data_19252 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19252 _Entry.Title ; RRM domain of HUMAN RBM7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-21 _Entry.Accession_date 2013-05-21 _Entry.Last_release_date 2015-01-26 _Entry.Original_release_date 2015-01-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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 Tomas Sikorsky . . . 19252 2 Dominika Hrossova . . . 19252 3 Stepanka Vanacova . . . 19252 4 Richard Stefl . . . 19252 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' . 19252 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NEXT . 19252 RBM7 . 19252 RNA . 19252 RRM . 19252 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19252 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 19252 '15N chemical shifts' 80 19252 '1H chemical shifts' 602 19252 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 . . 2015-01-26 2013-05-20 original author . 19252 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M8H 'BMRB Entry Tracking System' 19252 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19252 _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 'RNA binding properties of the human NEXT complex' _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 Tomas Sikorsky . . . 19252 1 2 Richard Stefl . . . 19252 1 3 Dominika Hrossova . . . 19252 1 4 Stepanka Vanacova . . . 19252 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19252 _Assembly.ID 1 _Assembly.Name 'RRM domain of HUMAN RBM7' _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 'RRM domain of HUMAN RBM7' 1 $RBM7 A . yes native no no . . . 19252 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBM7 _Entity.Sf_category entity _Entity.Sf_framecode RBM7 _Entity.Entry_ID 19252 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RBM7 _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 ; GSEFELRRQQALAEADRTLF VGNLETKVTEELLFELFHQA GPVIKVKIPKDKDGKPKQFA FVNFKHEVSVPYAMNLLNGI KLYGRPIKIQFRSGSSHAPQ D ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11473.301 _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 2M8H . "Rrm Domain Of Human Rbm7" . . . . . 100.00 101 100.00 100.00 3.11e-66 . . . . 19252 1 2 no DBJ BAA92036 . "unnamed protein product [Homo sapiens]" . . . . . 90.10 267 98.90 98.90 2.33e-57 . . . . 19252 1 3 no DBJ BAD92990 . "Hypothetical protein FLJ11153 variant [Homo sapiens]" . . . . . 90.10 155 98.90 98.90 7.04e-58 . . . . 19252 1 4 no DBJ BAG35505 . "unnamed protein product [Homo sapiens]" . . . . . 90.10 266 98.90 98.90 2.72e-57 . . . . 19252 1 5 no DBJ BAG73694 . "RNA binding motif protein 7 [synthetic construct]" . . . . . 90.10 266 98.90 98.90 2.72e-57 . . . . 19252 1 6 no EMBL CAH93091 . "hypothetical protein [Pongo abelii]" . . . . . 90.10 264 97.80 97.80 3.25e-56 . . . . 19252 1 7 no GB AAD39257 . "RNA binding motif protein 7 [Homo sapiens]" . . . . . 90.10 266 98.90 98.90 2.72e-57 . . . . 19252 1 8 no GB AAH34381 . "RNA binding motif protein 7 [Homo sapiens]" . . . . . 90.10 266 98.90 98.90 2.72e-57 . . . . 19252 1 9 no GB AAH70262 . "RNA binding motif protein 7 [Homo sapiens]" . . . . . 90.10 266 97.80 98.90 5.49e-57 . . . . 19252 1 10 no GB ADQ31580 . "RNA binding motif protein 7 [synthetic construct]" . . . . . 90.10 266 98.90 98.90 2.72e-57 . . . . 19252 1 11 no GB AIC50533 . "RBM7, partial [synthetic construct]" . . . . . 90.10 266 98.90 98.90 2.72e-57 . . . . 19252 1 12 no REF NP_001248000 . "RNA-binding protein 7 [Macaca mulatta]" . . . . . 90.10 267 97.80 97.80 4.07e-56 . . . . 19252 1 13 no REF NP_001272974 . "RNA-binding protein 7 isoform a [Homo sapiens]" . . . . . 90.10 267 98.90 98.90 2.23e-57 . . . . 19252 1 14 no REF NP_057174 . "RNA-binding protein 7 isoform b [Homo sapiens]" . . . . . 90.10 266 98.90 98.90 2.72e-57 . . . . 19252 1 15 no REF XP_002754472 . "PREDICTED: RNA-binding protein 7 isoform X1 [Callithrix jacchus]" . . . . . 90.10 264 97.80 97.80 3.02e-56 . . . . 19252 1 16 no REF XP_002822554 . "PREDICTED: RNA-binding protein 7 isoform X1 [Pongo abelii]" . . . . . 90.10 267 97.80 97.80 3.77e-56 . . . . 19252 1 17 no SP Q9Y580 . "RecName: Full=RNA-binding protein 7; AltName: Full=RNA-binding motif protein 7" . . . . . 90.10 266 98.90 98.90 2.72e-57 . . . . 19252 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 . GLY . 19252 1 2 . SER . 19252 1 3 . GLU . 19252 1 4 . PHE . 19252 1 5 . GLU . 19252 1 6 . LEU . 19252 1 7 . ARG . 19252 1 8 . ARG . 19252 1 9 . GLN . 19252 1 10 . GLN . 19252 1 11 . ALA . 19252 1 12 . LEU . 19252 1 13 . ALA . 19252 1 14 . GLU . 19252 1 15 . ALA . 19252 1 16 . ASP . 19252 1 17 . ARG . 19252 1 18 . THR . 19252 1 19 . LEU . 19252 1 20 . PHE . 19252 1 21 . VAL . 19252 1 22 . GLY . 19252 1 23 . ASN . 19252 1 24 . LEU . 19252 1 25 . GLU . 19252 1 26 . THR . 19252 1 27 . LYS . 19252 1 28 . VAL . 19252 1 29 . THR . 19252 1 30 . GLU . 19252 1 31 . GLU . 19252 1 32 . LEU . 19252 1 33 . LEU . 19252 1 34 . PHE . 19252 1 35 . GLU . 19252 1 36 . LEU . 19252 1 37 . PHE . 19252 1 38 . HIS . 19252 1 39 . GLN . 19252 1 40 . ALA . 19252 1 41 . GLY . 19252 1 42 . PRO . 19252 1 43 . VAL . 19252 1 44 . ILE . 19252 1 45 . LYS . 19252 1 46 . VAL . 19252 1 47 . LYS . 19252 1 48 . ILE . 19252 1 49 . PRO . 19252 1 50 . LYS . 19252 1 51 . ASP . 19252 1 52 . LYS . 19252 1 53 . ASP . 19252 1 54 . GLY . 19252 1 55 . LYS . 19252 1 56 . PRO . 19252 1 57 . LYS . 19252 1 58 . GLN . 19252 1 59 . PHE . 19252 1 60 . ALA . 19252 1 61 . PHE . 19252 1 62 . VAL . 19252 1 63 . ASN . 19252 1 64 . PHE . 19252 1 65 . LYS . 19252 1 66 . HIS . 19252 1 67 . GLU . 19252 1 68 . VAL . 19252 1 69 . SER . 19252 1 70 . VAL . 19252 1 71 . PRO . 19252 1 72 . TYR . 19252 1 73 . ALA . 19252 1 74 . MET . 19252 1 75 . ASN . 19252 1 76 . LEU . 19252 1 77 . LEU . 19252 1 78 . ASN . 19252 1 79 . GLY . 19252 1 80 . ILE . 19252 1 81 . LYS . 19252 1 82 . LEU . 19252 1 83 . TYR . 19252 1 84 . GLY . 19252 1 85 . ARG . 19252 1 86 . PRO . 19252 1 87 . ILE . 19252 1 88 . LYS . 19252 1 89 . ILE . 19252 1 90 . GLN . 19252 1 91 . PHE . 19252 1 92 . ARG . 19252 1 93 . SER . 19252 1 94 . GLY . 19252 1 95 . SER . 19252 1 96 . SER . 19252 1 97 . HIS . 19252 1 98 . ALA . 19252 1 99 . PRO . 19252 1 100 . GLN . 19252 1 101 . ASP . 19252 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 19252 1 . SER 2 2 19252 1 . GLU 3 3 19252 1 . PHE 4 4 19252 1 . GLU 5 5 19252 1 . LEU 6 6 19252 1 . ARG 7 7 19252 1 . ARG 8 8 19252 1 . GLN 9 9 19252 1 . GLN 10 10 19252 1 . ALA 11 11 19252 1 . LEU 12 12 19252 1 . ALA 13 13 19252 1 . GLU 14 14 19252 1 . ALA 15 15 19252 1 . ASP 16 16 19252 1 . ARG 17 17 19252 1 . THR 18 18 19252 1 . LEU 19 19 19252 1 . PHE 20 20 19252 1 . VAL 21 21 19252 1 . GLY 22 22 19252 1 . ASN 23 23 19252 1 . LEU 24 24 19252 1 . GLU 25 25 19252 1 . THR 26 26 19252 1 . LYS 27 27 19252 1 . VAL 28 28 19252 1 . THR 29 29 19252 1 . GLU 30 30 19252 1 . GLU 31 31 19252 1 . LEU 32 32 19252 1 . LEU 33 33 19252 1 . PHE 34 34 19252 1 . GLU 35 35 19252 1 . LEU 36 36 19252 1 . PHE 37 37 19252 1 . HIS 38 38 19252 1 . GLN 39 39 19252 1 . ALA 40 40 19252 1 . GLY 41 41 19252 1 . PRO 42 42 19252 1 . VAL 43 43 19252 1 . ILE 44 44 19252 1 . LYS 45 45 19252 1 . VAL 46 46 19252 1 . LYS 47 47 19252 1 . ILE 48 48 19252 1 . PRO 49 49 19252 1 . LYS 50 50 19252 1 . ASP 51 51 19252 1 . LYS 52 52 19252 1 . ASP 53 53 19252 1 . GLY 54 54 19252 1 . LYS 55 55 19252 1 . PRO 56 56 19252 1 . LYS 57 57 19252 1 . GLN 58 58 19252 1 . PHE 59 59 19252 1 . ALA 60 60 19252 1 . PHE 61 61 19252 1 . VAL 62 62 19252 1 . ASN 63 63 19252 1 . PHE 64 64 19252 1 . LYS 65 65 19252 1 . HIS 66 66 19252 1 . GLU 67 67 19252 1 . VAL 68 68 19252 1 . SER 69 69 19252 1 . VAL 70 70 19252 1 . PRO 71 71 19252 1 . TYR 72 72 19252 1 . ALA 73 73 19252 1 . MET 74 74 19252 1 . ASN 75 75 19252 1 . LEU 76 76 19252 1 . LEU 77 77 19252 1 . ASN 78 78 19252 1 . GLY 79 79 19252 1 . ILE 80 80 19252 1 . LYS 81 81 19252 1 . LEU 82 82 19252 1 . TYR 83 83 19252 1 . GLY 84 84 19252 1 . ARG 85 85 19252 1 . PRO 86 86 19252 1 . ILE 87 87 19252 1 . LYS 88 88 19252 1 . ILE 89 89 19252 1 . GLN 90 90 19252 1 . PHE 91 91 19252 1 . ARG 92 92 19252 1 . SER 93 93 19252 1 . GLY 94 94 19252 1 . SER 95 95 19252 1 . SER 96 96 19252 1 . HIS 97 97 19252 1 . ALA 98 98 19252 1 . PRO 99 99 19252 1 . GLN 100 100 19252 1 . ASP 101 101 19252 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 19252 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RBM7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . RBM7 . . . . 19252 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 19252 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RBM7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28-SMT3 . . . . . . 19252 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19252 _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 RBM7 '[U-99% 13C; U-99% 15N]' . . 1 $RBM7 . . 0.3 . . mM . . . . 19252 1 2 BISTRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19252 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 4 . . mM . . . . 19252 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 19252 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 19252 _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' 200 . mM 19252 1 pH 7 . pH 19252 1 pressure 1 . atm 19252 1 temperature 293.15 . K 19252 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19252 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19252 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19252 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_AVANCE_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_AVANCE_700 _NMR_spectrometer.Entry_ID 19252 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_Bruker_AVANCE_950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_AVANCE_950 _NMR_spectrometer.Entry_ID 19252 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 19252 _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 Bruker_AVANCE_700 Bruker Avance . 700 . . . 19252 1 2 Bruker_AVANCE_950 Bruker Avance . 950 . . . 19252 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 19252 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $Bruker_AVANCE_700 . . . . . . . . . . . . . . . . 