data_10105 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10105 _Entry.Title ; Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-13 _Entry.Last_release_date 2008-08-15 _Entry.Original_release_date 2008-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Yoneyama . . . 10105 2 N. Tochio . . . 10105 3 S. Koshiba . . . 10105 4 M. Inoue . . . 10105 5 T. Kigawa . . . 10105 6 S. Yokoyama . . . 10105 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10105 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10105 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 10105 '15N chemical shifts' 79 10105 '1H chemical shifts' 602 10105 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 . . 2008-08-15 2007-02-13 original author . 10105 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V31 'BMRB Entry Tracking System' 10105 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10105 _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 ; Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 M. Yoneyama . . . 10105 1 2 N. Tochio . . . 10105 1 3 S. Koshiba . . . 10105 1 4 M. Inoue . . . 10105 1 5 T. Kigawa . . . 10105 1 6 S. Yokoyama . . . 10105 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10105 _Assembly.ID 1 _Assembly.Name 'hypothetical protein RAFL11-05-P19' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10105 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hypothetical protein RAFL11-05-P19' 1 $entity_1 . . yes native no no . . . 10105 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1V31 . . . . . . 10105 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10105 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SWIB/MDM2 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVPEKFKLSTALMD VLGIEVETRPRIIAAIWHYV KARKLQNPNDPSFFNCDAAL QKVFGEEKLKFTMVSQKISH HLSPPPPSGPSSG ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1V31 . "Solution Structure Of The SwibMDM2 DOMAIN OF THE Hypothetical Protein At5g14170 From Arabidopsis Thaliana" . . . . . 100.00 93 100.00 100.00 1.45e-60 . . . . 10105 1 2 no DBJ BAB08296 . "unnamed protein product [Arabidopsis thaliana]" . . . . . 86.02 534 100.00 100.00 1.06e-47 . . . . 10105 1 3 no GB AAL38282 . "unknown protein [Arabidopsis thaliana]" . . . . . 86.02 534 100.00 100.00 1.06e-47 . . . . 10105 1 4 no GB AAP68331 . "At5g14170 [Arabidopsis thaliana]" . . . . . 86.02 534 100.00 100.00 1.06e-47 . . . . 10105 1 5 no GB ADG39042 . "AT5G14170-like protein, partial [Capsella grandiflora]" . . . . . 86.02 172 100.00 100.00 5.14e-51 . . . . 10105 1 6 no GB ADG39043 . "AT5G14170-like protein, partial [Capsella grandiflora]" . . . . . 86.02 172 100.00 100.00 5.14e-51 . . . . 10105 1 7 no GB ADG39044 . "AT5G14170-like protein, partial [Capsella grandiflora]" . . . . . 86.02 172 100.00 100.00 4.97e-51 . . . . 10105 1 8 no REF NP_196921 . "chromodomain remodeling complex protein CHC1 [Arabidopsis thaliana]" . . . . . 86.02 534 100.00 100.00 1.06e-47 . . . . 10105 1 9 no REF XP_002873653 . "SWIB complex BAF60b domain-containing protein [Arabidopsis lyrata subsp. lyrata]" . . . . . 86.02 534 100.00 100.00 9.63e-48 . . . . 10105 1 10 no REF XP_006287459 . "hypothetical protein CARUB_v10000669mg [Capsella rubella]" . . . . . 86.02 536 100.00 100.00 1.05e-47 . . . . 10105 1 11 no REF XP_006287460 . "hypothetical protein CARUB_v10000669mg [Capsella rubella]" . . . . . 86.02 536 100.00 100.00 1.05e-47 . . . . 10105 1 12 no REF XP_006287461 . "hypothetical protein CARUB_v10000669mg [Capsella rubella]" . . . . . 86.02 536 100.00 100.00 1.05e-47 . . . . 10105 1 13 no SP Q9FMT4 . "RecName: Full=SWI/SNF complex component SNF12 homolog" . . . . . 86.02 534 100.00 100.00 1.06e-47 . . . . 10105 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SWIB/MDM2 domain' . 10105 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 . 10105 1 2 . SER . 10105 1 3 . SER . 10105 1 4 . GLY . 10105 1 5 . SER . 10105 1 6 . SER . 10105 1 7 . GLY . 10105 1 8 . VAL . 10105 1 9 . PRO . 10105 1 10 . GLU . 10105 1 11 . LYS . 10105 1 12 . PHE . 10105 1 13 . LYS . 10105 1 14 . LEU . 10105 1 15 . SER . 10105 1 16 . THR . 10105 1 17 . ALA . 10105 1 18 . LEU . 10105 1 19 . MET . 10105 1 20 . ASP . 10105 1 21 . VAL . 10105 1 22 . LEU . 10105 1 23 . GLY . 10105 1 24 . ILE . 10105 1 25 . GLU . 10105 1 26 . VAL . 10105 1 27 . GLU . 10105 1 28 . THR . 10105 1 29 . ARG . 10105 1 30 . PRO . 10105 1 31 . ARG . 10105 1 32 . ILE . 10105 1 33 . ILE . 10105 1 34 . ALA . 10105 1 35 . ALA . 10105 1 36 . ILE . 10105 1 37 . TRP . 10105 1 38 . HIS . 10105 1 39 . TYR . 10105 1 40 . VAL . 10105 1 41 . LYS . 10105 1 42 . ALA . 10105 1 43 . ARG . 10105 1 44 . LYS . 10105 1 45 . LEU . 10105 1 46 . GLN . 10105 1 47 . ASN . 10105 1 48 . PRO . 10105 1 49 . ASN . 10105 1 50 . ASP . 10105 1 51 . PRO . 10105 1 52 . SER . 10105 1 53 . PHE . 10105 1 54 . PHE . 10105 1 55 . ASN . 10105 1 56 . CYS . 10105 1 57 . ASP . 10105 1 58 . ALA . 10105 1 59 . ALA . 10105 1 60 . LEU . 10105 1 61 . GLN . 10105 1 62 . LYS . 10105 1 63 . VAL . 10105 1 64 . PHE . 10105 1 65 . GLY . 10105 1 66 . GLU . 10105 1 67 . GLU . 10105 1 68 . LYS . 10105 1 69 . LEU . 10105 1 70 . LYS . 10105 1 71 . PHE . 10105 1 72 . THR . 10105 1 73 . MET . 10105 1 74 . VAL . 10105 1 75 . SER . 10105 1 76 . GLN . 10105 1 77 . LYS . 10105 1 78 . ILE . 10105 1 79 . SER . 10105 1 80 . HIS . 10105 1 81 . HIS . 10105 1 82 . LEU . 10105 1 83 . SER . 10105 1 84 . PRO . 10105 1 85 . PRO . 10105 1 86 . PRO . 10105 1 87 . PRO . 10105 1 88 . SER . 10105 1 89 . GLY . 10105 1 90 . PRO . 10105 1 91 . SER . 10105 1 92 . SER . 10105 1 93 . GLY . 10105 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 10105 1 . SER 2 2 10105 1 . SER 3 3 10105 1 . GLY 4 4 10105 1 . SER 5 5 10105 1 . SER 6 6 10105 1 . GLY 7 7 10105 1 . VAL 8 8 10105 1 . PRO 9 9 10105 1 . GLU 10 10 10105 1 . LYS 11 11 10105 1 . PHE 12 12 10105 1 . LYS 13 13 10105 1 . LEU 14 14 10105 1 . SER 15 15 10105 1 . THR 16 16 10105 1 . ALA 17 17 10105 1 . LEU 18 18 10105 1 . MET 19 19 10105 1 . ASP 20 20 10105 1 . VAL 21 21 10105 1 . LEU 22 22 10105 1 . GLY 23 23 10105 1 . ILE 24 24 10105 1 . GLU 25 25 10105 1 . VAL 26 26 10105 1 . GLU 27 27 10105 1 . THR 28 28 10105 1 . ARG 29 29 10105 1 . PRO 30 30 10105 1 . ARG 31 31 10105 1 . ILE 32 32 10105 1 . ILE 33 33 10105 1 . ALA 34 34 10105 1 . ALA 35 35 10105 1 . ILE 36 36 10105 1 . TRP 37 37 10105 1 . HIS 38 38 10105 1 . TYR 39 39 10105 1 . VAL 40 40 10105 1 . LYS 41 41 10105 1 . ALA 42 42 10105 1 . ARG 43 43 10105 1 . LYS 44 44 10105 1 . LEU 45 45 10105 1 . GLN 46 46 10105 1 . ASN 47 47 10105 1 . PRO 48 48 10105 1 . ASN 49 49 10105 1 . ASP 50 50 10105 1 . PRO 51 51 10105 1 . SER 52 52 10105 1 . PHE 53 53 10105 1 . PHE 54 54 10105 1 . ASN 55 55 10105 1 . CYS 56 56 10105 1 . ASP 57 57 10105 1 . ALA 58 58 10105 1 . ALA 59 59 10105 1 . LEU 60 60 10105 1 . GLN 61 61 10105 1 . LYS 62 62 10105 1 . VAL 63 63 10105 1 . PHE 64 64 10105 1 . GLY 65 65 10105 1 . GLU 66 66 10105 1 . GLU 67 67 10105 1 . LYS 68 68 10105 1 . LEU 69 69 10105 1 . LYS 70 70 10105 1 . PHE 71 71 10105 1 . THR 72 72 10105 1 . MET 73 73 10105 1 . VAL 74 74 10105 1 . SER 75 75 10105 1 . GLN 76 76 10105 1 . LYS 77 77 10105 1 . ILE 78 78 10105 1 . SER 79 79 10105 1 . HIS 80 80 10105 1 . HIS 81 81 10105 1 . LEU 82 82 10105 1 . SER 83 83 10105 1 . PRO 84 84 10105 1 . PRO 85 85 10105 1 . PRO 86 86 10105 1 . PRO 87 87 10105 1 . SER 88 88 10105 1 . GLY 89 89 10105 1 . PRO 90 90 10105 1 . SER 91 91 10105 1 . SER 92 92 10105 1 . GLY 93 93 10105 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 10105 _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 $entity_1 . 3702 . . . 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 10105 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 10105 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P030128-19 . . . . . . 10105 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10105 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SWIB/MDM2 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 10105 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10105 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10105 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10105 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10105 1 6 H2O . . . . . . solvent 90 . . % . . . . 10105 1 7 D2O . . . . . . solvent 10 . . % . . . . 10105 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10105 _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' 120 0.1 mM 10105 1 pH 6.0 0.05 pH 10105 1 pressure 1 0.001 atm 10105 1 temperature 298 0.1 K 10105 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10105 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10105 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10105 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10105 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio, F.' . . 10105 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10105 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10105 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jhonson, B.A.' . . 10105 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10105 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10105 _Software.ID 4 _Software.Name Kujira _Software.Version 0.815 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10105 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10105 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10105 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10105 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10105 5 'structure solution' 10105 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10105 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10105 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10105 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10105 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10105 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10105 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10105 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10105 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10105 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10105 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10105 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10105 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10105 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 7 7 GLY HA2 H 1 3.989 0.030 . 