974 0.003 . 1 . . . A 60 VAL H . 25098 1 341 . 1 1 35 35 VAL HA H 1 4.448 0.014 . 1 . . . A 60 VAL HA . 25098 1 342 . 1 1 35 35 VAL HB H 1 1.853 0.010 . 1 . . . A 60 VAL HB . 25098 1 343 . 1 1 35 35 VAL HG11 H 1 0.906 0.011 . 2 . . . A 60 VAL HG11 . 25098 1 344 . 1 1 35 35 VAL HG12 H 1 0.906 0.011 . 2 . . . A 60 VAL HG12 . 25098 1 345 . 1 1 35 35 VAL HG13 H 1 0.906 0.011 . 2 . . . A 60 VAL HG13 . 25098 1 346 . 1 1 35 35 VAL HG21 H 1 0.775 0.011 . 2 . . . A 60 VAL HG21 . 25098 1 347 . 1 1 35 35 VAL HG22 H 1 0.775 0.011 . 2 . . . A 60 VAL HG22 . 25098 1 348 . 1 1 35 35 VAL HG23 H 1 0.775 0.011 . 2 . . . A 60 VAL HG23 . 25098 1 349 . 1 1 35 35 VAL CA C 13 59.101 0.013 . 1 . . . A 60 VAL CA . 25098 1 350 . 1 1 35 35 VAL CB C 13 33.818 0.046 . 1 . . . A 60 VAL CB . 25098 1 351 . 1 1 35 35 VAL CG1 C 13 19.298 0.017 . 1 . . . A 60 VAL CG1 . 25098 1 352 . 1 1 35 35 VAL CG2 C 13 21.399 0.019 . 1 . . . A 60 VAL CG2 . 25098 1 353 . 1 1 35 35 VAL N N 15 123.081 0.019 . 1 . . . A 60 VAL N . 25098 1 354 . 1 1 36 36 PRO HA H 1 4.405 0.011 . 1 . . . A 61 PRO HA . 25098 1 355 . 1 1 36 36 PRO HB2 H 1 2.277 0.015 . 2 . . . A 61 PRO HB2 . 25098 1 356 . 1 1 36 36 PRO HB3 H 1 1.927 0.000 . 2 . . . A 61 PRO HB3 . 25098 1 357 . 1 1 36 36 PRO HG2 H 1 2.168 0.002 . 2 . . . A 61 PRO HG2 . 25098 1 358 . 1 1 36 36 PRO HG3 H 1 1.920 0.005 . 2 . . . A 61 PRO HG3 . 25098 1 359 . 1 1 36 36 PRO HD2 H 1 3.399 0.001 . 2 . . . A 61 PRO HD2 . 25098 1 360 . 1 1 36 36 PRO HD3 H 1 3.830 0.002 . 2 . . . A 61 PRO HD3 . 25098 1 361 . 1 1 36 36 PRO CA C 13 64.752 0.034 . 1 . . . A 61 PRO CA . 25098 1 362 . 1 1 36 36 PRO CB C 13 32.273 0.008 . 1 . . . A 61 PRO CB . 25098 1 363 . 1 1 36 36 PRO CG C 13 27.931 0.021 . 1 . . . A 61 PRO CG . 25098 1 364 . 1 1 36 36 PRO CD C 13 50.375 0.010 . 1 . . . A 61 PRO CD . 25098 1 365 . 1 1 37 37 ALA H H 1 9.244 0.003 . 1 . . . A 62 ALA H . 25098 1 366 . 1 1 37 37 ALA HA H 1 5.452 0.008 . 1 . . . A 62 ALA HA . 25098 1 367 . 1 1 37 37 ALA HB1 H 1 1.196 0.008 . 1 . . . A 62 ALA HB1 . 25098 1 368 . 1 1 37 37 ALA HB2 H 1 1.196 0.008 . 1 . . . A 62 ALA HB2 . 25098 1 369 . 1 1 37 37 ALA HB3 H 1 1.196 0.008 . 1 . . . A 62 ALA HB3 . 25098 1 370 . 1 1 37 37 ALA CA C 13 49.746 0.037 . 1 . . . A 62 ALA CA . 25098 1 371 . 1 1 37 37 ALA CB C 13 22.483 0.010 . 1 . . . A 62 ALA CB . 25098 1 372 . 1 1 37 37 ALA N N 15 124.881 0.012 . 1 . . . A 62 ALA N . 25098 1 373 . 1 1 38 38 ARG H H 1 8.858 0.007 . 1 . . . A 63 ARG H . 25098 1 374 . 1 1 38 38 ARG HA H 1 4.498 0.006 . 1 . . . A 63 ARG HA . 25098 1 375 . 1 1 38 38 ARG HB2 H 1 1.680 0.013 . 2 . . . A 63 ARG HB2 . 25098 1 376 . 1 1 38 38 ARG HB3 H 1 1.454 0.008 . 2 . . . A 63 ARG HB3 . 25098 1 377 . 1 1 38 38 ARG HG2 H 1 1.247 0.009 . 2 . . . A 63 ARG HG2 . 25098 1 378 . 1 1 38 38 ARG HG3 H 1 1.335 0.003 . 2 . . . A 63 ARG HG3 . 25098 1 379 . 1 1 38 38 ARG HD2 H 1 2.697 0.011 . 2 . . . A 63 ARG HD2 . 25098 1 380 . 1 1 38 38 ARG HD3 H 1 2.645 0.011 . 2 . . . A 63 ARG HD3 . 25098 1 381 . 1 1 38 38 ARG CA C 13 55.022 0.018 . 1 . . . A 63 ARG CA . 25098 1 382 . 1 1 38 38 ARG CB C 13 31.637 0.136 . 1 . . . A 63 ARG CB . 25098 1 383 . 1 1 38 38 ARG CG C 13 27.639 0.044 . 1 . . . A 63 ARG CG . 25098 1 384 . 1 1 38 38 ARG CD C 13 43.424 0.032 . 1 . . . A 63 ARG CD . 25098 1 385 . 1 1 38 38 ARG N N 15 122.869 0.018 . 1 . . . A 63 ARG N . 25098 1 386 . 1 1 39 39 ILE H H 1 9.033 0.003 . 1 . . . A 64 ILE H . 25098 1 387 . 1 1 39 39 ILE HA H 1 4.367 0.009 . 1 . . . A 64 ILE HA . 25098 1 388 . 1 1 39 39 ILE HB H 1 1.680 0.008 . 1 . . . A 64 ILE HB . 25098 1 389 . 1 1 39 39 ILE HG12 H 1 0.549 0.013 . 2 . . . A 64 ILE HG12 . 25098 1 390 . 1 1 39 39 ILE HG13 H 1 1.216 0.013 . 2 . . . A 64 ILE HG13 . 25098 1 391 . 1 1 39 39 ILE HG21 H 1 0.095 0.005 . 1 . . . A 64 ILE HG21 . 25098 1 392 . 1 1 39 39 ILE HG22 H 1 0.095 0.005 . 1 . . . A 64 ILE HG22 . 25098 1 393 . 1 1 39 39 ILE HG23 H 1 0.095 0.005 . 1 . . . A 64 ILE HG23 . 25098 1 394 . 1 1 39 39 ILE HD11 H 1 0.445 0.003 . 1 . . . A 64 ILE HD11 . 25098 1 395 . 1 1 39 39 ILE HD12 H 1 0.445 0.003 . 1 . . . A 64 ILE HD12 . 25098 1 396 . 1 1 39 39 ILE HD13 H 1 0.445 0.003 . 1 . . . A 64 ILE HD13 . 25098 1 397 . 1 1 39 39 ILE CA C 13 60.028 0.067 . 1 . . . A 64 ILE CA . 25098 1 398 . 1 1 39 39 ILE CB C 13 37.499 0.039 . 1 . . . A 64 ILE CB . 25098 1 399 . 1 1 39 39 ILE CG1 C 13 26.954 0.101 . 1 . . . A 64 ILE CG1 . 25098 1 400 . 1 1 39 39 ILE CG2 C 13 19.085 0.046 . 1 . . . A 64 ILE CG2 . 25098 1 401 . 1 1 39 39 ILE CD1 C 13 14.318 0.048 . 1 . . . A 64 ILE CD1 . 25098 1 402 . 1 1 39 39 ILE N N 15 125.797 0.023 . 1 . . . A 64 ILE N . 25098 1 403 . 1 1 40 40 VAL H H 1 8.800 0.009 . 1 . . . A 65 VAL H . 25098 1 404 . 1 1 40 40 VAL HA H 1 4.122 0.008 . 1 . . . A 65 VAL HA . 25098 1 405 . 1 1 40 40 VAL HB H 1 1.917 0.008 . 1 . . . A 65 VAL HB . 25098 1 406 . 1 1 40 40 VAL HG11 H 1 0.703 0.019 . 2 . . . A 65 VAL HG11 . 25098 1 407 . 1 1 40 40 VAL HG12 H 1 0.703 0.019 . 2 . . . A 65 VAL HG12 . 25098 1 408 . 1 1 40 40 VAL HG13 H 1 0.703 0.019 . 2 . . . A 65 VAL HG13 . 25098 1 409 . 1 1 40 40 VAL HG21 H 1 0.751 0.013 . 2 . . . A 65 VAL HG21 . 25098 1 410 . 1 1 40 40 VAL HG22 H 1 0.751 0.013 . 2 . . . A 65 VAL HG22 . 25098 1 411 . 1 1 40 40 VAL HG23 H 1 0.751 0.013 . 2 . . . A 65 VAL HG23 . 25098 1 412 . 1 1 40 40 VAL CA C 13 61.697 0.083 . 1 . . . A 65 VAL CA . 25098 1 413 . 1 1 40 40 VAL CB C 13 32.480 0.058 . 1 . . . A 65 VAL CB . 25098 1 414 . 1 1 40 40 VAL CG1 C 13 20.950 0.037 . 1 . . . A 65 VAL CG1 . 25098 1 415 . 1 1 40 40 VAL CG2 C 13 20.163 0.119 . 1 . . . A 65 VAL CG2 . 25098 1 416 . 1 1 40 40 VAL N N 15 127.998 0.021 . 1 . . . A 65 VAL N . 