19252 1 2 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $Bruker_AVANCE_700 . . . . . . . . . . . . . . . . 19252 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $Bruker_AVANCE_700 . . . . . . . . . . . . . . . . 19252 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $Bruker_AVANCE_700 . . . . . . . . . . . . . . . . 19252 1 5 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $Bruker_AVANCE_950 . . . . . . . . . . . . . . . . 19252 1 6 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . $Bruker_AVANCE_950 . . . . . . . . . . . . . . . . 19252 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19252 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CARA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19252 _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 TMS 'methyl carbons' . . . . ppm 0 external direct 1 . . . . . . . . . 19252 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 19252 1 N 15 '[15N] nitromethane' nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 19252 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 19252 _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 2 '3D HBHA(CO)NH' . . . 19252 1 3 '3D HNCA' . . . 19252 1 4 '3D CBCA(CO)NH' . . . 19252 1 5 '3D 1H-13C NOESY aliphatic' . . . 19252 1 6 '3D 1H-13C NOESY aromatic' . . . 19252 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 GLU HA H 1 4.204 0.02 . 1 . . . . 3 GLU HA . 19252 1 2 . 1 1 3 3 GLU HB2 H 1 1.978 0.02 . 2 . . . . 3 GLU HB2 . 19252 1 3 . 1 1 3 3 GLU HB3 H 1 1.931 0.02 . 2 . . . . 3 GLU HB3 . 19252 1 4 . 1 1 3 3 GLU HG2 H 1 2.196 0.02 . 2 . . . . 3 GLU HG2 . 19252 1 5 . 1 1 3 3 GLU HG3 H 1 2.145 0.02 . 2 . . . . 3 GLU HG3 . 19252 1 6 . 1 1 3 3 GLU CA C 13 57.868 0.2 . 1 . . . . 3 GLU CA . 19252 1 7 . 1 1 3 3 GLU CB C 13 29.724 0.2 . 1 . . . . 3 GLU CB . 19252 1 8 . 1 1 3 3 GLU CG C 13 36.071 0.2 . 1 . . . . 3 GLU CG . 19252 1 9 . 1 1 4 4 PHE H H 1 8.308 0.02 . 1 . . . . 4 PHE H . 19252 1 10 . 1 1 4 4 PHE HA H 1 4.424 0.02 . 1 . . . . 4 PHE HA . 19252 1 11 . 1 1 4 4 PHE HB2 H 1 3.081 0.02 . 2 . . . . 4 PHE QB . 19252 1 12 . 1 1 4 4 PHE HB3 H 1 3.081 0.02 . 2 . . . . 4 PHE QB . 19252 1 13 . 1 1 4 4 PHE HD1 H 1 7.238 0.02 . 3 . . . . 4 PHE QD . 19252 1 14 . 1 1 4 4 PHE HD2 H 1 7.238 0.02 . 3 . . . . 4 PHE QD . 19252 1 15 . 1 1 4 4 PHE HE1 H 1 7.351 0.02 . 3 . . . . 4 PHE QE . 19252 1 16 . 1 1 4 4 PHE HE2 H 1 7.351 0.02 . 3 . . . . 4 PHE QE . 19252 1 17 . 1 1 4 4 PHE CA C 13 59.181 0.2 . 1 . . . . 4 PHE CA . 19252 1 18 . 1 1 4 4 PHE CB C 13 39.244 0.2 . 1 . . . . 4 PHE CB . 19252 1 19 . 1 1 4 4 PHE CD1 C 13 131.54 0.2 . 3 . . . . 4 PHE CD1 . 19252 1 20 . 1 1 4 4 PHE CD2 C 13 131.54 0.2 . 3 . . . . 4 PHE CD2 . 19252 1 21 . 1 1 4 4 PHE CE1 C 13 131.621 0.2 . 3 . . . . 4 PHE CE1 . 19252 1 22 . 1 1 4 4 PHE CE2 C 13 131.621 0.2 . 3 . . . . 4 PHE CE2 . 19252 1 23 . 1 1 4 4 PHE N N 15 119.74 0.2 . 1 . . . . 4 PHE N . 19252 1 24 . 1 1 5 5 GLU H H 1 8.106 0.02 . 1 . . . . 5 GLU H . 19252 1 25 . 1 1 5 5 GLU HA H 1 4.143 0.02 . 1 . . . . 5 GLU HA . 19252 1 26 . 1 1 5 5 GLU HB2 H 1 2.048 0.02 . 2 . . . . 5 GLU QB . 19252 1 27 . 1 1 5 5 GLU HB3 H 1 2.048 0.02 . 2 . . . . 5 GLU QB . 19252 1 28 . 1 1 5 5 GLU HG2 H 1 2.284 0.02 . 2 . . . . 5 GLU HG2 . 19252 1 29 . 1 1 5 5 GLU HG3 H 1 2.207 0.02 . 2 . . . . 5 GLU HG3 . 19252 1 30 . 1 1 5 5 GLU CA C 13 57.557 0.2 . 1 . . . . 5 GLU CA . 19252 1 31 . 1 1 5 5 GLU CB C 13 29.709 0.2 . 1 . . . . 5 GLU CB . 19252 1 32 . 1 1 5 5 GLU CG C 13 36.267 0.2 . 1 . . . . 5 GLU CG . 19252 1 33 . 1 1 5 5 GLU N N 15 121.1 0.2 . 1 . . . . 5 GLU N . 19252 1 34 . 1 1 6 6 LEU H H 1 8.143 0.02 . 1 . . . . 6 LEU H . 19252 1 35 . 1 1 6 6 LEU HA H 1 4.188 0.02 . 1 . . . . 6 LEU HA . 19252 1 36 . 1 1 6 6 LEU HB2 H 1 1.573 0.02 . 2 . . . . 6 LEU HB2 . 19252 1 37 . 1 1 6 6 LEU HB3 H 1 1.739 0.02 . 2 . . . . 6 LEU HB3 . 19252 1 38 . 1 1 6 6 LEU HG H 1 1.692 0.02 . 1 . . . . 6 LEU HG . 19252 1 39 . 1 1 6 6 LEU HD11 H 1 0.92 0.02 . 1 . . . . 6 LEU QD1 . 19252 1 40 . 1 1 6 6 LEU HD12 H 1 0.92 0.02 . 1 . . . . 6 LEU QD1 . 19252 1 41 . 1 1 6 6 LEU HD13 H 1 0.92 0.02 . 1 . . . . 6 LEU QD1 . 19252 1 42 . 1 1 6 6 LEU HD21 H 1 0.877 0.02 . 1 . . . . 6 LEU QD2 . 19252 1 43 . 1 1 6 6 LEU HD22 H 1 0.877 0.02 . 1 . . . . 6 LEU QD2 . 19252 1 44 . 1 1 6 6 LEU HD23 H 1 0.877 0.02 . 1 . . . . 6 LEU QD2 . 19252 1 45 . 1 1 6 6 LEU CA C 13 56.559 0.2 . 1 . . . . 6 LEU CA . 19252 1 46 . 1 1 6 6 LEU CB C 13 41.866 0.2 . 1 . . . . 6 LEU CB . 19252 1 47 . 1 1 6 6 LEU CG C 13 26.991 0.2 . 1 . . . . 6 LEU CG . 19252 1 48 . 1 1 6 6 LEU CD1 C 13 24.962 0.2 . 2 . . . . 6 LEU CD1 . 19252 1 49 . 1 1 6 6 LEU CD2 C 13 23.455 0.2 . 2 . . . . 6 LEU CD2 . 19252 1 50 . 1 1 6 6 LEU N N 15 122.001 0.2 . 1 . . . . 6 LEU N . 19252 1 51 . 1 1 7 7 ARG H H 1 8.205 0.02 . 1 . . . . 7 ARG H . 19252 1 52 . 1 1 7 7 ARG HA H 1 4.195 0.02 . 1 . . . . 7 ARG HA . 19252 1 53 . 1 1 7 7 ARG HB2 H 1 1.843 0.02 . 2 . . . . 7 ARG QB . 19252 1 54 . 1 1 7 7 ARG HB3 H 1 1.843 0.02 . 2 . . . . 7 ARG QB . 19252 1 55 . 1 1 7 7 ARG HG2 H 1 1.692 0.02 . 2 . . . . 7 ARG HG2 . 19252 1 56 . 1 1 7 7 ARG HG3 H 1 1.61 0.02 . 2 . . . . 7 ARG HG3 . 19252 1 57 . 1 1 7 7 ARG HD2 H 1 3.176 0.02 . 2 . . . . 7 ARG QD . 19252 1 58 . 1 1 7 7 ARG HD3 H 1 3.176 0.02 . 2 . . . . 7 ARG QD . 19252 1 59 . 1 1 7 7 ARG CA C 13 57.442 0.2 . 1 . . . . 7 ARG CA . 19252 1 60 . 1 1 7 7 ARG CB C 13 30.154 0.2 . 1 . . . . 7 ARG CB . 19252 1 61 . 1 1 7 7 ARG CG C 13 27.285 0.2 . 1 . . . . 7 ARG CG . 19252 1 62 . 1 1 7 7 ARG CD C 13 43.251 0.2 . 1 . . . . 7 ARG CD . 19252 1 63 . 1 1 7 7 ARG N N 15 120.759 0.2 . 1 . . . . 7 ARG N . 19252 1 64 . 1 1 9 9 GLN HA H 1 4.099 0.02 . 1 . . . . 9 GLN HA . 19252 1 65 . 1 1 9 9 GLN HB2 H 1 1.843 0.02 . 2 . . . . 9 GLN HB2 . 19252 1 66 . 1 1 9 9 GLN HB3 H 1 1.756 0.02 . 2 . . . . 9 GLN HB3 . 19252 1 67 . 1 1 9 9 GLN HG2 H 1 1.633 0.02 . 2 . . . . 9 GLN HG2 . 19252 1 68 . 1 1 9 9 GLN HG3 H 1 1.559 0.02 . 2 . . . . 9 GLN HG3 . 19252 1 69 . 1 1 9 9 GLN CA C 13 57.781 0.2 . 1 . . . . 9 GLN CA . 19252 1 70 . 1 1 9 9 GLN CB C 13 30.151 0.2 . 1 . . . . 9 GLN CB . 19252 1 71 . 1 1 9 9 GLN CG C 13 27.052 0.2 . 1 . . . . 9 GLN CG . 19252 1 72 . 1 1 10 10 GLN H H 1 8.3 0.02 . 1 . . . . 10 GLN H . 19252 1 73 . 1 1 10 10 GLN HA H 1 4.163 0.02 . 1 . . . . 10 GLN HA . 19252 1 74 . 1 1 10 10 GLN HB2 H 1 2.102 0.02 . 2 . . . . 10 GLN HB2 . 19252 1 75 . 1 1 10 10 GLN HB3 H 1 2.063 0.02 . 2 . . . . 10 GLN HB3 . 19252 1 76 . 1 1 10 10 GLN HG2 H 1 2.417 0.02 . 2 . . . . 10 GLN HG2 . 19252 1 77 . 1 1 10 10 GLN HG3 H 1 2.375 0.02 . 2 . . . . 10 GLN HG3 . 19252 1 78 . 1 1 10 10 GLN CA C 13 57.276 0.2 . 1 . . . . 10 GLN CA . 19252 1 79 . 1 1 10 10 GLN CB C 13 28.838 0.2 . 1 . . . . 10 GLN CB . 19252 1 80 . 1 1 10 10 GLN CG C 13 33.73 0.2 . 1 . . . . 10 GLN CG . 19252 1 81 . 1 1 10 10 GLN N N 15 120.456 0.2 . 1 . . . . 10 GLN N . 19252 1 82 . 1 1 11 11 ALA H H 1 8.164 0.02 . 1 . . . . 11 ALA H . 19252 1 83 . 1 1 11 11 ALA HA H 1 4.223 0.02 . 1 . . . . 11 ALA HA . 19252 1 84 . 1 1 11 11 ALA HB1 H 1 1.424 0.02 . 1 . . . . 11 ALA QB . 19252 1 85 . 1 1 11 11 ALA HB2 H 1 1.424 0.02 . 1 . . . . 11 ALA QB . 19252 1 86 . 1 1 11 11 ALA HB3 H 1 1.424 0.02 . 1 . . . . 11 ALA QB . 19252 1 87 . 1 1 11 11 ALA CA C 13 53.647 0.2 . 1 . . . . 11 ALA CA . 19252 1 88 . 1 1 11 11 ALA CB C 13 18.506 0.2 . 1 . . . . 11 ALA CB . 19252 1 89 . 1 1 11 11 ALA N N 15 123.706 0.2 . 1 . . . . 11 ALA N . 19252 1 90 . 1 1 12 12 LEU H H 1 8.106 0.02 . 1 . . . . 12 LEU H . 19252 1 91 . 1 1 12 12 LEU HA H 1 4.194 0.02 . 1 . . . . 12 LEU HA . 19252 1 92 . 1 1 12 12 LEU HB2 H 1 1.679 0.02 . 2 . . . . 12 LEU HB2 . 19252 1 93 . 1 1 12 12 LEU HB3 H 1 1.619 0.02 . 2 . . . . 12 LEU HB3 . 19252 1 94 . 1 1 12 12 LEU HG H 1 1.668 0.02 . 1 . . . . 12 LEU HG . 19252 1 95 . 1 1 12 12 LEU HD11 H 1 0.9 0.02 . 1 . . . . 12 LEU QD1 . 19252 1 96 . 1 1 12 12 LEU HD12 H 1 0.9 0.02 . 1 . . . . 12 LEU QD1 . 19252 1 97 . 1 1 12 12 LEU HD13 H 1 0.9 0.02 . 1 . . . . 12 LEU QD1 . 19252 1 98 . 1 1 12 12 LEU HD21 H 1 0.855 0.02 . 1 . . . . 12 LEU QD2 . 19252 1 99 . 1 1 12 12 LEU HD22 H 1 0.855 0.02 . 1 . . . . 12 LEU QD2 . 19252 1 100 . 1 1 12 12 LEU HD23 H 1 0.855 0.02 . 1 . . . . 12 LEU QD2 . 19252 1 101 . 1 1 12 12 LEU CA C 13 56.397 0.2 . 1 . . . . 12 LEU CA . 19252 1 102 . 1 1 12 12 LEU CB C 13 41.917 0.2 . 1 . . . . 12 LEU CB . 19252 1 103 . 1 1 12 12 LEU CG C 13 26.918 0.2 . 1 . . . . 12 LEU CG . 19252 1 104 . 1 1 12 12 LEU CD1 C 13 24.883 0.2 . 2 . . . . 12 LEU CD1 . 19252 1 105 . 1 1 12 12 LEU CD2 C 13 23.661 0.2 . 2 . . . . 12 LEU CD2 . 19252 1 106 . 1 1 12 12 LEU N N 15 120.921 0.2 . 1 . . . . 12 LEU N . 19252 1 107 . 1 1 13 13 ALA H H 1 8.082 0.02 . 1 . . . . 13 ALA H . 19252 1 108 . 1 1 13 13 ALA HA H 1 4.241 0.02 . 1 . . . . 13 ALA HA . 19252 1 109 . 1 1 13 13 ALA HB1 H 1 1.464 0.02 . 1 . . . . 13 ALA QB . 19252 1 110 . 1 1 13 13 ALA HB2 H 1 1.464 0.02 . 1 . . . . 13 ALA QB . 19252 1 111 . 1 1 13 13 ALA HB3 H 1 1.464 0.02 . 1 . . . . 13 ALA QB . 19252 1 112 . 1 1 13 13 ALA CA C 13 53.807 0.2 . 1 . . . . 13 ALA CA . 19252 1 113 . 1 1 13 13 ALA CB C 13 18.459 0.2 . 1 . . . . 13 ALA CB . 19252 1 114 . 1 1 13 13 ALA N N 15 122.753 0.2 . 1 . . . . 13 ALA N . 19252 1 115 . 1 1 14 14 GLU H H 1 8.061 0.02 . 1 . . . . 14 GLU H . 19252 1 116 . 1 1 14 14 GLU HA H 1 4.145 0.02 . 1 . . . . 14 GLU HA . 19252 1 117 . 1 1 14 14 GLU HB2 H 1 2.284 0.02 . 2 . . . . 14 GLU HB2 . 19252 1 118 . 1 1 14 14 GLU HB3 H 1 2.03 0.02 . 2 . . . . 14 GLU HB3 . 19252 1 119 . 1 1 14 14 GLU CA C 13 57.792 0.2 . 1 . . . . 14 GLU CA . 19252 1 120 . 1 1 14 14 GLU CB C 13 33.094 0.2 . 1 . . . . 14 GLU CB . 19252 1 121 . 1 1 14 14 GLU N N 15 117.322 0.2 . 1 . . . . 14 GLU N . 19252 1 122 . 1 1 15 15 ALA H H 1 8.187 0.02 . 1 . . . . 15 ALA H . 19252 1 123 . 1 1 15 15 ALA HA H 1 4.124 0.02 . 1 . . . . 15 ALA HA . 19252 1 124 . 1 1 15 15 ALA HB1 H 1 1.447 0.02 . 1 . . . . 15 ALA QB . 19252 1 125 . 1 1 15 15 ALA HB2 H 1 1.447 0.02 . 1 . . . . 15 ALA QB . 19252 1 126 . 1 1 15 15 ALA HB3 H 1 1.447 0.02 . 1 . . . . 15 ALA QB . 19252 1 127 . 1 1 15 15 ALA CA C 13 54.878 0.2 . 1 . . . . 15 ALA CA . 19252 1 128 . 1 1 15 15 ALA CB C 13 18.338 0.2 . 1 . . . . 15 ALA CB . 19252 1 129 . 