1 . . . . 7 GLY HA2 . 10105 1 2 . 1 1 7 7 GLY HA3 H 1 3.989 0.030 . 1 . . . . 7 GLY HA3 . 10105 1 3 . 1 1 7 7 GLY C C 13 173.793 0.300 . 1 . . . . 7 GLY C . 10105 1 4 . 1 1 7 7 GLY CA C 13 45.228 0.300 . 1 . . . . 7 GLY CA . 10105 1 5 . 1 1 8 8 VAL H H 1 7.997 0.030 . 1 . . . . 8 VAL H . 10105 1 6 . 1 1 8 8 VAL HA H 1 4.450 0.030 . 1 . . . . 8 VAL HA . 10105 1 7 . 1 1 8 8 VAL HB H 1 2.084 0.030 . 1 . . . . 8 VAL HB . 10105 1 8 . 1 1 8 8 VAL HG11 H 1 0.934 0.030 . 1 . . . . 8 VAL HG1 . 10105 1 9 . 1 1 8 8 VAL HG12 H 1 0.934 0.030 . 1 . . . . 8 VAL HG1 . 10105 1 10 . 1 1 8 8 VAL HG13 H 1 0.934 0.030 . 1 . . . . 8 VAL HG1 . 10105 1 11 . 1 1 8 8 VAL HG21 H 1 0.982 0.030 . 1 . . . . 8 VAL HG2 . 10105 1 12 . 1 1 8 8 VAL HG22 H 1 0.982 0.030 . 1 . . . . 8 VAL HG2 . 10105 1 13 . 1 1 8 8 VAL HG23 H 1 0.982 0.030 . 1 . . . . 8 VAL HG2 . 10105 1 14 . 1 1 8 8 VAL C C 13 174.549 0.300 . 1 . . . . 8 VAL C . 10105 1 15 . 1 1 8 8 VAL CA C 13 59.895 0.300 . 1 . . . . 8 VAL CA . 10105 1 16 . 1 1 8 8 VAL CB C 13 32.629 0.300 . 1 . . . . 8 VAL CB . 10105 1 17 . 1 1 8 8 VAL CG1 C 13 20.300 0.300 . 2 . . . . 8 VAL CG1 . 10105 1 18 . 1 1 8 8 VAL CG2 C 13 21.070 0.300 . 2 . . . . 8 VAL CG2 . 10105 1 19 . 1 1 8 8 VAL N N 15 121.462 0.300 . 1 . . . . 8 VAL N . 10105 1 20 . 1 1 9 9 PRO HA H 1 4.439 0.030 . 1 . . . . 9 PRO HA . 10105 1 21 . 1 1 9 9 PRO HB2 H 1 2.353 0.030 . 2 . . . . 9 PRO HB2 . 10105 1 22 . 1 1 9 9 PRO HB3 H 1 1.861 0.030 . 2 . . . . 9 PRO HB3 . 10105 1 23 . 1 1 9 9 PRO HG2 H 1 2.050 0.030 . 1 . . . . 9 PRO HG2 . 10105 1 24 . 1 1 9 9 PRO HG3 H 1 2.050 0.030 . 1 . . . . 9 PRO HG3 . 10105 1 25 . 1 1 9 9 PRO HD2 H 1 3.701 0.030 . 2 . . . . 9 PRO HD2 . 10105 1 26 . 1 1 9 9 PRO HD3 H 1 3.920 0.030 . 2 . . . . 9 PRO HD3 . 10105 1 27 . 1 1 9 9 PRO C C 13 176.256 0.300 . 1 . . . . 9 PRO C . 10105 1 28 . 1 1 9 9 PRO CA C 13 63.034 0.300 . 1 . . . . 9 PRO CA . 10105 1 29 . 1 1 9 9 PRO CB C 13 32.203 0.300 . 1 . . . . 9 PRO CB . 10105 1 30 . 1 1 9 9 PRO CG C 13 27.474 0.300 . 1 . . . . 9 PRO CG . 10105 1 31 . 1 1 9 9 PRO CD C 13 51.044 0.300 . 1 . . . . 9 PRO CD . 10105 1 32 . 1 1 10 10 GLU H H 1 8.513 0.030 . 1 . . . . 10 GLU H . 10105 1 33 . 1 1 10 10 GLU HA H 1 4.071 0.030 . 1 . . . . 10 GLU HA . 10105 1 34 . 1 1 10 10 GLU HB2 H 1 1.812 0.030 . 2 . . . . 10 GLU HB2 . 10105 1 35 . 1 1 10 10 GLU HB3 H 1 1.894 0.030 . 2 . . . . 10 GLU HB3 . 10105 1 36 . 1 1 10 10 GLU HG2 H 1 2.150 0.030 . 2 . . . . 10 GLU HG2 . 10105 1 37 . 1 1 10 10 GLU HG3 H 1 1.967 0.030 . 2 . . . . 10 GLU HG3 . 10105 1 38 . 1 1 10 10 GLU C C 13 175.318 0.300 . 1 . . . . 10 GLU C . 10105 1 39 . 1 1 10 10 GLU CA C 13 56.619 0.300 . 1 . . . . 10 GLU CA . 10105 1 40 . 1 1 10 10 GLU CB C 13 30.598 0.300 . 1 . . . . 10 GLU CB . 10105 1 41 . 1 1 10 10 GLU CG C 13 36.430 0.300 . 1 . . . . 10 GLU CG . 10105 1 42 . 1 1 10 10 GLU N N 15 123.069 0.300 . 1 . . . . 10 GLU N . 10105 1 43 . 1 1 11 11 LYS H H 1 7.875 0.030 . 1 . . . . 11 LYS H . 10105 1 44 . 1 1 11 11 LYS HA H 1 4.296 0.030 . 1 . . . . 11 LYS HA . 10105 1 45 . 1 1 11 11 LYS HB2 H 1 1.469 0.030 . 2 . . . . 11 LYS HB2 . 10105 1 46 . 1 1 11 11 LYS HB3 H 1 1.389 0.030 . 2 . . . . 11 LYS HB3 . 10105 1 47 . 1 1 11 11 LYS HG2 H 1 1.366 0.030 . 2 . . . . 11 LYS HG2 . 10105 1 48 . 1 1 11 11 LYS HG3 H 1 1.119 0.030 . 2 . . . . 11 LYS HG3 . 10105 1 49 . 1 1 11 11 LYS HD2 H 1 1.510 0.030 . 1 . . . . 11 LYS HD2 . 10105 1 50 . 1 1 11 11 LYS HD3 H 1 1.510 0.030 . 1 . . . . 11 LYS HD3 . 10105 1 51 . 1 1 11 11 LYS HE2 H 1 2.893 0.030 . 1 . . . . 11 LYS HE2 . 10105 1 52 . 1 1 11 11 LYS HE3 H 1 2.893 0.030 . 1 . . . . 11 LYS HE3 . 10105 1 53 . 1 1 11 11 LYS C C 13 174.134 0.300 . 1 . . . . 11 LYS C . 10105 1 54 . 1 1 11 11 LYS CA C 13 55.150 0.300 . 1 . . . . 11 LYS CA . 10105 1 55 . 1 1 11 11 LYS CB C 13 35.362 0.300 . 1 . . . . 11 LYS CB . 10105 1 56 . 1 1 11 11 LYS CG C 13 26.116 0.300 . 1 . . . . 11 LYS CG . 10105 1 57 . 1 1 11 11 LYS CD C 13 29.600 0.300 . 1 . . . . 11 LYS CD . 10105 1 58 . 1 1 11 11 LYS CE C 13 42.108 0.300 . 1 . . . . 11 LYS CE . 10105 1 59 . 1 1 11 11 LYS N N 15 121.376 0.300 . 1 . . . . 11 LYS N . 10105 1 60 . 1 1 12 12 PHE H H 1 8.458 0.030 . 1 . . . . 12 PHE H . 10105 1 61 . 1 1 12 12 PHE HA H 1 4.720 0.030 . 1 . . . . 12 PHE HA . 10105 1 62 . 1 1 12 12 PHE HB2 H 1 3.092 0.030 . 2 . . . . 12 PHE HB2 . 10105 1 63 . 1 1 12 12 PHE HB3 H 1 2.583 0.030 . 2 . . . . 12 PHE HB3 . 10105 1 64 . 1 1 12 12 PHE HD1 H 1 7.069 0.030 . 1 . . . . 12 PHE HD1 . 10105 1 65 . 1 1 12 12 PHE HD2 H 1 7.069 0.030 . 1 . . . . 12 PHE HD2 . 10105 1 66 . 1 1 12 12 PHE HE1 H 1 7.358 0.030 . 1 . . . . 12 PHE HE1 . 10105 1 67 . 1 1 12 12 PHE HE2 H 1 7.358 0.030 . 1 . . . . 12 PHE HE2 . 10105 1 68 . 1 1 12 12 PHE C C 13 174.489 0.300 . 1 . . . . 12 PHE C . 10105 1 69 . 1 1 12 12 PHE CA C 13 57.449 0.300 . 1 . . . . 12 PHE CA . 10105 1 70 . 1 1 12 12 PHE CB C 13 44.310 0.300 . 1 . . . . 12 PHE CB . 10105 1 71 . 1 1 12 12 PHE CD1 C 13 131.993 0.300 . 1 . . . . 12 PHE CD1 . 10105 1 72 . 1 1 12 12 PHE CD2 C 13 131.993 0.300 . 1 . . . . 12 PHE CD2 . 10105 1 73 . 1 1 12 12 PHE CE1 C 13 131.394 0.300 . 1 . . . . 12 PHE CE1 . 10105 1 74 . 1 1 12 12 PHE CE2 C 13 131.394 0.300 . 1 . . . . 12 PHE CE2 . 10105 1 75 . 1 1 12 12 PHE N N 15 116.176 0.300 . 1 . . . . 12 PHE N . 10105 1 76 . 1 1 13 13 LYS H H 1 9.234 0.030 . 1 . . . . 13 LYS H . 10105 1 77 . 1 1 13 13 LYS HA H 1 5.010 0.030 . 1 . . . . 13 LYS HA . 10105 1 78 . 1 1 13 13 LYS HB2 H 1 1.901 0.030 . 2 . . . . 13 LYS HB2 . 10105 1 79 . 1 1 13 13 LYS HB3 H 1 1.489 0.030 . 2 . . . . 13 LYS HB3 . 10105 1 80 . 1 1 13 13 LYS HG2 H 1 1.489 0.030 . 1 . . . . 13 LYS HG2 . 10105 1 81 . 1 1 13 13 LYS HG3 H 1 1.489 0.030 . 1 . . . . 13 LYS HG3 . 10105 1 82 . 1 1 13 13 LYS HD2 H 1 1.827 0.030 . 2 . . . . 13 LYS HD2 . 10105 1 83 . 1 1 13 13 LYS HD3 H 1 1.625 0.030 . 2 . . . . 13 LYS HD3 . 10105 1 84 . 1 1 13 13 LYS HE2 H 1 3.099 0.030 . 2 . . . . 13 LYS HE2 . 10105 1 85 . 1 1 13 13 LYS HE3 H 1 3.037 0.030 . 2 . . . . 13 LYS HE3 . 10105 1 86 . 1 1 13 13 LYS C C 13 176.403 0.300 . 1 . . . . 13 LYS C . 10105 1 87 . 1 1 13 13 LYS CA C 13 55.257 0.300 . 1 . . . . 13 LYS CA . 10105 1 88 . 1 1 13 13 LYS CB C 13 34.256 0.300 . 1 . . . . 13 LYS CB . 10105 1 89 . 1 1 13 13 LYS CG C 13 25.124 0.300 . 1 . . . . 13 LYS CG . 10105 1 90 . 1 1 13 13 LYS CD C 13 29.375 0.300 . 1 . . . . 13 LYS CD . 10105 1 91 . 1 1 13 13 LYS CE C 13 42.351 0.300 . 1 . . . . 13 LYS CE . 10105 1 92 . 1 1 13 13 LYS N N 15 121.858 0.300 . 1 . . . . 13 LYS N . 10105 1 93 . 1 1 14 14 LEU H H 1 8.361 0.030 . 1 . . . . 14 LEU H . 10105 1 94 . 1 1 14 14 LEU HA H 1 4.732 0.030 . 1 . . . . 14 LEU HA . 10105 1 95 . 1 1 14 14 LEU HB2 H 1 1.744 0.030 . 2 . . . . 14 LEU HB2 . 10105 1 96 . 1 1 14 14 LEU HB3 H 1 1.699 0.030 . 2 . . . . 14 LEU HB3 . 10105 1 97 . 1 1 14 14 LEU HG H 1 1.598 0.030 . 1 . . . . 14 LEU HG . 10105 1 98 . 1 1 14 14 LEU HD11 H 1 0.803 0.030 . 1 . . . . 14 LEU HD1 . 10105 1 99 . 1 1 14 14 LEU HD12 H 1 0.803 0.030 . 1 . . . . 14 LEU HD1 . 10105 1 100 . 1 1 14 14 LEU HD13 H 1 0.803 0.030 . 1 . . . . 14 LEU HD1 . 10105 1 101 . 1 1 14 14 LEU HD21 H 1 0.774 0.030 . 1 . . . . 14 LEU HD2 . 10105 1 102 . 1 1 14 14 LEU HD22 H 1 0.774 0.030 . 1 . . . . 14 LEU HD2 . 10105 1 103 . 1 1 14 14 LEU HD23 H 1 0.774 0.030 . 1 . . . . 14 LEU HD2 . 10105 1 104 . 1 1 14 14 LEU C C 13 177.061 0.300 . 1 . . . . 14 LEU C . 10105 1 105 . 1 1 14 14 LEU CA C 13 56.300 0.300 . 1 . . . . 14 LEU CA . 10105 1 106 . 1 1 14 14 LEU CB C 13 43.073 0.300 . 1 . . . . 14 LEU CB . 10105 1 107 . 1 1 14 14 LEU CG C 13 30.564 0.300 . 1 . . . . 14 LEU CG . 10105 1 108 . 1 1 14 14 LEU CD1 C 13 25.226 0.300 . 2 . . . . 14 LEU CD1 . 10105 1 109 . 1 1 14 14 LEU CD2 C 13 26.512 0.300 . 2 . . . . 14 LEU CD2 . 10105 1 110 . 1 1 14 14 LEU N N 15 129.155 0.300 . 1 . . . . 14 LEU N . 10105 1 111 . 1 1 15 15 SER H H 1 8.175 0.030 . 1 . . . . 15 SER H . 10105 1 112 . 1 1 15 15 SER HA H 1 4.454 0.030 . 1 . . . . 15 SER HA . 10105 1 113 . 1 1 15 15 SER HB2 H 1 4.505 0.030 . 2 . . . . 15 SER HB2 . 10105 1 114 . 1 1 15 15 SER HB3 H 1 4.343 0.030 . 2 . . . . 15 SER HB3 . 10105 1 115 . 1 1 15 15 SER C C 13 174.305 0.300 . 1 . . . . 15 SER C . 10105 1 116 . 1 1 15 15 SER CA C 13 57.184 0.300 . 1 . . . . 15 SER CA . 10105 1 117 . 1 1 15 15 SER CB C 13 64.252 0.300 . 1 . . . . 15 SER CB . 10105 1 118 . 1 1 15 15 SER N N 15 116.915 0.300 . 1 . . . . 15 SER N . 10105 1 119 . 1 1 16 16 THR H H 1 8.842 0.030 . 1 . . . . 16 THR H . 10105 1 120 . 1 1 16 16 THR HA H 1 3.938 0.030 . 1 . . . . 16 THR HA . 10105 1 121 . 1 1 16 16 THR HB H 1 4.156 0.030 . 1 . . . . 16 THR HB . 10105 1 122 . 1 1 16 16 THR HG21 H 1 1.307 0.030 . 1 . . . . 16 THR HG2 . 10105 1 123 . 1 1 16 16 THR HG22 H 1 1.307 0.030 . 1 . . . . 16 THR HG2 . 10105 1 124 . 1 1 16 16 THR HG23 H 1 1.307 0.030 . 1 . . . . 16 THR HG2 . 10105 1 125 . 1 1 16 16 THR C C 13 175.939 0.300 . 1 . . . . 16 THR C . 10105 1 126 . 1 1 16 16 THR CA C 13 66.735 0.300 . 1 . . . . 16 THR CA . 10105 1 127 . 1 1 16 16 THR CB C 13 68.561 0.300 . 1 . . . . 16 THR CB . 10105 1 128 . 1 1 16 16 THR CG2 C 13 22.410 0.300 . 1 . . . . 16 THR CG2 . 10105 1 129 . 1 1 16 16 THR N N 15 116.641 0.300 . 1 . . . . 16 THR N . 10105 1 130 . 1 1 17 17 ALA H H 1 8.209 0.030 . 1 . . . . 17 ALA H . 10105 1 131 . 1 1 17 17 ALA HA H 1 4.108 0.030 . 1 . . . . 17 ALA HA . 