25098 1 417 . 1 1 41 41 PHE H H 1 9.536 0.001 . 1 . . . A 66 PHE H . 25098 1 418 . 1 1 41 41 PHE HA H 1 5.190 0.011 . 1 . . . A 66 PHE HA . 25098 1 419 . 1 1 41 41 PHE HB2 H 1 2.747 0.009 . 2 . . . A 66 PHE HB2 . 25098 1 420 . 1 1 41 41 PHE HB3 H 1 3.282 0.005 . 2 . . . A 66 PHE HB3 . 25098 1 421 . 1 1 41 41 PHE HD1 H 1 7.133 0.006 . 3 . . . A 66 PHE HD1 . 25098 1 422 . 1 1 41 41 PHE HD2 H 1 7.133 0.006 . 3 . . . A 66 PHE HD2 . 25098 1 423 . 1 1 41 41 PHE HE1 H 1 7.215 0.000 . 3 . . . A 66 PHE HE1 . 25098 1 424 . 1 1 41 41 PHE HE2 H 1 7.215 0.000 . 3 . . . A 66 PHE HE2 . 25098 1 425 . 1 1 41 41 PHE HZ H 1 6.803 0.008 . 1 . . . A 66 PHE HZ . 25098 1 426 . 1 1 41 41 PHE CA C 13 58.012 0.031 . 1 . . . A 66 PHE CA . 25098 1 427 . 1 1 41 41 PHE CB C 13 41.731 0.077 . 1 . . . A 66 PHE CB . 25098 1 428 . 1 1 41 41 PHE N N 15 126.431 0.008 . 1 . . . A 66 PHE N . 25098 1 429 . 1 1 42 42 ASP H H 1 8.806 0.003 . 1 . . . A 67 ASP H . 25098 1 430 . 1 1 42 42 ASP HA H 1 4.986 0.002 . 1 . . . A 67 ASP HA . 25098 1 431 . 1 1 42 42 ASP HB2 H 1 2.904 0.011 . 2 . . . A 67 ASP HB2 . 25098 1 432 . 1 1 42 42 ASP HB3 H 1 2.291 0.004 . 2 . . . A 67 ASP HB3 . 25098 1 433 . 1 1 42 42 ASP CA C 13 52.158 0.029 . 1 . . . A 67 ASP CA . 25098 1 434 . 1 1 42 42 ASP CB C 13 42.083 0.013 . 1 . . . A 67 ASP CB . 25098 1 435 . 1 1 42 42 ASP N N 15 123.469 0.026 . 1 . . . A 67 ASP N . 25098 1 436 . 1 1 43 43 ARG H H 1 8.598 0.006 . 1 . . . A 68 ARG H . 25098 1 437 . 1 1 43 43 ARG HA H 1 4.760 0.007 . 1 . . . A 68 ARG HA . 25098 1 438 . 1 1 43 43 ARG HB2 H 1 1.705 0.004 . 2 . . . A 68 ARG HB2 . 25098 1 439 . 1 1 43 43 ARG HB3 H 1 2.557 0.004 . 2 . . . A 68 ARG HB3 . 25098 1 440 . 1 1 43 43 ARG HG2 H 1 1.698 0.011 . 2 . . . A 68 ARG HG2 . 25098 1 441 . 1 1 43 43 ARG HG3 H 1 1.532 0.001 . 2 . . . A 68 ARG HG3 . 25098 1 442 . 1 1 43 43 ARG HD3 H 1 2.722 0.002 . 2 . . . A 68 ARG HD3 . 25098 1 443 . 1 1 43 43 ARG CA C 13 58.018 0.015 . 1 . . . A 68 ARG CA . 25098 1 444 . 1 1 43 43 ARG CB C 13 30.605 0.057 . 1 . . . A 68 ARG CB . 25098 1 445 . 1 1 43 43 ARG CG C 13 29.122 0.149 . 1 . . . A 68 ARG CG . 25098 1 446 . 1 1 43 43 ARG CD C 13 43.349 0.035 . 1 . . . A 68 ARG CD . 25098 1 447 . 1 1 43 43 ARG N N 15 124.864 0.027 . 1 . . . A 68 ARG N . 25098 1 448 . 1 1 44 44 LYS H H 1 8.348 0.004 . 1 . . . A 69 LYS H . 25098 1 449 . 1 1 44 44 LYS HA H 1 4.662 0.008 . 1 . . . A 69 LYS HA . 25098 1 450 . 1 1 44 44 LYS HB2 H 1 1.664 0.011 . 2 . . . A 69 LYS HB2 . 25098 1 451 . 1 1 44 44 LYS HB3 H 1 2.096 0.006 . 2 . . . A 69 LYS HB3 . 25098 1 452 . 1 1 44 44 LYS HG2 H 1 1.626 0.023 . 2 . . . A 69 LYS HG2 . 25098 1 453 . 1 1 44 44 LYS HG3 H 1 1.559 0.020 . 2 . . . A 69 LYS HG3 . 25098 1 454 . 1 1 44 44 LYS HD2 H 1 1.364 0.010 . 2 . . . A 69 LYS HD2 . 25098 1 455 . 1 1 44 44 LYS HE2 H 1 2.894 0.016 . 2 . . . A 69 LYS HE2 . 25098 1 456 . 1 1 44 44 LYS CA C 13 55.222 0.085 . 1 . . . A 69 LYS CA . 25098 1 457 . 1 1 44 44 LYS CB C 13 34.788 0.022 . 1 . . . A 69 LYS CB . 25098 1 458 . 1 1 44 44 LYS CG C 13 28.793 0.004 . 1 . . . A 69 LYS CG . 25098 1 459 . 1 1 44 44 LYS CD C 13 25.022 0.000 . 1 . . . A 69 LYS CD . 25098 1 460 . 1 1 44 44 LYS CE C 13 42.076 0.003 . 1 . . . A 69 LYS CE . 25098 1 461 . 1 1 44 44 LYS N N 15 126.910 0.009 . 1 . . . A 69 LYS N . 25098 1 462 . 1 1 45 45 ASP H H 1 6.675 0.002 . 1 . . . A 70 ASP H . 25098 1 463 . 1 1 45 45 ASP HA H 1 5.085 0.003 . 1 . . . A 70 ASP HA . 25098 1 464 . 1 1 45 45 ASP HB2 H 1 2.913 0.008 . 2 . . . A 70 ASP HB2 . 25098 1 465 . 1 1 45 45 ASP HB3 H 1 2.909 0.008 . 2 . . . A 70 ASP HB3 . 25098 1 466 . 1 1 45 45 ASP CA C 13 49.872 0.016 . 1 . . . A 70 ASP CA . 25098 1 467 . 1 1 45 45 ASP CB C 13 45.194 0.006 . 1 . . . A 70 ASP CB . 25098 1 468 . 1 1 45 45 ASP N N 15 119.420 0.012 . 1 . . . A 70 ASP N . 25098 1 469 . 1 1 46 46 PRO HA H 1 4.589 0.010 . 1 . . . A 71 PRO HA . 25098 1 470 . 1 1 46 46 PRO HG2 H 1 2.082 0.004 . 2 . . . A 71 PRO HG2 . 25098 1 471 . 1 1 46 46 PRO HG3 H 1 1.859 0.015 . 2 . . . A 71 PRO HG3 . 25098 1 472 . 1 1 46 46 PRO HD2 H 1 4.032 0.004 . 2 . . . A 71 PRO HD2 . 25098 1 473 . 1 1 46 46 PRO HD3 H 1 3.823 0.006 . 2 . . . A 71 PRO HD3 . 25098 1 474 . 1 1 46 46 PRO CA C 13 63.781 0.014 . 1 . . . A 71 PRO CA . 25098 1 475 . 1 1 46 46 PRO CG C 13 25.932 0.022 . 1 . . . A 71 PRO CG . 25098 1 476 . 1 1 46 46 PRO CD C 13 51.035 0.028 . 1 . . . A 71 PRO CD . 25098 1 477 . 1 1 47 47 SER H H 1 8.624 0.002 . 1 . . . A 72 SER H . 25098 1 478 . 1 1 47 47 SER HA H 1 4.462 0.001 . 1 . . . A 72 SER HA . 25098 1 479 . 1 1 47 47 SER HB2 H 1 3.846 0.005 . 2 . . . A 72 SER HB2 . 25098 1 480 . 1 1 47 47 SER HB3 H 1 3.677 0.002 . 2 . . . A 72 SER HB3 . 25098 1 481 . 1 1 47 47 SER CA C 13 57.029 0.059 . 1 . . . A 72 SER CA . 25098 1 482 . 1 1 47 47 SER CB C 13 63.781 0.014 . 1 . . . A 72 SER CB . 25098 1 483 . 1 1 47 47 SER N N 15 121.578 0.026 . 1 . . . A 72 SER N . 25098 1 484 . 1 1 48 48 PRO HA H 1 4.348 0.013 . 1 . . . A 73 PRO HA . 25098 1 485 . 1 1 48 48 PRO HB2 H 1 2.371 0.019 . 2 . . . A 73 PRO HB2 . 25098 1 486 . 1 1 48 48 PRO HG2 H 1 1.895 0.012 . 2 . . . A 73 PRO HG2 . 25098 1 487 . 1 1 48 48 PRO HG3 H 1 2.063 0.006 . 2 . . . A 73 PRO HG3 . 25098 1 488 . 1 1 48 48 PRO HD2 H 1 3.818 0.000 . 2 . . . A 73 PRO HD2 . 25098 1 489 . 1 1 48 48 PRO HD3 H 1 3.541 0.000 . 2 . . . A 73 PRO HD3 . 25098 1 490 . 1 1 48 48 PRO CA C 13 64.297 0.084 . 1 . . . A 73 PRO CA . 25098 1 491 . 1 1 49 49 CYS H H 1 8.010 0.002 . 1 . . . A 74 CYS H . 25098 1 492 . 1 1 49 49 CYS HA H 1 4.320 0.003 . 1 . . . A 74 CYS HA . 25098 1 493 . 1 1 49 49 CYS HB2 H 1 2.994 0.011 . 2 . . . A 74 CYS HB2 . 25098 1 494 . 