1 1 15 15 ALA N N 15 124.763 0.2 . 1 . . . . 15 ALA N . 19252 1 130 . 1 1 16 16 ASP H H 1 8.265 0.02 . 1 . . . . 16 ASP H . 19252 1 131 . 1 1 16 16 ASP HA H 1 4.792 0.02 . 1 . . . . 16 ASP HA . 19252 1 132 . 1 1 16 16 ASP HB2 H 1 2.832 0.02 . 2 . . . . 16 ASP HB2 . 19252 1 133 . 1 1 16 16 ASP HB3 H 1 2.785 0.02 . 2 . . . . 16 ASP HB3 . 19252 1 134 . 1 1 16 16 ASP CA C 13 55.59 0.2 . 1 . . . . 16 ASP CA . 19252 1 135 . 1 1 16 16 ASP CB C 13 40.57 0.2 . 1 . . . . 16 ASP CB . 19252 1 136 . 1 1 16 16 ASP N N 15 116.873 0.2 . 1 . . . . 16 ASP N . 19252 1 137 . 1 1 17 17 ARG HA H 1 4.622 0.02 . 1 . . . . 17 ARG HA . 19252 1 138 . 1 1 17 17 ARG HB2 H 1 1.765 0.02 . 2 . . . . 17 ARG QB . 19252 1 139 . 1 1 17 17 ARG HB3 H 1 1.765 0.02 . 2 . . . . 17 ARG QB . 19252 1 140 . 1 1 17 17 ARG HD2 H 1 3.18 0.02 . 2 . . . . 17 ARG QD . 19252 1 141 . 1 1 17 17 ARG HD3 H 1 3.18 0.02 . 2 . . . . 17 ARG QD . 19252 1 142 . 1 1 17 17 ARG CA C 13 56.102 0.2 . 1 . . . . 17 ARG CA . 19252 1 143 . 1 1 17 17 ARG CB C 13 31.11 0.2 . 1 . . . . 17 ARG CB . 19252 1 144 . 1 1 17 17 ARG CD C 13 43.56 0.2 . 1 . . . . 17 ARG CD . 19252 1 145 . 1 1 18 18 THR H H 1 7.746 0.02 . 1 . . . . 18 THR H . 19252 1 146 . 1 1 18 18 THR HA H 1 5.705 0.02 . 1 . . . . 18 THR HA . 19252 1 147 . 1 1 18 18 THR HB H 1 4.072 0.02 . 1 . . . . 18 THR HB . 19252 1 148 . 1 1 18 18 THR HG21 H 1 1.22 0.02 . 1 . . . . 18 THR QG2 . 19252 1 149 . 1 1 18 18 THR HG22 H 1 1.22 0.02 . 1 . . . . 18 THR QG2 . 19252 1 150 . 1 1 18 18 THR HG23 H 1 1.22 0.02 . 1 . . . . 18 THR QG2 . 19252 1 151 . 1 1 18 18 THR CA C 13 61.803 0.2 . 1 . . . . 18 THR CA . 19252 1 152 . 1 1 18 18 THR CB C 13 71.287 0.2 . 1 . . . . 18 THR CB . 19252 1 153 . 1 1 18 18 THR CG2 C 13 21.771 0.2 . 1 . . . . 18 THR CG2 . 19252 1 154 . 1 1 18 18 THR N N 15 116.427 0.2 . 1 . . . . 18 THR N . 19252 1 155 . 1 1 19 19 LEU H H 1 9.115 0.02 . 1 . . . . 19 LEU H . 19252 1 156 . 1 1 19 19 LEU HA H 1 5.032 0.02 . 1 . . . . 19 LEU HA . 19252 1 157 . 1 1 19 19 LEU HB2 H 1 1.561 0.02 . 2 . . . . 19 LEU QB . 19252 1 158 . 1 1 19 19 LEU HB3 H 1 1.561 0.02 . 2 . . . . 19 LEU QB . 19252 1 159 . 1 1 19 19 LEU HG H 1 1.865 0.02 . 1 . . . . 19 LEU HG . 19252 1 160 . 1 1 19 19 LEU HD11 H 1 1.065 0.02 . 1 . . . . 19 LEU QD1 . 19252 1 161 . 1 1 19 19 LEU HD12 H 1 1.065 0.02 . 1 . . . . 19 LEU QD1 . 19252 1 162 . 1 1 19 19 LEU HD13 H 1 1.065 0.02 . 1 . . . . 19 LEU QD1 . 19252 1 163 . 1 1 19 19 LEU HD21 H 1 1.027 0.02 . 1 . . . . 19 LEU QD2 . 19252 1 164 . 1 1 19 19 LEU HD22 H 1 1.027 0.02 . 1 . . . . 19 LEU QD2 . 19252 1 165 . 1 1 19 19 LEU HD23 H 1 1.027 0.02 . 1 . . . . 19 LEU QD2 . 19252 1 166 . 1 1 19 19 LEU CA C 13 53.216 0.2 . 1 . . . . 19 LEU CA . 19252 1 167 . 1 1 19 19 LEU CB C 13 45.957 0.2 . 1 . . . . 19 LEU CB . 19252 1 168 . 1 1 19 19 LEU CG C 13 26.533 0.2 . 1 . . . . 19 LEU CG . 19252 1 169 . 1 1 19 19 LEU CD1 C 13 26.629 0.2 . 2 . . . . 19 LEU CD1 . 19252 1 170 . 1 1 19 19 LEU CD2 C 13 25.453 0.2 . 2 . . . . 19 LEU CD2 . 19252 1 171 . 1 1 19 19 LEU N N 15 123.139 0.2 . 1 . . . . 19 LEU N . 19252 1 172 . 1 1 20 20 PHE H H 1 8.698 0.02 . 1 . . . . 20 PHE H . 19252 1 173 . 1 1 20 20 PHE HA H 1 5.003 0.02 . 1 . . . . 20 PHE HA . 19252 1 174 . 1 1 20 20 PHE HB2 H 1 3.006 0.02 . 2 . . . . 20 PHE HB2 . 19252 1 175 . 1 1 20 20 PHE HB3 H 1 2.855 0.02 . 2 . . . . 20 PHE HB3 . 19252 1 176 . 1 1 20 20 PHE HD1 H 1 6.847 0.02 . 3 . . . . 20 PHE QD . 19252 1 177 . 1 1 20 20 PHE HD2 H 1 6.847 0.02 . 3 . . . . 20 PHE QD . 19252 1 178 . 1 1 20 20 PHE HE1 H 1 6.683 0.02 . 3 . . . . 20 PHE QE . 19252 1 179 . 1 1 20 20 PHE HE2 H 1 6.683 0.02 . 3 . . . . 20 PHE QE . 19252 1 180 . 1 1 20 20 PHE CA C 13 56.576 0.2 . 1 . . . . 20 PHE CA . 19252 1 181 . 1 1 20 20 PHE CB C 13 41.207 0.2 . 1 . . . . 20 PHE CB . 19252 1 182 . 1 1 20 20 PHE CD1 C 13 131.409 0.2 . 3 . . . . 20 PHE CD1 . 19252 1 183 . 1 1 20 20 PHE CD2 C 13 131.409 0.2 . 3 . . . . 20 PHE CD2 . 19252 1 184 . 1 1 20 20 PHE CE1 C 13 130.97 0.2 . 3 . . . . 20 PHE CE1 . 19252 1 185 . 1 1 20 20 PHE CE2 C 13 130.97 0.2 . 3 . . . . 20 PHE CE2 . 19252 1 186 . 1 1 20 20 PHE N N 15 123.458 0.2 . 1 . . . . 20 PHE N . 19252 1 187 . 1 1 21 21 VAL H H 1 8.747 0.02 . 1 . . . . 21 VAL H . 19252 1 188 . 1 1 21 21 VAL HA H 1 4.477 0.02 . 1 . . . . 21 VAL HA . 19252 1 189 . 1 1 21 21 VAL HB H 1 1.771 0.02 . 1 . . . . 21 VAL HB . 19252 1 190 . 1 1 21 21 VAL HG11 H 1 0.945 0.02 . 1 . . . . 21 VAL QG1 . 19252 1 191 . 1 1 21 21 VAL HG12 H 1 0.945 0.02 . 1 . . . . 21 VAL QG1 . 19252 1 192 . 1 1 21 21 VAL HG13 H 1 0.945 0.02 . 1 . . . . 21 VAL QG1 . 19252 1 193 . 1 1 21 21 VAL HG21 H 1 0.653 0.02 . 1 . . . . 21 VAL QG2 . 19252 1 194 . 1 1 21 21 VAL HG22 H 1 0.653 0.02 . 1 . . . . 21 VAL QG2 . 19252 1 195 . 1 1 21 21 VAL HG23 H 1 0.653 0.02 . 1 . . . . 21 VAL QG2 . 19252 1 196 . 1 1 21 21 VAL CA C 13 60.751 0.2 . 1 . . . . 21 VAL CA . 19252 1 197 . 1 1 21 21 VAL CB C 13 33.228 0.2 . 1 . . . . 21 VAL CB . 19252 1 198 . 1 1 21 21 VAL CG1 C 13 22.784 0.2 . 2 . . . . 21 VAL CG1 . 19252 1 199 . 1 1 21 21 VAL CG2 C 13 21.971 0.2 . 2 . . . . 21 VAL CG2 . 19252 1 200 . 1 1 21 21 VAL N N 15 127.543 0.2 . 1 . . . . 21 VAL N . 19252 1 201 . 1 1 22 22 GLY H H 1 9.05 0.02 . 1 . . . . 22 GLY H . 19252 1 202 . 1 1 22 22 GLY HA2 H 1 4.74 0.02 . 2 . . . . 22 GLY HA2 . 19252 1 203 . 1 1 22 22 GLY HA3 H 1 3.788 0.02 . 2 . . . . 22 GLY HA3 . 19252 1 204 . 1 1 22 22 GLY CA C 13 43.109 0.2 . 1 . . . . 22 GLY CA . 19252 1 205 . 1 1 22 22 GLY N N 15 112.849 0.2 . 1 . . . . 22 GLY N . 19252 1 206 . 1 1 23 23 ASN H H 1 8.775 0.02 . 1 . . . . 23 ASN H . 19252 1 207 . 1 1 23 23 ASN HA H 1 4.443 0.02 . 1 . . . . 23 ASN HA . 19252 1 208 . 1 1 23 23 ASN HB2 H 1 3.93 0.02 . 2 . . . . 23 ASN HB2 . 19252 1 209 . 1 1 23 23 ASN HB3 H 1 2.39 0.02 . 2 . . . . 23 ASN HB3 . 19252 1 210 . 1 1 23 23 ASN HD21 H 1 8.52 0.02 . 2 . . . . 23 ASN HD21 . 19252 1 211 . 1 1 23 23 ASN HD22 H 1 7.406 0.02 . 2 . . . . 23 ASN HD22 . 19252 1 212 . 1 1 23 23 ASN CA C 13 53.356 0.2 . 1 . . . . 23 ASN CA . 19252 1 213 . 1 1 23 23 ASN CB C 13 38.951 0.2 . 1 . . . . 23 ASN CB . 19252 1 214 . 1 1 23 23 ASN N N 15 116.374 0.2 . 1 . . . . 23 ASN N . 19252 1 215 . 1 1 23 23 ASN ND2 N 15 113.232 0.2 . 1 . . . . 23 ASN ND2 . 19252 1 216 . 1 1 24 24 LEU H H 1 7.484 0.02 . 1 . . . . 24 LEU H . 19252 1 217 . 1 1 24 24 LEU HA H 1 4.165 0.02 . 1 . . . . 24 LEU HA . 19252 1 218 . 1 1 24 24 LEU HB2 H 1 1.335 0.02 . 2 . . . . 24 LEU HB2 . 19252 1 219 . 1 1 24 24 LEU HB3 H 1 1.154 0.02 . 2 . . . . 24 LEU HB3 . 19252 1 220 . 1 1 24 24 LEU HG H 1 1.473 0.02 . 1 . . . . 24 LEU HG . 19252 1 221 . 1 1 24 24 LEU HD11 H 1 0.709 0.02 . 1 . . . . 24 LEU QD1 . 19252 1 222 . 1 1 24 24 LEU HD12 H 1 0.709 0.02 . 1 . . . . 24 LEU QD1 . 19252 1 223 . 1 1 24 24 LEU HD13 H 1 0.709 0.02 . 1 . . . . 24 LEU QD1 . 19252 1 224 . 1 1 24 24 LEU HD21 H 1 0.571 0.02 . 1 . . . . 24 LEU QD2 . 19252 1 225 . 1 1 24 24 LEU HD22 H 1 0.571 0.02 . 1 . . . . 24 LEU QD2 . 19252 1 226 . 1 1 24 24 LEU HD23 H 1 0.571 0.02 . 1 . . . . 24 LEU QD2 . 19252 1 227 . 1 1 24 24 LEU CA C 13 53.988 0.2 . 1 . . . . 24 LEU CA . 19252 1 228 . 1 1 24 24 LEU CB C 13 42.47 0.2 . 1 . . . . 24 LEU CB . 19252 1 229 . 1 1 24 24 LEU CG C 13 26.618 0.2 . 1 . . . . 24 LEU CG . 19252 1 230 . 1 1 24 24 LEU CD1 C 13 23.04 0.2 . 2 . . . . 24 LEU CD1 . 19252 1 231 . 1 1 24 24 LEU CD2 C 13 26.226 0.2 . 2 . . . . 24 LEU CD2 . 19252 1 232 . 1 1 24 24 LEU N N 15 113.779 0.2 . 1 . . . . 24 LEU N . 19252 1 233 . 1 1 25 25 GLU H H 1 8.614 0.02 . 1 . . . . 25 GLU H . 19252 1 234 . 1 1 25 25 GLU HA H 1 4.237 0.02 . 1 . . . . 25 GLU HA . 19252 1 235 . 1 1 25 25 GLU HB2 H 1 2.226 0.02 . 2 . . . . 25 GLU HB2 . 19252 1 236 . 1 1 25 25 GLU HB3 H 1 1.954 0.02 . 2 . . . . 25 GLU HB3 . 19252 1 237 . 1 1 25 25 GLU HG2 H 1 2.795 0.02 . 2 . . . . 25 GLU HG2 . 19252 1 238 . 1 1 25 25 GLU HG3 H 1 2.439 0.02 . 2 . . . . 25 GLU HG3 . 19252 1 239 . 1 1 25 25 GLU CA C 13 56.922 0.2 . 1 . . . . 25 GLU CA . 19252 1 240 . 1 1 25 25 GLU CB C 13 30.184 0.2 . 1 . . . . 25 GLU CB . 19252 1 241 . 1 1 25 25 GLU CG C 13 37.837 0.2 . 1 . . . . 25 GLU CG . 19252 1 242 . 1 1 25 25 GLU N N 15 125.494 0.2 . 1 . . . . 25 GLU N . 19252 1 243 . 1 1 26 26 THR H H 1 8.446 0.02 . 1 . . . . 26 THR H . 19252 1 244 . 1 1 26 26 THR HA H 1 3.929 0.02 . 1 . . . . 26 THR HA . 19252 1 245 . 1 1 26 26 THR HB H 1 4.126 0.02 . 1 . . . . 26 THR HB . 19252 1 246 . 1 1 26 26 THR HG21 H 1 1.24 0.02 . 1 . . . . 26 THR QG2 . 19252 1 247 . 1 1 26 26 THR HG22 H 1 1.24 0.02 . 1 . . . . 26 THR QG2 . 19252 1 248 . 1 1 26 26 THR HG23 H 1 1.24 0.02 . 1 . . . . 26 THR QG2 . 19252 1 249 . 1 1 26 26 THR CA C 13 65.338 0.2 . 1 . . . . 26 THR CA . 19252 1 250 . 1 1 26 26 THR CB C 13 68.869 0.2 . 1 . . . . 26 THR CB . 19252 1 251 . 1 1 26 26 THR CG2 C 13 21.813 0.2 . 1 . . . . 26 THR CG2 . 19252 1 252 . 1 1 26 26 THR N N 15 117.323 0.2 . 1 . . . . 26 THR N . 19252 1 253 . 1 1 27 27 LYS H H 1 7.815 0.02 . 1 . . . . 27 LYS H . 19252 1 254 . 1 1 27 27 LYS HA H 1 3.969 0.02 . 1 . . . . 27 LYS HA . 19252 1 255 . 1 1 27 27 LYS HB2 H 1 1.191 0.02 . 2 . . . . 27 LYS HB2 . 19252 1 256 . 1 1 27 27 LYS HB3 H 1 0.758 0.02 . 2 . . . . 27 LYS HB3 . 19252 1 257 . 1 1 27 27 LYS HG2 H 1 1.257 0.02 . 2 . . . . 27 LYS HG2 . 19252 1 258 . 1 1 27 27 LYS HG3 H 1 1.175 0.02 . 2 . . . . 27 LYS HG3 . 19252 1 259 . 1 1 27 27 LYS HD2 H 1 1.418 0.02 . 2 . . . . 27 LYS HD2 . 19252 1 260 . 1 1 27 27 LYS HD3 H 1 1.281 0.02 . 2 . . . . 27 LYS HD3 . 19252 1 261 . 1 1 27 27 LYS HE2 H 1 2.739 0.02 . 2 . . . . 27 LYS HE2 . 19252 1 262 . 1 1 27 27 LYS HE3 H 1 2.577 0.02 . 2 . . . . 27 LYS HE3 . 19252 1 263 . 1 1 27 27 LYS CA C 13 57.154 0.2 . 1 . . . . 27 LYS CA . 19252 1 264 . 1 1 27 27 LYS CB C 13 31.64 0.2 . 1 . . . . 27 LYS CB . 19252 1 265 . 1 1 27 27 LYS CG C 13 25.163 0.2 . 1 . . . . 27 LYS CG . 19252 1 266 . 1 1 27 27 LYS CD C 13 28.69 0.2 . 1 . . . . 27 LYS CD . 19252 1 267 . 1 1 27 27 LYS CE C 13 40.805 0.2 . 1 . . . . 27 LYS CE . 19252 1 268 . 1 1 27 27 LYS N N 15 116.583 0.2 . 1 . . . . 27 LYS N . 19252 1 269 . 1 1 28 28 VAL H H 1 7.729 0.02 . 1 . . . . 28 VAL H . 19252 1 270 . 1 1 28 28 VAL HA H 1 3.688 0.02 . 1 . . . . 28 VAL HA . 19252 1 271 . 1 1 28 28 VAL HB H 1 2.272 0.02 . 