10105 1 132 . 1 1 17 17 ALA HB1 H 1 1.281 0.030 . 1 . . . . 17 ALA HB . 10105 1 133 . 1 1 17 17 ALA HB2 H 1 1.281 0.030 . 1 . . . . 17 ALA HB . 10105 1 134 . 1 1 17 17 ALA HB3 H 1 1.281 0.030 . 1 . . . . 17 ALA HB . 10105 1 135 . 1 1 17 17 ALA C C 13 179.866 0.300 . 1 . . . . 17 ALA C . 10105 1 136 . 1 1 17 17 ALA CA C 13 54.958 0.300 . 1 . . . . 17 ALA CA . 10105 1 137 . 1 1 17 17 ALA CB C 13 18.444 0.300 . 1 . . . . 17 ALA CB . 10105 1 138 . 1 1 17 17 ALA N N 15 121.194 0.300 . 1 . . . . 17 ALA N . 10105 1 139 . 1 1 18 18 LEU H H 1 7.764 0.030 . 1 . . . . 18 LEU H . 10105 1 140 . 1 1 18 18 LEU HA H 1 3.935 0.030 . 1 . . . . 18 LEU HA . 10105 1 141 . 1 1 18 18 LEU HB2 H 1 1.727 0.030 . 2 . . . . 18 LEU HB2 . 10105 1 142 . 1 1 18 18 LEU HB3 H 1 1.234 0.030 . 2 . . . . 18 LEU HB3 . 10105 1 143 . 1 1 18 18 LEU HG H 1 1.487 0.030 . 1 . . . . 18 LEU HG . 10105 1 144 . 1 1 18 18 LEU HD11 H 1 0.650 0.030 . 1 . . . . 18 LEU HD1 . 10105 1 145 . 1 1 18 18 LEU HD12 H 1 0.650 0.030 . 1 . . . . 18 LEU HD1 . 10105 1 146 . 1 1 18 18 LEU HD13 H 1 0.650 0.030 . 1 . . . . 18 LEU HD1 . 10105 1 147 . 1 1 18 18 LEU HD21 H 1 0.658 0.030 . 1 . . . . 18 LEU HD2 . 10105 1 148 . 1 1 18 18 LEU HD22 H 1 0.658 0.030 . 1 . . . . 18 LEU HD2 . 10105 1 149 . 1 1 18 18 LEU HD23 H 1 0.658 0.030 . 1 . . . . 18 LEU HD2 . 10105 1 150 . 1 1 18 18 LEU C C 13 178.939 0.300 . 1 . . . . 18 LEU C . 10105 1 151 . 1 1 18 18 LEU CA C 13 56.530 0.300 . 1 . . . . 18 LEU CA . 10105 1 152 . 1 1 18 18 LEU CB C 13 42.458 0.300 . 1 . . . . 18 LEU CB . 10105 1 153 . 1 1 18 18 LEU CG C 13 26.836 0.300 . 1 . . . . 18 LEU CG . 10105 1 154 . 1 1 18 18 LEU CD1 C 13 24.286 0.300 . 2 . . . . 18 LEU CD1 . 10105 1 155 . 1 1 18 18 LEU CD2 C 13 25.763 0.300 . 2 . . . . 18 LEU CD2 . 10105 1 156 . 1 1 18 18 LEU N N 15 118.551 0.300 . 1 . . . . 18 LEU N . 10105 1 157 . 1 1 19 19 MET H H 1 9.286 0.030 . 1 . . . . 19 MET H . 10105 1 158 . 1 1 19 19 MET HA H 1 4.034 0.030 . 1 . . . . 19 MET HA . 10105 1 159 . 1 1 19 19 MET HB2 H 1 2.157 0.030 . 1 . . . . 19 MET HB2 . 10105 1 160 . 1 1 19 19 MET HB3 H 1 2.157 0.030 . 1 . . . . 19 MET HB3 . 10105 1 161 . 1 1 19 19 MET HG2 H 1 2.647 0.030 . 2 . . . . 19 MET HG2 . 10105 1 162 . 1 1 19 19 MET HG3 H 1 2.564 0.030 . 2 . . . . 19 MET HG3 . 10105 1 163 . 1 1 19 19 MET HE1 H 1 2.067 0.030 . 1 . . . . 19 MET HE . 10105 1 164 . 1 1 19 19 MET HE2 H 1 2.067 0.030 . 1 . . . . 19 MET HE . 10105 1 165 . 1 1 19 19 MET HE3 H 1 2.067 0.030 . 1 . . . . 19 MET HE . 10105 1 166 . 1 1 19 19 MET C C 13 179.293 0.300 . 1 . . . . 19 MET C . 10105 1 167 . 1 1 19 19 MET CA C 13 59.961 0.300 . 1 . . . . 19 MET CA . 10105 1 168 . 1 1 19 19 MET CB C 13 33.055 0.300 . 1 . . . . 19 MET CB . 10105 1 169 . 1 1 19 19 MET CG C 13 31.564 0.300 . 1 . . . . 19 MET CG . 10105 1 170 . 1 1 19 19 MET CE C 13 16.763 0.300 . 1 . . . . 19 MET CE . 10105 1 171 . 1 1 19 19 MET N N 15 123.433 0.300 . 1 . . . . 19 MET N . 10105 1 172 . 1 1 20 20 ASP H H 1 8.241 0.030 . 1 . . . . 20 ASP H . 10105 1 173 . 1 1 20 20 ASP HA H 1 4.373 0.030 . 1 . . . . 20 ASP HA . 10105 1 174 . 1 1 20 20 ASP HB2 H 1 2.738 0.030 . 2 . . . . 20 ASP HB2 . 10105 1 175 . 1 1 20 20 ASP HB3 H 1 2.568 0.030 . 2 . . . . 20 ASP HB3 . 10105 1 176 . 1 1 20 20 ASP C C 13 177.659 0.300 . 1 . . . . 20 ASP C . 10105 1 177 . 1 1 20 20 ASP CA C 13 57.113 0.300 . 1 . . . . 20 ASP CA . 10105 1 178 . 1 1 20 20 ASP CB C 13 40.458 0.300 . 1 . . . . 20 ASP CB . 10105 1 179 . 1 1 20 20 ASP N N 15 119.478 0.300 . 1 . . . . 20 ASP N . 10105 1 180 . 1 1 21 21 VAL H H 1 6.863 0.030 . 1 . . . . 21 VAL H . 10105 1 181 . 1 1 21 21 VAL HA H 1 3.801 0.030 . 1 . . . . 21 VAL HA . 10105 1 182 . 1 1 21 21 VAL HB H 1 1.822 0.030 . 1 . . . . 21 VAL HB . 10105 1 183 . 1 1 21 21 VAL HG11 H 1 0.645 0.030 . 1 . . . . 21 VAL HG1 . 10105 1 184 . 1 1 21 21 VAL HG12 H 1 0.645 0.030 . 1 . . . . 21 VAL HG1 . 10105 1 185 . 1 1 21 21 VAL HG13 H 1 0.645 0.030 . 1 . . . . 21 VAL HG1 . 10105 1 186 . 1 1 21 21 VAL HG21 H 1 0.248 0.030 . 1 . . . . 21 VAL HG2 . 10105 1 187 . 1 1 21 21 VAL HG22 H 1 0.248 0.030 . 1 . . . . 21 VAL HG2 . 10105 1 188 . 1 1 21 21 VAL HG23 H 1 0.248 0.030 . 1 . . . . 21 VAL HG2 . 10105 1 189 . 1 1 21 21 VAL C C 13 176.391 0.300 . 1 . . . . 21 VAL C . 10105 1 190 . 1 1 21 21 VAL CA C 13 64.400 0.300 . 1 . . . . 21 VAL CA . 10105 1 191 . 1 1 21 21 VAL CB C 13 32.670 0.300 . 1 . . . . 21 VAL CB . 10105 1 192 . 1 1 21 21 VAL CG1 C 13 22.676 0.300 . 2 . . . . 21 VAL CG1 . 10105 1 193 . 1 1 21 21 VAL CG2 C 13 20.646 0.300 . 2 . . . . 21 VAL CG2 . 10105 1 194 . 1 1 21 21 VAL N N 15 115.935 0.300 . 1 . . . . 21 VAL N . 10105 1 195 . 1 1 22 22 LEU H H 1 7.888 0.030 . 1 . . . . 22 LEU H . 10105 1 196 . 1 1 22 22 LEU HA H 1 4.330 0.030 . 1 . . . . 22 LEU HA . 10105 1 197 . 1 1 22 22 LEU HB2 H 1 1.554 0.030 . 2 . . . . 22 LEU HB2 . 10105 1 198 . 1 1 22 22 LEU HB3 H 1 1.506 0.030 . 2 . . . . 22 LEU HB3 . 10105 1 199 . 1 1 22 22 LEU HG H 1 1.652 0.030 . 1 . . . . 22 LEU HG . 10105 1 200 . 1 1 22 22 LEU HD11 H 1 0.808 0.030 . 1 . . . . 22 LEU HD1 . 10105 1 201 . 1 1 22 22 LEU HD12 H 1 0.808 0.030 . 1 . . . . 22 LEU HD1 . 10105 1 202 . 1 1 22 22 LEU HD13 H 1 0.808 0.030 . 1 . . . . 22 LEU HD1 . 10105 1 203 . 1 1 22 22 LEU HD21 H 1 0.682 0.030 . 1 . . . . 22 LEU HD2 . 10105 1 204 . 1 1 22 22 LEU HD22 H 1 0.682 0.030 . 1 . . . . 22 LEU HD2 . 10105 1 205 . 1 1 22 22 LEU HD23 H 1 0.682 0.030 . 1 . . . . 22 LEU HD2 . 10105 1 206 . 1 1 22 22 LEU C C 13 178.780 0.300 . 1 . . . . 22 LEU C . 10105 1 207 . 1 1 22 22 LEU CA C 13 55.729 0.300 . 1 . . . . 22 LEU CA . 10105 1 208 . 1 1 22 22 LEU CB C 13 43.884 0.300 . 1 . . . . 22 LEU CB . 10105 1 209 . 1 1 22 22 LEU CG C 13 27.063 0.300 . 1 . . . . 22 LEU CG . 10105 1 210 . 1 1 22 22 LEU CD1 C 13 25.864 0.300 . 2 . . . . 22 LEU CD1 . 10105 1 211 . 1 1 22 22 LEU CD2 C 13 22.113 0.300 . 2 . . . . 22 LEU CD2 . 10105 1 212 . 1 1 22 22 LEU N N 15 115.314 0.300 . 1 . . . . 22 LEU N . 10105 1 213 . 1 1 23 23 GLY H H 1 9.102 0.030 . 1 . . . . 23 GLY H . 10105 1 214 . 1 1 23 23 GLY HA2 H 1 4.000 0.030 . 2 . . . . 23 GLY HA2 . 10105 1 215 . 1 1 23 23 GLY HA3 H 1 3.892 0.030 . 2 . . . . 23 GLY HA3 . 10105 1 216 . 1 1 23 23 GLY C C 13 173.306 0.300 . 1 . . . . 23 GLY C . 10105 1 217 . 1 1 23 23 GLY CA C 13 46.501 0.300 . 1 . . . . 23 GLY CA . 10105 1 218 . 1 1 23 23 GLY N N 15 108.857 0.300 . 1 . . . . 23 GLY N . 10105 1 219 . 1 1 24 24 ILE H H 1 6.669 0.030 . 1 . . . . 24 ILE H . 10105 1 220 . 1 1 24 24 ILE HA H 1 4.475 0.030 . 1 . . . . 24 ILE HA . 10105 1 221 . 1 1 24 24 ILE HB H 1 1.679 0.030 . 1 . . . . 24 ILE HB . 10105 1 222 . 1 1 24 24 ILE HG12 H 1 1.395 0.030 . 2 . . . . 24 ILE HG12 . 10105 1 223 . 1 1 24 24 ILE HG13 H 1 0.975 0.030 . 2 . . . . 24 ILE HG13 . 10105 1 224 . 1 1 24 24 ILE HG21 H 1 0.896 0.030 . 1 . . . . 24 ILE HG2 . 10105 1 225 . 1 1 24 24 ILE HG22 H 1 0.896 0.030 . 1 . . . . 24 ILE HG2 . 10105 1 226 . 1 1 24 24 ILE HG23 H 1 0.896 0.030 . 1 . . . . 24 ILE HG2 . 10105 1 227 . 1 1 24 24 ILE HD11 H 1 0.827 0.030 . 1 . . . . 24 ILE HD1 . 10105 1 228 . 1 1 24 24 ILE HD12 H 1 0.827 0.030 . 1 . . . . 24 ILE HD1 . 10105 1 229 . 1 1 24 24 ILE HD13 H 1 0.827 0.030 . 1 . . . . 24 ILE HD1 . 10105 1 230 . 1 1 24 24 ILE C C 13 172.818 0.300 . 1 . . . . 24 ILE C . 10105 1 231 . 1 1 24 24 ILE CA C 13 59.431 0.300 . 1 . . . . 24 ILE CA . 10105 1 232 . 1 1 24 24 ILE CB C 13 42.135 0.300 . 1 . . . . 24 ILE CB . 10105 1 233 . 1 1 24 24 ILE CG1 C 13 26.605 0.300 . 1 . . . . 24 ILE CG1 . 10105 1 234 . 1 1 24 24 ILE CG2 C 13 18.229 0.300 . 1 . . . . 24 ILE CG2 . 10105 1 235 . 1 1 24 24 ILE CD1 C 13 14.152 0.300 . 1 . . . . 24 ILE CD1 . 10105 1 236 . 1 1 24 24 ILE N N 15 114.639 0.300 . 1 . . . . 24 ILE N . 10105 1 237 . 1 1 25 25 GLU H H 1 8.380 0.030 . 1 . . . . 25 GLU H . 10105 1 238 . 1 1 25 25 GLU HA H 1 4.545 0.030 . 1 . . . . 25 GLU HA . 10105 1 239 . 1 1 25 25 GLU HB2 H 1 2.137 0.030 . 2 . . . . 25 GLU HB2 . 10105 1 240 . 1 1 25 25 GLU HB3 H 1 2.035 0.030 . 2 . . . . 25 GLU HB3 . 10105 1 241 . 1 1 25 25 GLU HG2 H 1 2.423 0.030 . 2 . . . . 25 GLU HG2 . 10105 1 242 . 1 1 25 25 GLU HG3 H 1 2.360 0.030 . 2 . . . . 25 GLU HG3 . 10105 1 243 . 1 1 25 25 GLU C C 13 176.049 0.300 . 1 . . . . 25 GLU C . 10105 1 244 . 1 1 25 25 GLU CA C 13 58.298 0.300 . 1 . . . . 25 GLU CA . 10105 1 245 . 1 1 25 25 GLU CB C 13 32.503 0.300 . 1 . . . . 25 GLU CB . 10105 1 246 . 1 1 25 25 GLU CG C 13 37.081 0.300 . 1 . . . . 25 GLU CG . 10105 1 247 . 1 1 25 25 GLU N N 15 120.386 0.300 . 1 . . . . 25 GLU N . 10105 1 248 . 1 1 26 26 VAL H H 1 7.434 0.030 . 1 . . . . 26 VAL H . 10105 1 249 . 1 1 26 26 VAL HA H 1 5.372 0.030 . 1 . . . . 26 VAL HA . 10105 1 250 . 1 1 26 26 VAL HB H 1 1.876 0.030 . 1 . . . . 26 VAL HB . 10105 1 251 . 1 1 26 26 VAL HG11 H 1 0.803 0.030 . 1 . . . . 26 VAL HG1 . 10105 1 252 . 1 1 26 26 VAL HG12 H 1 0.803 0.030 . 1 . . . . 26 VAL HG1 . 10105 1 253 . 1 1 26 26 VAL HG13 H 1 0.803 0.030 . 1 . . . . 26 VAL HG1 . 10105 1 254 . 1 1 26 26 VAL HG21 H 1 0.896 0.030 . 1 . . . . 26 VAL HG2 . 10105 1 255 . 1 1 26 26 VAL HG22 H 1 0.896 0.030 . 1 . . . . 26 VAL HG2 . 10105 1 256 . 1 1 26 26 VAL HG23 H 1 0.896 0.030 . 1 . . . . 26 VAL HG2 . 10105 1 257 . 1 1 26 26 VAL C C 13 175.330 0.300 . 1 . . . . 26 VAL C . 10105 1 258 . 1 1 26 26 VAL CA C 13 59.792 0.300 . 1 . . . . 26 VAL CA . 10105 1 259 . 1 1 26 26 VAL CB C 13 35.748 0.300 . 1 . . . . 26 VAL CB . 10105 1 260 . 1 1 26 26 VAL CG1 C 13 21.959 0.300 . 2 . . . . 26 VAL CG1 . 10105 1 261 . 1 1 26 26 VAL CG2 C 13 21.349 0.300 . 2 . . . . 26 VAL CG2 . 10105 1 262 . 1 1 26 26 VAL N N 15 117.490 0.300 . 1 . . . . 26 VAL N . 10105 1 263 . 1 1 27 27 GLU H H 1 8.895 0.030 . 1 . . . . 27 GLU H . 10105 1 264 . 1 1 27 27 GLU HA H 1 4.927 0.030 . 1 . . . . 27 GLU HA . 10105 1 265 . 1 1 27 27 GLU HB2 H 1 1.903 0.030 . 1 . . . . 27 GLU HB2 . 10105 1 266 . 1 1 27 27 GLU HB3 H 1 1.903 0.030 . 1 . . . . 27 GLU HB3 . 10105 1 267 . 