1 1 49 49 CYS CA C 13 60.192 0.045 . 1 . . . A 74 CYS CA . 25098 1 495 . 1 1 49 49 CYS CB C 13 27.035 0.021 . 1 . . . A 74 CYS CB . 25098 1 496 . 1 1 49 49 CYS N N 15 114.456 0.015 . 1 . . . A 74 CYS N . 25098 1 497 . 1 1 50 50 LEU H H 1 7.629 0.002 . 1 . . . A 75 LEU H . 25098 1 498 . 1 1 50 50 LEU HA H 1 4.546 0.012 . 1 . . . A 75 LEU HA . 25098 1 499 . 1 1 50 50 LEU HB2 H 1 1.697 0.012 . 2 . . . A 75 LEU HB2 . 25098 1 500 . 1 1 50 50 LEU HB3 H 1 1.526 0.005 . 2 . . . A 75 LEU HB3 . 25098 1 501 . 1 1 50 50 LEU HG H 1 1.527 0.001 . 1 . . . A 75 LEU HG . 25098 1 502 . 1 1 50 50 LEU HD11 H 1 0.634 0.008 . 2 . . . A 75 LEU HD11 . 25098 1 503 . 1 1 50 50 LEU HD12 H 1 0.634 0.008 . 2 . . . A 75 LEU HD12 . 25098 1 504 . 1 1 50 50 LEU HD13 H 1 0.634 0.008 . 2 . . . A 75 LEU HD13 . 25098 1 505 . 1 1 50 50 LEU HD21 H 1 0.763 0.010 . 2 . . . A 75 LEU HD21 . 25098 1 506 . 1 1 50 50 LEU HD22 H 1 0.763 0.010 . 2 . . . A 75 LEU HD22 . 25098 1 507 . 1 1 50 50 LEU HD23 H 1 0.763 0.010 . 2 . . . A 75 LEU HD23 . 25098 1 508 . 1 1 50 50 LEU CA C 13 53.987 0.036 . 1 . . . A 75 LEU CA . 25098 1 509 . 1 1 50 50 LEU CB C 13 41.083 0.007 . 1 . . . A 75 LEU CB . 25098 1 510 . 1 1 50 50 LEU CG C 13 26.644 0.021 . 1 . . . A 75 LEU CG . 25098 1 511 . 1 1 50 50 LEU CD1 C 13 22.488 0.007 . 1 . . . A 75 LEU CD1 . 25098 1 512 . 1 1 50 50 LEU CD2 C 13 26.280 0.001 . 1 . . . A 75 LEU CD2 . 25098 1 513 . 1 1 50 50 LEU N N 15 120.476 0.013 . 1 . . . A 75 LEU N . 25098 1 514 . 1 1 51 51 ASP H H 1 7.465 0.004 . 1 . . . A 76 ASP H . 25098 1 515 . 1 1 51 51 ASP HA H 1 4.466 0.001 . 1 . . . A 76 ASP HA . 25098 1 516 . 1 1 51 51 ASP HB2 H 1 2.821 0.005 . 2 . . . A 76 ASP HB2 . 25098 1 517 . 1 1 51 51 ASP HB3 H 1 2.685 0.002 . 2 . . . A 76 ASP HB3 . 25098 1 518 . 1 1 51 51 ASP CB C 13 41.608 0.013 . 1 . . . A 76 ASP CB . 25098 1 519 . 1 1 51 51 ASP N N 15 117.861 0.022 . 1 . . . A 76 ASP N . 25098 1 520 . 1 1 52 52 GLN HA H 1 5.368 0.009 . 1 . . . A 77 GLN HA . 25098 1 521 . 1 1 52 52 GLN HB3 H 1 1.742 0.001 . 2 . . . A 77 GLN HB3 . 25098 1 522 . 1 1 52 52 GLN HG2 H 1 2.321 0.018 . 2 . . . A 77 GLN HG2 . 25098 1 523 . 1 1 52 52 GLN HG3 H 1 2.256 0.011 . 2 . . . A 77 GLN HG3 . 25098 1 524 . 1 1 52 52 GLN CA C 13 53.830 0.026 . 1 . . . A 77 GLN CA . 25098 1 525 . 1 1 52 52 GLN CB C 13 33.290 0.209 . 1 . . . A 77 GLN CB . 25098 1 526 . 1 1 52 52 GLN CG C 13 34.010 0.038 . 1 . . . A 77 GLN CG . 25098 1 527 . 1 1 53 53 ILE H H 1 9.043 0.002 . 1 . . . A 78 ILE H . 25098 1 528 . 1 1 53 53 ILE HA H 1 4.893 0.007 . 1 . . . A 78 ILE HA . 25098 1 529 . 1 1 53 53 ILE HB H 1 1.132 0.003 . 1 . . . A 78 ILE HB . 25098 1 530 . 1 1 53 53 ILE HG12 H 1 0.905 0.004 . 2 . . . A 78 ILE HG12 . 25098 1 531 . 1 1 53 53 ILE HG13 H 1 0.406 0.002 . 2 . . . A 78 ILE HG13 . 25098 1 532 . 1 1 53 53 ILE HG21 H 1 0.452 0.008 . 1 . . . A 78 ILE HG21 . 25098 1 533 . 1 1 53 53 ILE HG22 H 1 0.452 0.008 . 1 . . . A 78 ILE HG22 . 25098 1 534 . 1 1 53 53 ILE HG23 H 1 0.452 0.008 . 1 . . . A 78 ILE HG23 . 25098 1 535 . 1 1 53 53 ILE HD11 H 1 0.328 0.010 . 1 . . . A 78 ILE HD11 . 25098 1 536 . 1 1 53 53 ILE HD12 H 1 0.328 0.010 . 1 . . . A 78 ILE HD12 . 25098 1 537 . 1 1 53 53 ILE HD13 H 1 0.328 0.010 . 1 . . . A 78 ILE HD13 . 25098 1 538 . 1 1 53 53 ILE CA C 13 56.862 0.021 . 1 . . . A 78 ILE CA . 25098 1 539 . 1 1 53 53 ILE CB C 13 42.611 0.032 . 1 . . . A 78 ILE CB . 25098 1 540 . 1 1 53 53 ILE CG1 C 13 29.139 0.019 . 1 . . . A 78 ILE CG1 . 25098 1 541 . 1 1 53 53 ILE CG2 C 13 18.318 0.015 . 1 . . . A 78 ILE CG2 . 25098 1 542 . 1 1 53 53 ILE CD1 C 13 14.778 0.050 . 1 . . . A 78 ILE CD1 . 25098 1 543 . 1 1 53 53 ILE N N 15 123.134 0.053 . 1 . . . A 78 ILE N . 25098 1 544 . 1 1 54 54 VAL H H 1 8.911 0.003 . 1 . . . A 79 VAL H . 25098 1 545 . 1 1 54 54 VAL HA H 1 4.911 0.011 . 1 . . . A 79 VAL HA . 25098 1 546 . 1 1 54 54 VAL HB H 1 1.926 0.007 . 1 . . . A 79 VAL HB . 25098 1 547 . 1 1 54 54 VAL HG11 H 1 0.554 0.009 . 2 . . . A 79 VAL HG11 . 25098 1 548 . 1 1 54 54 VAL HG12 H 1 0.554 0.009 . 2 . . . A 79 VAL HG12 . 25098 1 549 . 1 1 54 54 VAL HG13 H 1 0.554 0.009 . 2 . . . A 79 VAL HG13 . 25098 1 550 . 1 1 54 54 VAL HG21 H 1 0.818 0.005 . 2 . . . A 79 VAL HG21 . 25098 1 551 . 1 1 54 54 VAL HG22 H 1 0.818 0.005 . 2 . . . A 79 VAL HG22 . 25098 1 552 . 1 1 54 54 VAL HG23 H 1 0.818 0.005 . 2 . . . A 79 VAL HG23 . 25098 1 553 . 1 1 54 54 VAL CB C 13 35.336 0.018 . 1 . . . A 79 VAL CB . 25098 1 554 . 1 1 54 54 VAL CG1 C 13 19.988 0.037 . 1 . . . A 79 VAL CG1 . 25098 1 555 . 1 1 54 54 VAL CG2 C 13 20.990 0.018 . 1 . . . A 79 VAL CG2 . 25098 1 556 . 1 1 54 54 VAL N N 15 125.068 0.018 . 1 . . . A 79 VAL N . 25098 1 557 . 1 1 55 55 PHE H H 1 8.628 0.003 . 1 . . . A 80 PHE H . 25098 1 558 . 1 1 55 55 PHE HA H 1 5.574 0.011 . 1 . . . A 80 PHE HA . 25098 1 559 . 1 1 55 55 PHE HB2 H 1 3.227 0.008 . 2 . . . A 80 PHE HB2 . 25098 1 560 . 1 1 55 55 PHE HB3 H 1 3.364 0.012 . 2 . . . A 80 PHE HB3 . 25098 1 561 . 1 1 55 55 PHE HD1 H 1 7.057 0.013 . 3 . . . A 80 PHE HD1 . 25098 1 562 . 1 1 55 55 PHE HD2 H 1 7.057 0.013 . 3 . . . A 80 PHE HD2 . 25098 1 563 . 1 1 55 55 PHE HE1 H 1 6.938 0.015 . 3 . . . A 80 PHE HE1 . 25098 1 564 . 1 1 55 55 PHE HE2 H 1 6.938 0.015 . 3 . . . A 80 PHE HE2 . 25098 1 565 . 1 1 55 55 PHE CA C 13 53.684 0.162 . 1 . . . A 80 PHE CA . 25098 1 566 . 1 1 55 55 PHE CB C 13 39.905 0.106 . 1 . . . A 80 PHE CB . 25098 1 567 . 1 1 55 55 PHE N N 15 123.479 0.037 . 1 . . . A 80 PHE N . 25098 1 568 . 1 1 56 56 PRO HA H 1 4.427 0.015 . 1 . . . A 81 PRO HA . 25098 1 569 . 1 1 56 56 PRO HB2 H 1 2.085 0.005 . 2 . . . A 81 PRO HB2 . 25098 1 570 . 1 1 56 56 PRO HB3 H 1 2.408 0.005 . 2 . . . A 81 PRO HB3 . 