1 . . . . 28 VAL HB . 19252 1 272 . 1 1 28 28 VAL HG11 H 1 1.245 0.02 . 2 . . . . 28 VAL HG1 . 19252 1 273 . 1 1 28 28 VAL HG12 H 1 1.245 0.02 . 2 . . . . 28 VAL HG1 . 19252 1 274 . 1 1 28 28 VAL HG13 H 1 1.245 0.02 . 2 . . . . 28 VAL HG1 . 19252 1 275 . 1 1 28 28 VAL HG21 H 1 1.04 0.02 . 2 . . . . 28 VAL HG2 . 19252 1 276 . 1 1 28 28 VAL HG22 H 1 1.04 0.02 . 2 . . . . 28 VAL HG2 . 19252 1 277 . 1 1 28 28 VAL HG23 H 1 1.04 0.02 . 2 . . . . 28 VAL HG2 . 19252 1 278 . 1 1 28 28 VAL CA C 13 65.494 0.2 . 1 . . . . 28 VAL CA . 19252 1 279 . 1 1 28 28 VAL CB C 13 31.235 0.2 . 1 . . . . 28 VAL CB . 19252 1 280 . 1 1 28 28 VAL CG1 C 13 24.641 0.2 . 2 . . . . 28 VAL CG1 . 19252 1 281 . 1 1 28 28 VAL CG2 C 13 22.98 0.2 . 2 . . . . 28 VAL CG2 . 19252 1 282 . 1 1 28 28 VAL N N 15 119.89 0.2 . 1 . . . . 28 VAL N . 19252 1 283 . 1 1 29 29 THR H H 1 6.839 0.02 . 1 . . . . 29 THR H . 19252 1 284 . 1 1 29 29 THR HA H 1 4.71 0.02 . 1 . . . . 29 THR HA . 19252 1 285 . 1 1 29 29 THR HB H 1 4.827 0.02 . 1 . . . . 29 THR HB . 19252 1 286 . 1 1 29 29 THR HG21 H 1 1.193 0.02 . 1 . . . . 29 THR QG2 . 19252 1 287 . 1 1 29 29 THR HG22 H 1 1.193 0.02 . 1 . . . . 29 THR QG2 . 19252 1 288 . 1 1 29 29 THR HG23 H 1 1.193 0.02 . 1 . . . . 29 THR QG2 . 19252 1 289 . 1 1 29 29 THR CA C 13 58.801 0.2 . 1 . . . . 29 THR CA . 19252 1 290 . 1 1 29 29 THR CB C 13 72.384 0.2 . 1 . . . . 29 THR CB . 19252 1 291 . 1 1 29 29 THR CG2 C 13 21.602 0.2 . 1 . . . . 29 THR CG2 . 19252 1 292 . 1 1 29 29 THR N N 15 115.174 0.2 . 1 . . . . 29 THR N . 19252 1 293 . 1 1 30 30 GLU H H 1 9.362 0.02 . 1 . . . . 30 GLU H . 19252 1 294 . 1 1 30 30 GLU HA H 1 3.649 0.02 . 1 . . . . 30 GLU HA . 19252 1 295 . 1 1 30 30 GLU HB2 H 1 2.049 0.02 . 2 . . . . 30 GLU HB2 . 19252 1 296 . 1 1 30 30 GLU HB3 H 1 1.917 0.02 . 2 . . . . 30 GLU HB3 . 19252 1 297 . 1 1 30 30 GLU HG2 H 1 2.447 0.02 . 2 . . . . 30 GLU HG2 . 19252 1 298 . 1 1 30 30 GLU HG3 H 1 2.153 0.02 . 2 . . . . 30 GLU HG3 . 19252 1 299 . 1 1 30 30 GLU CA C 13 60.107 0.2 . 1 . . . . 30 GLU CA . 19252 1 300 . 1 1 30 30 GLU CB C 13 29.268 0.2 . 1 . . . . 30 GLU CB . 19252 1 301 . 1 1 30 30 GLU CG C 13 37.616 0.2 . 1 . . . . 30 GLU CG . 19252 1 302 . 1 1 30 30 GLU N N 15 120.999 0.2 . 1 . . . . 30 GLU N . 19252 1 303 . 1 1 31 31 GLU H H 1 8.855 0.02 . 1 . . . . 31 GLU H . 19252 1 304 . 1 1 31 31 GLU HA H 1 4.057 0.02 . 1 . . . . 31 GLU HA . 19252 1 305 . 1 1 31 31 GLU HB2 H 1 2.118 0.02 . 2 . . . . 31 GLU HB2 . 19252 1 306 . 1 1 31 31 GLU HB3 H 1 1.897 0.02 . 2 . . . . 31 GLU HB3 . 19252 1 307 . 1 1 31 31 GLU HG2 H 1 2.463 0.02 . 2 . . . . 31 GLU HG2 . 19252 1 308 . 1 1 31 31 GLU HG3 H 1 2.271 0.02 . 2 . . . . 31 GLU HG3 . 19252 1 309 . 1 1 31 31 GLU CA C 13 60.557 0.2 . 1 . . . . 31 GLU CA . 19252 1 310 . 1 1 31 31 GLU CB C 13 28.222 0.2 . 1 . . . . 31 GLU CB . 19252 1 311 . 1 1 31 31 GLU CG C 13 37.209 0.2 . 1 . . . . 31 GLU CG . 19252 1 312 . 1 1 31 31 GLU N N 15 117.782 0.2 . 1 . . . . 31 GLU N . 19252 1 313 . 1 1 32 32 LEU H H 1 7.873 0.02 . 1 . . . . 32 LEU H . 19252 1 314 . 1 1 32 32 LEU HA H 1 4.294 0.02 . 1 . . . . 32 LEU HA . 19252 1 315 . 1 1 32 32 LEU HB2 H 1 1.938 0.02 . 2 . . . . 32 LEU HB2 . 19252 1 316 . 1 1 32 32 LEU HB3 H 1 1.888 0.02 . 2 . . . . 32 LEU HB3 . 19252 1 317 . 1 1 32 32 LEU HG H 1 1.712 0.02 . 1 . . . . 32 LEU HG . 19252 1 318 . 1 1 32 32 LEU HD11 H 1 1.186 0.02 . 1 . . . . 32 LEU QD1 . 19252 1 319 . 1 1 32 32 LEU HD12 H 1 1.186 0.02 . 1 . . . . 32 LEU QD1 . 19252 1 320 . 1 1 32 32 LEU HD13 H 1 1.186 0.02 . 1 . . . . 32 LEU QD1 . 19252 1 321 . 1 1 32 32 LEU HD21 H 1 1.096 0.02 . 1 . . . . 32 LEU QD2 . 19252 1 322 . 1 1 32 32 LEU HD22 H 1 1.096 0.02 . 1 . . . . 32 LEU QD2 . 19252 1 323 . 1 1 32 32 LEU HD23 H 1 1.096 0.02 . 1 . . . . 32 LEU QD2 . 19252 1 324 . 1 1 32 32 LEU CA C 13 58.18 0.2 . 1 . . . . 32 LEU CA . 19252 1 325 . 1 1 32 32 LEU CB C 13 42.307 0.2 . 1 . . . . 32 LEU CB . 19252 1 326 . 1 1 32 32 LEU CG C 13 27.465 0.2 . 1 . . . . 32 LEU CG . 19252 1 327 . 1 1 32 32 LEU CD1 C 13 27.126 0.2 . 2 . . . . 32 LEU CD1 . 19252 1 328 . 1 1 32 32 LEU CD2 C 13 24.209 0.2 . 2 . . . . 32 LEU CD2 . 19252 1 329 . 1 1 32 32 LEU N N 15 122.456 0.2 . 1 . . . . 32 LEU N . 19252 1 330 . 1 1 33 33 LEU H H 1 7.705 0.02 . 1 . . . . 33 LEU H . 19252 1 331 . 1 1 33 33 LEU HA H 1 4.143 0.02 . 1 . . . . 33 LEU HA . 19252 1 332 . 1 1 33 33 LEU HB2 H 1 2.15 0.02 . 2 . . . . 33 LEU HB2 . 19252 1 333 . 1 1 33 33 LEU HB3 H 1 1.215 0.02 . 2 . . . . 33 LEU HB3 . 19252 1 334 . 1 1 33 33 LEU HG H 1 1.811 0.02 . 1 . . . . 33 LEU HG . 19252 1 335 . 1 1 33 33 LEU HD11 H 1 0.802 0.02 . 1 . . . . 33 LEU QD1 . 19252 1 336 . 1 1 33 33 LEU HD12 H 1 0.802 0.02 . 1 . . . . 33 LEU QD1 . 19252 1 337 . 1 1 33 33 LEU HD13 H 1 0.802 0.02 . 1 . . . . 33 LEU QD1 . 19252 1 338 . 1 1 33 33 LEU HD21 H 1 0.585 0.02 . 1 . . . . 33 LEU QD2 . 19252 1 339 . 1 1 33 33 LEU HD22 H 1 0.585 0.02 . 1 . . . . 33 LEU QD2 . 19252 1 340 . 1 1 33 33 LEU HD23 H 1 0.585 0.02 . 1 . . . . 33 LEU QD2 . 19252 1 341 . 1 1 33 33 LEU CA C 13 57.557 0.2 . 1 . . . . 33 LEU CA . 19252 1 342 . 1 1 33 33 LEU CB C 13 42.668 0.2 . 1 . . . . 33 LEU CB . 19252 1 343 . 1 1 33 33 LEU CG C 13 26.405 0.2 . 1 . . . . 33 LEU CG . 19252 1 344 . 1 1 33 33 LEU CD1 C 13 22.766 0.2 . 2 . . . . 33 LEU CD1 . 19252 1 345 . 1 1 33 33 LEU CD2 C 13 26.663 0.2 . 2 . . . . 33 LEU CD2 . 19252 1 346 . 1 1 33 33 LEU N N 15 116.678 0.2 . 1 . . . . 33 LEU N . 19252 1 347 . 1 1 34 34 PHE H H 1 9.047 0.02 . 1 . . . . 34 PHE H . 19252 1 348 . 1 1 34 34 PHE HA H 1 3.787 0.02 . 1 . . . . 34 PHE HA . 19252 1 349 . 1 1 34 34 PHE HB2 H 1 3.4 0.02 . 2 . . . . 34 PHE HB2 . 19252 1 350 . 1 1 34 34 PHE HB3 H 1 3.117 0.02 . 2 . . . . 34 PHE HB3 . 19252 1 351 . 1 1 34 34 PHE HD1 H 1 7.086 0.02 . 3 . . . . 34 PHE QD . 19252 1 352 . 1 1 34 34 PHE HD2 H 1 7.086 0.02 . 3 . . . . 34 PHE QD . 19252 1 353 . 1 1 34 34 PHE CA C 13 62.606 0.2 . 1 . . . . 34 PHE CA . 19252 1 354 . 1 1 34 34 PHE CB C 13 39.466 0.2 . 1 . . . . 34 PHE CB . 19252 1 355 . 1 1 34 34 PHE CD1 C 13 131.709 0.2 . 3 . . . . 34 PHE CD1 . 19252 1 356 . 1 1 34 34 PHE CD2 C 13 131.709 0.2 . 3 . . . . 34 PHE CD2 . 19252 1 357 . 1 1 34 34 PHE N N 15 121.458 0.2 . 1 . . . . 34 PHE N . 19252 1 358 . 1 1 35 35 GLU H H 1 7.937 0.02 . 1 . . . . 35 GLU H . 19252 1 359 . 1 1 35 35 GLU HA H 1 4.081 0.02 . 1 . . . . 35 GLU HA . 19252 1 360 . 1 1 35 35 GLU HB2 H 1 2.252 0.02 . 2 . . . . 35 GLU QB . 19252 1 361 . 1 1 35 35 GLU HB3 H 1 2.252 0.02 . 2 . . . . 35 GLU QB . 19252 1 362 . 1 1 35 35 GLU HG2 H 1 2.461 0.02 . 2 . . . . 35 GLU HG2 . 19252 1 363 . 1 1 35 35 GLU HG3 H 1 2.378 0.02 . 2 . . . . 35 GLU HG3 . 19252 1 364 . 1 1 35 35 GLU CA C 13 59.195 0.2 . 1 . . . . 35 GLU CA . 19252 1 365 . 1 1 35 35 GLU CB C 13 29.744 0.2 . 1 . . . . 35 GLU CB . 19252 1 366 . 1 1 35 35 GLU CG C 13 36.225 0.2 . 1 . . . . 35 GLU CG . 19252 1 367 . 1 1 35 35 GLU N N 15 117.448 0.2 . 1 . . . . 35 GLU N . 19252 1 368 . 1 1 36 36 LEU H H 1 8.247 0.02 . 1 . . . . 36 LEU H . 19252 1 369 . 1 1 36 36 LEU HA H 1 4.144 0.02 . 1 . . . . 36 LEU HA . 19252 1 370 . 1 1 36 36 LEU HB2 H 1 1.734 0.02 . 2 . . . . 36 LEU HB2 . 19252 1 371 . 1 1 36 36 LEU HB3 H 1 1.712 0.02 . 2 . . . . 36 LEU HB3 . 19252 1 372 . 1 1 36 36 LEU HG H 1 1.28 0.02 . 1 . . . . 36 LEU HG . 19252 1 373 . 1 1 36 36 LEU HD11 H 1 0.808 0.02 . 1 . . . . 36 LEU QD1 . 19252 1 374 . 1 1 36 36 LEU HD12 H 1 0.808 0.02 . 1 . . . . 36 LEU QD1 . 19252 1 375 . 1 1 36 36 LEU HD13 H 1 0.808 0.02 . 1 . . . . 36 LEU QD1 . 19252 1 376 . 1 1 36 36 LEU HD21 H 1 0.705 0.02 . 1 . . . . 36 LEU QD2 . 19252 1 377 . 1 1 36 36 LEU HD22 H 1 0.705 0.02 . 1 . . . . 36 LEU QD2 . 19252 1 378 . 1 1 36 36 LEU HD23 H 1 0.705 0.02 . 1 . . . . 36 LEU QD2 . 19252 1 379 . 1 1 36 36 LEU CA C 13 57.88 0.2 . 1 . . . . 36 LEU CA . 19252 1 380 . 1 1 36 36 LEU CB C 13 43.212 0.2 . 1 . . . . 36 LEU CB . 19252 1 381 . 1 1 36 36 LEU CG C 13 26.489 0.2 . 1 . . . . 36 LEU CG . 19252 1 382 . 1 1 36 36 LEU CD1 C 13 24.137 0.2 . 2 . . . . 36 LEU CD1 . 19252 1 383 . 1 1 36 36 LEU CD2 C 13 25.611 0.2 . 2 . . . . 36 LEU CD2 . 19252 1 384 . 1 1 36 36 LEU N N 15 119.947 0.2 . 1 . . . . 36 LEU N . 19252 1 385 . 1 1 37 37 PHE H H 1 8.854 0.02 . 1 . . . . 37 PHE H . 19252 1 386 . 1 1 37 37 PHE HA H 1 4.032 0.02 . 1 . . . . 37 PHE HA . 19252 1 387 . 1 1 37 37 PHE HB2 H 1 2.954 0.02 . 2 . . . . 37 PHE HB2 . 19252 1 388 . 1 1 37 37 PHE HB3 H 1 2.881 0.02 . 2 . . . . 37 PHE HB3 . 19252 1 389 . 1 1 37 37 PHE HD1 H 1 7.601 0.02 . 3 . . . . 37 PHE QD . 19252 1 390 . 1 1 37 37 PHE HD2 H 1 7.601 0.02 . 3 . . . . 37 PHE QD . 19252 1 391 . 1 1 37 37 PHE HE1 H 1 7.085 0.02 . 3 . . . . 37 PHE QE . 19252 1 392 . 1 1 37 37 PHE HE2 H 1 7.085 0.02 . 3 . . . . 37 PHE QE . 19252 1 393 . 1 1 37 37 PHE CA C 13 62.338 0.2 . 1 . . . . 37 PHE CA . 19252 1 394 . 1 1 37 37 PHE CB C 13 37.658 0.2 . 1 . . . . 37 PHE CB . 19252 1 395 . 1 1 37 37 PHE CD1 C 13 131.738 0.2 . 3 . . . . 37 PHE CD1 . 19252 1 396 . 1 1 37 37 PHE CD2 C 13 131.738 0.2 . 3 . . . . 37 PHE CD2 . 19252 1 397 . 1 1 37 37 PHE CE1 C 13 130.387 0.2 . 3 . . . . 37 PHE CE1 . 19252 1 398 . 1 1 37 37 PHE CE2 C 13 130.387 0.2 . 3 . . . . 37 PHE CE2 . 19252 1 399 . 1 1 37 37 PHE N N 15 114.426 0.2 . 1 . . . . 37 PHE N . 19252 1 400 . 1 1 38 38 HIS HB2 H 1 3.22 0.02 . 2 . . . . 38 HIS HB2 . 19252 1 401 . 1 1 38 38 HIS HB3 H 1 3.037 0.02 . 2 . . . . 38 HIS HB3 . 19252 1 402 . 1 1 38 38 HIS HE1 H 1 7.925 0.02 . 1 . . . . 38 HIS HE1 . 19252 1 403 . 1 1 38 38 HIS CB C 13 28.38 0.2 . 1 . . . . 38 HIS CB . 19252 1 404 . 1 1 38 38 HIS CE1 C 13 138.077 0.2 . 1 . . . . 38 HIS CE1 . 19252 1 405 . 1 1 39 39 GLN H H 1 7.461 0.02 . 1 . . . . 39 GLN H . 19252 1 406 . 1 1 39 39 GLN HA H 1 4.087 0.02 . 1 . . . . 39 GLN HA . 19252 1 407 . 1 1 39 39 GLN HB2 H 1 2.146 0.02 . 2 . . . . 39 GLN QB . 19252 1 408 . 1 1 39 39 GLN HB3 H 1 2.146 0.02 . 2 . . . . 39 GLN QB . 19252 1 409 . 1 1 39 39 GLN HG2 H 1 2.609 0.02 . 2 . . . . 39 GLN HG2 . 19252 1 410 . 1 1 39 39 GLN HG3 H 1 2.399 0.02 . 2 . . . . 39 GLN HG3 . 19252 1 411 . 1 1 39 39 GLN CA C 13 58.184 0.2 . 1 . . . . 39 GLN CA . 19252 1 412 . 1 1 39 39 GLN CB C 13 29.694 0.2 . 1 . . . . 39 GLN CB . 19252 1 413 . 1 1 39 39 GLN CG C 13 34.624 0.2 . 