1 1 27 27 GLU HG2 H 1 2.856 0.030 . 2 . . . . 27 GLU HG2 . 10105 1 268 . 1 1 27 27 GLU HG3 H 1 2.472 0.030 . 2 . . . . 27 GLU HG3 . 10105 1 269 . 1 1 27 27 GLU C C 13 175.305 0.300 . 1 . . . . 27 GLU C . 10105 1 270 . 1 1 27 27 GLU CA C 13 54.728 0.300 . 1 . . . . 27 GLU CA . 10105 1 271 . 1 1 27 27 GLU CB C 13 35.124 0.300 . 1 . . . . 27 GLU CB . 10105 1 272 . 1 1 27 27 GLU CG C 13 38.070 0.300 . 1 . . . . 27 GLU CG . 10105 1 273 . 1 1 27 27 GLU N N 15 126.567 0.300 . 1 . . . . 27 GLU N . 10105 1 274 . 1 1 28 28 THR H H 1 10.215 0.030 . 1 . . . . 28 THR H . 10105 1 275 . 1 1 28 28 THR HA H 1 5.139 0.030 . 1 . . . . 28 THR HA . 10105 1 276 . 1 1 28 28 THR HB H 1 4.663 0.030 . 1 . . . . 28 THR HB . 10105 1 277 . 1 1 28 28 THR HG21 H 1 1.281 0.030 . 1 . . . . 28 THR HG2 . 10105 1 278 . 1 1 28 28 THR HG22 H 1 1.281 0.030 . 1 . . . . 28 THR HG2 . 10105 1 279 . 1 1 28 28 THR HG23 H 1 1.281 0.030 . 1 . . . . 28 THR HG2 . 10105 1 280 . 1 1 28 28 THR C C 13 175.379 0.300 . 1 . . . . 28 THR C . 10105 1 281 . 1 1 28 28 THR CA C 13 60.686 0.300 . 1 . . . . 28 THR CA . 10105 1 282 . 1 1 28 28 THR CB C 13 70.036 0.300 . 1 . . . . 28 THR CB . 10105 1 283 . 1 1 28 28 THR CG2 C 13 22.679 0.300 . 1 . . . . 28 THR CG2 . 10105 1 284 . 1 1 28 28 THR N N 15 115.543 0.300 . 1 . . . . 28 THR N . 10105 1 285 . 1 1 29 29 ARG H H 1 9.697 0.030 . 1 . . . . 29 ARG H . 10105 1 286 . 1 1 29 29 ARG HA H 1 4.039 0.030 . 1 . . . . 29 ARG HA . 10105 1 287 . 1 1 29 29 ARG HB2 H 1 2.084 0.030 . 2 . . . . 29 ARG HB2 . 10105 1 288 . 1 1 29 29 ARG HB3 H 1 1.972 0.030 . 2 . . . . 29 ARG HB3 . 10105 1 289 . 1 1 29 29 ARG HG2 H 1 1.521 0.030 . 2 . . . . 29 ARG HG2 . 10105 1 290 . 1 1 29 29 ARG HG3 H 1 1.338 0.030 . 2 . . . . 29 ARG HG3 . 10105 1 291 . 1 1 29 29 ARG HD2 H 1 3.137 0.030 . 2 . . . . 29 ARG HD2 . 10105 1 292 . 1 1 29 29 ARG HD3 H 1 3.050 0.030 . 2 . . . . 29 ARG HD3 . 10105 1 293 . 1 1 29 29 ARG C C 13 175.257 0.300 . 1 . . . . 29 ARG C . 10105 1 294 . 1 1 29 29 ARG CA C 13 62.030 0.300 . 1 . . . . 29 ARG CA . 10105 1 295 . 1 1 29 29 ARG CB C 13 28.491 0.300 . 1 . . . . 29 ARG CB . 10105 1 296 . 1 1 29 29 ARG CG C 13 29.398 0.300 . 1 . . . . 29 ARG CG . 10105 1 297 . 1 1 29 29 ARG CD C 13 43.034 0.300 . 1 . . . . 29 ARG CD . 10105 1 298 . 1 1 29 29 ARG N N 15 121.662 0.300 . 1 . . . . 29 ARG N . 10105 1 299 . 1 1 30 30 PRO HA H 1 4.244 0.030 . 1 . . . . 30 PRO HA . 10105 1 300 . 1 1 30 30 PRO HB2 H 1 2.390 0.030 . 2 . . . . 30 PRO HB2 . 10105 1 301 . 1 1 30 30 PRO HB3 H 1 1.807 0.030 . 2 . . . . 30 PRO HB3 . 10105 1 302 . 1 1 30 30 PRO HG2 H 1 2.194 0.030 . 2 . . . . 30 PRO HG2 . 10105 1 303 . 1 1 30 30 PRO HG3 H 1 2.071 0.030 . 2 . . . . 30 PRO HG3 . 10105 1 304 . 1 1 30 30 PRO HD2 H 1 3.919 0.030 . 1 . . . . 30 PRO HD2 . 10105 1 305 . 1 1 30 30 PRO HD3 H 1 3.919 0.030 . 1 . . . . 30 PRO HD3 . 10105 1 306 . 1 1 30 30 PRO C C 13 180.354 0.300 . 1 . . . . 30 PRO C . 10105 1 307 . 1 1 30 30 PRO CA C 13 66.023 0.300 . 1 . . . . 30 PRO CA . 10105 1 308 . 1 1 30 30 PRO CB C 13 31.311 0.300 . 1 . . . . 30 PRO CB . 10105 1 309 . 1 1 30 30 PRO CG C 13 28.556 0.300 . 1 . . . . 30 PRO CG . 10105 1 310 . 1 1 30 30 PRO CD C 13 50.044 0.300 . 1 . . . . 30 PRO CD . 10105 1 311 . 1 1 31 31 ARG H H 1 7.070 0.030 . 1 . . . . 31 ARG H . 10105 1 312 . 1 1 31 31 ARG HA H 1 4.049 0.030 . 1 . . . . 31 ARG HA . 10105 1 313 . 1 1 31 31 ARG HB2 H 1 1.636 0.030 . 1 . . . . 31 ARG HB2 . 10105 1 314 . 1 1 31 31 ARG HB3 H 1 1.636 0.030 . 1 . . . . 31 ARG HB3 . 10105 1 315 . 1 1 31 31 ARG HG2 H 1 2.050 0.030 . 2 . . . . 31 ARG HG2 . 10105 1 316 . 1 1 31 31 ARG HG3 H 1 1.699 0.030 . 2 . . . . 31 ARG HG3 . 10105 1 317 . 1 1 31 31 ARG HD2 H 1 3.355 0.030 . 2 . . . . 31 ARG HD2 . 10105 1 318 . 1 1 31 31 ARG HD3 H 1 3.265 0.030 . 2 . . . . 31 ARG HD3 . 10105 1 319 . 1 1 31 31 ARG HE H 1 7.549 0.030 . 1 . . . . 31 ARG HE . 10105 1 320 . 1 1 31 31 ARG C C 13 179.500 0.300 . 1 . . . . 31 ARG C . 10105 1 321 . 1 1 31 31 ARG CA C 13 59.360 0.300 . 1 . . . . 31 ARG CA . 10105 1 322 . 1 1 31 31 ARG CB C 13 29.479 0.300 . 1 . . . . 31 ARG CB . 10105 1 323 . 1 1 31 31 ARG CG C 13 29.435 0.300 . 1 . . . . 31 ARG CG . 10105 1 324 . 1 1 31 31 ARG CD C 13 42.969 0.300 . 1 . . . . 31 ARG CD . 10105 1 325 . 1 1 31 31 ARG N N 15 116.369 0.300 . 1 . . . . 31 ARG N . 10105 1 326 . 1 1 31 31 ARG NE N 15 126.119 0.300 . 1 . . . . 31 ARG NE . 10105 1 327 . 1 1 32 32 ILE H H 1 8.369 0.030 . 1 . . . . 32 ILE H . 10105 1 328 . 1 1 32 32 ILE HA H 1 3.460 0.030 . 1 . . . . 32 ILE HA . 10105 1 329 . 1 1 32 32 ILE HB H 1 1.932 0.030 . 1 . . . . 32 ILE HB . 10105 1 330 . 1 1 32 32 ILE HG12 H 1 1.919 0.030 . 2 . . . . 32 ILE HG12 . 10105 1 331 . 1 1 32 32 ILE HG13 H 1 0.536 0.030 . 2 . . . . 32 ILE HG13 . 10105 1 332 . 1 1 32 32 ILE HG21 H 1 0.727 0.030 . 1 . . . . 32 ILE HG2 . 10105 1 333 . 1 1 32 32 ILE HG22 H 1 0.727 0.030 . 1 . . . . 32 ILE HG2 . 10105 1 334 . 1 1 32 32 ILE HG23 H 1 0.727 0.030 . 1 . . . . 32 ILE HG2 . 10105 1 335 . 1 1 32 32 ILE HD11 H 1 0.723 0.030 . 1 . . . . 32 ILE HD1 . 10105 1 336 . 1 1 32 32 ILE HD12 H 1 0.723 0.030 . 1 . . . . 32 ILE HD1 . 10105 1 337 . 1 1 32 32 ILE HD13 H 1 0.723 0.030 . 1 . . . . 32 ILE HD1 . 10105 1 338 . 1 1 32 32 ILE C C 13 177.208 0.300 . 1 . . . . 32 ILE C . 10105 1 339 . 1 1 32 32 ILE CA C 13 66.042 0.300 . 1 . . . . 32 ILE CA . 10105 1 340 . 1 1 32 32 ILE CB C 13 38.543 0.300 . 1 . . . . 32 ILE CB . 10105 1 341 . 1 1 32 32 ILE CG1 C 13 29.488 0.300 . 1 . . . . 32 ILE CG1 . 10105 1 342 . 1 1 32 32 ILE CG2 C 13 18.030 0.300 . 1 . . . . 32 ILE CG2 . 10105 1 343 . 1 1 32 32 ILE CD1 C 13 15.527 0.300 . 1 . . . . 32 ILE CD1 . 10105 1 344 . 1 1 32 32 ILE N N 15 124.671 0.300 . 1 . . . . 32 ILE N . 10105 1 345 . 1 1 33 33 ILE H H 1 7.959 0.030 . 1 . . . . 33 ILE H . 10105 1 346 . 1 1 33 33 ILE HA H 1 3.239 0.030 . 1 . . . . 33 ILE HA . 10105 1 347 . 1 1 33 33 ILE HB H 1 1.621 0.030 . 1 . . . . 33 ILE HB . 10105 1 348 . 1 1 33 33 ILE HG12 H 1 1.625 0.030 . 2 . . . . 33 ILE HG12 . 10105 1 349 . 1 1 33 33 ILE HG13 H 1 0.815 0.030 . 2 . . . . 33 ILE HG13 . 10105 1 350 . 1 1 33 33 ILE HG21 H 1 0.379 0.030 . 1 . . . . 33 ILE HG2 . 10105 1 351 . 1 1 33 33 ILE HG22 H 1 0.379 0.030 . 1 . . . . 33 ILE HG2 . 10105 1 352 . 1 1 33 33 ILE HG23 H 1 0.379 0.030 . 1 . . . . 33 ILE HG2 . 10105 1 353 . 1 1 33 33 ILE HD11 H 1 0.805 0.030 . 1 . . . . 33 ILE HD1 . 10105 1 354 . 1 1 33 33 ILE HD12 H 1 0.805 0.030 . 1 . . . . 33 ILE HD1 . 10105 1 355 . 1 1 33 33 ILE HD13 H 1 0.805 0.030 . 1 . . . . 33 ILE HD1 . 10105 1 356 . 1 1 33 33 ILE C C 13 177.537 0.300 . 1 . . . . 33 ILE C . 10105 1 357 . 1 1 33 33 ILE CA C 13 65.784 0.300 . 1 . . . . 33 ILE CA . 10105 1 358 . 1 1 33 33 ILE CB C 13 37.702 0.300 . 1 . . . . 33 ILE CB . 10105 1 359 . 1 1 33 33 ILE CG1 C 13 29.620 0.300 . 1 . . . . 33 ILE CG1 . 10105 1 360 . 1 1 33 33 ILE CG2 C 13 16.827 0.300 . 1 . . . . 33 ILE CG2 . 10105 1 361 . 1 1 33 33 ILE CD1 C 13 13.386 0.300 . 1 . . . . 33 ILE CD1 . 10105 1 362 . 1 1 33 33 ILE N N 15 119.304 0.300 . 1 . . . . 33 ILE N . 10105 1 363 . 1 1 34 34 ALA H H 1 7.752 0.030 . 1 . . . . 34 ALA H . 10105 1 364 . 1 1 34 34 ALA HA H 1 4.002 0.030 . 1 . . . . 34 ALA HA . 10105 1 365 . 1 1 34 34 ALA HB1 H 1 1.453 0.030 . 1 . . . . 34 ALA HB . 10105 1 366 . 1 1 34 34 ALA HB2 H 1 1.453 0.030 . 1 . . . . 34 ALA HB . 10105 1 367 . 1 1 34 34 ALA HB3 H 1 1.453 0.030 . 1 . . . . 34 ALA HB . 10105 1 368 . 1 1 34 34 ALA C C 13 180.244 0.300 . 1 . . . . 34 ALA C . 10105 1 369 . 1 1 34 34 ALA CA C 13 54.953 0.300 . 1 . . . . 34 ALA CA . 10105 1 370 . 1 1 34 34 ALA CB C 13 18.211 0.300 . 1 . . . . 34 ALA CB . 10105 1 371 . 1 1 34 34 ALA N N 15 119.599 0.300 . 1 . . . . 34 ALA N . 10105 1 372 . 1 1 35 35 ALA H H 1 8.034 0.030 . 1 . . . . 35 ALA H . 10105 1 373 . 1 1 35 35 ALA HA H 1 4.406 0.030 . 1 . . . . 35 ALA HA . 10105 1 374 . 1 1 35 35 ALA HB1 H 1 1.679 0.030 . 1 . . . . 35 ALA HB . 10105 1 375 . 1 1 35 35 ALA HB2 H 1 1.679 0.030 . 1 . . . . 35 ALA HB . 10105 1 376 . 1 1 35 35 ALA HB3 H 1 1.679 0.030 . 1 . . . . 35 ALA HB . 10105 1 377 . 1 1 35 35 ALA C C 13 181.378 0.300 . 1 . . . . 35 ALA C . 10105 1 378 . 1 1 35 35 ALA CA C 13 55.009 0.300 . 1 . . . . 35 ALA CA . 10105 1 379 . 1 1 35 35 ALA CB C 13 18.733 0.300 . 1 . . . . 35 ALA CB . 10105 1 380 . 1 1 35 35 ALA N N 15 121.903 0.300 . 1 . . . . 35 ALA N . 10105 1 381 . 1 1 36 36 ILE H H 1 8.256 0.030 . 1 . . . . 36 ILE H . 10105 1 382 . 1 1 36 36 ILE HA H 1 3.730 0.030 . 1 . . . . 36 ILE HA . 10105 1 383 . 1 1 36 36 ILE HB H 1 2.257 0.030 . 1 . . . . 36 ILE HB . 10105 1 384 . 1 1 36 36 ILE HG12 H 1 1.926 0.030 . 2 . . . . 36 ILE HG12 . 10105 1 385 . 1 1 36 36 ILE HG13 H 1 1.026 0.030 . 2 . . . . 36 ILE HG13 . 10105 1 386 . 1 1 36 36 ILE HG21 H 1 0.895 0.030 . 1 . . . . 36 ILE HG2 . 10105 1 387 . 1 1 36 36 ILE HG22 H 1 0.895 0.030 . 1 . . . . 36 ILE HG2 . 10105 1 388 . 1 1 36 36 ILE HG23 H 1 0.895 0.030 . 1 . . . . 36 ILE HG2 . 10105 1 389 . 1 1 36 36 ILE HD11 H 1 0.746 0.030 . 1 . . . . 36 ILE HD1 . 10105 1 390 . 1 1 36 36 ILE HD12 H 1 0.746 0.030 . 1 . . . . 36 ILE HD1 . 10105 1 391 . 1 1 36 36 ILE HD13 H 1 0.746 0.030 . 1 . . . . 36 ILE HD1 . 10105 1 392 . 1 1 36 36 ILE C C 13 177.403 0.300 . 1 . . . . 36 ILE C . 10105 1 393 . 1 1 36 36 ILE CA C 13 64.920 0.300 . 1 . . . . 36 ILE CA . 10105 1 394 . 1 1 36 36 ILE CB C 13 36.633 0.300 . 1 . . . . 36 ILE CB . 10105 1 395 . 1 1 36 36 ILE CG1 C 13 29.492 0.300 . 1 . . . . 36 ILE CG1 . 10105 1 396 . 1 1 36 36 ILE CG2 C 13 16.852 0.300 . 1 . . . . 36 ILE CG2 . 10105 1 397 . 1 1 36 36 ILE CD1 C 13 13.239 0.300 . 1 . . . . 36 ILE CD1 . 10105 1 398 . 1 1 36 36 ILE N N 15 122.929 0.300 . 1 . . . . 36 ILE N . 10105 1 399 . 1 1 37 37 TRP H H 1 8.568 0.030 . 1 . . . . 37 TRP H . 10105 1 400 . 1 1 37 37 TRP HA H 1 4.421 0.030 . 1 . . . . 37 TRP HA . 10105 1 401 . 1 1 37 37 TRP HB2 H 1 3.411 0.030 . 2 . . . . 37 TRP HB2 . 10105 1 402 . 1 1 37 37 TRP HB3 H 1 3.552 0.030 . 