25098 1 571 . 1 1 56 56 PRO HG2 H 1 2.122 0.012 . 2 . . . A 81 PRO HG2 . 25098 1 572 . 1 1 56 56 PRO HG3 H 1 2.019 0.004 . 2 . . . A 81 PRO HG3 . 25098 1 573 . 1 1 56 56 PRO HD2 H 1 3.658 0.007 . 2 . . . A 81 PRO HD2 . 25098 1 574 . 1 1 56 56 PRO HD3 H 1 4.349 0.003 . 2 . . . A 81 PRO HD3 . 25098 1 575 . 1 1 56 56 PRO CA C 13 65.254 0.025 . 1 . . . A 81 PRO CA . 25098 1 576 . 1 1 56 56 PRO CB C 13 32.319 0.027 . 1 . . . A 81 PRO CB . 25098 1 577 . 1 1 56 56 PRO CG C 13 27.236 0.070 . 1 . . . A 81 PRO CG . 25098 1 578 . 1 1 56 56 PRO CD C 13 51.430 0.037 . 1 . . . A 81 PRO CD . 25098 1 579 . 1 1 57 57 ASP H H 1 8.692 0.005 . 1 . . . A 82 ASP H . 25098 1 580 . 1 1 57 57 ASP HA H 1 4.484 0.003 . 1 . . . A 82 ASP HA . 25098 1 581 . 1 1 57 57 ASP HB2 H 1 2.387 0.008 . 2 . . . A 82 ASP HB2 . 25098 1 582 . 1 1 57 57 ASP HB3 H 1 2.193 0.008 . 2 . . . A 82 ASP HB3 . 25098 1 583 . 1 1 57 57 ASP CA C 13 55.569 0.007 . 1 . . . A 82 ASP CA . 25098 1 584 . 1 1 57 57 ASP CB C 13 41.625 0.030 . 1 . . . A 82 ASP CB . 25098 1 585 . 1 1 57 57 ASP N N 15 114.119 0.017 . 1 . . . A 82 ASP N . 25098 1 586 . 1 1 58 58 PHE H H 1 7.434 0.002 . 1 . . . A 83 PHE H . 25098 1 587 . 1 1 58 58 PHE HA H 1 4.618 0.012 . 1 . . . A 83 PHE HA . 25098 1 588 . 1 1 58 58 PHE HB2 H 1 3.480 0.006 . 2 . . . A 83 PHE HB2 . 25098 1 589 . 1 1 58 58 PHE HB3 H 1 2.393 0.010 . 2 . . . A 83 PHE HB3 . 25098 1 590 . 1 1 58 58 PHE HD1 H 1 7.280 0.008 . 3 . . . A 83 PHE HD1 . 25098 1 591 . 1 1 58 58 PHE HD2 H 1 7.280 0.008 . 3 . . . A 83 PHE HD2 . 25098 1 592 . 1 1 58 58 PHE HE1 H 1 7.102 0.001 . 3 . . . A 83 PHE HE1 . 25098 1 593 . 1 1 58 58 PHE HE2 H 1 7.102 0.001 . 3 . . . A 83 PHE HE2 . 25098 1 594 . 1 1 58 58 PHE HZ H 1 6.922 0.013 . 1 . . . A 83 PHE HZ . 25098 1 595 . 1 1 58 58 PHE CA C 13 57.454 0.096 . 1 . . . A 83 PHE CA . 25098 1 596 . 1 1 58 58 PHE CB C 13 41.445 0.081 . 1 . . . A 83 PHE CB . 25098 1 597 . 1 1 58 58 PHE N N 15 113.198 0.014 . 1 . . . A 83 PHE N . 25098 1 598 . 1 1 59 59 GLY H H 1 7.677 0.002 . 1 . . . A 84 GLY H . 25098 1 599 . 1 1 59 59 GLY HA2 H 1 3.753 0.003 . 2 . . . A 84 GLY HA2 . 25098 1 600 . 1 1 59 59 GLY HA3 H 1 3.972 0.003 . 2 . . . A 84 GLY HA3 . 25098 1 601 . 1 1 59 59 GLY CA C 13 46.552 0.038 . 1 . . . A 84 GLY CA . 25098 1 602 . 1 1 59 59 GLY N N 15 108.212 0.014 . 1 . . . A 84 GLY N . 25098 1 603 . 1 1 60 60 VAL H H 1 7.075 0.002 . 1 . . . A 85 VAL H . 25098 1 604 . 1 1 60 60 VAL HA H 1 4.270 0.011 . 1 . . . A 85 VAL HA . 25098 1 605 . 1 1 60 60 VAL HB H 1 1.964 0.010 . 1 . . . A 85 VAL HB . 25098 1 606 . 1 1 60 60 VAL HG11 H 1 0.762 0.012 . 2 . . . A 85 VAL HG11 . 25098 1 607 . 1 1 60 60 VAL HG12 H 1 0.762 0.012 . 2 . . . A 85 VAL HG12 . 25098 1 608 . 1 1 60 60 VAL HG13 H 1 0.762 0.012 . 2 . . . A 85 VAL HG13 . 25098 1 609 . 1 1 60 60 VAL HG21 H 1 0.916 0.006 . 2 . . . A 85 VAL HG21 . 25098 1 610 . 1 1 60 60 VAL HG22 H 1 0.916 0.006 . 2 . . . A 85 VAL HG22 . 25098 1 611 . 1 1 60 60 VAL HG23 H 1 0.916 0.006 . 2 . . . A 85 VAL HG23 . 25098 1 612 . 1 1 60 60 VAL CA C 13 61.664 0.020 . 1 . . . A 85 VAL CA . 25098 1 613 . 1 1 60 60 VAL CB C 13 34.286 0.020 . 1 . . . A 85 VAL CB . 25098 1 614 . 1 1 60 60 VAL CG1 C 13 20.366 0.028 . 1 . . . A 85 VAL CG1 . 25098 1 615 . 1 1 60 60 VAL CG2 C 13 20.581 0.032 . 1 . . . A 85 VAL CG2 . 25098 1 616 . 1 1 60 60 VAL N N 15 117.875 0.017 . 1 . . . A 85 VAL N . 25098 1 617 . 1 1 61 61 HIS H H 1 8.921 0.002 . 1 . . . A 86 HIS H . 25098 1 618 . 1 1 61 61 HIS HA H 1 5.204 0.013 . 1 . . . A 86 HIS HA . 25098 1 619 . 1 1 61 61 HIS HB2 H 1 3.184 0.006 . 2 . . . A 86 HIS HB2 . 25098 1 620 . 1 1 61 61 HIS HB3 H 1 3.032 0.008 . 2 . . . A 86 HIS HB3 . 25098 1 621 . 1 1 61 61 HIS HD2 H 1 6.833 0.002 . 1 . . . A 86 HIS HD2 . 25098 1 622 . 1 1 61 61 HIS HE1 H 1 7.979 0.000 . 1 . . . A 86 HIS HE1 . 25098 1 623 . 1 1 61 61 HIS CA C 13 55.513 0.012 . 1 . . . A 86 HIS CA . 25098 1 624 . 1 1 61 61 HIS CB C 13 31.131 0.015 . 1 . . . A 86 HIS CB . 25098 1 625 . 1 1 61 61 HIS N N 15 129.355 0.007 . 1 . . . A 86 HIS N . 25098 1 626 . 1 1 62 62 ALA H H 1 8.799 0.004 . 1 . . . A 87 ALA H . 25098 1 627 . 1 1 62 62 ALA HA H 1 4.749 0.008 . 1 . . . A 87 ALA HA . 25098 1 628 . 1 1 62 62 ALA HB1 H 1 1.053 0.007 . 1 . . . A 87 ALA HB1 . 25098 1 629 . 1 1 62 62 ALA HB2 H 1 1.053 0.007 . 1 . . . A 87 ALA HB2 . 25098 1 630 . 1 1 62 62 ALA HB3 H 1 1.053 0.007 . 1 . . . A 87 ALA HB3 . 25098 1 631 . 1 1 62 62 ALA CA C 13 50.886 0.041 . 1 . . . A 87 ALA CA . 25098 1 632 . 1 1 62 62 ALA CB C 13 22.088 0.136 . 1 . . . A 87 ALA CB . 25098 1 633 . 1 1 62 62 ALA N N 15 126.717 0.013 . 1 . . . A 87 ALA N . 25098 1 634 . 1 1 63 63 ASN H H 1 8.230 0.001 . 1 . . . A 88 ASN H . 25098 1 635 . 1 1 63 63 ASN HA H 1 5.125 0.011 . 1 . . . A 88 ASN HA . 25098 1 636 . 1 1 63 63 ASN HB2 H 1 2.552 0.004 . 2 . . . A 88 ASN HB2 . 25098 1 637 . 1 1 63 63 ASN HB3 H 1 2.510 0.007 . 2 . . . A 88 ASN HB3 . 25098 1 638 . 1 1 63 63 ASN CA C 13 51.796 0.107 . 1 . . . A 88 ASN CA . 25098 1 639 . 1 1 63 63 ASN CB C 13 39.015 0.000 . 1 . . . A 88 ASN CB . 25098 1 640 . 1 1 63 63 ASN N N 15 119.348 0.019 . 1 . . . A 88 ASN N . 25098 1 641 . 1 1 64 64 LEU H H 1 8.356 0.004 . 1 . . . A 89 LEU H . 25098 1 642 . 1 1 64 64 LEU HA H 1 4.440 0.006 . 1 . . . A 89 LEU HA . 25098 1 643 . 1 1 64 64 LEU HB2 H 1 1.664 0.008 . 2 . . . A 89 LEU HB2 . 25098 1 644 . 1 1 64 64 LEU HB3 H 1 1.359 0.009 . 2 . . . A 89 LEU HB3 . 25098 1 645 . 1 1 64 64 LEU HG H 1 1.236 0.010 . 1 . . . A 89 LEU HG . 25098 1 646 . 1 1 64 64 LEU HD11 H 1 0.532 0.006 . 2 . . . A 89 LEU HD11 . 25098 1 647 . 1 1 64 64 LEU HD12 H 1 0.532 0.006 . 2 . . . A 89 LEU HD12 . 