1 . . . . 39 GLN CG . 19252 1 414 . 1 1 39 39 GLN N N 15 116.348 0.2 . 1 . . . . 39 GLN N . 19252 1 415 . 1 1 40 40 ALA H H 1 8.045 0.02 . 1 . . . . 40 ALA H . 19252 1 416 . 1 1 40 40 ALA HA H 1 4.451 0.02 . 1 . . . . 40 ALA HA . 19252 1 417 . 1 1 40 40 ALA HB1 H 1 1.542 0.02 . 1 . . . . 40 ALA QB . 19252 1 418 . 1 1 40 40 ALA HB2 H 1 1.542 0.02 . 1 . . . . 40 ALA QB . 19252 1 419 . 1 1 40 40 ALA HB3 H 1 1.542 0.02 . 1 . . . . 40 ALA QB . 19252 1 420 . 1 1 40 40 ALA CA C 13 51.865 0.2 . 1 . . . . 40 ALA CA . 19252 1 421 . 1 1 40 40 ALA CB C 13 20.137 0.2 . 1 . . . . 40 ALA CB . 19252 1 422 . 1 1 40 40 ALA N N 15 118.672 0.2 . 1 . . . . 40 ALA N . 19252 1 423 . 1 1 41 41 GLY H H 1 7.644 0.02 . 1 . . . . 41 GLY H . 19252 1 424 . 1 1 41 41 GLY HA2 H 1 4.277 0.02 . 2 . . . . 41 GLY HA2 . 19252 1 425 . 1 1 41 41 GLY HA3 H 1 3.977 0.02 . 2 . . . . 41 GLY HA3 . 19252 1 426 . 1 1 41 41 GLY CA C 13 44.335 0.2 . 1 . . . . 41 GLY CA . 19252 1 427 . 1 1 41 41 GLY N N 15 108.455 0.2 . 1 . . . . 41 GLY N . 19252 1 428 . 1 1 43 43 VAL HA H 1 3.826 0.02 . 1 . . . . 43 VAL HA . 19252 1 429 . 1 1 43 43 VAL HB H 1 1.281 0.02 . 1 . . . . 43 VAL HB . 19252 1 430 . 1 1 43 43 VAL HG11 H 1 0.349 0.02 . 1 . . . . 43 VAL QG1 . 19252 1 431 . 1 1 43 43 VAL HG12 H 1 0.349 0.02 . 1 . . . . 43 VAL QG1 . 19252 1 432 . 1 1 43 43 VAL HG13 H 1 0.349 0.02 . 1 . . . . 43 VAL QG1 . 19252 1 433 . 1 1 43 43 VAL HG21 H 1 0.51 0.02 . 1 . . . . 43 VAL QG2 . 19252 1 434 . 1 1 43 43 VAL HG22 H 1 0.51 0.02 . 1 . . . . 43 VAL QG2 . 19252 1 435 . 1 1 43 43 VAL HG23 H 1 0.51 0.02 . 1 . . . . 43 VAL QG2 . 19252 1 436 . 1 1 43 43 VAL CA C 13 61.767 0.2 . 1 . . . . 43 VAL CA . 19252 1 437 . 1 1 43 43 VAL CB C 13 34.452 0.2 . 1 . . . . 43 VAL CB . 19252 1 438 . 1 1 43 43 VAL CG1 C 13 23.159 0.2 . 2 . . . . 43 VAL CG1 . 19252 1 439 . 1 1 43 43 VAL CG2 C 13 21.931 0.2 . 2 . . . . 43 VAL CG2 . 19252 1 440 . 1 1 44 44 ILE H H 1 8.882 0.02 . 1 . . . . 44 ILE H . 19252 1 441 . 1 1 44 44 ILE HA H 1 4.165 0.02 . 1 . . . . 44 ILE HA . 19252 1 442 . 1 1 44 44 ILE HB H 1 1.74 0.02 . 1 . . . . 44 ILE HB . 19252 1 443 . 1 1 44 44 ILE HG12 H 1 1.304 0.02 . 2 . . . . 44 ILE HG12 . 19252 1 444 . 1 1 44 44 ILE HG13 H 1 1.028 0.02 . 2 . . . . 44 ILE HG13 . 19252 1 445 . 1 1 44 44 ILE HG21 H 1 0.872 0.02 . 1 . . . . 44 ILE QG2 . 19252 1 446 . 1 1 44 44 ILE HG22 H 1 0.872 0.02 . 1 . . . . 44 ILE QG2 . 19252 1 447 . 1 1 44 44 ILE HG23 H 1 0.872 0.02 . 1 . . . . 44 ILE QG2 . 19252 1 448 . 1 1 44 44 ILE HD11 H 1 0.745 0.02 . 1 . . . . 44 ILE QD1 . 19252 1 449 . 1 1 44 44 ILE HD12 H 1 0.745 0.02 . 1 . . . . 44 ILE QD1 . 19252 1 450 . 1 1 44 44 ILE HD13 H 1 0.745 0.02 . 1 . . . . 44 ILE QD1 . 19252 1 451 . 1 1 44 44 ILE CA C 13 61.615 0.2 . 1 . . . . 44 ILE CA . 19252 1 452 . 1 1 44 44 ILE CB C 13 37.807 0.2 . 1 . . . . 44 ILE CB . 19252 1 453 . 1 1 44 44 ILE CG1 C 13 26.838 0.2 . 1 . . . . 44 ILE CG1 . 19252 1 454 . 1 1 44 44 ILE CG2 C 13 17.062 0.2 . 1 . . . . 44 ILE CG2 . 19252 1 455 . 1 1 44 44 ILE CD1 C 13 11.553 0.2 . 1 . . . . 44 ILE CD1 . 19252 1 456 . 1 1 44 44 ILE N N 15 124.415 0.2 . 1 . . . . 44 ILE N . 19252 1 457 . 1 1 45 45 LYS H H 1 7.466 0.02 . 1 . . . . 45 LYS H . 19252 1 458 . 1 1 45 45 LYS HA H 1 4.675 0.02 . 1 . . . . 45 LYS HA . 19252 1 459 . 1 1 45 45 LYS HB2 H 1 1.892 0.02 . 2 . . . . 45 LYS HB2 . 19252 1 460 . 1 1 45 45 LYS HB3 H 1 1.81 0.02 . 2 . . . . 45 LYS HB3 . 19252 1 461 . 1 1 45 45 LYS HG2 H 1 1.325 0.02 . 2 . . . . 45 LYS HG2 . 19252 1 462 . 1 1 45 45 LYS HG3 H 1 1.295 0.02 . 2 . . . . 45 LYS HG3 . 19252 1 463 . 1 1 45 45 LYS HD2 H 1 1.682 0.02 . 2 . . . . 45 LYS HD2 . 19252 1 464 . 1 1 45 45 LYS HD3 H 1 1.636 0.02 . 2 . . . . 45 LYS HD3 . 19252 1 465 . 1 1 45 45 LYS HE2 H 1 2.912 0.02 . 2 . . . . 45 LYS QE . 19252 1 466 . 1 1 45 45 LYS HE3 H 1 2.912 0.02 . 2 . . . . 45 LYS QE . 19252 1 467 . 1 1 45 45 LYS CA C 13 55.73 0.2 . 1 . . . . 45 LYS CA . 19252 1 468 . 1 1 45 45 LYS CB C 13 35.879 0.2 . 1 . . . . 45 LYS CB . 19252 1 469 . 1 1 45 45 LYS CG C 13 24.343 0.2 . 1 . . . . 45 LYS CG . 19252 1 470 . 1 1 45 45 LYS CD C 13 29.146 0.2 . 1 . . . . 45 LYS CD . 19252 1 471 . 1 1 45 45 LYS CE C 13 41.841 0.2 . 1 . . . . 45 LYS CE . 19252 1 472 . 1 1 45 45 LYS N N 15 116.56 0.2 . 1 . . . . 45 LYS N . 19252 1 473 . 1 1 46 46 VAL H H 1 8.662 0.02 . 1 . . . . 46 VAL H . 19252 1 474 . 1 1 46 46 VAL HA H 1 4.728 0.02 . 1 . . . . 46 VAL HA . 19252 1 475 . 1 1 46 46 VAL HB H 1 1.917 0.02 . 1 . . . . 46 VAL HB . 19252 1 476 . 1 1 46 46 VAL HG11 H 1 0.874 0.02 . 2 . . . . 46 VAL HG1 . 19252 1 477 . 1 1 46 46 VAL HG12 H 1 0.874 0.02 . 2 . . . . 46 VAL HG1 . 19252 1 478 . 1 1 46 46 VAL HG13 H 1 0.874 0.02 . 2 . . . . 46 VAL HG1 . 19252 1 479 . 1 1 46 46 VAL HG21 H 1 0.822 0.02 . 2 . . . . 46 VAL HG2 . 19252 1 480 . 1 1 46 46 VAL HG22 H 1 0.822 0.02 . 2 . . . . 46 VAL HG2 . 19252 1 481 . 1 1 46 46 VAL HG23 H 1 0.822 0.02 . 2 . . . . 46 VAL HG2 . 19252 1 482 . 1 1 46 46 VAL CA C 13 61.005 0.2 . 1 . . . . 46 VAL CA . 19252 1 483 . 1 1 46 46 VAL CB C 13 34.728 0.2 . 1 . . . . 46 VAL CB . 19252 1 484 . 1 1 46 46 VAL CG1 C 13 22.402 0.2 . 2 . . . . 46 VAL CG1 . 19252 1 485 . 1 1 46 46 VAL CG2 C 13 21.775 0.2 . 2 . . . . 46 VAL CG2 . 19252 1 486 . 1 1 46 46 VAL N N 15 122.821 0.2 . 1 . . . . 46 VAL N . 19252 1 487 . 1 1 47 47 LYS H H 1 8.641 0.02 . 1 . . . . 47 LYS H . 19252 1 488 . 1 1 47 47 LYS HA H 1 4.893 0.02 . 1 . . . . 47 LYS HA . 19252 1 489 . 1 1 47 47 LYS HB2 H 1 1.623 0.02 . 2 . . . . 47 LYS HB2 . 19252 1 490 . 1 1 47 47 LYS HB3 H 1 1.816 0.02 . 2 . . . . 47 LYS HB3 . 19252 1 491 . 1 1 47 47 LYS HG2 H 1 1.342 0.02 . 2 . . . . 47 LYS HG2 . 19252 1 492 . 1 1 47 47 LYS HG3 H 1 1.233 0.02 . 2 . . . . 47 LYS HG3 . 19252 1 493 . 1 1 47 47 LYS HD2 H 1 1.773 0.02 . 2 . . . . 47 LYS HD2 . 19252 1 494 . 1 1 47 47 LYS HD3 H 1 1.742 0.02 . 2 . . . . 47 LYS HD3 . 19252 1 495 . 1 1 47 47 LYS HE2 H 1 2.958 0.02 . 2 . . . . 47 LYS QE . 19252 1 496 . 1 1 47 47 LYS HE3 H 1 2.958 0.02 . 2 . . . . 47 LYS QE . 19252 1 497 . 1 1 47 47 LYS CA C 13 53.717 0.2 . 1 . . . . 47 LYS CA . 19252 1 498 . 1 1 47 47 LYS CB C 13 36.707 0.2 . 1 . . . . 47 LYS CB . 19252 1 499 . 1 1 47 47 LYS CG C 13 24.675 0.2 . 1 . . . . 47 LYS CG . 19252 1 500 . 1 1 47 47 LYS CD C 13 28.798 0.2 . 1 . . . . 47 LYS CD . 19252 1 501 . 1 1 47 47 LYS CE C 13 42.037 0.2 . 1 . . . . 47 LYS CE . 19252 1 502 . 1 1 47 47 LYS N N 15 125.397 0.2 . 1 . . . . 47 LYS N . 19252 1 503 . 1 1 48 48 ILE H H 1 9.727 0.02 . 1 . . . . 48 ILE H . 19252 1 504 . 1 1 48 48 ILE HA H 1 4.812 0.02 . 1 . . . . 48 ILE HA . 19252 1 505 . 1 1 48 48 ILE HB H 1 1.715 0.02 . 1 . . . . 48 ILE HB . 19252 1 506 . 1 1 48 48 ILE HG12 H 1 1.361 0.02 . 2 . . . . 48 ILE HG12 . 19252 1 507 . 1 1 48 48 ILE HG13 H 1 0.781 0.02 . 2 . . . . 48 ILE HG13 . 19252 1 508 . 1 1 48 48 ILE HG21 H 1 0.929 0.02 . 1 . . . . 48 ILE QG2 . 19252 1 509 . 1 1 48 48 ILE HG22 H 1 0.929 0.02 . 1 . . . . 48 ILE QG2 . 19252 1 510 . 1 1 48 48 ILE HG23 H 1 0.929 0.02 . 1 . . . . 48 ILE QG2 . 19252 1 511 . 1 1 48 48 ILE HD11 H 1 0.667 0.02 . 1 . . . . 48 ILE QD1 . 19252 1 512 . 1 1 48 48 ILE HD12 H 1 0.667 0.02 . 1 . . . . 48 ILE QD1 . 19252 1 513 . 1 1 48 48 ILE HD13 H 1 0.667 0.02 . 1 . . . . 48 ILE QD1 . 19252 1 514 . 1 1 48 48 ILE CA C 13 58.595 0.2 . 1 . . . . 48 ILE CA . 19252 1 515 . 1 1 48 48 ILE CB C 13 39.278 0.2 . 1 . . . . 48 ILE CB . 19252 1 516 . 1 1 48 48 ILE CG1 C 13 28.459 0.2 . 1 . . . . 48 ILE CG1 . 19252 1 517 . 1 1 48 48 ILE CG2 C 13 16.78 0.2 . 1 . . . . 48 ILE CG2 . 19252 1 518 . 1 1 48 48 ILE CD1 C 13 13.402 0.2 . 1 . . . . 48 ILE CD1 . 19252 1 519 . 1 1 48 48 ILE N N 15 129.131 0.2 . 1 . . . . 48 ILE N . 19252 1 520 . 1 1 49 49 PRO HA H 1 4.376 0.02 . 1 . . . . 49 PRO HA . 19252 1 521 . 1 1 49 49 PRO HB2 H 1 2.439 0.02 . 2 . . . . 49 PRO HB2 . 19252 1 522 . 1 1 49 49 PRO HB3 H 1 1.673 0.02 . 2 . . . . 49 PRO HB3 . 19252 1 523 . 1 1 49 49 PRO HG2 H 1 1.923 0.02 . 2 . . . . 49 PRO HG2 . 19252 1 524 . 1 1 49 49 PRO HG3 H 1 1.853 0.02 . 2 . . . . 49 PRO HG3 . 19252 1 525 . 1 1 49 49 PRO HD2 H 1 3.814 0.02 . 2 . . . . 49 PRO HD2 . 19252 1 526 . 1 1 49 49 PRO HD3 H 1 3.535 0.02 . 2 . . . . 49 PRO HD3 . 19252 1 527 . 1 1 49 49 PRO CA C 13 62.653 0.2 . 1 . . . . 49 PRO CA . 19252 1 528 . 1 1 49 49 PRO CB C 13 33.096 0.2 . 1 . . . . 49 PRO CB . 19252 1 529 . 1 1 49 49 PRO CG C 13 28.078 0.2 . 1 . . . . 49 PRO CG . 19252 1 530 . 1 1 49 49 PRO CD C 13 51.316 0.2 . 1 . . . . 49 PRO CD . 19252 1 531 . 1 1 50 50 LYS H H 1 8.29 0.02 . 1 . . . . 50 LYS H . 19252 1 532 . 1 1 50 50 LYS HA H 1 4.92 0.02 . 1 . . . . 50 LYS HA . 19252 1 533 . 1 1 50 50 LYS HB2 H 1 1.68 0.02 . 2 . . . . 50 LYS HB2 . 19252 1 534 . 1 1 50 50 LYS HB3 H 1 1.517 0.02 . 2 . . . . 50 LYS HB3 . 19252 1 535 . 1 1 50 50 LYS HG2 H 1 1.459 0.02 . 2 . . . . 50 LYS HG2 . 19252 1 536 . 1 1 50 50 LYS HG3 H 1 1.139 0.02 . 2 . . . . 50 LYS HG3 . 19252 1 537 . 1 1 50 50 LYS HD2 H 1 1.592 0.02 . 2 . . . . 50 LYS HD2 . 19252 1 538 . 1 1 50 50 LYS HD3 H 1 1.523 0.02 . 2 . . . . 50 LYS HD3 . 19252 1 539 . 1 1 50 50 LYS HE2 H 1 3.001 0.02 . 2 . . . . 50 LYS QE . 19252 1 540 . 1 1 50 50 LYS HE3 H 1 3.001 0.02 . 2 . . . . 50 LYS QE . 19252 1 541 . 1 1 50 50 LYS CA C 13 53.878 0.2 . 1 . . . . 50 LYS CA . 19252 1 542 . 1 1 50 50 LYS CB C 13 36.073 0.2 . 1 . . . . 50 LYS CB . 19252 1 543 . 1 1 50 50 LYS CG C 13 25.443 0.2 . 1 . . . . 50 LYS CG . 19252 1 544 . 1 1 50 50 LYS CD C 13 28.81 0.2 . 1 . . . . 50 LYS CD . 19252 1 545 . 1 1 50 50 LYS CE C 13 42.284 0.2 . 1 . . . . 50 LYS CE . 19252 1 546 . 1 1 50 50 LYS N N 15 117.247 0.2 . 1 . . . . 50 LYS N . 19252 1 547 . 1 1 51 51 ASP H H 1 8.867 0.02 . 1 . . . . 51 ASP H . 19252 1 548 . 1 1 51 51 ASP HA H 1 4.642 0.02 . 1 . . . . 51 ASP HA . 19252 1 549 . 1 1 51 51 ASP HB2 H 1 3.344 0.02 . 2 . . . . 51 ASP HB2 . 19252 1 550 . 1 1 51 51 ASP HB3 H 1 2.634 0.02 . 2 . . . . 51 ASP HB3 . 19252 1 551 . 1 1 51 51 ASP CA C 13 52.265 0.2 . 1 . . . . 51 ASP CA . 19252 1 552 . 1 1 51 51 ASP CB C 13 41.7 0.2 . 1 . . . . 51 ASP CB . 19252 1 553 . 1 1 51 51 ASP N N 15 121.09 0.2 . 1 . . . . 51 ASP N . 19252 1 554 . 1 1 52 52 LYS H H 1 8.571 0.02 . 1 . . . . 52 LYS H . 19252 1 555 . 1 1 52 52 LYS HA H 1 4.137 0.02 . 