2 . . . . 37 TRP HB3 . 10105 1 403 . 1 1 37 37 TRP HD1 H 1 7.021 0.030 . 1 . . . . 37 TRP HD1 . 10105 1 404 . 1 1 37 37 TRP HE1 H 1 9.774 0.030 . 1 . . . . 37 TRP HE1 . 10105 1 405 . 1 1 37 37 TRP HE3 H 1 7.466 0.030 . 1 . . . . 37 TRP HE3 . 10105 1 406 . 1 1 37 37 TRP HZ2 H 1 7.404 0.030 . 1 . . . . 37 TRP HZ2 . 10105 1 407 . 1 1 37 37 TRP HZ3 H 1 6.988 0.030 . 1 . . . . 37 TRP HZ3 . 10105 1 408 . 1 1 37 37 TRP HH2 H 1 7.255 0.030 . 1 . . . . 37 TRP HH2 . 10105 1 409 . 1 1 37 37 TRP C C 13 178.951 0.300 . 1 . . . . 37 TRP C . 10105 1 410 . 1 1 37 37 TRP CA C 13 60.275 0.300 . 1 . . . . 37 TRP CA . 10105 1 411 . 1 1 37 37 TRP CB C 13 28.687 0.300 . 1 . . . . 37 TRP CB . 10105 1 412 . 1 1 37 37 TRP CD1 C 13 123.816 0.300 . 1 . . . . 37 TRP CD1 . 10105 1 413 . 1 1 37 37 TRP CE3 C 13 120.660 0.300 . 1 . . . . 37 TRP CE3 . 10105 1 414 . 1 1 37 37 TRP CZ2 C 13 114.607 0.300 . 1 . . . . 37 TRP CZ2 . 10105 1 415 . 1 1 37 37 TRP CZ3 C 13 122.209 0.300 . 1 . . . . 37 TRP CZ3 . 10105 1 416 . 1 1 37 37 TRP CH2 C 13 125.043 0.300 . 1 . . . . 37 TRP CH2 . 10105 1 417 . 1 1 37 37 TRP N N 15 121.321 0.300 . 1 . . . . 37 TRP N . 10105 1 418 . 1 1 37 37 TRP NE1 N 15 126.439 0.300 . 1 . . . . 37 TRP NE1 . 10105 1 419 . 1 1 38 38 HIS H H 1 8.770 0.030 . 1 . . . . 38 HIS H . 10105 1 420 . 1 1 38 38 HIS HA H 1 4.363 0.030 . 1 . . . . 38 HIS HA . 10105 1 421 . 1 1 38 38 HIS HB2 H 1 3.402 0.030 . 1 . . . . 38 HIS HB2 . 10105 1 422 . 1 1 38 38 HIS HB3 H 1 3.402 0.030 . 1 . . . . 38 HIS HB3 . 10105 1 423 . 1 1 38 38 HIS HD2 H 1 7.288 0.030 . 1 . . . . 38 HIS HD2 . 10105 1 424 . 1 1 38 38 HIS C C 13 176.513 0.300 . 1 . . . . 38 HIS C . 10105 1 425 . 1 1 38 38 HIS CA C 13 60.014 0.300 . 1 . . . . 38 HIS CA . 10105 1 426 . 1 1 38 38 HIS CB C 13 29.498 0.300 . 1 . . . . 38 HIS CB . 10105 1 427 . 1 1 38 38 HIS CD2 C 13 120.202 0.300 . 1 . . . . 38 HIS CD2 . 10105 1 428 . 1 1 38 38 HIS N N 15 118.211 0.300 . 1 . . . . 38 HIS N . 10105 1 429 . 1 1 39 39 TYR H H 1 8.251 0.030 . 1 . . . . 39 TYR H . 10105 1 430 . 1 1 39 39 TYR HA H 1 4.026 0.030 . 1 . . . . 39 TYR HA . 10105 1 431 . 1 1 39 39 TYR HB2 H 1 3.437 0.030 . 2 . . . . 39 TYR HB2 . 10105 1 432 . 1 1 39 39 TYR HB3 H 1 3.058 0.030 . 2 . . . . 39 TYR HB3 . 10105 1 433 . 1 1 39 39 TYR HD1 H 1 6.931 0.030 . 1 . . . . 39 TYR HD1 . 10105 1 434 . 1 1 39 39 TYR HD2 H 1 6.931 0.030 . 1 . . . . 39 TYR HD2 . 10105 1 435 . 1 1 39 39 TYR HE1 H 1 6.827 0.030 . 1 . . . . 39 TYR HE1 . 10105 1 436 . 1 1 39 39 TYR HE2 H 1 6.827 0.030 . 1 . . . . 39 TYR HE2 . 10105 1 437 . 1 1 39 39 TYR C C 13 177.146 0.300 . 1 . . . . 39 TYR C . 10105 1 438 . 1 1 39 39 TYR CA C 13 61.959 0.300 . 1 . . . . 39 TYR CA . 10105 1 439 . 1 1 39 39 TYR CB C 13 38.494 0.300 . 1 . . . . 39 TYR CB . 10105 1 440 . 1 1 39 39 TYR CD1 C 13 132.741 0.300 . 1 . . . . 39 TYR CD1 . 10105 1 441 . 1 1 39 39 TYR CD2 C 13 132.741 0.300 . 1 . . . . 39 TYR CD2 . 10105 1 442 . 1 1 39 39 TYR CE1 C 13 118.136 0.300 . 1 . . . . 39 TYR CE1 . 10105 1 443 . 1 1 39 39 TYR CE2 C 13 118.136 0.300 . 1 . . . . 39 TYR CE2 . 10105 1 444 . 1 1 39 39 TYR N N 15 123.444 0.300 . 1 . . . . 39 TYR N . 10105 1 445 . 1 1 40 40 VAL H H 1 8.282 0.030 . 1 . . . . 40 VAL H . 10105 1 446 . 1 1 40 40 VAL HA H 1 3.426 0.030 . 1 . . . . 40 VAL HA . 10105 1 447 . 1 1 40 40 VAL HB H 1 2.167 0.030 . 1 . . . . 40 VAL HB . 10105 1 448 . 1 1 40 40 VAL HG11 H 1 0.729 0.030 . 1 . . . . 40 VAL HG1 . 10105 1 449 . 1 1 40 40 VAL HG12 H 1 0.729 0.030 . 1 . . . . 40 VAL HG1 . 10105 1 450 . 1 1 40 40 VAL HG13 H 1 0.729 0.030 . 1 . . . . 40 VAL HG1 . 10105 1 451 . 1 1 40 40 VAL HG21 H 1 0.317 0.030 . 1 . . . . 40 VAL HG2 . 10105 1 452 . 1 1 40 40 VAL HG22 H 1 0.317 0.030 . 1 . . . . 40 VAL HG2 . 10105 1 453 . 1 1 40 40 VAL HG23 H 1 0.317 0.030 . 1 . . . . 40 VAL HG2 . 10105 1 454 . 1 1 40 40 VAL C C 13 178.427 0.300 . 1 . . . . 40 VAL C . 10105 1 455 . 1 1 40 40 VAL CA C 13 66.361 0.300 . 1 . . . . 40 VAL CA . 10105 1 456 . 1 1 40 40 VAL CB C 13 31.984 0.300 . 1 . . . . 40 VAL CB . 10105 1 457 . 1 1 40 40 VAL CG1 C 13 22.123 0.300 . 2 . . . . 40 VAL CG1 . 10105 1 458 . 1 1 40 40 VAL CG2 C 13 22.474 0.300 . 2 . . . . 40 VAL CG2 . 10105 1 459 . 1 1 40 40 VAL N N 15 118.317 0.300 . 1 . . . . 40 VAL N . 10105 1 460 . 1 1 41 41 LYS H H 1 8.092 0.030 . 1 . . . . 41 LYS H . 10105 1 461 . 1 1 41 41 LYS HA H 1 4.112 0.030 . 1 . . . . 41 LYS HA . 10105 1 462 . 1 1 41 41 LYS HB2 H 1 1.871 0.030 . 1 . . . . 41 LYS HB2 . 10105 1 463 . 1 1 41 41 LYS HB3 H 1 1.871 0.030 . 1 . . . . 41 LYS HB3 . 10105 1 464 . 1 1 41 41 LYS HG2 H 1 1.517 0.030 . 2 . . . . 41 LYS HG2 . 10105 1 465 . 1 1 41 41 LYS HG3 H 1 1.350 0.030 . 2 . . . . 41 LYS HG3 . 10105 1 466 . 1 1 41 41 LYS HD2 H 1 1.648 0.030 . 1 . . . . 41 LYS HD2 . 10105 1 467 . 1 1 41 41 LYS HD3 H 1 1.648 0.030 . 1 . . . . 41 LYS HD3 . 10105 1 468 . 1 1 41 41 LYS HE2 H 1 2.884 0.030 . 1 . . . . 41 LYS HE2 . 10105 1 469 . 1 1 41 41 LYS HE3 H 1 2.884 0.030 . 1 . . . . 41 LYS HE3 . 10105 1 470 . 1 1 41 41 LYS C C 13 180.317 0.300 . 1 . . . . 41 LYS C . 10105 1 471 . 1 1 41 41 LYS CA C 13 59.360 0.300 . 1 . . . . 41 LYS CA . 10105 1 472 . 1 1 41 41 LYS CB C 13 32.232 0.300 . 1 . . . . 41 LYS CB . 10105 1 473 . 1 1 41 41 LYS CG C 13 25.213 0.300 . 1 . . . . 41 LYS CG . 10105 1 474 . 1 1 41 41 LYS CD C 13 29.079 0.300 . 1 . . . . 41 LYS CD . 10105 1 475 . 1 1 41 41 LYS CE C 13 42.112 0.300 . 1 . . . . 41 LYS CE . 10105 1 476 . 1 1 41 41 LYS N N 15 120.186 0.300 . 1 . . . . 41 LYS N . 10105 1 477 . 1 1 42 42 ALA H H 1 8.699 0.030 . 1 . . . . 42 ALA H . 10105 1 478 . 1 1 42 42 ALA HA H 1 4.035 0.030 . 1 . . . . 42 ALA HA . 10105 1 479 . 1 1 42 42 ALA HB1 H 1 1.297 0.030 . 1 . . . . 42 ALA HB . 10105 1 480 . 1 1 42 42 ALA HB2 H 1 1.297 0.030 . 1 . . . . 42 ALA HB . 10105 1 481 . 1 1 42 42 ALA HB3 H 1 1.297 0.030 . 1 . . . . 42 ALA HB . 10105 1 482 . 1 1 42 42 ALA C C 13 179.854 0.300 . 1 . . . . 42 ALA C . 10105 1 483 . 1 1 42 42 ALA CA C 13 54.898 0.300 . 1 . . . . 42 ALA CA . 10105 1 484 . 1 1 42 42 ALA CB C 13 18.107 0.300 . 1 . . . . 42 ALA CB . 10105 1 485 . 1 1 42 42 ALA N N 15 123.717 0.300 . 1 . . . . 42 ALA N . 10105 1 486 . 1 1 43 43 ARG H H 1 7.588 0.030 . 1 . . . . 43 ARG H . 10105 1 487 . 1 1 43 43 ARG HA H 1 4.178 0.030 . 1 . . . . 43 ARG HA . 10105 1 488 . 1 1 43 43 ARG HB2 H 1 1.942 0.030 . 2 . . . . 43 ARG HB2 . 10105 1 489 . 1 1 43 43 ARG HB3 H 1 1.345 0.030 . 2 . . . . 43 ARG HB3 . 10105 1 490 . 1 1 43 43 ARG HG2 H 1 1.242 0.030 . 2 . . . . 43 ARG HG2 . 10105 1 491 . 1 1 43 43 ARG HG3 H 1 1.051 0.030 . 2 . . . . 43 ARG HG3 . 10105 1 492 . 1 1 43 43 ARG HD2 H 1 2.816 0.030 . 2 . . . . 43 ARG HD2 . 10105 1 493 . 1 1 43 43 ARG HD3 H 1 2.460 0.030 . 2 . . . . 43 ARG HD3 . 10105 1 494 . 1 1 43 43 ARG C C 13 174.367 0.300 . 1 . . . . 43 ARG C . 10105 1 495 . 1 1 43 43 ARG CA C 13 55.128 0.300 . 1 . . . . 43 ARG CA . 10105 1 496 . 1 1 43 43 ARG CB C 13 29.396 0.300 . 1 . . . . 43 ARG CB . 10105 1 497 . 1 1 43 43 ARG CG C 13 27.061 0.300 . 1 . . . . 43 ARG CG . 10105 1 498 . 1 1 43 43 ARG CD C 13 42.399 0.300 . 1 . . . . 43 ARG CD . 10105 1 499 . 1 1 43 43 ARG N N 15 114.633 0.300 . 1 . . . . 43 ARG N . 10105 1 500 . 1 1 44 44 LYS H H 1 7.756 0.030 . 1 . . . . 44 LYS H . 10105 1 501 . 1 1 44 44 LYS HA H 1 4.234 0.030 . 1 . . . . 44 LYS HA . 10105 1 502 . 1 1 44 44 LYS HB2 H 1 2.066 0.030 . 2 . . . . 44 LYS HB2 . 10105 1 503 . 1 1 44 44 LYS HB3 H 1 1.984 0.030 . 2 . . . . 44 LYS HB3 . 10105 1 504 . 1 1 44 44 LYS HG2 H 1 1.411 0.030 . 1 . . . . 44 LYS HG2 . 10105 1 505 . 1 1 44 44 LYS HG3 H 1 1.411 0.030 . 1 . . . . 44 LYS HG3 . 10105 1 506 . 1 1 44 44 LYS HD2 H 1 1.727 0.030 . 1 . . . . 44 LYS HD2 . 10105 1 507 . 1 1 44 44 LYS HD3 H 1 1.727 0.030 . 1 . . . . 44 LYS HD3 . 10105 1 508 . 1 1 44 44 LYS HE2 H 1 3.058 0.030 . 1 . . . . 44 LYS HE2 . 10105 1 509 . 1 1 44 44 LYS HE3 H 1 3.058 0.030 . 1 . . . . 44 LYS HE3 . 10105 1 510 . 1 1 44 44 LYS C C 13 177.196 0.300 . 1 . . . . 44 LYS C . 10105 1 511 . 1 1 44 44 LYS CA C 13 57.131 0.300 . 1 . . . . 44 LYS CA . 10105 1 512 . 1 1 44 44 LYS CB C 13 28.707 0.300 . 1 . . . . 44 LYS CB . 10105 1 513 . 1 1 44 44 LYS CG C 13 25.183 0.300 . 1 . . . . 44 LYS CG . 10105 1 514 . 1 1 44 44 LYS CD C 13 29.357 0.300 . 1 . . . . 44 LYS CD . 10105 1 515 . 1 1 44 44 LYS CE C 13 42.399 0.300 . 1 . . . . 44 LYS CE . 10105 1 516 . 1 1 44 44 LYS N N 15 117.026 0.300 . 1 . . . . 44 LYS N . 10105 1 517 . 1 1 45 45 LEU H H 1 8.031 0.030 . 1 . . . . 45 LEU H . 10105 1 518 . 1 1 45 45 LEU HA H 1 4.550 0.030 . 1 . . . . 45 LEU HA . 10105 1 519 . 1 1 45 45 LEU HB2 H 1 2.843 0.030 . 2 . . . . 45 LEU HB2 . 10105 1 520 . 1 1 45 45 LEU HB3 H 1 1.677 0.030 . 2 . . . . 45 LEU HB3 . 10105 1 521 . 1 1 45 45 LEU HG H 1 1.565 0.030 . 1 . . . . 45 LEU HG . 10105 1 522 . 1 1 45 45 LEU HD11 H 1 1.126 0.030 . 1 . . . . 45 LEU HD1 . 10105 1 523 . 1 1 45 45 LEU HD12 H 1 1.126 0.030 . 1 . . . . 45 LEU HD1 . 10105 1 524 . 1 1 45 45 LEU HD13 H 1 1.126 0.030 . 1 . . . . 45 LEU HD1 . 10105 1 525 . 1 1 45 45 LEU HD21 H 1 0.937 0.030 . 1 . . . . 45 LEU HD2 . 10105 1 526 . 1 1 45 45 LEU HD22 H 1 0.937 0.030 . 1 . . . . 45 LEU HD2 . 10105 1 527 . 1 1 45 45 LEU HD23 H 1 0.937 0.030 . 1 . . . . 45 LEU HD2 . 10105 1 528 . 1 1 45 45 LEU C C 13 177.769 0.300 . 1 . . . . 45 LEU C . 10105 1 529 . 1 1 45 45 LEU CA C 13 55.185 0.300 . 1 . . . . 45 LEU CA . 10105 1 530 . 1 1 45 45 LEU CB C 13 41.369 0.300 . 1 . . . . 45 LEU CB . 10105 1 531 . 1 1 45 45 LEU CG C 13 26.831 0.300 . 1 . . . . 45 LEU CG . 10105 1 532 . 1 1 45 45 LEU CD1 C 13 26.222 0.300 . 2 . . . . 45 LEU CD1 . 10105 1 533 . 1 1 45 45 LEU CD2 C 13 21.678 0.300 . 2 . . . . 45 LEU CD2 . 10105 1 534 . 1 1 45 45 LEU N N 15 116.522 0.300 . 1 . . . . 45 LEU N . 10105 1 535 . 1 1 46 46 GLN H H 1 8.752 0.030 . 1 . . . . 46 GLN H . 10105 1 536 . 1 1 46 46 GLN HA H 1 4.203 0.030 . 1 . . . . 46 GLN HA . 10105 1 537 . 1 1 46 46 GLN HB2 H 1 2.159 0.030 . 