25098 1 648 . 1 1 64 64 LEU HD13 H 1 0.532 0.006 . 2 . . . A 89 LEU HD13 . 25098 1 649 . 1 1 64 64 LEU HD21 H 1 0.752 0.008 . 2 . . . A 89 LEU HD21 . 25098 1 650 . 1 1 64 64 LEU HD22 H 1 0.752 0.008 . 2 . . . A 89 LEU HD22 . 25098 1 651 . 1 1 64 64 LEU HD23 H 1 0.752 0.008 . 2 . . . A 89 LEU HD23 . 25098 1 652 . 1 1 64 64 LEU CA C 13 50.791 0.024 . 1 . . . A 89 LEU CA . 25098 1 653 . 1 1 64 64 LEU CB C 13 42.662 0.024 . 1 . . . A 89 LEU CB . 25098 1 654 . 1 1 64 64 LEU CG C 13 26.598 0.016 . 1 . . . A 89 LEU CG . 25098 1 655 . 1 1 64 64 LEU CD1 C 13 23.539 0.007 . 1 . . . A 89 LEU CD1 . 25098 1 656 . 1 1 64 64 LEU CD2 C 13 26.647 0.022 . 1 . . . A 89 LEU CD2 . 25098 1 657 . 1 1 64 64 LEU N N 15 122.766 0.021 . 1 . . . A 89 LEU N . 25098 1 658 . 1 1 65 65 PRO HA H 1 4.434 0.010 . 1 . . . A 90 PRO HA . 25098 1 659 . 1 1 65 65 PRO HG2 H 1 2.200 0.004 . 2 . . . A 90 PRO HG2 . 25098 1 660 . 1 1 65 65 PRO HG3 H 1 1.993 0.001 . 2 . . . A 90 PRO HG3 . 25098 1 661 . 1 1 65 65 PRO HD2 H 1 3.813 0.018 . 2 . . . A 90 PRO HD2 . 25098 1 662 . 1 1 65 65 PRO HD3 H 1 3.895 0.009 . 2 . . . A 90 PRO HD3 . 25098 1 663 . 1 1 65 65 PRO CA C 13 61.669 0.024 . 1 . . . A 90 PRO CA . 25098 1 664 . 1 1 65 65 PRO CG C 13 27.162 0.016 . 1 . . . A 90 PRO CG . 25098 1 665 . 1 1 65 65 PRO CD C 13 50.955 0.054 . 1 . . . A 90 PRO CD . 25098 1 666 . 1 1 66 66 MET H H 1 8.709 0.001 . 1 . . . A 91 MET H . 25098 1 667 . 1 1 66 66 MET HA H 1 4.144 0.008 . 1 . . . A 91 MET HA . 25098 1 668 . 1 1 66 66 MET HB2 H 1 2.012 0.021 . 2 . . . A 91 MET HB2 . 25098 1 669 . 1 1 66 66 MET HB3 H 1 1.815 0.018 . 2 . . . A 91 MET HB3 . 25098 1 670 . 1 1 66 66 MET HG2 H 1 2.333 0.013 . 2 . . . A 91 MET HG2 . 25098 1 671 . 1 1 66 66 MET HG3 H 1 2.668 0.014 . 2 . . . A 91 MET HG3 . 25098 1 672 . 1 1 66 66 MET HE1 H 1 1.920 0.011 . 1 . . . A 91 MET HE1 . 25098 1 673 . 1 1 66 66 MET HE2 H 1 1.920 0.011 . 1 . . . A 91 MET HE2 . 25098 1 674 . 1 1 66 66 MET HE3 H 1 1.920 0.011 . 1 . . . A 91 MET HE3 . 25098 1 675 . 1 1 66 66 MET CA C 13 55.460 0.073 . 1 . . . A 91 MET CA . 25098 1 676 . 1 1 66 66 MET CB C 13 30.951 0.074 . 1 . . . A 91 MET CB . 25098 1 677 . 1 1 66 66 MET CG C 13 32.953 0.176 . 1 . . . A 91 MET CG . 25098 1 678 . 1 1 66 66 MET CE C 13 17.363 0.024 . 1 . . . A 91 MET CE . 25098 1 679 . 1 1 66 66 MET N N 15 121.751 0.020 . 1 . . . A 91 MET N . 25098 1 680 . 1 1 67 67 GLY H H 1 8.325 0.004 . 1 . . . A 92 GLY H . 25098 1 681 . 1 1 67 67 GLY HA2 H 1 4.127 0.011 . 2 . . . A 92 GLY HA2 . 25098 1 682 . 1 1 67 67 GLY HA3 H 1 3.902 0.007 . 2 . . . A 92 GLY HA3 . 25098 1 683 . 1 1 67 67 GLY CA C 13 46.265 0.010 . 1 . . . A 92 GLY CA . 25098 1 684 . 1 1 67 67 GLY N N 15 112.856 0.029 . 1 . . . A 92 GLY N . 25098 1 685 . 1 1 68 68 GLU H H 1 7.331 0.002 . 1 . . . A 93 GLU H . 25098 1 686 . 1 1 68 68 GLU HA H 1 4.747 0.015 . 1 . . . A 93 GLU HA . 25098 1 687 . 1 1 68 68 GLU HB2 H 1 2.181 0.011 . 2 . . . A 93 GLU HB2 . 25098 1 688 . 1 1 68 68 GLU HB3 H 1 1.752 0.012 . 2 . . . A 93 GLU HB3 . 25098 1 689 . 1 1 68 68 GLU HG2 H 1 2.194 0.013 . 2 . . . A 93 GLU HG2 . 25098 1 690 . 1 1 68 68 GLU HG3 H 1 2.190 0.021 . 2 . . . A 93 GLU HG3 . 25098 1 691 . 1 1 68 68 GLU CA C 13 54.151 0.058 . 1 . . . A 93 GLU CA . 25098 1 692 . 1 1 68 68 GLU CB C 13 33.784 0.018 . 1 . . . A 93 GLU CB . 25098 1 693 . 1 1 68 68 GLU CG C 13 35.892 0.006 . 1 . . . A 93 GLU CG . 25098 1 694 . 1 1 68 68 GLU N N 15 116.930 0.018 . 1 . . . A 93 GLU N . 25098 1 695 . 1 1 69 69 GLU H H 1 8.418 0.004 . 1 . . . A 94 GLU H . 25098 1 696 . 1 1 69 69 GLU HA H 1 5.103 0.009 . 1 . . . A 94 GLU HA . 25098 1 697 . 1 1 69 69 GLU HB2 H 1 1.855 0.000 . 2 . . . A 94 GLU HB2 . 25098 1 698 . 1 1 69 69 GLU HB3 H 1 1.678 0.008 . 2 . . . A 94 GLU HB3 . 25098 1 699 . 1 1 69 69 GLU HG2 H 1 2.287 0.008 . 2 . . . A 94 GLU HG2 . 25098 1 700 . 1 1 69 69 GLU HG3 H 1 1.945 0.002 . 2 . . . A 94 GLU HG3 . 25098 1 701 . 1 1 69 69 GLU CA C 13 55.340 0.008 . 1 . . . A 94 GLU CA . 25098 1 702 . 1 1 69 69 GLU CB C 13 31.196 0.036 . 1 . . . A 94 GLU CB . 25098 1 703 . 1 1 69 69 GLU CG C 13 36.606 0.077 . 1 . . . A 94 GLU CG . 25098 1 704 . 1 1 69 69 GLU N N 15 119.837 0.010 . 1 . . . A 94 GLU N . 25098 1 705 . 1 1 70 70 TYR H H 1 9.059 0.005 . 1 . . . A 95 TYR H . 25098 1 706 . 1 1 70 70 TYR HA H 1 4.637 0.006 . 1 . . . A 95 TYR HA . 25098 1 707 . 1 1 70 70 TYR HB2 H 1 2.982 0.013 . 2 . . . A 95 TYR HB2 . 25098 1 708 . 1 1 70 70 TYR HD1 H 1 6.917 0.015 . 3 . . . A 95 TYR HD1 . 25098 1 709 . 1 1 70 70 TYR HD2 H 1 6.917 0.015 . 3 . . . A 95 TYR HD2 . 25098 1 710 . 1 1 70 70 TYR HE1 H 1 6.673 0.010 . 3 . . . A 95 TYR HE1 . 25098 1 711 . 1 1 70 70 TYR HE2 H 1 6.673 0.010 . 3 . . . A 95 TYR HE2 . 25098 1 712 . 1 1 70 70 TYR CA C 13 58.125 0.098 . 1 . . . A 95 TYR CA . 25098 1 713 . 1 1 70 70 TYR CB C 13 43.144 0.011 . 1 . . . A 95 TYR CB . 25098 1 714 . 1 1 70 70 TYR N N 15 124.949 0.021 . 1 . . . A 95 TYR N . 25098 1 715 . 1 1 71 71 VAL H H 1 7.795 0.002 . 1 . . . A 96 VAL H . 25098 1 716 . 1 1 71 71 VAL HA H 1 4.440 0.015 . 1 . . . A 96 VAL HA . 25098 1 717 . 1 1 71 71 VAL HB H 1 1.722 0.013 . 1 . . . A 96 VAL HB . 25098 1 718 . 1 1 71 71 VAL HG11 H 1 0.758 0.011 . 2 . . . A 96 VAL HG11 . 25098 1 719 . 1 1 71 71 VAL HG12 H 1 0.758 0.011 . 2 . . . A 96 VAL HG12 . 25098 1 720 . 1 1 71 71 VAL HG13 H 1 0.758 0.011 . 2 . . . A 96 VAL HG13 . 25098 1 721 . 1 1 71 71 VAL HG21 H 1 0.538 0.005 . 2 . . . A 96 VAL HG21 . 25098 1 722 . 1 1 71 71 VAL HG22 H 1 0.538 0.005 . 2 . . . A 96 VAL HG22 . 25098 1 723 . 1 1 71 71 VAL HG23 H 1 0.538 0.005 . 2 . . . A 96 VAL HG23 . 25098 1 724 . 1 1 71 71 VAL CA C 13 61.772 0.005 . 1 . . . A 96 VAL CA . 