1 . . . . 52 LYS HA . 19252 1 556 . 1 1 52 52 LYS HB2 H 1 1.88 0.02 . 2 . . . . 52 LYS HB2 . 19252 1 557 . 1 1 52 52 LYS HB3 H 1 1.936 0.02 . 2 . . . . 52 LYS HB3 . 19252 1 558 . 1 1 52 52 LYS HG2 H 1 1.46 0.02 . 2 . . . . 52 LYS HG2 . 19252 1 559 . 1 1 52 52 LYS HG3 H 1 1.423 0.02 . 2 . . . . 52 LYS HG3 . 19252 1 560 . 1 1 52 52 LYS HD2 H 1 1.714 0.02 . 2 . . . . 52 LYS HD2 . 19252 1 561 . 1 1 52 52 LYS HD3 H 1 1.68 0.02 . 2 . . . . 52 LYS HD3 . 19252 1 562 . 1 1 52 52 LYS HE2 H 1 3.038 0.02 . 2 . . . . 52 LYS QE . 19252 1 563 . 1 1 52 52 LYS HE3 H 1 3.038 0.02 . 2 . . . . 52 LYS QE . 19252 1 564 . 1 1 52 52 LYS CA C 13 58.561 0.2 . 1 . . . . 52 LYS CA . 19252 1 565 . 1 1 52 52 LYS CB C 13 31.724 0.2 . 1 . . . . 52 LYS CB . 19252 1 566 . 1 1 52 52 LYS CG C 13 24.098 0.2 . 1 . . . . 52 LYS CG . 19252 1 567 . 1 1 52 52 LYS CD C 13 29.044 0.2 . 1 . . . . 52 LYS CD . 19252 1 568 . 1 1 52 52 LYS CE C 13 41.953 0.2 . 1 . . . . 52 LYS CE . 19252 1 569 . 1 1 52 52 LYS N N 15 118.114 0.2 . 1 . . . . 52 LYS N . 19252 1 570 . 1 1 53 53 ASP H H 1 8.201 0.02 . 1 . . . . 53 ASP H . 19252 1 571 . 1 1 53 53 ASP HA H 1 4.822 0.02 . 1 . . . . 53 ASP HA . 19252 1 572 . 1 1 53 53 ASP HB2 H 1 2.88 0.02 . 2 . . . . 53 ASP HB2 . 19252 1 573 . 1 1 53 53 ASP HB3 H 1 2.715 0.02 . 2 . . . . 53 ASP HB3 . 19252 1 574 . 1 1 53 53 ASP CA C 13 54.07 0.2 . 1 . . . . 53 ASP CA . 19252 1 575 . 1 1 53 53 ASP CB C 13 41.632 0.2 . 1 . . . . 53 ASP CB . 19252 1 576 . 1 1 53 53 ASP N N 15 118.925 0.2 . 1 . . . . 53 ASP N . 19252 1 577 . 1 1 54 54 GLY H H 1 8.292 0.02 . 1 . . . . 54 GLY H . 19252 1 578 . 1 1 54 54 GLY HA2 H 1 4.25 0.02 . 2 . . . . 54 GLY HA2 . 19252 1 579 . 1 1 54 54 GLY HA3 H 1 3.603 0.02 . 2 . . . . 54 GLY HA3 . 19252 1 580 . 1 1 54 54 GLY CA C 13 45.294 0.2 . 1 . . . . 54 GLY CA . 19252 1 581 . 1 1 54 54 GLY N N 15 108.767 0.2 . 1 . . . . 54 GLY N . 19252 1 582 . 1 1 55 55 LYS H H 1 8.379 0.02 . 1 . . . . 55 LYS H . 19252 1 583 . 1 1 55 55 LYS HA H 1 4.664 0.02 . 1 . . . . 55 LYS HA . 19252 1 584 . 1 1 55 55 LYS HB2 H 1 1.97 0.02 . 2 . . . . 55 LYS HB2 . 19252 1 585 . 1 1 55 55 LYS HB3 H 1 1.841 0.02 . 2 . . . . 55 LYS HB3 . 19252 1 586 . 1 1 55 55 LYS HG2 H 1 1.977 0.02 . 2 . . . . 55 LYS HG2 . 19252 1 587 . 1 1 55 55 LYS HG3 H 1 1.707 0.02 . 2 . . . . 55 LYS HG3 . 19252 1 588 . 1 1 55 55 LYS HD2 H 1 1.446 0.02 . 2 . . . . 55 LYS HD2 . 19252 1 589 . 1 1 55 55 LYS HD3 H 1 1.387 0.02 . 2 . . . . 55 LYS HD3 . 19252 1 590 . 1 1 55 55 LYS HE2 H 1 3.002 0.02 . 2 . . . . 55 LYS QE . 19252 1 591 . 1 1 55 55 LYS HE3 H 1 3.002 0.02 . 2 . . . . 55 LYS QE . 19252 1 592 . 1 1 55 55 LYS CA C 13 53.737 0.2 . 1 . . . . 55 LYS CA . 19252 1 593 . 1 1 55 55 LYS CB C 13 31.779 0.2 . 1 . . . . 55 LYS CB . 19252 1 594 . 1 1 55 55 LYS CG C 13 28.874 0.2 . 1 . . . . 55 LYS CG . 19252 1 595 . 1 1 55 55 LYS CD C 13 24.796 0.2 . 1 . . . . 55 LYS CD . 19252 1 596 . 1 1 55 55 LYS CE C 13 41.933 0.2 . 1 . . . . 55 LYS CE . 19252 1 597 . 1 1 55 55 LYS N N 15 123.673 0.2 . 1 . . . . 55 LYS N . 19252 1 598 . 1 1 56 56 PRO HA H 1 4.523 0.02 . 1 . . . . 56 PRO HA . 19252 1 599 . 1 1 56 56 PRO HB2 H 1 2.25 0.02 . 2 . . . . 56 PRO HB2 . 19252 1 600 . 1 1 56 56 PRO HB3 H 1 1.954 0.02 . 2 . . . . 56 PRO HB3 . 19252 1 601 . 1 1 56 56 PRO HG2 H 1 2.142 0.02 . 2 . . . . 56 PRO HG2 . 19252 1 602 . 1 1 56 56 PRO HG3 H 1 1.982 0.02 . 2 . . . . 56 PRO HG3 . 19252 1 603 . 1 1 56 56 PRO HD2 H 1 4.001 0.02 . 2 . . . . 56 PRO HD2 . 19252 1 604 . 1 1 56 56 PRO HD3 H 1 3.667 0.02 . 2 . . . . 56 PRO HD3 . 19252 1 605 . 1 1 56 56 PRO CA C 13 63.238 0.2 . 1 . . . . 56 PRO CA . 19252 1 606 . 1 1 56 56 PRO CB C 13 32.665 0.2 . 1 . . . . 56 PRO CB . 19252 1 607 . 1 1 56 56 PRO CG C 13 27.892 0.2 . 1 . . . . 56 PRO CG . 19252 1 608 . 1 1 56 56 PRO CD C 13 50.756 0.2 . 1 . . . . 56 PRO CD . 19252 1 609 . 1 1 57 57 LYS H H 1 8.285 0.02 . 1 . . . . 57 LYS H . 19252 1 610 . 1 1 57 57 LYS HA H 1 4.263 0.02 . 1 . . . . 57 LYS HA . 19252 1 611 . 1 1 57 57 LYS HB2 H 1 1.452 0.02 . 2 . . . . 57 LYS HB2 . 19252 1 612 . 1 1 57 57 LYS HB3 H 1 1.023 0.02 . 2 . . . . 57 LYS HB3 . 19252 1 613 . 1 1 57 57 LYS HG2 H 1 1.251 0.02 . 2 . . . . 57 LYS HG2 . 19252 1 614 . 1 1 57 57 LYS HG3 H 1 1.191 0.02 . 2 . . . . 57 LYS HG3 . 19252 1 615 . 1 1 57 57 LYS HD2 H 1 1.501 0.02 . 2 . . . . 57 LYS QD . 19252 1 616 . 1 1 57 57 LYS HD3 H 1 1.501 0.02 . 2 . . . . 57 LYS QD . 19252 1 617 . 1 1 57 57 LYS HE2 H 1 2.881 0.02 . 2 . . . . 57 LYS QE . 19252 1 618 . 1 1 57 57 LYS HE3 H 1 2.881 0.02 . 2 . . . . 57 LYS QE . 19252 1 619 . 1 1 57 57 LYS CA C 13 55.289 0.2 . 1 . . . . 57 LYS CA . 19252 1 620 . 1 1 57 57 LYS CB C 13 32.036 0.2 . 1 . . . . 57 LYS CB . 19252 1 621 . 1 1 57 57 LYS CG C 13 25.96 0.2 . 1 . . . . 57 LYS CG . 19252 1 622 . 1 1 57 57 LYS CD C 13 29.022 0.2 . 1 . . . . 57 LYS CD . 19252 1 623 . 1 1 57 57 LYS CE C 13 42 0.2 . 1 . . . . 57 LYS CE . 19252 1 624 . 1 1 57 57 LYS N N 15 121.544 0.2 . 1 . . . . 57 LYS N . 19252 1 625 . 1 1 58 58 GLN H H 1 8.023 0.02 . 1 . . . . 58 GLN H . 19252 1 626 . 1 1 58 58 GLN HA H 1 4.346 0.02 . 1 . . . . 58 GLN HA . 19252 1 627 . 1 1 58 58 GLN HB2 H 1 2.638 0.02 . 2 . . . . 58 GLN HB2 . 19252 1 628 . 1 1 58 58 GLN HB3 H 1 2.115 0.02 . 2 . . . . 58 GLN HB3 . 19252 1 629 . 1 1 58 58 GLN HG2 H 1 2.363 0.02 . 2 . . . . 58 GLN HG2 . 19252 1 630 . 1 1 58 58 GLN HG3 H 1 2.235 0.02 . 2 . . . . 58 GLN HG3 . 19252 1 631 . 1 1 58 58 GLN HE21 H 1 7.681 0.02 . 2 . . . . 58 GLN HE21 . 19252 1 632 . 1 1 58 58 GLN HE22 H 1 6.875 0.02 . 2 . . . . 58 GLN HE22 . 19252 1 633 . 1 1 58 58 GLN CA C 13 56.03 0.2 . 1 . . . . 58 GLN CA . 19252 1 634 . 1 1 58 58 GLN CB C 13 27.422 0.2 . 1 . . . . 58 GLN CB . 19252 1 635 . 1 1 58 58 GLN CG C 13 35.228 0.2 . 1 . . . . 58 GLN CG . 19252 1 636 . 1 1 58 58 GLN N N 15 115.383 0.2 . 1 . . . . 58 GLN N . 19252 1 637 . 1 1 58 58 GLN NE2 N 15 112.437 0.2 . 1 . . . . 58 GLN NE2 . 19252 1 638 . 1 1 59 59 PHE H H 1 7.02 0.02 . 1 . . . . 59 PHE H . 19252 1 639 . 1 1 59 59 PHE HA H 1 5.138 0.02 . 1 . . . . 59 PHE HA . 19252 1 640 . 1 1 59 59 PHE HB2 H 1 2.883 0.02 . 2 . . . . 59 PHE HB2 . 19252 1 641 . 1 1 59 59 PHE HB3 H 1 2.297 0.02 . 2 . . . . 59 PHE HB3 . 19252 1 642 . 1 1 59 59 PHE HD1 H 1 6.703 0.02 . 3 . . . . 59 PHE QD . 19252 1 643 . 1 1 59 59 PHE HD2 H 1 6.703 0.02 . 3 . . . . 59 PHE QD . 19252 1 644 . 1 1 59 59 PHE HE1 H 1 7.276 0.02 . 3 . . . . 59 PHE QE . 19252 1 645 . 1 1 59 59 PHE HE2 H 1 7.276 0.02 . 3 . . . . 59 PHE QE . 19252 1 646 . 1 1 59 59 PHE CA C 13 54.994 0.2 . 1 . . . . 59 PHE CA . 19252 1 647 . 1 1 59 59 PHE CB C 13 42.199 0.2 . 1 . . . . 59 PHE CB . 19252 1 648 . 1 1 59 59 PHE CD1 C 13 132.786 0.2 . 3 . . . . 59 PHE CD1 . 19252 1 649 . 1 1 59 59 PHE CD2 C 13 132.786 0.2 . 3 . . . . 59 PHE CD2 . 19252 1 650 . 1 1 59 59 PHE CE1 C 13 130.844 0.2 . 3 . . . . 59 PHE CE1 . 19252 1 651 . 1 1 59 59 PHE CE2 C 13 130.844 0.2 . 3 . . . . 59 PHE CE2 . 19252 1 652 . 1 1 59 59 PHE N N 15 114.807 0.2 . 1 . . . . 59 PHE N . 19252 1 653 . 1 1 60 60 ALA H H 1 8.651 0.02 . 1 . . . . 60 ALA H . 19252 1 654 . 1 1 60 60 ALA HA H 1 5.037 0.02 . 1 . . . . 60 ALA HA . 19252 1 655 . 1 1 60 60 ALA HB1 H 1 0.908 0.02 . 1 . . . . 60 ALA QB . 19252 1 656 . 1 1 60 60 ALA HB2 H 1 0.908 0.02 . 1 . . . . 60 ALA QB . 19252 1 657 . 1 1 60 60 ALA HB3 H 1 0.908 0.02 . 1 . . . . 60 ALA QB . 19252 1 658 . 1 1 60 60 ALA CA C 13 49.032 0.2 . 1 . . . . 60 ALA CA . 19252 1 659 . 1 1 60 60 ALA CB C 13 25.505 0.2 . 1 . . . . 60 ALA CB . 19252 1 660 . 1 1 60 60 ALA N N 15 116.568 0.2 . 1 . . . . 60 ALA N . 19252 1 661 . 1 1 61 61 PHE H H 1 8.693 0.02 . 1 . . . . 61 PHE H . 19252 1 662 . 1 1 61 61 PHE HA H 1 5.556 0.02 . 1 . . . . 61 PHE HA . 19252 1 663 . 1 1 61 61 PHE HB2 H 1 2.918 0.02 . 2 . . . . 61 PHE HB2 . 19252 1 664 . 1 1 61 61 PHE HB3 H 1 2.79 0.02 . 2 . . . . 61 PHE HB3 . 19252 1 665 . 1 1 61 61 PHE HD1 H 1 7.176 0.02 . 3 . . . . 61 PHE QD . 19252 1 666 . 1 1 61 61 PHE HD2 H 1 7.176 0.02 . 3 . . . . 61 PHE QD . 19252 1 667 . 1 1 61 61 PHE CA C 13 55.844 0.2 . 1 . . . . 61 PHE CA . 19252 1 668 . 1 1 61 61 PHE CB C 13 41.864 0.2 . 1 . . . . 61 PHE CB . 19252 1 669 . 1 1 61 61 PHE CD1 C 13 132.085 0.2 . 3 . . . . 61 PHE CD1 . 19252 1 670 . 1 1 61 61 PHE CD2 C 13 132.085 0.2 . 3 . . . . 61 PHE CD2 . 19252 1 671 . 1 1 61 61 PHE N N 15 115.303 0.2 . 1 . . . . 61 PHE N . 19252 1 672 . 1 1 62 62 VAL H H 1 8.919 0.02 . 1 . . . . 62 VAL H . 19252 1 673 . 1 1 62 62 VAL HA H 1 4.214 0.02 . 1 . . . . 62 VAL HA . 19252 1 674 . 1 1 62 62 VAL HB H 1 1.365 0.02 . 1 . . . . 62 VAL HB . 19252 1 675 . 1 1 62 62 VAL HG11 H 1 0.056 0.02 . 1 . . . . 62 VAL QG1 . 19252 1 676 . 1 1 62 62 VAL HG12 H 1 0.056 0.02 . 1 . . . . 62 VAL QG1 . 19252 1 677 . 1 1 62 62 VAL HG13 H 1 0.056 0.02 . 1 . . . . 62 VAL QG1 . 19252 1 678 . 1 1 62 62 VAL HG21 H 1 -0.073 0.02 . 1 . . . . 62 VAL QG2 . 19252 1 679 . 1 1 62 62 VAL HG22 H 1 -0.073 0.02 . 1 . . . . 62 VAL QG2 . 19252 1 680 . 1 1 62 62 VAL HG23 H 1 -0.073 0.02 . 1 . . . . 62 VAL QG2 . 19252 1 681 . 1 1 62 62 VAL CA C 13 61.261 0.2 . 1 . . . . 62 VAL CA . 19252 1 682 . 1 1 62 62 VAL CB C 13 34.004 0.2 . 1 . . . . 62 VAL CB . 19252 1 683 . 1 1 62 62 VAL CG1 C 13 19.929 0.2 . 2 . . . . 62 VAL CG1 . 19252 1 684 . 1 1 62 62 VAL CG2 C 13 20.491 0.2 . 2 . . . . 62 VAL CG2 . 19252 1 685 . 1 1 62 62 VAL N N 15 123.431 0.2 . 1 . . . . 62 VAL N . 19252 1 686 . 1 1 63 63 ASN H H 1 8.739 0.02 . 1 . . . . 63 ASN H . 19252 1 687 . 1 1 63 63 ASN HA H 1 5.405 0.02 . 1 . . . . 63 ASN HA . 19252 1 688 . 1 1 63 63 ASN HB2 H 1 2.735 0.02 . 2 . . . . 63 ASN HB2 . 19252 1 689 . 1 1 63 63 ASN HB3 H 1 2.619 0.02 . 2 . . . . 63 ASN HB3 . 19252 1 690 . 1 1 63 63 ASN HD21 H 1 7.093 0.02 . 2 . . . . 63 ASN HD21 . 19252 1 691 . 1 1 63 63 ASN HD22 H 1 6.805 0.02 . 2 . . . . 63 ASN HD22 . 19252 1 692 . 1 1 63 63 ASN CA C 13 51.879 0.2 . 1 . . . . 63 ASN CA . 19252 1 693 . 1 1 63 63 ASN CB C 13 41.433 0.2 . 1 . . . . 63 ASN CB . 19252 1 694 . 1 1 63 63 ASN N N 15 124.921 0.2 . 1 . . . . 63 ASN N . 19252 1 695 . 1 1 63 63 ASN ND2 N 15 110.233 0.2 . 1 . . . . 63 ASN ND2 . 19252 1 696 . 1 1 64 64 PHE H H 1 9.366 0.02 . 1 . . . . 64 PHE H . 19252 1 697 . 1 1 64 64 PHE N N 15 124.871 0.2 . 1 . . . . 64 PHE N . 