1 . . . . 46 GLN HB2 . 10105 1 538 . 1 1 46 46 GLN HB3 H 1 2.159 0.030 . 1 . . . . 46 GLN HB3 . 10105 1 539 . 1 1 46 46 GLN HG2 H 1 2.607 0.030 . 2 . . . . 46 GLN HG2 . 10105 1 540 . 1 1 46 46 GLN HG3 H 1 2.501 0.030 . 2 . . . . 46 GLN HG3 . 10105 1 541 . 1 1 46 46 GLN HE21 H 1 7.942 0.030 . 2 . . . . 46 GLN HE21 . 10105 1 542 . 1 1 46 46 GLN HE22 H 1 7.047 0.030 . 2 . . . . 46 GLN HE22 . 10105 1 543 . 1 1 46 46 GLN C C 13 175.476 0.300 . 1 . . . . 46 GLN C . 10105 1 544 . 1 1 46 46 GLN CA C 13 57.849 0.300 . 1 . . . . 46 GLN CA . 10105 1 545 . 1 1 46 46 GLN CB C 13 29.033 0.300 . 1 . . . . 46 GLN CB . 10105 1 546 . 1 1 46 46 GLN CG C 13 34.020 0.300 . 1 . . . . 46 GLN CG . 10105 1 547 . 1 1 46 46 GLN N N 15 121.935 0.300 . 1 . . . . 46 GLN N . 10105 1 548 . 1 1 46 46 GLN NE2 N 15 113.353 0.300 . 1 . . . . 46 GLN NE2 . 10105 1 549 . 1 1 47 47 ASN H H 1 8.892 0.030 . 1 . . . . 47 ASN H . 10105 1 550 . 1 1 47 47 ASN HA H 1 4.707 0.030 . 1 . . . . 47 ASN HA . 10105 1 551 . 1 1 47 47 ASN HB2 H 1 3.423 0.030 . 2 . . . . 47 ASN HB2 . 10105 1 552 . 1 1 47 47 ASN HB3 H 1 2.257 0.030 . 2 . . . . 47 ASN HB3 . 10105 1 553 . 1 1 47 47 ASN HD21 H 1 8.045 0.030 . 2 . . . . 47 ASN HD21 . 10105 1 554 . 1 1 47 47 ASN HD22 H 1 7.355 0.030 . 2 . . . . 47 ASN HD22 . 10105 1 555 . 1 1 47 47 ASN C C 13 174.598 0.300 . 1 . . . . 47 ASN C . 10105 1 556 . 1 1 47 47 ASN CA C 13 52.303 0.300 . 1 . . . . 47 ASN CA . 10105 1 557 . 1 1 47 47 ASN CB C 13 39.799 0.300 . 1 . . . . 47 ASN CB . 10105 1 558 . 1 1 47 47 ASN N N 15 128.377 0.300 . 1 . . . . 47 ASN N . 10105 1 559 . 1 1 47 47 ASN ND2 N 15 116.029 0.300 . 1 . . . . 47 ASN ND2 . 10105 1 560 . 1 1 48 48 PRO HA H 1 4.381 0.030 . 1 . . . . 48 PRO HA . 10105 1 561 . 1 1 48 48 PRO HB2 H 1 2.324 0.030 . 2 . . . . 48 PRO HB2 . 10105 1 562 . 1 1 48 48 PRO HB3 H 1 1.953 0.030 . 2 . . . . 48 PRO HB3 . 10105 1 563 . 1 1 48 48 PRO HG2 H 1 2.090 0.030 . 2 . . . . 48 PRO HG2 . 10105 1 564 . 1 1 48 48 PRO HG3 H 1 1.985 0.030 . 2 . . . . 48 PRO HG3 . 10105 1 565 . 1 1 48 48 PRO HD2 H 1 4.005 0.030 . 2 . . . . 48 PRO HD2 . 10105 1 566 . 1 1 48 48 PRO HD3 H 1 3.801 0.030 . 2 . . . . 48 PRO HD3 . 10105 1 567 . 1 1 48 48 PRO C C 13 177.159 0.300 . 1 . . . . 48 PRO C . 10105 1 568 . 1 1 48 48 PRO CA C 13 64.374 0.300 . 1 . . . . 48 PRO CA . 10105 1 569 . 1 1 48 48 PRO CB C 13 32.117 0.300 . 1 . . . . 48 PRO CB . 10105 1 570 . 1 1 48 48 PRO CG C 13 27.163 0.300 . 1 . . . . 48 PRO CG . 10105 1 571 . 1 1 48 48 PRO CD C 13 51.050 0.300 . 1 . . . . 48 PRO CD . 10105 1 572 . 1 1 49 49 ASN H H 1 7.950 0.030 . 1 . . . . 49 ASN H . 10105 1 573 . 1 1 49 49 ASN HA H 1 4.749 0.030 . 1 . . . . 49 ASN HA . 10105 1 574 . 1 1 49 49 ASN HB2 H 1 2.871 0.030 . 2 . . . . 49 ASN HB2 . 10105 1 575 . 1 1 49 49 ASN HB3 H 1 2.698 0.030 . 2 . . . . 49 ASN HB3 . 10105 1 576 . 1 1 49 49 ASN HD21 H 1 7.679 0.030 . 2 . . . . 49 ASN HD21 . 10105 1 577 . 1 1 49 49 ASN HD22 H 1 7.040 0.030 . 2 . . . . 49 ASN HD22 . 10105 1 578 . 1 1 49 49 ASN C C 13 175.159 0.300 . 1 . . . . 49 ASN C . 10105 1 579 . 1 1 49 49 ASN CA C 13 54.125 0.300 . 1 . . . . 49 ASN CA . 10105 1 580 . 1 1 49 49 ASN CB C 13 39.753 0.300 . 1 . . . . 49 ASN CB . 10105 1 581 . 1 1 49 49 ASN N N 15 115.194 0.300 . 1 . . . . 49 ASN N . 10105 1 582 . 1 1 49 49 ASN ND2 N 15 114.107 0.300 . 1 . . . . 49 ASN ND2 . 10105 1 583 . 1 1 50 50 ASP H H 1 7.601 0.030 . 1 . . . . 50 ASP H . 10105 1 584 . 1 1 50 50 ASP HA H 1 5.004 0.030 . 1 . . . . 50 ASP HA . 10105 1 585 . 1 1 50 50 ASP HB2 H 1 2.924 0.030 . 2 . . . . 50 ASP HB2 . 10105 1 586 . 1 1 50 50 ASP HB3 H 1 2.539 0.030 . 2 . . . . 50 ASP HB3 . 10105 1 587 . 1 1 50 50 ASP C C 13 173.452 0.300 . 1 . . . . 50 ASP C . 10105 1 588 . 1 1 50 50 ASP CA C 13 51.347 0.300 . 1 . . . . 50 ASP CA . 10105 1 589 . 1 1 50 50 ASP CB C 13 41.339 0.300 . 1 . . . . 50 ASP CB . 10105 1 590 . 1 1 50 50 ASP N N 15 117.901 0.300 . 1 . . . . 50 ASP N . 10105 1 591 . 1 1 51 51 PRO HA H 1 4.909 0.030 . 1 . . . . 51 PRO HA . 10105 1 592 . 1 1 51 51 PRO HB2 H 1 2.409 0.030 . 2 . . . . 51 PRO HB2 . 10105 1 593 . 1 1 51 51 PRO HB3 H 1 2.123 0.030 . 2 . . . . 51 PRO HB3 . 10105 1 594 . 1 1 51 51 PRO HG2 H 1 2.060 0.030 . 2 . . . . 51 PRO HG2 . 10105 1 595 . 1 1 51 51 PRO HG3 H 1 2.014 0.030 . 2 . . . . 51 PRO HG3 . 10105 1 596 . 1 1 51 51 PRO HD2 H 1 3.952 0.030 . 2 . . . . 51 PRO HD2 . 10105 1 597 . 1 1 51 51 PRO HD3 H 1 3.613 0.030 . 2 . . . . 51 PRO HD3 . 10105 1 598 . 1 1 51 51 PRO C C 13 177.208 0.300 . 1 . . . . 51 PRO C . 10105 1 599 . 1 1 51 51 PRO CA C 13 64.012 0.300 . 1 . . . . 51 PRO CA . 10105 1 600 . 1 1 51 51 PRO CB C 13 32.105 0.300 . 1 . . . . 51 PRO CB . 10105 1 601 . 1 1 51 51 PRO CG C 13 26.743 0.300 . 1 . . . . 51 PRO CG . 10105 1 602 . 1 1 51 51 PRO CD C 13 50.886 0.300 . 1 . . . . 51 PRO CD . 10105 1 603 . 1 1 52 52 SER H H 1 8.475 0.030 . 1 . . . . 52 SER H . 10105 1 604 . 1 1 52 52 SER HA H 1 4.519 0.030 . 1 . . . . 52 SER HA . 10105 1 605 . 1 1 52 52 SER HB2 H 1 4.015 0.030 . 2 . . . . 52 SER HB2 . 10105 1 606 . 1 1 52 52 SER HB3 H 1 3.905 0.030 . 2 . . . . 52 SER HB3 . 10105 1 607 . 1 1 52 52 SER C C 13 174.720 0.300 . 1 . . . . 52 SER C . 10105 1 608 . 1 1 52 52 SER CA C 13 60.881 0.300 . 1 . . . . 52 SER CA . 10105 1 609 . 1 1 52 52 SER CB C 13 63.495 0.300 . 1 . . . . 52 SER CB . 10105 1 610 . 1 1 52 52 SER N N 15 114.987 0.300 . 1 . . . . 52 SER N . 10105 1 611 . 1 1 53 53 PHE H H 1 8.624 0.030 . 1 . . . . 53 PHE H . 10105 1 612 . 1 1 53 53 PHE HA H 1 5.106 0.030 . 1 . . . . 53 PHE HA . 10105 1 613 . 1 1 53 53 PHE HB2 H 1 2.953 0.030 . 2 . . . . 53 PHE HB2 . 10105 1 614 . 1 1 53 53 PHE HB3 H 1 2.628 0.030 . 2 . . . . 53 PHE HB3 . 10105 1 615 . 1 1 53 53 PHE HD1 H 1 6.872 0.030 . 1 . . . . 53 PHE HD1 . 10105 1 616 . 1 1 53 53 PHE HD2 H 1 6.872 0.030 . 1 . . . . 53 PHE HD2 . 10105 1 617 . 1 1 53 53 PHE HE1 H 1 7.251 0.030 . 1 . . . . 53 PHE HE1 . 10105 1 618 . 1 1 53 53 PHE HE2 H 1 7.251 0.030 . 1 . . . . 53 PHE HE2 . 10105 1 619 . 1 1 53 53 PHE HZ H 1 7.276 0.030 . 1 . . . . 53 PHE HZ . 10105 1 620 . 1 1 53 53 PHE C C 13 174.720 0.300 . 1 . . . . 53 PHE C . 10105 1 621 . 1 1 53 53 PHE CA C 13 57.281 0.300 . 1 . . . . 53 PHE CA . 10105 1 622 . 1 1 53 53 PHE CB C 13 43.498 0.300 . 1 . . . . 53 PHE CB . 10105 1 623 . 1 1 53 53 PHE CD1 C 13 132.060 0.300 . 1 . . . . 53 PHE CD1 . 10105 1 624 . 1 1 53 53 PHE CD2 C 13 132.060 0.300 . 1 . . . . 53 PHE CD2 . 10105 1 625 . 1 1 53 53 PHE CE1 C 13 131.489 0.300 . 1 . . . . 53 PHE CE1 . 10105 1 626 . 1 1 53 53 PHE CE2 C 13 131.489 0.300 . 1 . . . . 53 PHE CE2 . 10105 1 627 . 1 1 53 53 PHE CZ C 13 129.694 0.300 . 1 . . . . 53 PHE CZ . 10105 1 628 . 1 1 53 53 PHE N N 15 122.337 0.300 . 1 . . . . 53 PHE N . 10105 1 629 . 1 1 54 54 PHE H H 1 8.549 0.030 . 1 . . . . 54 PHE H . 10105 1 630 . 1 1 54 54 PHE HA H 1 5.090 0.030 . 1 . . . . 54 PHE HA . 10105 1 631 . 1 1 54 54 PHE HB2 H 1 2.705 0.030 . 2 . . . . 54 PHE HB2 . 10105 1 632 . 1 1 54 54 PHE HB3 H 1 2.342 0.030 . 2 . . . . 54 PHE HB3 . 10105 1 633 . 1 1 54 54 PHE HD1 H 1 6.029 0.030 . 1 . . . . 54 PHE HD1 . 10105 1 634 . 1 1 54 54 PHE HD2 H 1 6.029 0.030 . 1 . . . . 54 PHE HD2 . 10105 1 635 . 1 1 54 54 PHE HE1 H 1 6.658 0.030 . 1 . . . . 54 PHE HE1 . 10105 1 636 . 1 1 54 54 PHE HE2 H 1 6.658 0.030 . 1 . . . . 54 PHE HE2 . 10105 1 637 . 1 1 54 54 PHE HZ H 1 6.375 0.030 . 1 . . . . 54 PHE HZ . 10105 1 638 . 1 1 54 54 PHE C C 13 172.867 0.300 . 1 . . . . 54 PHE C . 10105 1 639 . 1 1 54 54 PHE CA C 13 54.885 0.300 . 1 . . . . 54 PHE CA . 10105 1 640 . 1 1 54 54 PHE CB C 13 42.428 0.300 . 1 . . . . 54 PHE CB . 10105 1 641 . 1 1 54 54 PHE CD1 C 13 133.175 0.300 . 1 . . . . 54 PHE CD1 . 10105 1 642 . 1 1 54 54 PHE CD2 C 13 133.175 0.300 . 1 . . . . 54 PHE CD2 . 10105 1 643 . 1 1 54 54 PHE CE1 C 13 129.498 0.300 . 1 . . . . 54 PHE CE1 . 10105 1 644 . 1 1 54 54 PHE CE2 C 13 129.498 0.300 . 1 . . . . 54 PHE CE2 . 10105 1 645 . 1 1 54 54 PHE CZ C 13 128.274 0.300 . 1 . . . . 54 PHE CZ . 10105 1 646 . 1 1 54 54 PHE N N 15 114.081 0.300 . 1 . . . . 54 PHE N . 10105 1 647 . 1 1 55 55 ASN H H 1 8.980 0.030 . 1 . . . . 55 ASN H . 10105 1 648 . 1 1 55 55 ASN HA H 1 5.015 0.030 . 1 . . . . 55 ASN HA . 10105 1 649 . 1 1 55 55 ASN HB2 H 1 2.853 0.030 . 1 . . . . 55 ASN HB2 . 10105 1 650 . 1 1 55 55 ASN HB3 H 1 2.853 0.030 . 1 . . . . 55 ASN HB3 . 10105 1 651 . 1 1 55 55 ASN HD21 H 1 7.622 0.030 . 2 . . . . 55 ASN HD21 . 10105 1 652 . 1 1 55 55 ASN HD22 H 1 6.874 0.030 . 2 . . . . 55 ASN HD22 . 10105 1 653 . 1 1 55 55 ASN C C 13 174.062 0.300 . 1 . . . . 55 ASN C . 10105 1 654 . 1 1 55 55 ASN CA C 13 52.373 0.300 . 1 . . . . 55 ASN CA . 10105 1 655 . 1 1 55 55 ASN CB C 13 39.504 0.300 . 1 . . . . 55 ASN CB . 10105 1 656 . 1 1 55 55 ASN N N 15 119.955 0.300 . 1 . . . . 55 ASN N . 10105 1 657 . 1 1 55 55 ASN ND2 N 15 112.123 0.300 . 1 . . . . 55 ASN ND2 . 10105 1 658 . 1 1 56 56 CYS H H 1 8.435 0.030 . 1 . . . . 56 CYS H . 10105 1 659 . 1 1 56 56 CYS HA H 1 4.454 0.030 . 1 . . . . 56 CYS HA . 10105 1 660 . 1 1 56 56 CYS HB2 H 1 3.076 0.030 . 1 . . . . 56 CYS HB2 . 10105 1 661 . 1 1 56 56 CYS HB3 H 1 3.076 0.030 . 1 . . . . 56 CYS HB3 . 10105 1 662 . 1 1 56 56 CYS C C 13 176.001 0.300 . 1 . . . . 56 CYS C . 10105 1 663 . 1 1 56 56 CYS CA C 13 58.528 0.300 . 1 . . . . 56 CYS CA . 10105 1 664 . 1 1 56 56 CYS CB C 13 28.650 0.300 . 1 . . . . 56 CYS CB . 10105 1 665 . 1 1 56 56 CYS N N 15 118.071 0.300 . 1 . . . . 56 CYS N . 10105 1 666 . 1 1 57 57 ASP H H 1 7.454 0.030 . 1 . . . . 57 ASP H . 10105 1 667 . 1 1 57 57 ASP HA H 1 4.714 0.030 . 1 . . . . 57 ASP HA . 10105 1 668 . 1 1 57 57 ASP HB2 H 1 3.334 0.030 . 2 . . . . 57 ASP HB2 . 10105 1 669 . 1 1 57 57 ASP HB3 H 1 2.918 0.030 . 2 . . . . 57 ASP HB3 . 10105 1 670 . 1 1 57 57 ASP C C 13 175.037 0.300 . 1 . . . . 57 ASP C . 10105 1 671 . 1 1 57 57 ASP CA C 13 52.586 0.300 . 1 . . . . 57 ASP CA . 10105 1 672 . 1 1 57 57 ASP CB C 13 40.232 0.300 . 1 . . . . 