25098 1 725 . 1 1 71 71 VAL CB C 13 32.805 0.077 . 1 . . . A 96 VAL CB . 25098 1 726 . 1 1 71 71 VAL CG1 C 13 21.570 0.000 . 1 . . . A 96 VAL CG1 . 25098 1 727 . 1 1 71 71 VAL CG2 C 13 21.392 0.072 . 1 . . . A 96 VAL CG2 . 25098 1 728 . 1 1 71 71 VAL N N 15 128.075 0.010 . 1 . . . A 96 VAL N . 25098 1 729 . 1 1 72 72 VAL H H 1 9.110 0.014 . 1 . . . A 97 VAL H . 25098 1 730 . 1 1 72 72 VAL HA H 1 3.917 0.011 . 1 . . . A 97 VAL HA . 25098 1 731 . 1 1 72 72 VAL HB H 1 2.048 0.008 . 1 . . . A 97 VAL HB . 25098 1 732 . 1 1 72 72 VAL HG11 H 1 1.064 0.014 . 2 . . . A 97 VAL HG11 . 25098 1 733 . 1 1 72 72 VAL HG12 H 1 1.064 0.014 . 2 . . . A 97 VAL HG12 . 25098 1 734 . 1 1 72 72 VAL HG13 H 1 1.064 0.014 . 2 . . . A 97 VAL HG13 . 25098 1 735 . 1 1 72 72 VAL HG21 H 1 0.324 0.007 . 2 . . . A 97 VAL HG21 . 25098 1 736 . 1 1 72 72 VAL HG22 H 1 0.324 0.007 . 2 . . . A 97 VAL HG22 . 25098 1 737 . 1 1 72 72 VAL HG23 H 1 0.324 0.007 . 2 . . . A 97 VAL HG23 . 25098 1 738 . 1 1 72 72 VAL CA C 13 61.821 0.006 . 1 . . . A 97 VAL CA . 25098 1 739 . 1 1 72 72 VAL CB C 13 33.313 0.005 . 1 . . . A 97 VAL CB . 25098 1 740 . 1 1 72 72 VAL CG1 C 13 21.898 0.011 . 1 . . . A 97 VAL CG1 . 25098 1 741 . 1 1 72 72 VAL CG2 C 13 20.950 0.009 . 1 . . . A 97 VAL CG2 . 25098 1 742 . 1 1 72 72 VAL N N 15 129.541 0.019 . 1 . . . A 97 VAL N . 25098 1 743 . 1 1 73 73 GLU H H 1 8.166 0.001 . 1 . . . A 98 GLU H . 25098 1 744 . 1 1 73 73 GLU HA H 1 5.237 0.008 . 1 . . . A 98 GLU HA . 25098 1 745 . 1 1 73 73 GLU HB3 H 1 1.744 0.008 . 2 . . . A 98 GLU HB3 . 25098 1 746 . 1 1 73 73 GLU HG2 H 1 1.823 0.003 . 2 . . . A 98 GLU HG2 . 25098 1 747 . 1 1 73 73 GLU HG3 H 1 1.982 0.010 . 2 . . . A 98 GLU HG3 . 25098 1 748 . 1 1 73 73 GLU CA C 13 54.576 0.028 . 1 . . . A 98 GLU CA . 25098 1 749 . 1 1 73 73 GLU CB C 13 30.995 0.099 . 1 . . . A 98 GLU CB . 25098 1 750 . 1 1 73 73 GLU CG C 13 37.425 0.022 . 1 . . . A 98 GLU CG . 25098 1 751 . 1 1 73 73 GLU N N 15 127.575 0.013 . 1 . . . A 98 GLU N . 25098 1 752 . 1 1 74 74 ILE H H 1 7.881 0.001 . 1 . . . A 99 ILE H . 25098 1 753 . 1 1 74 74 ILE HA H 1 4.386 0.007 . 1 . . . A 99 ILE HA . 25098 1 754 . 1 1 74 74 ILE HB H 1 1.073 0.004 . 1 . . . A 99 ILE HB . 25098 1 755 . 1 1 74 74 ILE HG12 H 1 0.326 0.008 . 2 . . . A 99 ILE HG12 . 25098 1 756 . 1 1 74 74 ILE HG13 H 1 0.761 0.007 . 2 . . . A 99 ILE HG13 . 25098 1 757 . 1 1 74 74 ILE HG21 H 1 0.158 0.006 . 1 . . . A 99 ILE HG21 . 25098 1 758 . 1 1 74 74 ILE HG22 H 1 0.158 0.006 . 1 . . . A 99 ILE HG22 . 25098 1 759 . 1 1 74 74 ILE HG23 H 1 0.158 0.006 . 1 . . . A 99 ILE HG23 . 25098 1 760 . 1 1 74 74 ILE HD11 H 1 -0.454 0.003 . 1 . . . A 99 ILE HD11 . 25098 1 761 . 1 1 74 74 ILE HD12 H 1 -0.454 0.003 . 1 . . . A 99 ILE HD12 . 25098 1 762 . 1 1 74 74 ILE HD13 H 1 -0.454 0.003 . 1 . . . A 99 ILE HD13 . 25098 1 763 . 1 1 74 74 ILE CA C 13 59.143 0.045 . 1 . . . A 99 ILE CA . 25098 1 764 . 1 1 74 74 ILE CB C 13 43.580 0.018 . 1 . . . A 99 ILE CB . 25098 1 765 . 1 1 74 74 ILE CG1 C 13 25.364 0.104 . 1 . . . A 99 ILE CG1 . 25098 1 766 . 1 1 74 74 ILE CG2 C 13 17.835 0.016 . 1 . . . A 99 ILE CG2 . 25098 1 767 . 1 1 74 74 ILE CD1 C 13 12.654 0.006 . 1 . . . A 99 ILE CD1 . 25098 1 768 . 1 1 74 74 ILE N N 15 118.374 0.016 . 1 . . . A 99 ILE N . 25098 1 769 . 1 1 75 75 THR H H 1 8.885 0.002 . 1 . . . A 100 THR H . 25098 1 770 . 1 1 75 75 THR HA H 1 4.717 0.007 . 1 . . . A 100 THR HA . 25098 1 771 . 1 1 75 75 THR HB H 1 4.078 0.007 . 1 . . . A 100 THR HB . 25098 1 772 . 1 1 75 75 THR HG21 H 1 0.796 0.009 . 1 . . . A 100 THR HG21 . 25098 1 773 . 1 1 75 75 THR HG22 H 1 0.796 0.009 . 1 . . . A 100 THR HG22 . 25098 1 774 . 1 1 75 75 THR HG23 H 1 0.796 0.009 . 1 . . . A 100 THR HG23 . 25098 1 775 . 1 1 75 75 THR CA C 13 58.983 0.112 . 1 . . . A 100 THR CA . 25098 1 776 . 1 1 75 75 THR CB C 13 69.121 0.025 . 1 . . . A 100 THR CB . 25098 1 777 . 1 1 75 75 THR CG2 C 13 21.408 0.005 . 1 . . . A 100 THR CG2 . 25098 1 778 . 1 1 75 75 THR N N 15 119.619 0.006 . 1 . . . A 100 THR N . 25098 1 779 . 1 1 76 76 PRO HA H 1 4.620 0.012 . 1 . . . A 101 PRO HA . 25098 1 780 . 1 1 76 76 PRO HB2 H 1 2.227 0.004 . 2 . . . A 101 PRO HB2 . 25098 1 781 . 1 1 76 76 PRO HB3 H 1 1.647 0.002 . 2 . . . A 101 PRO HB3 . 25098 1 782 . 1 1 76 76 PRO HG2 H 1 2.338 0.004 . 2 . . . A 101 PRO HG2 . 25098 1 783 . 1 1 76 76 PRO HG3 H 1 1.567 0.001 . 2 . . . A 101 PRO HG3 . 25098 1 784 . 1 1 76 76 PRO HD2 H 1 3.406 0.012 . 2 . . . A 101 PRO HD2 . 25098 1 785 . 1 1 76 76 PRO HD3 H 1 3.819 0.010 . 2 . . . A 101 PRO HD3 . 25098 1 786 . 1 1 76 76 PRO CA C 13 62.096 0.050 . 1 . . . A 101 PRO CA . 25098 1 787 . 1 1 76 76 PRO CB C 13 32.296 0.017 . 1 . . . A 101 PRO CB . 25098 1 788 . 1 1 76 76 PRO CG C 13 27.075 0.159 . 1 . . . A 101 PRO CG . 25098 1 789 . 1 1 77 77 GLU H H 1 8.574 0.008 . 1 . . . A 102 GLU H . 25098 1 790 . 1 1 77 77 GLU HA H 1 4.379 0.004 . 1 . . . A 102 GLU HA . 25098 1 791 . 1 1 77 77 GLU HB2 H 1 2.210 0.007 . 2 . . . A 102 GLU HB2 . 25098 1 792 . 1 1 77 77 GLU HB3 H 1 1.822 0.012 . 2 . . . A 102 GLU HB3 . 25098 1 793 . 1 1 77 77 GLU HG2 H 1 2.310 0.018 . 2 . . . A 102 GLU HG2 . 25098 1 794 . 1 1 77 77 GLU HG3 H 1 2.115 0.011 . 2 . . . A 102 GLU HG3 . 25098 1 795 . 1 1 77 77 GLU CA C 13 56.649 0.044 . 1 . . . A 102 GLU CA . 25098 1 796 . 1 1 77 77 GLU CB C 13 30.740 0.037 . 1 . . . A 102 GLU CB . 25098 1 797 . 1 1 77 77 GLU CG C 13 35.735 0.088 . 1 . . . A 102 GLU CG . 25098 1 798 . 1 1 77 77 GLU N N 15 124.589 0.033 . 1 . . . A 102 GLU N . 25098 1 799 . 1 1 78 78 GLN H H 1 8.518 0.007 . 1 . . . A 103 GLN H . 25098 1 800 . 1 1 78 78 GLN HA H 1 4.662 0.009 . 1 . . . A 103 GLN HA . 