19252 1 698 . 1 1 71 71 PRO HA H 1 4.337 0.02 . 1 . . . . 71 PRO HA . 19252 1 699 . 1 1 71 71 PRO CA C 13 65.335 0.2 . 1 . . . . 71 PRO CA . 19252 1 700 . 1 1 72 72 TYR H H 1 6.552 0.02 . 1 . . . . 72 TYR H . 19252 1 701 . 1 1 72 72 TYR HA H 1 4.417 0.02 . 1 . . . . 72 TYR HA . 19252 1 702 . 1 1 72 72 TYR HB2 H 1 3.224 0.02 . 2 . . . . 72 TYR HB2 . 19252 1 703 . 1 1 72 72 TYR HB3 H 1 2.899 0.02 . 2 . . . . 72 TYR HB3 . 19252 1 704 . 1 1 72 72 TYR HD1 H 1 7.193 0.02 . 3 . . . . 72 TYR QD . 19252 1 705 . 1 1 72 72 TYR HD2 H 1 7.193 0.02 . 3 . . . . 72 TYR QD . 19252 1 706 . 1 1 72 72 TYR HE1 H 1 6.84 0.02 . 3 . . . . 72 TYR QE . 19252 1 707 . 1 1 72 72 TYR HE2 H 1 6.84 0.02 . 3 . . . . 72 TYR QE . 19252 1 708 . 1 1 72 72 TYR CA C 13 60.059 0.2 . 1 . . . . 72 TYR CA . 19252 1 709 . 1 1 72 72 TYR CB C 13 38.417 0.2 . 1 . . . . 72 TYR CB . 19252 1 710 . 1 1 72 72 TYR CD1 C 13 132.685 0.2 . 3 . . . . 72 TYR CD1 . 19252 1 711 . 1 1 72 72 TYR CD2 C 13 132.685 0.2 . 3 . . . . 72 TYR CD2 . 19252 1 712 . 1 1 72 72 TYR CE1 C 13 118.006 0.2 . 3 . . . . 72 TYR CE1 . 19252 1 713 . 1 1 72 72 TYR CE2 C 13 118.006 0.2 . 3 . . . . 72 TYR CE2 . 19252 1 714 . 1 1 72 72 TYR N N 15 117.1 0.2 . 1 . . . . 72 TYR N . 19252 1 715 . 1 1 73 73 ALA H H 1 8.655 0.02 . 1 . . . . 73 ALA H . 19252 1 716 . 1 1 73 73 ALA HA H 1 3.689 0.02 . 1 . . . . 73 ALA HA . 19252 1 717 . 1 1 73 73 ALA HB1 H 1 1.585 0.02 . 1 . . . . 73 ALA QB . 19252 1 718 . 1 1 73 73 ALA HB2 H 1 1.585 0.02 . 1 . . . . 73 ALA QB . 19252 1 719 . 1 1 73 73 ALA HB3 H 1 1.585 0.02 . 1 . . . . 73 ALA QB . 19252 1 720 . 1 1 73 73 ALA CA C 13 55.419 0.2 . 1 . . . . 73 ALA CA . 19252 1 721 . 1 1 73 73 ALA CB C 13 19.298 0.2 . 1 . . . . 73 ALA CB . 19252 1 722 . 1 1 73 73 ALA N N 15 120.67 0.2 . 1 . . . . 73 ALA N . 19252 1 723 . 1 1 74 74 MET H H 1 7.871 0.02 . 1 . . . . 74 MET H . 19252 1 724 . 1 1 74 74 MET HA H 1 3.976 0.02 . 1 . . . . 74 MET HA . 19252 1 725 . 1 1 74 74 MET HB2 H 1 2.418 0.02 . 2 . . . . 74 MET HB2 . 19252 1 726 . 1 1 74 74 MET HB3 H 1 2.266 0.02 . 2 . . . . 74 MET HB3 . 19252 1 727 . 1 1 74 74 MET CA C 13 59.048 0.2 . 1 . . . . 74 MET CA . 19252 1 728 . 1 1 74 74 MET CB C 13 31.881 0.2 . 1 . . . . 74 MET CB . 19252 1 729 . 1 1 74 74 MET N N 15 114.988 0.2 . 1 . . . . 74 MET N . 19252 1 730 . 1 1 75 75 ASN H H 1 7.672 0.02 . 1 . . . . 75 ASN H . 19252 1 731 . 1 1 75 75 ASN HA H 1 4.461 0.02 . 1 . . . . 75 ASN HA . 19252 1 732 . 1 1 75 75 ASN HB2 H 1 2.861 0.02 . 2 . . . . 75 ASN HB2 . 19252 1 733 . 1 1 75 75 ASN HB3 H 1 2.783 0.02 . 2 . . . . 75 ASN HB3 . 19252 1 734 . 1 1 75 75 ASN HD21 H 1 7.637 0.02 . 2 . . . . 75 ASN HD21 . 19252 1 735 . 1 1 75 75 ASN HD22 H 1 7.012 0.02 . 2 . . . . 75 ASN HD22 . 19252 1 736 . 1 1 75 75 ASN CA C 13 55.695 0.2 . 1 . . . . 75 ASN CA . 19252 1 737 . 1 1 75 75 ASN CB C 13 38.867 0.2 . 1 . . . . 75 ASN CB . 19252 1 738 . 1 1 75 75 ASN N N 15 115.658 0.2 . 1 . . . . 75 ASN N . 19252 1 739 . 1 1 75 75 ASN ND2 N 15 113.196 0.2 . 1 . . . . 75 ASN ND2 . 19252 1 740 . 1 1 76 76 LEU H H 1 8.314 0.02 . 1 . . . . 76 LEU H . 19252 1 741 . 1 1 76 76 LEU HA H 1 4.093 0.02 . 1 . . . . 76 LEU HA . 19252 1 742 . 1 1 76 76 LEU HB2 H 1 1.329 0.02 . 2 . . . . 76 LEU HB2 . 19252 1 743 . 1 1 76 76 LEU HB3 H 1 1.17 0.02 . 2 . . . . 76 LEU HB3 . 19252 1 744 . 1 1 76 76 LEU HG H 1 1.28 0.02 . 1 . . . . 76 LEU HG . 19252 1 745 . 1 1 76 76 LEU HD11 H 1 0.702 0.02 . 1 . . . . 76 LEU QD1 . 19252 1 746 . 1 1 76 76 LEU HD12 H 1 0.702 0.02 . 1 . . . . 76 LEU QD1 . 19252 1 747 . 1 1 76 76 LEU HD13 H 1 0.702 0.02 . 1 . . . . 76 LEU QD1 . 19252 1 748 . 1 1 76 76 LEU HD21 H 1 0.609 0.02 . 1 . . . . 76 LEU QD2 . 19252 1 749 . 1 1 76 76 LEU HD22 H 1 0.609 0.02 . 1 . . . . 76 LEU QD2 . 19252 1 750 . 1 1 76 76 LEU HD23 H 1 0.609 0.02 . 1 . . . . 76 LEU QD2 . 19252 1 751 . 1 1 76 76 LEU CA C 13 57.186 0.2 . 1 . . . . 76 LEU CA . 19252 1 752 . 1 1 76 76 LEU CB C 13 44.334 0.2 . 1 . . . . 76 LEU CB . 19252 1 753 . 1 1 76 76 LEU CG C 13 26.489 0.2 . 1 . . . . 76 LEU CG . 19252 1 754 . 1 1 76 76 LEU CD1 C 13 23.035 0.2 . 2 . . . . 76 LEU CD1 . 19252 1 755 . 1 1 76 76 LEU CD2 C 13 24.451 0.2 . 2 . . . . 76 LEU CD2 . 19252 1 756 . 1 1 76 76 LEU N N 15 119.07 0.2 . 1 . . . . 76 LEU N . 19252 1 757 . 1 1 77 77 LEU HA H 1 4.46 0.02 . 1 . . . . 77 LEU HA . 19252 1 758 . 1 1 77 77 LEU HB2 H 1 1.587 0.02 . 2 . . . . 77 LEU HB2 . 19252 1 759 . 1 1 77 77 LEU HB3 H 1 1.184 0.02 . 2 . . . . 77 LEU HB3 . 19252 1 760 . 1 1 77 77 LEU HG H 1 1.226 0.02 . 1 . . . . 77 LEU HG . 19252 1 761 . 1 1 77 77 LEU HD11 H 1 0.559 0.02 . 1 . . . . 77 LEU QD1 . 19252 1 762 . 1 1 77 77 LEU HD12 H 1 0.559 0.02 . 1 . . . . 77 LEU QD1 . 19252 1 763 . 1 1 77 77 LEU HD13 H 1 0.559 0.02 . 1 . . . . 77 LEU QD1 . 19252 1 764 . 1 1 77 77 LEU HD21 H 1 0.152 0.02 . 1 . . . . 77 LEU QD2 . 19252 1 765 . 1 1 77 77 LEU HD22 H 1 0.152 0.02 . 1 . . . . 77 LEU QD2 . 19252 1 766 . 1 1 77 77 LEU HD23 H 1 0.152 0.02 . 1 . . . . 77 LEU QD2 . 19252 1 767 . 1 1 77 77 LEU CA C 13 54.368 0.2 . 1 . . . . 77 LEU CA . 19252 1 768 . 1 1 77 77 LEU CB C 13 43.182 0.2 . 1 . . . . 77 LEU CB . 19252 1 769 . 1 1 77 77 LEU CG C 13 26.892 0.2 . 1 . . . . 77 LEU CG . 19252 1 770 . 1 1 77 77 LEU CD1 C 13 22.855 0.2 . 2 . . . . 77 LEU CD1 . 19252 1 771 . 1 1 77 77 LEU CD2 C 13 25.667 0.2 . 2 . . . . 77 LEU CD2 . 19252 1 772 . 1 1 78 78 ASN H H 1 7.365 0.02 . 1 . . . . 78 ASN H . 19252 1 773 . 1 1 78 78 ASN HA H 1 4.344 0.02 . 1 . . . . 78 ASN HA . 19252 1 774 . 1 1 78 78 ASN HB2 H 1 3.287 0.02 . 2 . . . . 78 ASN HB2 . 19252 1 775 . 1 1 78 78 ASN HB3 H 1 2.92 0.02 . 2 . . . . 78 ASN HB3 . 19252 1 776 . 1 1 78 78 ASN HD21 H 1 7.77 0.02 . 2 . . . . 78 ASN HD21 . 19252 1 777 . 1 1 78 78 ASN HD22 H 1 7.02 0.02 . 2 . . . . 78 ASN HD22 . 19252 1 778 . 1 1 78 78 ASN CA C 13 55.572 0.2 . 1 . . . . 78 ASN CA . 19252 1 779 . 1 1 78 78 ASN CB C 13 37.867 0.2 . 1 . . . . 78 ASN CB . 19252 1 780 . 1 1 78 78 ASN N N 15 117.194 0.2 . 1 . . . . 78 ASN N . 19252 1 781 . 1 1 78 78 ASN ND2 N 15 112.751 0.2 . 1 . . . . 78 ASN ND2 . 19252 1 782 . 1 1 79 79 GLY H H 1 7.984 0.02 . 1 . . . . 79 GLY H . 19252 1 783 . 1 1 79 79 GLY HA2 H 1 4.188 0.02 . 2 . . . . 79 GLY HA2 . 19252 1 784 . 1 1 79 79 GLY HA3 H 1 3.803 0.02 . 2 . . . . 79 GLY HA3 . 19252 1 785 . 1 1 79 79 GLY CA C 13 45.708 0.2 . 1 . . . . 79 GLY CA . 19252 1 786 . 1 1 79 79 GLY N N 15 113.761 0.2 . 1 . . . . 79 GLY N . 19252 1 787 . 1 1 80 80 ILE H H 1 7.608 0.02 . 1 . . . . 80 ILE H . 19252 1 788 . 1 1 80 80 ILE HA H 1 4.014 0.02 . 1 . . . . 80 ILE HA . 19252 1 789 . 1 1 80 80 ILE HB H 1 1.877 0.02 . 1 . . . . 80 ILE HB . 19252 1 790 . 1 1 80 80 ILE HG12 H 1 1.49 0.02 . 2 . . . . 80 ILE HG12 . 19252 1 791 . 1 1 80 80 ILE HG13 H 1 1.338 0.02 . 2 . . . . 80 ILE HG13 . 19252 1 792 . 1 1 80 80 ILE HG21 H 1 0.86 0.02 . 1 . . . . 80 ILE QG2 . 19252 1 793 . 1 1 80 80 ILE HG22 H 1 0.86 0.02 . 1 . . . . 80 ILE QG2 . 19252 1 794 . 1 1 80 80 ILE HG23 H 1 0.86 0.02 . 1 . . . . 80 ILE QG2 . 19252 1 795 . 1 1 80 80 ILE HD11 H 1 0.825 0.02 . 1 . . . . 80 ILE QD1 . 19252 1 796 . 1 1 80 80 ILE HD12 H 1 0.825 0.02 . 1 . . . . 80 ILE QD1 . 19252 1 797 . 1 1 80 80 ILE HD13 H 1 0.825 0.02 . 1 . . . . 80 ILE QD1 . 19252 1 798 . 1 1 80 80 ILE CA C 13 61.916 0.2 . 1 . . . . 80 ILE CA . 19252 1 799 . 1 1 80 80 ILE CB C 13 37.786 0.2 . 1 . . . . 80 ILE CB . 19252 1 800 . 1 1 80 80 ILE CG1 C 13 28.422 0.2 . 1 . . . . 80 ILE CG1 . 19252 1 801 . 1 1 80 80 ILE CG2 C 13 17.494 0.2 . 1 . . . . 80 ILE CG2 . 19252 1 802 . 1 1 80 80 ILE CD1 C 13 13.826 0.2 . 1 . . . . 80 ILE CD1 . 19252 1 803 . 1 1 80 80 ILE N N 15 120.929 0.2 . 1 . . . . 80 ILE N . 19252 1 804 . 1 1 81 81 LYS H H 1 8.403 0.02 . 1 . . . . 81 LYS H . 19252 1 805 . 1 1 81 81 LYS HA H 1 4.373 0.02 . 1 . . . . 81 LYS HA . 19252 1 806 . 1 1 81 81 LYS HB2 H 1 1.755 0.02 . 2 . . . . 81 LYS HB2 . 19252 1 807 . 1 1 81 81 LYS HB3 H 1 1.13 0.02 . 2 . . . . 81 LYS HB3 . 19252 1 808 . 1 1 81 81 LYS HG2 H 1 1.535 0.02 . 2 . . . . 81 LYS HG2 . 19252 1 809 . 1 1 81 81 LYS HG3 H 1 0.796 0.02 . 2 . . . . 81 LYS HG3 . 19252 1 810 . 1 1 81 81 LYS HD2 H 1 1.618 0.02 . 2 . . . . 81 LYS HD2 . 19252 1 811 . 1 1 81 81 LYS HD3 H 1 1.575 0.02 . 2 . . . . 81 LYS HD3 . 19252 1 812 . 1 1 81 81 LYS HE2 H 1 2.956 0.02 . 2 . . . . 81 LYS HE2 . 19252 1 813 . 1 1 81 81 LYS HE3 H 1 2.915 0.02 . 2 . . . . 81 LYS HE3 . 19252 1 814 . 1 1 81 81 LYS CA C 13 56.191 0.2 . 1 . . . . 81 LYS CA . 19252 1 815 . 1 1 81 81 LYS CB C 13 33.566 0.2 . 1 . . . . 81 LYS CB . 19252 1 816 . 1 1 81 81 LYS CG C 13 26.421 0.2 . 1 . . . . 81 LYS CG . 19252 1 817 . 1 1 81 81 LYS CD C 13 29.444 0.2 . 1 . . . . 81 LYS CD . 19252 1 818 . 1 1 81 81 LYS CE C 13 41.782 0.2 . 1 . . . . 81 LYS CE . 19252 1 819 . 1 1 81 81 LYS N N 15 123.78 0.2 . 1 . . . . 81 LYS N . 19252 1 820 . 1 1 82 82 LEU H H 1 8.005 0.02 . 1 . . . . 82 LEU H . 19252 1 821 . 1 1 82 82 LEU N N 15 123.379 0.2 . 1 . . . . 82 LEU N . 19252 1 822 . 1 1 83 83 TYR HA H 1 4.017 0.02 . 1 . . . . 83 TYR HA . 19252 1 823 . 1 1 83 83 TYR HB2 H 1 3.217 0.02 . 2 . . . . 83 TYR HB2 . 19252 1 824 . 1 1 83 83 TYR HB3 H 1 2.866 0.02 . 2 . . . . 83 TYR HB3 . 19252 1 825 . 1 1 83 83 TYR HD1 H 1 6.931 0.02 . 3 . . . . 83 TYR QD . 19252 1 826 . 1 1 83 83 TYR HD2 H 1 6.931 0.02 . 3 . . . . 83 TYR QD . 19252 1 827 . 1 1 83 83 TYR HE1 H 1 6.679 0.02 . 3 . . . . 83 TYR QE . 19252 1 828 . 1 1 83 83 TYR HE2 H 1 6.679 0.02 . 3 . . . . 83 TYR QE . 19252 1 829 . 1 1 83 83 TYR CA C 13 59.067 0.2 . 1 . . . . 83 TYR CA . 19252 1 830 . 1 1 83 83 TYR CB C 13 35.388 0.2 . 1 . . . . 83 TYR CB . 19252 1 831 . 1 1 83 83 TYR CD1 C 13 132.888 0.2 . 3 . . . . 83 TYR CD1 . 19252 1 832 . 1 1 83 83 TYR CD2 C 13 132.888 0.2 . 3 . . . . 83 TYR CD2 . 19252 1 833 . 1 1 83 83 TYR CE1 C 13 117.939 0.2 . 3 . . . . 83 TYR CE1 . 19252 1 834 . 1 1 83 83 TYR CE2 C 13 117.939 0.2 . 3 . . . . 83 TYR CE2 . 19252 1 835 . 1 1 84 84 GLY H H 1 8.529 0.02 . 1 . . . . 84 GLY H . 19252 1 836 . 1 1 84 84 GLY HA2 H 1 4.255 0.02 . 2 . . . . 84 GLY HA2 . 19252 1 837 . 1 1 84 84 GLY HA3 H 1 3.571 0.02 . 2 . . . . 84 GLY HA3 . 19252 1 838 . 1 1 84 84 GLY CA C 13 45.257 0.2 . 1 . . . . 84 GLY CA . 19252 1 839 . 1 1 84 84 GLY N N 15 101.91 0.2 . 1 . . . . 