57 ASP CB . 10105 1 673 . 1 1 57 57 ASP N N 15 124.538 0.300 . 1 . . . . 57 ASP N . 10105 1 674 . 1 1 58 58 ALA H H 1 8.611 0.030 . 1 . . . . 58 ALA H . 10105 1 675 . 1 1 58 58 ALA HA H 1 3.989 0.030 . 1 . . . . 58 ALA HA . 10105 1 676 . 1 1 58 58 ALA HB1 H 1 1.469 0.030 . 1 . . . . 58 ALA HB . 10105 1 677 . 1 1 58 58 ALA HB2 H 1 1.469 0.030 . 1 . . . . 58 ALA HB . 10105 1 678 . 1 1 58 58 ALA HB3 H 1 1.469 0.030 . 1 . . . . 58 ALA HB . 10105 1 679 . 1 1 58 58 ALA C C 13 180.561 0.300 . 1 . . . . 58 ALA C . 10105 1 680 . 1 1 58 58 ALA CA C 13 56.338 0.300 . 1 . . . . 58 ALA CA . 10105 1 681 . 1 1 58 58 ALA CB C 13 17.963 0.300 . 1 . . . . 58 ALA CB . 10105 1 682 . 1 1 58 58 ALA N N 15 122.569 0.300 . 1 . . . . 58 ALA N . 10105 1 683 . 1 1 59 59 ALA H H 1 8.062 0.030 . 1 . . . . 59 ALA H . 10105 1 684 . 1 1 59 59 ALA HA H 1 4.031 0.030 . 1 . . . . 59 ALA HA . 10105 1 685 . 1 1 59 59 ALA HB1 H 1 1.457 0.030 . 1 . . . . 59 ALA HB . 10105 1 686 . 1 1 59 59 ALA HB2 H 1 1.457 0.030 . 1 . . . . 59 ALA HB . 10105 1 687 . 1 1 59 59 ALA HB3 H 1 1.457 0.030 . 1 . . . . 59 ALA HB . 10105 1 688 . 1 1 59 59 ALA C C 13 181.086 0.300 . 1 . . . . 59 ALA C . 10105 1 689 . 1 1 59 59 ALA CA C 13 55.224 0.300 . 1 . . . . 59 ALA CA . 10105 1 690 . 1 1 59 59 ALA CB C 13 18.539 0.300 . 1 . . . . 59 ALA CB . 10105 1 691 . 1 1 59 59 ALA N N 15 119.993 0.300 . 1 . . . . 59 ALA N . 10105 1 692 . 1 1 60 60 LEU H H 1 8.534 0.030 . 1 . . . . 60 LEU H . 10105 1 693 . 1 1 60 60 LEU HA H 1 4.018 0.030 . 1 . . . . 60 LEU HA . 10105 1 694 . 1 1 60 60 LEU HB2 H 1 2.101 0.030 . 2 . . . . 60 LEU HB2 . 10105 1 695 . 1 1 60 60 LEU HB3 H 1 1.915 0.030 . 2 . . . . 60 LEU HB3 . 10105 1 696 . 1 1 60 60 LEU HG H 1 2.174 0.030 . 1 . . . . 60 LEU HG . 10105 1 697 . 1 1 60 60 LEU HD11 H 1 1.159 0.030 . 1 . . . . 60 LEU HD1 . 10105 1 698 . 1 1 60 60 LEU HD12 H 1 1.159 0.030 . 1 . . . . 60 LEU HD1 . 10105 1 699 . 1 1 60 60 LEU HD13 H 1 1.159 0.030 . 1 . . . . 60 LEU HD1 . 10105 1 700 . 1 1 60 60 LEU HD21 H 1 0.590 0.030 . 1 . . . . 60 LEU HD2 . 10105 1 701 . 1 1 60 60 LEU HD22 H 1 0.590 0.030 . 1 . . . . 60 LEU HD2 . 10105 1 702 . 1 1 60 60 LEU HD23 H 1 0.590 0.030 . 1 . . . . 60 LEU HD2 . 10105 1 703 . 1 1 60 60 LEU C C 13 180.013 0.300 . 1 . . . . 60 LEU C . 10105 1 704 . 1 1 60 60 LEU CA C 13 57.196 0.300 . 1 . . . . 60 LEU CA . 10105 1 705 . 1 1 60 60 LEU CB C 13 41.493 0.300 . 1 . . . . 60 LEU CB . 10105 1 706 . 1 1 60 60 LEU CG C 13 26.185 0.300 . 1 . . . . 60 LEU CG . 10105 1 707 . 1 1 60 60 LEU CD1 C 13 27.523 0.300 . 2 . . . . 60 LEU CD1 . 10105 1 708 . 1 1 60 60 LEU CD2 C 13 21.783 0.300 . 2 . . . . 60 LEU CD2 . 10105 1 709 . 1 1 60 60 LEU N N 15 117.002 0.300 . 1 . . . . 60 LEU N . 10105 1 710 . 1 1 61 61 GLN H H 1 9.293 0.030 . 1 . . . . 61 GLN H . 10105 1 711 . 1 1 61 61 GLN HA H 1 4.138 0.030 . 1 . . . . 61 GLN HA . 10105 1 712 . 1 1 61 61 GLN HB2 H 1 2.156 0.030 . 2 . . . . 61 GLN HB2 . 10105 1 713 . 1 1 61 61 GLN HB3 H 1 2.063 0.030 . 2 . . . . 61 GLN HB3 . 10105 1 714 . 1 1 61 61 GLN HG2 H 1 2.424 0.030 . 2 . . . . 61 GLN HG2 . 10105 1 715 . 1 1 61 61 GLN HG3 H 1 2.367 0.030 . 2 . . . . 61 GLN HG3 . 10105 1 716 . 1 1 61 61 GLN HE21 H 1 7.170 0.030 . 2 . . . . 61 GLN HE21 . 10105 1 717 . 1 1 61 61 GLN HE22 H 1 6.866 0.030 . 2 . . . . 61 GLN HE22 . 10105 1 718 . 1 1 61 61 GLN C C 13 179.463 0.300 . 1 . . . . 61 GLN C . 10105 1 719 . 1 1 61 61 GLN CA C 13 60.360 0.300 . 1 . . . . 61 GLN CA . 10105 1 720 . 1 1 61 61 GLN CB C 13 27.881 0.300 . 1 . . . . 61 GLN CB . 10105 1 721 . 1 1 61 61 GLN CG C 13 34.599 0.300 . 1 . . . . 61 GLN CG . 10105 1 722 . 1 1 61 61 GLN N N 15 123.162 0.300 . 1 . . . . 61 GLN N . 10105 1 723 . 1 1 61 61 GLN NE2 N 15 110.762 0.300 . 1 . . . . 61 GLN NE2 . 10105 1 724 . 1 1 62 62 LYS H H 1 7.450 0.030 . 1 . . . . 62 LYS H . 10105 1 725 . 1 1 62 62 LYS HA H 1 4.061 0.030 . 1 . . . . 62 LYS HA . 10105 1 726 . 1 1 62 62 LYS HB2 H 1 1.944 0.030 . 1 . . . . 62 LYS HB2 . 10105 1 727 . 1 1 62 62 LYS HB3 H 1 1.944 0.030 . 1 . . . . 62 LYS HB3 . 10105 1 728 . 1 1 62 62 LYS HG2 H 1 1.642 0.030 . 2 . . . . 62 LYS HG2 . 10105 1 729 . 1 1 62 62 LYS HG3 H 1 1.469 0.030 . 2 . . . . 62 LYS HG3 . 10105 1 730 . 1 1 62 62 LYS HD2 H 1 1.675 0.030 . 1 . . . . 62 LYS HD2 . 10105 1 731 . 1 1 62 62 LYS HD3 H 1 1.675 0.030 . 1 . . . . 62 LYS HD3 . 10105 1 732 . 1 1 62 62 LYS HE2 H 1 2.971 0.030 . 1 . . . . 62 LYS HE2 . 10105 1 733 . 1 1 62 62 LYS HE3 H 1 2.971 0.030 . 1 . . . . 62 LYS HE3 . 10105 1 734 . 1 1 62 62 LYS C C 13 177.805 0.300 . 1 . . . . 62 LYS C . 10105 1 735 . 1 1 62 62 LYS CA C 13 59.023 0.300 . 1 . . . . 62 LYS CA . 10105 1 736 . 1 1 62 62 LYS CB C 13 32.089 0.300 . 1 . . . . 62 LYS CB . 10105 1 737 . 1 1 62 62 LYS CG C 13 25.342 0.300 . 1 . . . . 62 LYS CG . 10105 1 738 . 1 1 62 62 LYS CD C 13 29.133 0.300 . 1 . . . . 62 LYS CD . 10105 1 739 . 1 1 62 62 LYS CE C 13 42.069 0.300 . 1 . . . . 62 LYS CE . 10105 1 740 . 1 1 62 62 LYS N N 15 119.072 0.300 . 1 . . . . 62 LYS N . 10105 1 741 . 1 1 63 63 VAL H H 1 6.897 0.030 . 1 . . . . 63 VAL H . 10105 1 742 . 1 1 63 63 VAL HA H 1 3.379 0.030 . 1 . . . . 63 VAL HA . 10105 1 743 . 1 1 63 63 VAL HB H 1 1.448 0.030 . 1 . . . . 63 VAL HB . 10105 1 744 . 1 1 63 63 VAL HG11 H 1 0.380 0.030 . 1 . . . . 63 VAL HG1 . 10105 1 745 . 1 1 63 63 VAL HG12 H 1 0.380 0.030 . 1 . . . . 63 VAL HG1 . 10105 1 746 . 1 1 63 63 VAL HG13 H 1 0.380 0.030 . 1 . . . . 63 VAL HG1 . 10105 1 747 . 1 1 63 63 VAL HG21 H 1 -0.490 0.030 . 1 . . . . 63 VAL HG2 . 10105 1 748 . 1 1 63 63 VAL HG22 H 1 -0.490 0.030 . 1 . . . . 63 VAL HG2 . 10105 1 749 . 1 1 63 63 VAL HG23 H 1 -0.490 0.030 . 1 . . . . 63 VAL HG2 . 10105 1 750 . 1 1 63 63 VAL C C 13 176.915 0.300 . 1 . . . . 63 VAL C . 10105 1 751 . 1 1 63 63 VAL CA C 13 64.543 0.300 . 1 . . . . 63 VAL CA . 10105 1 752 . 1 1 63 63 VAL CB C 13 32.297 0.300 . 1 . . . . 63 VAL CB . 10105 1 753 . 1 1 63 63 VAL CG1 C 13 22.013 0.300 . 2 . . . . 63 VAL CG1 . 10105 1 754 . 1 1 63 63 VAL CG2 C 13 20.116 0.300 . 2 . . . . 63 VAL CG2 . 10105 1 755 . 1 1 63 63 VAL N N 15 116.028 0.300 . 1 . . . . 63 VAL N . 10105 1 756 . 1 1 64 64 PHE H H 1 8.429 0.030 . 1 . . . . 64 PHE H . 10105 1 757 . 1 1 64 64 PHE HA H 1 4.880 0.030 . 1 . . . . 64 PHE HA . 10105 1 758 . 1 1 64 64 PHE HB2 H 1 3.277 0.030 . 2 . . . . 64 PHE HB2 . 10105 1 759 . 1 1 64 64 PHE HB3 H 1 2.844 0.030 . 2 . . . . 64 PHE HB3 . 10105 1 760 . 1 1 64 64 PHE HD1 H 1 7.467 0.030 . 1 . . . . 64 PHE HD1 . 10105 1 761 . 1 1 64 64 PHE HD2 H 1 7.467 0.030 . 1 . . . . 64 PHE HD2 . 10105 1 762 . 1 1 64 64 PHE HE1 H 1 7.188 0.030 . 1 . . . . 64 PHE HE1 . 10105 1 763 . 1 1 64 64 PHE HE2 H 1 7.188 0.030 . 1 . . . . 64 PHE HE2 . 10105 1 764 . 1 1 64 64 PHE HZ H 1 7.070 0.030 . 1 . . . . 64 PHE HZ . 10105 1 765 . 1 1 64 64 PHE C C 13 177.158 0.300 . 1 . . . . 64 PHE C . 10105 1 766 . 1 1 64 64 PHE CA C 13 59.112 0.300 . 1 . . . . 64 PHE CA . 10105 1 767 . 1 1 64 64 PHE CB C 13 40.887 0.300 . 1 . . . . 64 PHE CB . 10105 1 768 . 1 1 64 64 PHE CD1 C 13 132.316 0.300 . 1 . . . . 64 PHE CD1 . 10105 1 769 . 1 1 64 64 PHE CD2 C 13 132.316 0.300 . 1 . . . . 64 PHE CD2 . 10105 1 770 . 1 1 64 64 PHE CE1 C 13 130.382 0.300 . 1 . . . . 64 PHE CE1 . 10105 1 771 . 1 1 64 64 PHE CE2 C 13 130.382 0.300 . 1 . . . . 64 PHE CE2 . 10105 1 772 . 1 1 64 64 PHE CZ C 13 128.581 0.300 . 1 . . . . 64 PHE CZ . 10105 1 773 . 1 1 64 64 PHE N N 15 114.446 0.300 . 1 . . . . 64 PHE N . 10105 1 774 . 1 1 65 65 GLY H H 1 8.921 0.030 . 1 . . . . 65 GLY H . 10105 1 775 . 1 1 65 65 GLY HA2 H 1 4.101 0.030 . 2 . . . . 65 GLY HA2 . 10105 1 776 . 1 1 65 65 GLY HA3 H 1 3.979 0.030 . 2 . . . . 65 GLY HA3 . 10105 1 777 . 1 1 65 65 GLY C C 13 173.159 0.300 . 1 . . . . 65 GLY C . 10105 1 778 . 1 1 65 65 GLY CA C 13 46.625 0.300 . 1 . . . . 65 GLY CA . 10105 1 779 . 1 1 65 65 GLY N N 15 109.626 0.300 . 1 . . . . 65 GLY N . 10105 1 780 . 1 1 66 66 GLU H H 1 6.848 0.030 . 1 . . . . 66 GLU H . 10105 1 781 . 1 1 66 66 GLU HA H 1 4.749 0.030 . 1 . . . . 66 GLU HA . 10105 1 782 . 1 1 66 66 GLU HB2 H 1 2.385 0.030 . 2 . . . . 66 GLU HB2 . 10105 1 783 . 1 1 66 66 GLU HB3 H 1 1.412 0.030 . 2 . . . . 66 GLU HB3 . 10105 1 784 . 1 1 66 66 GLU HG2 H 1 2.315 0.030 . 2 . . . . 66 GLU HG2 . 10105 1 785 . 1 1 66 66 GLU HG3 H 1 2.243 0.030 . 2 . . . . 66 GLU HG3 . 10105 1 786 . 1 1 66 66 GLU C C 13 174.940 0.300 . 1 . . . . 66 GLU C . 10105 1 787 . 1 1 66 66 GLU CA C 13 54.000 0.300 . 1 . . . . 66 GLU CA . 10105 1 788 . 1 1 66 66 GLU CB C 13 34.782 0.300 . 1 . . . . 66 GLU CB . 10105 1 789 . 1 1 66 66 GLU CG C 13 35.611 0.300 . 1 . . . . 66 GLU CG . 10105 1 790 . 1 1 66 66 GLU N N 15 114.426 0.300 . 1 . . . . 66 GLU N . 10105 1 791 . 1 1 67 67 GLU H H 1 8.854 0.030 . 1 . . . . 67 GLU H . 10105 1 792 . 1 1 67 67 GLU HA H 1 4.113 0.030 . 1 . . . . 67 GLU HA . 10105 1 793 . 1 1 67 67 GLU HB2 H 1 2.130 0.030 . 2 . . . . 67 GLU HB2 . 10105 1 794 . 1 1 67 67 GLU HB3 H 1 2.008 0.030 . 2 . . . . 67 GLU HB3 . 10105 1 795 . 1 1 67 67 GLU HG2 H 1 2.320 0.030 . 2 . . . . 67 GLU HG2 . 10105 1 796 . 1 1 67 67 GLU HG3 H 1 2.258 0.030 . 2 . . . . 67 GLU HG3 . 10105 1 797 . 1 1 67 67 GLU C C 13 176.183 0.300 . 1 . . . . 67 GLU C . 10105 1 798 . 1 1 67 67 GLU CA C 13 58.298 0.300 . 1 . . . . 67 GLU CA . 10105 1 799 . 1 1 67 67 GLU CB C 13 30.598 0.300 . 1 . . . . 67 GLU CB . 10105 1 800 . 1 1 67 67 GLU CG C 13 36.713 0.300 . 1 . . . . 67 GLU CG . 10105 1 801 . 1 1 67 67 GLU N N 15 117.692 0.300 . 1 . . . . 67 GLU N . 10105 1 802 . 1 1 68 68 LYS H H 1 7.713 0.030 . 1 . . . . 68 LYS H . 10105 1 803 . 1 1 68 68 LYS HA H 1 5.092 0.030 . 1 . . . . 68 LYS HA . 10105 1 804 . 1 1 68 68 LYS HB2 H 1 1.899 0.030 . 2 . . . . 68 LYS HB2 . 10105 1 805 . 1 1 68 68 LYS HB3 H 1 1.621 0.030 . 2 . . . . 68 LYS HB3 . 10105 1 806 . 1 1 68 68 LYS HG2 H 1 1.301 0.030 . 2 . . . . 68 LYS HG2 . 10105 1 807 . 1 1 68 68 LYS HG3 H 1 1.014 0.030 . 2 . . . . 68 LYS HG3 . 10105 1 808 . 