25098 1 801 . 1 1 78 78 GLN HB2 H 1 2.144 0.007 . 2 . . . A 103 GLN HB2 . 25098 1 802 . 1 1 78 78 GLN HB3 H 1 1.947 0.009 . 2 . . . A 103 GLN HB3 . 25098 1 803 . 1 1 78 78 GLN HG3 H 1 2.415 0.019 . 2 . . . A 103 GLN HG3 . 25098 1 804 . 1 1 78 78 GLN CA C 13 53.956 0.069 . 1 . . . A 103 GLN CA . 25098 1 805 . 1 1 78 78 GLN CB C 13 31.762 0.006 . 1 . . . A 103 GLN CB . 25098 1 806 . 1 1 78 78 GLN CG C 13 33.884 0.066 . 1 . . . A 103 GLN CG . 25098 1 807 . 1 1 78 78 GLN N N 15 118.304 0.017 . 1 . . . A 103 GLN N . 25098 1 808 . 1 1 79 79 ALA H H 1 8.575 0.004 . 1 . . . A 104 ALA H . 25098 1 809 . 1 1 79 79 ALA HA H 1 4.195 0.009 . 1 . . . A 104 ALA HA . 25098 1 810 . 1 1 79 79 ALA HB1 H 1 1.432 0.010 . 1 . . . A 104 ALA HB1 . 25098 1 811 . 1 1 79 79 ALA HB2 H 1 1.432 0.010 . 1 . . . A 104 ALA HB2 . 25098 1 812 . 1 1 79 79 ALA HB3 H 1 1.432 0.010 . 1 . . . A 104 ALA HB3 . 25098 1 813 . 1 1 79 79 ALA CA C 13 51.886 0.011 . 1 . . . A 104 ALA CA . 25098 1 814 . 1 1 79 79 ALA CB C 13 19.377 0.019 . 1 . . . A 104 ALA CB . 25098 1 815 . 1 1 79 79 ALA N N 15 124.603 0.038 . 1 . . . A 104 ALA N . 25098 1 816 . 1 1 80 80 GLY H H 1 8.710 0.001 . 1 . . . A 105 GLY H . 25098 1 817 . 1 1 80 80 GLY HA2 H 1 4.146 0.011 . 2 . . . A 105 GLY HA2 . 25098 1 818 . 1 1 80 80 GLY HA3 H 1 3.754 0.007 . 2 . . . A 105 GLY HA3 . 25098 1 819 . 1 1 80 80 GLY CA C 13 44.726 0.030 . 1 . . . A 105 GLY CA . 25098 1 820 . 1 1 80 80 GLY N N 15 108.486 0.019 . 1 . . . A 105 GLY N . 25098 1 821 . 1 1 81 81 GLU H H 1 7.620 0.001 . 1 . . . A 106 GLU H . 25098 1 822 . 1 1 81 81 GLU HA H 1 5.098 0.011 . 1 . . . A 106 GLU HA . 25098 1 823 . 1 1 81 81 GLU HB2 H 1 1.743 0.012 . 2 . . . A 106 GLU HB2 . 25098 1 824 . 1 1 81 81 GLU HB3 H 1 1.737 0.006 . 2 . . . A 106 GLU HB3 . 25098 1 825 . 1 1 81 81 GLU HG2 H 1 2.146 0.009 . 2 . . . A 106 GLU HG2 . 25098 1 826 . 1 1 81 81 GLU HG3 H 1 2.013 0.007 . 2 . . . A 106 GLU HG3 . 25098 1 827 . 1 1 81 81 GLU CA C 13 54.382 0.135 . 1 . . . A 106 GLU CA . 25098 1 828 . 1 1 81 81 GLU CB C 13 31.878 0.000 . 1 . . . A 106 GLU CB . 25098 1 829 . 1 1 81 81 GLU CG C 13 36.476 0.008 . 1 . . . A 106 GLU CG . 25098 1 830 . 1 1 81 81 GLU N N 15 118.462 0.008 . 1 . . . A 106 GLU N . 25098 1 831 . 1 1 82 82 PHE H H 1 9.381 0.009 . 1 . . . A 107 PHE H . 25098 1 832 . 1 1 82 82 PHE HA H 1 4.999 0.005 . 1 . . . A 107 PHE HA . 25098 1 833 . 1 1 82 82 PHE HB2 H 1 3.770 0.009 . 2 . . . A 107 PHE HB2 . 25098 1 834 . 1 1 82 82 PHE HB3 H 1 2.999 0.007 . 2 . . . A 107 PHE HB3 . 25098 1 835 . 1 1 82 82 PHE HD1 H 1 7.242 0.019 . 1 . . . A 107 PHE HD1 . 25098 1 836 . 1 1 82 82 PHE HD2 H 1 7.242 0.019 . 1 . . . A 107 PHE HD2 . 25098 1 837 . 1 1 82 82 PHE HE1 H 1 7.386 0.000 . 1 . . . A 107 PHE HE1 . 25098 1 838 . 1 1 82 82 PHE HE2 H 1 7.386 0.000 . 1 . . . A 107 PHE HE2 . 25098 1 839 . 1 1 82 82 PHE HZ H 1 7.142 0.000 . 1 . . . A 107 PHE HZ . 25098 1 840 . 1 1 82 82 PHE CA C 13 56.623 0.052 . 1 . . . A 107 PHE CA . 25098 1 841 . 1 1 82 82 PHE CB C 13 43.035 0.027 . 1 . . . A 107 PHE CB . 25098 1 842 . 1 1 82 82 PHE N N 15 123.388 0.013 . 1 . . . A 107 PHE N . 25098 1 843 . 1 1 83 83 SER H H 1 8.846 0.005 . 1 . . . A 108 SER H . 25098 1 844 . 1 1 83 83 SER HA H 1 5.137 0.011 . 1 . . . A 108 SER HA . 25098 1 845 . 1 1 83 83 SER HB3 H 1 3.896 0.007 . 2 . . . A 108 SER HB3 . 25098 1 846 . 1 1 83 83 SER CA C 13 58.465 0.044 . 1 . . . A 108 SER CA . 25098 1 847 . 1 1 83 83 SER CB C 13 65.864 0.028 . 1 . . . A 108 SER CB . 25098 1 848 . 1 1 83 83 SER N N 15 117.621 0.017 . 1 . . . A 108 SER N . 25098 1 849 . 1 1 84 84 PHE H H 1 7.646 0.004 . 1 . . . A 109 PHE H . 25098 1 850 . 1 1 84 84 PHE HA H 1 5.154 0.015 . 1 . . . A 109 PHE HA . 25098 1 851 . 1 1 84 84 PHE HB2 H 1 1.523 0.018 . 2 . . . A 109 PHE HB2 . 25098 1 852 . 1 1 84 84 PHE HB3 H 1 1.863 0.006 . 2 . . . A 109 PHE HB3 . 25098 1 853 . 1 1 84 84 PHE HD1 H 1 6.310 0.012 . 1 . . . A 109 PHE HD1 . 25098 1 854 . 1 1 84 84 PHE HD2 H 1 6.310 0.012 . 1 . . . A 109 PHE HD2 . 25098 1 855 . 1 1 84 84 PHE HE1 H 1 6.399 0.011 . 1 . . . A 109 PHE HE1 . 25098 1 856 . 1 1 84 84 PHE HE2 H 1 6.399 0.011 . 1 . . . A 109 PHE HE2 . 25098 1 857 . 1 1 84 84 PHE CA C 13 55.800 0.048 . 1 . . . A 109 PHE CA . 25098 1 858 . 1 1 84 84 PHE CB C 13 39.858 0.036 . 1 . . . A 109 PHE CB . 25098 1 859 . 1 1 84 84 PHE N N 15 116.119 0.013 . 1 . . . A 109 PHE N . 25098 1 860 . 1 1 85 85 ALA H H 1 8.826 0.004 . 1 . . . A 110 ALA H . 25098 1 861 . 1 1 85 85 ALA HA H 1 5.258 0.003 . 1 . . . A 110 ALA HA . 25098 1 862 . 1 1 85 85 ALA HB1 H 1 1.467 0.012 . 1 . . . A 110 ALA HB1 . 25098 1 863 . 1 1 85 85 ALA HB2 H 1 1.467 0.012 . 1 . . . A 110 ALA HB2 . 25098 1 864 . 1 1 85 85 ALA HB3 H 1 1.467 0.012 . 1 . . . A 110 ALA HB3 . 25098 1 865 . 1 1 85 85 ALA CA C 13 50.940 0.027 . 1 . . . A 110 ALA CA . 25098 1 866 . 1 1 85 85 ALA CB C 13 24.724 0.037 . 1 . . . A 110 ALA CB . 25098 1 867 . 1 1 85 85 ALA N N 15 121.615 0.023 . 1 . . . A 110 ALA N . 25098 1 868 . 1 1 86 86 CYS H H 1 7.820 0.001 . 1 . . . A 111 CYS H . 25098 1 869 . 1 1 86 86 CYS HA H 1 5.372 0.015 . 1 . . . A 111 CYS HA . 25098 1 870 . 1 1 86 86 CYS HB2 H 1 3.280 0.003 . 2 . . . A 111 CYS HB2 . 25098 1 871 . 1 1 86 86 CYS HB3 H 1 3.061 0.003 . 2 . . . A 111 CYS HB3 . 25098 1 872 . 1 1 86 86 CYS CA C 13 55.651 0.036 . 1 . . . A 111 CYS CA . 25098 1 873 . 1 1 86 86 CYS CB C 13 33.551 0.040 . 1 . . . A 111 CYS CB . 25098 1 874 . 1 1 86 86 CYS N N 15 114.162 0.011 . 1 . . . A 111 CYS N . 25098 1 875 . 1 1 87 87 GLY H H 1 8.277 0.007 . 1 . . . A 112 GLY H . 25098 1 876 . 1 1 87 87 GLY N N 15 108.348 0.012 . 1 . . . A 112 GLY N . 25098 1 877 . 1 1 91 91 MET HE1 H 1 1.889 0.004 . 