84 GLY N . 19252 1 840 . 1 1 85 85 ARG H H 1 7.702 0.02 . 1 . . . . 85 ARG H . 19252 1 841 . 1 1 85 85 ARG HA H 1 5.097 0.02 . 1 . . . . 85 ARG HA . 19252 1 842 . 1 1 85 85 ARG HB2 H 1 2.082 0.02 . 2 . . . . 85 ARG HB2 . 19252 1 843 . 1 1 85 85 ARG HB3 H 1 1.859 0.02 . 2 . . . . 85 ARG HB3 . 19252 1 844 . 1 1 85 85 ARG HG2 H 1 1.692 0.02 . 2 . . . . 85 ARG QG . 19252 1 845 . 1 1 85 85 ARG HG3 H 1 1.692 0.02 . 2 . . . . 85 ARG QG . 19252 1 846 . 1 1 85 85 ARG HD2 H 1 3.051 0.02 . 2 . . . . 85 ARG HD2 . 19252 1 847 . 1 1 85 85 ARG HD3 H 1 3 0.02 . 2 . . . . 85 ARG HD3 . 19252 1 848 . 1 1 85 85 ARG CA C 13 52.822 0.2 . 1 . . . . 85 ARG CA . 19252 1 849 . 1 1 85 85 ARG CB C 13 33.098 0.2 . 1 . . . . 85 ARG CB . 19252 1 850 . 1 1 85 85 ARG CG C 13 27.279 0.2 . 1 . . . . 85 ARG CG . 19252 1 851 . 1 1 85 85 ARG CD C 13 43.633 0.2 . 1 . . . . 85 ARG CD . 19252 1 852 . 1 1 85 85 ARG N N 15 122.603 0.2 . 1 . . . . 85 ARG N . 19252 1 853 . 1 1 86 86 PRO HA H 1 4.574 0.02 . 1 . . . . 86 PRO HA . 19252 1 854 . 1 1 86 86 PRO HB2 H 1 2.046 0.02 . 2 . . . . 86 PRO HB2 . 19252 1 855 . 1 1 86 86 PRO HB3 H 1 1.887 0.02 . 2 . . . . 86 PRO HB3 . 19252 1 856 . 1 1 86 86 PRO HG2 H 1 2.241 0.02 . 2 . . . . 86 PRO HG2 . 19252 1 857 . 1 1 86 86 PRO HG3 H 1 2.075 0.02 . 2 . . . . 86 PRO HG3 . 19252 1 858 . 1 1 86 86 PRO HD2 H 1 3.89 0.02 . 2 . . . . 86 PRO HD2 . 19252 1 859 . 1 1 86 86 PRO HD3 H 1 3.782 0.02 . 2 . . . . 86 PRO HD3 . 19252 1 860 . 1 1 86 86 PRO CA C 13 61.715 0.2 . 1 . . . . 86 PRO CA . 19252 1 861 . 1 1 86 86 PRO CB C 13 31.935 0.2 . 1 . . . . 86 PRO CB . 19252 1 862 . 1 1 86 86 PRO CG C 13 27.454 0.2 . 1 . . . . 86 PRO CG . 19252 1 863 . 1 1 86 86 PRO CD C 13 51.382 0.2 . 1 . . . . 86 PRO CD . 19252 1 864 . 1 1 87 87 ILE H H 1 8.704 0.02 . 1 . . . . 87 ILE H . 19252 1 865 . 1 1 87 87 ILE HA H 1 4.604 0.02 . 1 . . . . 87 ILE HA . 19252 1 866 . 1 1 87 87 ILE HB H 1 1.951 0.02 . 1 . . . . 87 ILE HB . 19252 1 867 . 1 1 87 87 ILE HG12 H 1 1.517 0.02 . 2 . . . . 87 ILE HG12 . 19252 1 868 . 1 1 87 87 ILE HG13 H 1 1.824 0.02 . 2 . . . . 87 ILE HG13 . 19252 1 869 . 1 1 87 87 ILE HG21 H 1 1.071 0.02 . 1 . . . . 87 ILE QG2 . 19252 1 870 . 1 1 87 87 ILE HG22 H 1 1.071 0.02 . 1 . . . . 87 ILE QG2 . 19252 1 871 . 1 1 87 87 ILE HG23 H 1 1.071 0.02 . 1 . . . . 87 ILE QG2 . 19252 1 872 . 1 1 87 87 ILE HD11 H 1 0.879 0.02 . 1 . . . . 87 ILE QD1 . 19252 1 873 . 1 1 87 87 ILE HD12 H 1 0.879 0.02 . 1 . . . . 87 ILE QD1 . 19252 1 874 . 1 1 87 87 ILE HD13 H 1 0.879 0.02 . 1 . . . . 87 ILE QD1 . 19252 1 875 . 1 1 87 87 ILE CA C 13 62.152 0.2 . 1 . . . . 87 ILE CA . 19252 1 876 . 1 1 87 87 ILE CB C 13 38.662 0.2 . 1 . . . . 87 ILE CB . 19252 1 877 . 1 1 87 87 ILE CG1 C 13 25.368 0.2 . 1 . . . . 87 ILE CG1 . 19252 1 878 . 1 1 87 87 ILE CG2 C 13 18.322 0.2 . 1 . . . . 87 ILE CG2 . 19252 1 879 . 1 1 87 87 ILE CD1 C 13 14.03 0.2 . 1 . . . . 87 ILE CD1 . 19252 1 880 . 1 1 87 87 ILE N N 15 121.38 0.2 . 1 . . . . 87 ILE N . 19252 1 881 . 1 1 88 88 LYS H H 1 7.937 0.02 . 1 . . . . 88 LYS H . 19252 1 882 . 1 1 88 88 LYS HA H 1 4.953 0.02 . 1 . . . . 88 LYS HA . 19252 1 883 . 1 1 88 88 LYS HB2 H 1 1.763 0.02 . 2 . . . . 88 LYS HB2 . 19252 1 884 . 1 1 88 88 LYS HB3 H 1 1.636 0.02 . 2 . . . . 88 LYS HB3 . 19252 1 885 . 1 1 88 88 LYS HG2 H 1 1.456 0.02 . 2 . . . . 88 LYS HG2 . 19252 1 886 . 1 1 88 88 LYS HG3 H 1 1.325 0.02 . 2 . . . . 88 LYS HG3 . 19252 1 887 . 1 1 88 88 LYS HD2 H 1 1.723 0.02 . 2 . . . . 88 LYS QD . 19252 1 888 . 1 1 88 88 LYS HD3 H 1 1.723 0.02 . 2 . . . . 88 LYS QD . 19252 1 889 . 1 1 88 88 LYS HE2 H 1 2.957 0.02 . 2 . . . . 88 LYS QE . 19252 1 890 . 1 1 88 88 LYS HE3 H 1 2.957 0.02 . 2 . . . . 88 LYS QE . 19252 1 891 . 1 1 88 88 LYS CA C 13 54.448 0.2 . 1 . . . . 88 LYS CA . 19252 1 892 . 1 1 88 88 LYS CB C 13 34.341 0.2 . 1 . . . . 88 LYS CB . 19252 1 893 . 1 1 88 88 LYS CG C 13 25.037 0.2 . 1 . . . . 88 LYS CG . 19252 1 894 . 1 1 88 88 LYS CD C 13 29.24 0.2 . 1 . . . . 88 LYS CD . 19252 1 895 . 1 1 88 88 LYS CE C 13 41.92 0.2 . 1 . . . . 88 LYS CE . 19252 1 896 . 1 1 88 88 LYS N N 15 123.494 0.2 . 1 . . . . 88 LYS N . 19252 1 897 . 1 1 89 89 ILE H H 1 8.854 0.02 . 1 . . . . 89 ILE H . 19252 1 898 . 1 1 89 89 ILE HA H 1 5.085 0.02 . 1 . . . . 89 ILE HA . 19252 1 899 . 1 1 89 89 ILE HB H 1 1.692 0.02 . 1 . . . . 89 ILE HB . 19252 1 900 . 1 1 89 89 ILE HG12 H 1 1.938 0.02 . 1 . . . . 89 ILE QG1 . 19252 1 901 . 1 1 89 89 ILE HG13 H 1 1.938 0.02 . 1 . . . . 89 ILE QG1 . 19252 1 902 . 1 1 89 89 ILE HG21 H 1 1.014 0.02 . 1 . . . . 89 ILE QG2 . 19252 1 903 . 1 1 89 89 ILE HG22 H 1 1.014 0.02 . 1 . . . . 89 ILE QG2 . 19252 1 904 . 1 1 89 89 ILE HG23 H 1 1.014 0.02 . 1 . . . . 89 ILE QG2 . 19252 1 905 . 1 1 89 89 ILE HD11 H 1 0.969 0.02 . 1 . . . . 89 ILE QD1 . 19252 1 906 . 1 1 89 89 ILE HD12 H 1 0.969 0.02 . 1 . . . . 89 ILE QD1 . 19252 1 907 . 1 1 89 89 ILE HD13 H 1 0.969 0.02 . 1 . . . . 89 ILE QD1 . 19252 1 908 . 1 1 89 89 ILE CA C 13 60.925 0.2 . 1 . . . . 89 ILE CA . 19252 1 909 . 1 1 89 89 ILE CB C 13 39.108 0.2 . 1 . . . . 89 ILE CB . 19252 1 910 . 1 1 89 89 ILE CG1 C 13 29.06 0.2 . 1 . . . . 89 ILE CG1 . 19252 1 911 . 1 1 89 89 ILE CG2 C 13 20.703 0.2 . 1 . . . . 89 ILE CG2 . 19252 1 912 . 1 1 89 89 ILE CD1 C 13 14.959 0.2 . 1 . . . . 89 ILE CD1 . 19252 1 913 . 1 1 89 89 ILE N N 15 127.611 0.2 . 1 . . . . 89 ILE N . 19252 1 914 . 1 1 90 90 GLN H H 1 9.485 0.02 . 1 . . . . 90 GLN H . 19252 1 915 . 1 1 90 90 GLN HA H 1 4.747 0.02 . 1 . . . . 90 GLN HA . 19252 1 916 . 1 1 90 90 GLN HB2 H 1 1.869 0.02 . 2 . . . . 90 GLN QB . 19252 1 917 . 1 1 90 90 GLN HB3 H 1 1.869 0.02 . 2 . . . . 90 GLN QB . 19252 1 918 . 1 1 90 90 GLN HG2 H 1 2.369 0.02 . 2 . . . . 90 GLN HG2 . 19252 1 919 . 1 1 90 90 GLN HG3 H 1 2.225 0.02 . 2 . . . . 90 GLN HG3 . 19252 1 920 . 1 1 90 90 GLN HE21 H 1 7.45 0.02 . 2 . . . . 90 GLN HE21 . 19252 1 921 . 1 1 90 90 GLN HE22 H 1 6.768 0.02 . 2 . . . . 90 GLN HE22 . 19252 1 922 . 1 1 90 90 GLN CA C 13 54.322 0.2 . 1 . . . . 90 GLN CA . 19252 1 923 . 1 1 90 90 GLN CB C 13 33.776 0.2 . 1 . . . . 90 GLN CB . 19252 1 924 . 1 1 90 90 GLN CG C 13 34.197 0.2 . 1 . . . . 90 GLN CG . 19252 1 925 . 1 1 90 90 GLN N N 15 124.381 0.2 . 1 . . . . 90 GLN N . 19252 1 926 . 1 1 90 90 GLN NE2 N 15 111.673 0.2 . 1 . . . . 90 GLN NE2 . 19252 1 927 . 1 1 91 91 PHE H H 1 8.68 0.02 . 1 . . . . 91 PHE H . 19252 1 928 . 1 1 91 91 PHE HA H 1 4.645 0.02 . 1 . . . . 91 PHE HA . 19252 1 929 . 1 1 91 91 PHE HB2 H 1 3.142 0.02 . 2 . . . . 91 PHE HB2 . 19252 1 930 . 1 1 91 91 PHE HB3 H 1 3.054 0.02 . 2 . . . . 91 PHE HB3 . 19252 1 931 . 1 1 91 91 PHE CA C 13 57.696 0.2 . 1 . . . . 91 PHE CA . 19252 1 932 . 1 1 91 91 PHE CB C 13 39.457 0.2 . 1 . . . . 91 PHE CB . 19252 1 933 . 1 1 91 91 PHE N N 15 121.091 0.2 . 1 . . . . 91 PHE N . 19252 1 934 . 1 1 94 94 GLY HA2 H 1 4.001 0.02 . 2 . . . . 94 GLY HA2 . 19252 1 935 . 1 1 94 94 GLY HA3 H 1 3.861 0.02 . 2 . . . . 94 GLY HA3 . 19252 1 936 . 1 1 94 94 GLY CA C 13 45.24 0.2 . 1 . . . . 94 GLY CA . 19252 1 937 . 1 1 95 95 SER H H 1 8.048 0.02 . 1 . . . . 95 SER H . 19252 1 938 . 1 1 95 95 SER HA H 1 4.018 0.02 . 1 . . . . 95 SER HA . 19252 1 939 . 1 1 95 95 SER HB2 H 1 4.023 0.02 . 2 . . . . 95 SER QB . 19252 1 940 . 1 1 95 95 SER HB3 H 1 4.023 0.02 . 2 . . . . 95 SER QB . 19252 1 941 . 1 1 95 95 SER CA C 13 57.341 0.2 . 1 . . . . 95 SER CA . 19252 1 942 . 1 1 95 95 SER CB C 13 64.102 0.2 . 1 . . . . 95 SER CB . 19252 1 943 . 1 1 95 95 SER N N 15 114.823 0.2 . 1 . . . . 95 SER N . 19252 1 944 . 1 1 98 98 ALA HA H 1 4.525 0.02 . 1 . . . . 98 ALA HA . 19252 1 945 . 1 1 98 98 ALA HB1 H 1 1.317 0.02 . 1 . . . . 98 ALA QB . 19252 1 946 . 1 1 98 98 ALA HB2 H 1 1.317 0.02 . 1 . . . . 98 ALA QB . 19252 1 947 . 1 1 98 98 ALA HB3 H 1 1.317 0.02 . 1 . . . . 98 ALA QB . 19252 1 948 . 1 1 98 98 ALA CA C 13 50.298 0.2 . 1 . . . . 98 ALA CA . 19252 1 949 . 1 1 98 98 ALA CB C 13 18.359 0.2 . 1 . . . . 98 ALA CB . 19252 1 950 . 1 1 99 99 PRO HA H 1 4.407 0.02 . 1 . . . . 99 PRO HA . 19252 1 951 . 1 1 99 99 PRO HB2 H 1 2.274 0.02 . 2 . . . . 99 PRO HB2 . 19252 1 952 . 1 1 99 99 PRO HB3 H 1 1.944 0.02 . 2 . . . . 99 PRO HB3 . 19252 1 953 . 1 1 99 99 PRO HG2 H 1 2.035 0.02 . 2 . . . . 99 PRO HG2 . 19252 1 954 . 1 1 99 99 PRO HG3 H 1 1.978 0.02 . 2 . . . . 99 PRO HG3 . 19252 1 955 . 1 1 99 99 PRO HD2 H 1 3.7 0.02 . 2 . . . . 99 PRO HD2 . 19252 1 956 . 1 1 99 99 PRO HD3 H 1 3.603 0.02 . 2 . . . . 99 PRO HD3 . 19252 1 957 . 1 1 99 99 PRO CA C 13 63.189 0.2 . 1 . . . . 99 PRO CA . 19252 1 958 . 1 1 99 99 PRO CB C 13 32.066 0.2 . 1 . . . . 99 PRO CB . 19252 1 959 . 1 1 99 99 PRO CG C 13 27.448 0.2 . 1 . . . . 99 PRO CG . 19252 1 960 . 1 1 99 99 PRO CD C 13 50.41 0.2 . 1 . . . . 99 PRO CD . 19252 1 961 . 1 1 100 100 GLN H H 1 8.551 0.02 . 1 . . . . 100 GLN H . 19252 1 962 . 1 1 100 100 GLN HA H 1 4.342 0.02 . 1 . . . . 100 GLN HA . 19252 1 963 . 1 1 100 100 GLN HB2 H 1 2.144 0.02 . 2 . . . . 100 GLN HB2 . 19252 1 964 . 1 1 100 100 GLN HB3 H 1 1.944 0.02 . 2 . . . . 100 GLN HB3 . 19252 1 965 . 1 1 100 100 GLN HG2 H 1 2.369 0.02 . 2 . . . . 100 GLN QG . 19252 1 966 . 1 1 100 100 GLN HG3 H 1 2.369 0.02 . 2 . . . . 100 GLN QG . 19252 1 967 . 1 1 100 100 GLN HE21 H 1 7.637 0.02 . 2 . . . . 100 GLN HE21 . 19252 1 968 . 1 1 100 100 GLN HE22 H 1 6.868 0.02 . 2 . . . . 100 GLN HE22 . 19252 1 969 . 1 1 100 100 GLN CA C 13 55.418 0.2 . 1 . . . . 100 GLN CA . 19252 1 970 . 1 1 100 100 GLN CB C 13 29.837 0.2 . 1 . . . . 100 GLN CB . 19252 1 971 . 1 1 100 100 GLN CG C 13 33.762 0.2 . 1 . . . . 100 GLN CG . 19252 1 972 . 1 1 100 100 GLN N N 15 121.06 0.2 . 1 . . . . 100 GLN N . 19252 1 973 . 1 1 100 100 GLN NE2 N 15 113.198 0.2 . 1 . . . . 100 GLN NE2 . 19252 1 974 . 1 1 101 101 ASP H H 1 8.023 0.02 . 1 . . . . 101 ASP H . 19252 1 975 . 1 1 101 101 ASP HA H 1 4.376 0.02 . 1 . . . . 101 ASP HA . 19252 1 976 . 1 1 101 101 ASP HB2 H 1 2.659 0.02 . 2 . . . . 101 ASP HB2 . 19252 1 977 . 1 1 101 101 ASP HB3 H 1 2.561 0.02 . 2 . . . . 101 ASP HB3 . 19252 1 978 . 1 1 101 101 ASP CA C 13 55.799 0.2 . 1 . . . . 101 ASP CA . 19252 1 979 . 1 1 101 101 ASP CB C 13 42.243 0.2 . 1 . . . . 101 ASP CB . 19252 1 980 . 1 1 101 101 ASP N N 15 127.408 0.2 . 1 . . . . 101 ASP N . 19252 1 stop_ save_