1 . . . A 116 MET HE1 . 25098 1 878 . 1 1 91 91 MET HE2 H 1 1.889 0.004 . 1 . . . A 116 MET HE2 . 25098 1 879 . 1 1 91 91 MET HE3 H 1 1.889 0.004 . 1 . . . A 116 MET HE3 . 25098 1 880 . 1 1 91 91 MET CE C 13 18.299 0.003 . 1 . . . A 116 MET CE . 25098 1 881 . 1 1 92 92 HIS H H 1 8.670 0.000 . 1 . . . A 117 HIS H . 25098 1 882 . 1 1 92 92 HIS HA H 1 4.540 0.005 . 1 . . . A 117 HIS HA . 25098 1 883 . 1 1 92 92 HIS HB2 H 1 3.540 0.001 . 2 . . . A 117 HIS HB2 . 25098 1 884 . 1 1 92 92 HIS HB3 H 1 3.815 0.001 . 2 . . . A 117 HIS HB3 . 25098 1 885 . 1 1 92 92 HIS CA C 13 56.897 0.047 . 1 . . . A 117 HIS CA . 25098 1 886 . 1 1 92 92 HIS CB C 13 29.675 0.006 . 1 . . . A 117 HIS CB . 25098 1 887 . 1 1 92 92 HIS N N 15 117.324 0.000 . 1 . . . A 117 HIS N . 25098 1 888 . 1 1 93 93 GLY H H 1 8.350 0.003 . 1 . . . A 118 GLY H . 25098 1 889 . 1 1 93 93 GLY HA2 H 1 4.334 0.008 . 2 . . . A 118 GLY HA2 . 25098 1 890 . 1 1 93 93 GLY HA3 H 1 2.445 0.012 . 2 . . . A 118 GLY HA3 . 25098 1 891 . 1 1 93 93 GLY CA C 13 43.143 0.019 . 1 . . . A 118 GLY CA . 25098 1 892 . 1 1 93 93 GLY N N 15 109.716 0.018 . 1 . . . A 118 GLY N . 25098 1 893 . 1 1 94 94 LYS H H 1 8.561 0.002 . 1 . . . A 119 LYS H . 25098 1 894 . 1 1 94 94 LYS HA H 1 4.949 0.013 . 1 . . . A 119 LYS HA . 25098 1 895 . 1 1 94 94 LYS HB3 H 1 1.700 0.008 . 2 . . . A 119 LYS HB3 . 25098 1 896 . 1 1 94 94 LYS HG2 H 1 1.387 0.013 . 2 . . . A 119 LYS HG2 . 25098 1 897 . 1 1 94 94 LYS HG3 H 1 1.317 0.018 . 2 . . . A 119 LYS HG3 . 25098 1 898 . 1 1 94 94 LYS HD3 H 1 1.575 0.011 . 2 . . . A 119 LYS HD3 . 25098 1 899 . 1 1 94 94 LYS HE3 H 1 2.831 0.006 . 2 . . . A 119 LYS HE3 . 25098 1 900 . 1 1 94 94 LYS CA C 13 55.192 0.113 . 1 . . . A 119 LYS CA . 25098 1 901 . 1 1 94 94 LYS CB C 13 36.931 0.036 . 1 . . . A 119 LYS CB . 25098 1 902 . 1 1 94 94 LYS CG C 13 25.105 0.072 . 1 . . . A 119 LYS CG . 25098 1 903 . 1 1 94 94 LYS CD C 13 29.009 0.049 . 1 . . . A 119 LYS CD . 25098 1 904 . 1 1 94 94 LYS CE C 13 41.655 0.092 . 1 . . . A 119 LYS CE . 25098 1 905 . 1 1 94 94 LYS N N 15 120.631 0.016 . 1 . . . A 119 LYS N . 25098 1 906 . 1 1 95 95 MET H H 1 9.329 0.002 . 1 . . . A 120 MET H . 25098 1 907 . 1 1 95 95 MET HA H 1 5.565 0.009 . 1 . . . A 120 MET HA . 25098 1 908 . 1 1 95 95 MET HB2 H 1 2.005 0.008 . 2 . . . A 120 MET HB2 . 25098 1 909 . 1 1 95 95 MET HB3 H 1 2.243 0.016 . 2 . . . A 120 MET HB3 . 25098 1 910 . 1 1 95 95 MET HG2 H 1 2.425 0.016 . 2 . . . A 120 MET HG2 . 25098 1 911 . 1 1 95 95 MET HG3 H 1 2.343 0.016 . 2 . . . A 120 MET HG3 . 25098 1 912 . 1 1 95 95 MET HE1 H 1 1.759 0.008 . 1 . . . A 120 MET HE1 . 25098 1 913 . 1 1 95 95 MET HE2 H 1 1.759 0.008 . 1 . . . A 120 MET HE2 . 25098 1 914 . 1 1 95 95 MET HE3 H 1 1.759 0.008 . 1 . . . A 120 MET HE3 . 25098 1 915 . 1 1 95 95 MET CA C 13 53.142 0.090 . 1 . . . A 120 MET CA . 25098 1 916 . 1 1 95 95 MET CB C 13 37.448 0.017 . 1 . . . A 120 MET CB . 25098 1 917 . 1 1 95 95 MET CG C 13 31.401 0.107 . 1 . . . A 120 MET CG . 25098 1 918 . 1 1 95 95 MET CE C 13 17.793 0.004 . 1 . . . A 120 MET CE . 25098 1 919 . 1 1 95 95 MET N N 15 123.525 0.015 . 1 . . . A 120 MET N . 25098 1 920 . 1 1 96 96 ILE H H 1 9.471 0.001 . 1 . . . A 121 ILE H . 25098 1 921 . 1 1 96 96 ILE HA H 1 4.890 0.010 . 1 . . . A 121 ILE HA . 25098 1 922 . 1 1 96 96 ILE HB H 1 1.843 0.009 . 1 . . . A 121 ILE HB . 25098 1 923 . 1 1 96 96 ILE HG12 H 1 1.225 0.011 . 2 . . . A 121 ILE HG12 . 25098 1 924 . 1 1 96 96 ILE HG13 H 1 1.582 0.007 . 2 . . . A 121 ILE HG13 . 25098 1 925 . 1 1 96 96 ILE HG21 H 1 0.916 0.017 . 1 . . . A 121 ILE HG21 . 25098 1 926 . 1 1 96 96 ILE HG22 H 1 0.916 0.017 . 1 . . . A 121 ILE HG22 . 25098 1 927 . 1 1 96 96 ILE HG23 H 1 0.916 0.017 . 1 . . . A 121 ILE HG23 . 25098 1 928 . 1 1 96 96 ILE HD11 H 1 0.885 0.010 . 1 . . . A 121 ILE HD11 . 25098 1 929 . 1 1 96 96 ILE HD12 H 1 0.885 0.010 . 1 . . . A 121 ILE HD12 . 25098 1 930 . 1 1 96 96 ILE HD13 H 1 0.885 0.010 . 1 . . . A 121 ILE HD13 . 25098 1 931 . 1 1 96 96 ILE CA C 13 60.048 0.110 . 1 . . . A 121 ILE CA . 25098 1 932 . 1 1 96 96 ILE CB C 13 39.806 0.022 . 1 . . . A 121 ILE CB . 25098 1 933 . 1 1 96 96 ILE CG1 C 13 28.244 0.044 . 1 . . . A 121 ILE CG1 . 25098 1 934 . 1 1 96 96 ILE CG2 C 13 17.615 0.027 . 1 . . . A 121 ILE CG2 . 25098 1 935 . 1 1 96 96 ILE CD1 C 13 13.230 0.009 . 1 . . . A 121 ILE CD1 . 25098 1 936 . 1 1 96 96 ILE N N 15 127.707 0.008 . 1 . . . A 121 ILE N . 25098 1 937 . 1 1 97 97 VAL H H 1 9.350 0.006 . 1 . . . A 122 VAL H . 25098 1 938 . 1 1 97 97 VAL HA H 1 4.994 0.010 . 1 . . . A 122 VAL HA . 25098 1 939 . 1 1 97 97 VAL HB H 1 2.535 0.009 . 1 . . . A 122 VAL HB . 25098 1 940 . 1 1 97 97 VAL HG11 H 1 0.765 0.011 . 2 . . . A 122 VAL HG11 . 25098 1 941 . 1 1 97 97 VAL HG12 H 1 0.765 0.011 . 2 . . . A 122 VAL HG12 . 25098 1 942 . 1 1 97 97 VAL HG13 H 1 0.765 0.011 . 2 . . . A 122 VAL HG13 . 25098 1 943 . 1 1 97 97 VAL HG21 H 1 1.067 0.013 . 2 . . . A 122 VAL HG21 . 25098 1 944 . 1 1 97 97 VAL HG22 H 1 1.067 0.013 . 2 . . . A 122 VAL HG22 . 25098 1 945 . 1 1 97 97 VAL HG23 H 1 1.067 0.013 . 2 . . . A 122 VAL HG23 . 25098 1 946 . 1 1 97 97 VAL CA C 13 60.618 0.007 . 1 . . . A 122 VAL CA . 25098 1 947 . 1 1 97 97 VAL CB C 13 33.297 0.052 . 1 . . . A 122 VAL CB . 25098 1 948 . 1 1 97 97 VAL CG1 C 13 21.667 0.047 . 1 . . . A 122 VAL CG1 . 25098 1 949 . 1 1 97 97 VAL CG2 C 13 21.593 0.017 . 1 . . . A 122 VAL CG2 . 25098 1 950 . 1 1 97 97 VAL N N 15 127.738 0.012 . 1 . . . A 122 VAL N . 25098 1 951 . 1 1 98 98 GLU H H 1 8.863 0.004 . 1 . . . A 123 GLU H . 25098 1 952 . 1 1 98 98 GLU N N 15 132.305 0.022 . 1 . . . A 123 GLU N . 25098 1 stop_ save_