1 1 68 68 LYS HD2 H 1 1.312 0.030 . 2 . . . . 68 LYS HD2 . 10105 1 809 . 1 1 68 68 LYS HD3 H 1 1.015 0.030 . 2 . . . . 68 LYS HD3 . 10105 1 810 . 1 1 68 68 LYS HE2 H 1 2.440 0.030 . 1 . . . . 68 LYS HE2 . 10105 1 811 . 1 1 68 68 LYS HE3 H 1 2.440 0.030 . 1 . . . . 68 LYS HE3 . 10105 1 812 . 1 1 68 68 LYS C C 13 173.489 0.300 . 1 . . . . 68 LYS C . 10105 1 813 . 1 1 68 68 LYS CA C 13 55.214 0.300 . 1 . . . . 68 LYS CA . 10105 1 814 . 1 1 68 68 LYS CB C 13 35.362 0.300 . 1 . . . . 68 LYS CB . 10105 1 815 . 1 1 68 68 LYS CG C 13 23.283 0.300 . 1 . . . . 68 LYS CG . 10105 1 816 . 1 1 68 68 LYS CD C 13 29.634 0.300 . 1 . . . . 68 LYS CD . 10105 1 817 . 1 1 68 68 LYS CE C 13 41.661 0.300 . 1 . . . . 68 LYS CE . 10105 1 818 . 1 1 68 68 LYS N N 15 117.376 0.300 . 1 . . . . 68 LYS N . 10105 1 819 . 1 1 69 69 LEU H H 1 8.265 0.030 . 1 . . . . 69 LEU H . 10105 1 820 . 1 1 69 69 LEU HA H 1 4.233 0.030 . 1 . . . . 69 LEU HA . 10105 1 821 . 1 1 69 69 LEU HB2 H 1 0.636 0.030 . 2 . . . . 69 LEU HB2 . 10105 1 822 . 1 1 69 69 LEU HB3 H 1 0.232 0.030 . 2 . . . . 69 LEU HB3 . 10105 1 823 . 1 1 69 69 LEU HG H 1 1.148 0.030 . 1 . . . . 69 LEU HG . 10105 1 824 . 1 1 69 69 LEU HD11 H 1 0.419 0.030 . 1 . . . . 69 LEU HD1 . 10105 1 825 . 1 1 69 69 LEU HD12 H 1 0.419 0.030 . 1 . . . . 69 LEU HD1 . 10105 1 826 . 1 1 69 69 LEU HD13 H 1 0.419 0.030 . 1 . . . . 69 LEU HD1 . 10105 1 827 . 1 1 69 69 LEU HD21 H 1 -0.111 0.030 . 1 . . . . 69 LEU HD2 . 10105 1 828 . 1 1 69 69 LEU HD22 H 1 -0.111 0.030 . 1 . . . . 69 LEU HD2 . 10105 1 829 . 1 1 69 69 LEU HD23 H 1 -0.111 0.030 . 1 . . . . 69 LEU HD2 . 10105 1 830 . 1 1 69 69 LEU C C 13 174.147 0.300 . 1 . . . . 69 LEU C . 10105 1 831 . 1 1 69 69 LEU CA C 13 53.913 0.300 . 1 . . . . 69 LEU CA . 10105 1 832 . 1 1 69 69 LEU CB C 13 46.754 0.300 . 1 . . . . 69 LEU CB . 10105 1 833 . 1 1 69 69 LEU CG C 13 26.834 0.300 . 1 . . . . 69 LEU CG . 10105 1 834 . 1 1 69 69 LEU CD1 C 13 25.360 0.300 . 2 . . . . 69 LEU CD1 . 10105 1 835 . 1 1 69 69 LEU CD2 C 13 25.516 0.300 . 2 . . . . 69 LEU CD2 . 10105 1 836 . 1 1 69 69 LEU N N 15 121.534 0.300 . 1 . . . . 69 LEU N . 10105 1 837 . 1 1 70 70 LYS H H 1 7.855 0.030 . 1 . . . . 70 LYS H . 10105 1 838 . 1 1 70 70 LYS HA H 1 4.384 0.030 . 1 . . . . 70 LYS HA . 10105 1 839 . 1 1 70 70 LYS HB2 H 1 1.707 0.030 . 2 . . . . 70 LYS HB2 . 10105 1 840 . 1 1 70 70 LYS HB3 H 1 1.209 0.030 . 2 . . . . 70 LYS HB3 . 10105 1 841 . 1 1 70 70 LYS HG2 H 1 0.792 0.030 . 2 . . . . 70 LYS HG2 . 10105 1 842 . 1 1 70 70 LYS HG3 H 1 0.427 0.030 . 2 . . . . 70 LYS HG3 . 10105 1 843 . 1 1 70 70 LYS HD2 H 1 1.316 0.030 . 2 . . . . 70 LYS HD2 . 10105 1 844 . 1 1 70 70 LYS HD3 H 1 1.206 0.030 . 2 . . . . 70 LYS HD3 . 10105 1 845 . 1 1 70 70 LYS HE2 H 1 2.759 0.030 . 2 . . . . 70 LYS HE2 . 10105 1 846 . 1 1 70 70 LYS HE3 H 1 2.676 0.030 . 2 . . . . 70 LYS HE3 . 10105 1 847 . 1 1 70 70 LYS C C 13 179.207 0.300 . 1 . . . . 70 LYS C . 10105 1 848 . 1 1 70 70 LYS CA C 13 55.734 0.300 . 1 . . . . 70 LYS CA . 10105 1 849 . 1 1 70 70 LYS CB C 13 33.551 0.300 . 1 . . . . 70 LYS CB . 10105 1 850 . 1 1 70 70 LYS CG C 13 25.326 0.300 . 1 . . . . 70 LYS CG . 10105 1 851 . 1 1 70 70 LYS CD C 13 29.502 0.300 . 1 . . . . 70 LYS CD . 10105 1 852 . 1 1 70 70 LYS CE C 13 42.198 0.300 . 1 . . . . 70 LYS CE . 10105 1 853 . 1 1 70 70 LYS N N 15 122.506 0.300 . 1 . . . . 70 LYS N . 10105 1 854 . 1 1 71 71 PHE H H 1 7.965 0.030 . 1 . . . . 71 PHE H . 10105 1 855 . 1 1 71 71 PHE HA H 1 4.146 0.030 . 1 . . . . 71 PHE HA . 10105 1 856 . 1 1 71 71 PHE HB2 H 1 3.047 0.030 . 2 . . . . 71 PHE HB2 . 10105 1 857 . 1 1 71 71 PHE HB3 H 1 2.836 0.030 . 2 . . . . 71 PHE HB3 . 10105 1 858 . 1 1 71 71 PHE HD1 H 1 6.732 0.030 . 1 . . . . 71 PHE HD1 . 10105 1 859 . 1 1 71 71 PHE HD2 H 1 6.732 0.030 . 1 . . . . 71 PHE HD2 . 10105 1 860 . 1 1 71 71 PHE HE1 H 1 7.128 0.030 . 1 . . . . 71 PHE HE1 . 10105 1 861 . 1 1 71 71 PHE HE2 H 1 7.128 0.030 . 1 . . . . 71 PHE HE2 . 10105 1 862 . 1 1 71 71 PHE HZ H 1 6.999 0.030 . 1 . . . . 71 PHE HZ . 10105 1 863 . 1 1 71 71 PHE CA C 13 63.660 0.300 . 1 . . . . 71 PHE CA . 10105 1 864 . 1 1 71 71 PHE CB C 13 38.956 0.300 . 1 . . . . 71 PHE CB . 10105 1 865 . 1 1 71 71 PHE CD1 C 13 131.852 0.300 . 1 . . . . 71 PHE CD1 . 10105 1 866 . 1 1 71 71 PHE CD2 C 13 131.852 0.300 . 1 . . . . 71 PHE CD2 . 10105 1 867 . 1 1 71 71 PHE CE1 C 13 131.810 0.300 . 1 . . . . 71 PHE CE1 . 10105 1 868 . 1 1 71 71 PHE CE2 C 13 131.810 0.300 . 1 . . . . 71 PHE CE2 . 10105 1 869 . 1 1 71 71 PHE CZ C 13 129.442 0.300 . 1 . . . . 71 PHE CZ . 10105 1 870 . 1 1 71 71 PHE N N 15 122.114 0.300 . 1 . . . . 71 PHE N . 10105 1 871 . 1 1 72 72 THR H H 1 8.129 0.030 . 1 . . . . 72 THR H . 10105 1 872 . 1 1 72 72 THR HA H 1 4.331 0.030 . 1 . . . . 72 THR HA . 10105 1 873 . 1 1 72 72 THR HB H 1 4.511 0.030 . 1 . . . . 72 THR HB . 10105 1 874 . 1 1 72 72 THR HG21 H 1 1.388 0.030 . 1 . . . . 72 THR HG2 . 10105 1 875 . 1 1 72 72 THR HG22 H 1 1.388 0.030 . 1 . . . . 72 THR HG2 . 10105 1 876 . 1 1 72 72 THR HG23 H 1 1.388 0.030 . 1 . . . . 72 THR HG2 . 10105 1 877 . 1 1 72 72 THR C C 13 176.013 0.300 . 1 . . . . 72 THR C . 10105 1 878 . 1 1 72 72 THR CA C 13 63.940 0.300 . 1 . . . . 72 THR CA . 10105 1 879 . 1 1 72 72 THR CB C 13 68.755 0.300 . 1 . . . . 72 THR CB . 10105 1 880 . 1 1 72 72 THR CG2 C 13 22.439 0.300 . 1 . . . . 72 THR CG2 . 10105 1 881 . 1 1 72 72 THR N N 15 106.759 0.300 . 1 . . . . 72 THR N . 10105 1 882 . 1 1 73 73 MET H H 1 7.600 0.030 . 1 . . . . 73 MET H . 10105 1 883 . 1 1 73 73 MET HA H 1 4.808 0.030 . 1 . . . . 73 MET HA . 10105 1 884 . 1 1 73 73 MET HB2 H 1 2.703 0.030 . 2 . . . . 73 MET HB2 . 10105 1 885 . 1 1 73 73 MET HB3 H 1 2.482 0.030 . 2 . . . . 73 MET HB3 . 10105 1 886 . 1 1 73 73 MET HG2 H 1 2.171 0.030 . 2 . . . . 73 MET HG2 . 10105 1 887 . 1 1 73 73 MET HG3 H 1 1.976 0.030 . 2 . . . . 73 MET HG3 . 10105 1 888 . 1 1 73 73 MET HE1 H 1 2.118 0.030 . 1 . . . . 73 MET HE . 10105 1 889 . 1 1 73 73 MET HE2 H 1 2.118 0.030 . 1 . . . . 73 MET HE . 10105 1 890 . 1 1 73 73 MET HE3 H 1 2.118 0.030 . 1 . . . . 73 MET HE . 10105 1 891 . 1 1 73 73 MET C C 13 176.537 0.300 . 1 . . . . 73 MET C . 10105 1 892 . 1 1 73 73 MET CA C 13 54.920 0.300 . 1 . . . . 73 MET CA . 10105 1 893 . 1 1 73 73 MET CB C 13 32.793 0.300 . 1 . . . . 73 MET CB . 10105 1 894 . 1 1 73 73 MET CG C 13 32.901 0.300 . 1 . . . . 73 MET CG . 10105 1 895 . 1 1 73 73 MET CE C 13 16.974 0.300 . 1 . . . . 73 MET CE . 10105 1 896 . 1 1 73 73 MET N N 15 119.232 0.300 . 1 . . . . 73 MET N . 10105 1 897 . 1 1 74 74 VAL H H 1 7.437 0.030 . 1 . . . . 74 VAL H . 10105 1 898 . 1 1 74 74 VAL HA H 1 3.278 0.030 . 1 . . . . 74 VAL HA . 10105 1 899 . 1 1 74 74 VAL HB H 1 2.447 0.030 . 1 . . . . 74 VAL HB . 10105 1 900 . 1 1 74 74 VAL HG11 H 1 1.044 0.030 . 1 . . . . 74 VAL HG1 . 10105 1 901 . 1 1 74 74 VAL HG12 H 1 1.044 0.030 . 1 . . . . 74 VAL HG1 . 10105 1 902 . 1 1 74 74 VAL HG13 H 1 1.044 0.030 . 1 . . . . 74 VAL HG1 . 10105 1 903 . 1 1 74 74 VAL HG21 H 1 1.323 0.030 . 1 . . . . 74 VAL HG2 . 10105 1 904 . 1 1 74 74 VAL HG22 H 1 1.323 0.030 . 1 . . . . 74 VAL HG2 . 10105 1 905 . 1 1 74 74 VAL HG23 H 1 1.323 0.030 . 1 . . . . 74 VAL HG2 . 10105 1 906 . 1 1 74 74 VAL C C 13 176.720 0.300 . 1 . . . . 74 VAL C . 10105 1 907 . 1 1 74 74 VAL CA C 13 68.005 0.300 . 1 . . . . 74 VAL CA . 10105 1 908 . 1 1 74 74 VAL CB C 13 31.655 0.300 . 1 . . . . 74 VAL CB . 10105 1 909 . 1 1 74 74 VAL CG1 C 13 22.896 0.300 . 2 . . . . 74 VAL CG1 . 10105 1 910 . 1 1 74 74 VAL CG2 C 13 24.794 0.300 . 2 . . . . 74 VAL CG2 . 10105 1 911 . 1 1 74 74 VAL N N 15 120.847 0.300 . 1 . . . . 74 VAL N . 10105 1 912 . 1 1 75 75 SER H H 1 8.853 0.030 . 1 . . . . 75 SER H . 10105 1 913 . 1 1 75 75 SER HA H 1 3.822 0.030 . 1 . . . . 75 SER HA . 10105 1 914 . 1 1 75 75 SER HB2 H 1 4.052 0.030 . 2 . . . . 75 SER HB2 . 10105 1 915 . 1 1 75 75 SER HB3 H 1 3.929 0.030 . 2 . . . . 75 SER HB3 . 10105 1 916 . 1 1 75 75 SER C C 13 176.696 0.300 . 1 . . . . 75 SER C . 10105 1 917 . 1 1 75 75 SER CA C 13 61.802 0.300 . 1 . . . . 75 SER CA . 10105 1 918 . 1 1 75 75 SER CB C 13 62.567 0.300 . 1 . . . . 75 SER CB . 10105 1 919 . 1 1 75 75 SER N N 15 111.531 0.300 . 1 . . . . 75 SER N . 10105 1 920 . 1 1 76 76 GLN H H 1 8.052 0.030 . 1 . . . . 76 GLN H . 10105 1 921 . 1 1 76 76 GLN HA H 1 4.285 0.030 . 1 . . . . 76 GLN HA . 10105 1 922 . 1 1 76 76 GLN HB2 H 1 2.216 0.030 . 1 . . . . 76 GLN HB2 . 10105 1 923 . 1 1 76 76 GLN HB3 H 1 2.216 0.030 . 1 . . . . 76 GLN HB3 . 10105 1 924 . 1 1 76 76 GLN HG2 H 1 2.495 0.030 . 1 . . . . 76 GLN HG2 . 10105 1 925 . 1 1 76 76 GLN HG3 H 1 2.495 0.030 . 1 . . . . 76 GLN HG3 . 10105 1 926 . 1 1 76 76 GLN HE21 H 1 7.595 0.030 . 2 . . . . 76 GLN HE21 . 10105 1 927 . 1 1 76 76 GLN HE22 H 1 6.923 0.030 . 2 . . . . 76 GLN HE22 . 10105 1 928 . 1 1 76 76 GLN C C 13 179.305 0.300 . 1 . . . . 76 GLN C . 10105 1 929 . 1 1 76 76 GLN CA C 13 58.382 0.300 . 1 . . . . 76 GLN CA . 10105 1 930 . 1 1 76 76 GLN CB C 13 29.220 0.300 . 1 . . . . 76 GLN CB . 10105 1 931 . 1 1 76 76 GLN CG C 13 34.213 0.300 . 1 . . . . 76 GLN CG . 10105 1 932 . 1 1 76 76 GLN N N 15 117.703 0.300 . 1 . . . . 76 GLN N . 10105 1 933 . 1 1 76 76 GLN NE2 N 15 112.559 0.300 . 1 . . . . 76 GLN NE2 . 10105 1 934 . 1 1 77 77 LYS H H 1 8.028 0.030 . 1 . . . . 77 LYS H . 10105 1 935 . 1 1 77 77 LYS HA H 1 4.506 0.030 . 1 . . . . 77 LYS HA . 10105 1 936 . 1 1 77 77 LYS HB2 H 1 2.269 0.030 . 2 . . . . 77 LYS HB2 . 10105 1 937 . 1 1 77 77 LYS HB3 H 1 2.037 0.030 . 2 . . . . 77 LYS HB3 . 10105 1 938 . 1 1 77 77 LYS HG2 H 1 1.720 0.030 . 2 . . . . 77 LYS HG2 . 10105 1 939 . 1 1 77 77 LYS HG3 H 1 1.566 0.030 . 2 . . . . 77 LYS HG3 . 10105 1 940 . 1 1 77 77 LYS HD2 H 1 1.919 0.030 . 2 . . . . 77 LYS HD2 . 10105 1 941 . 1 1 77 77 LYS HD3 H 1 1.805 0.030 . 2 . . . . 77 LYS HD3 . 10105 1 942 . 1 1 77 77 LYS HE2 H 1 3.174 0.030 . 2 . . . . 77 LYS HE2 . 10105 1 943 . 1 1 77 77 LYS HE3 H 1 3.008 0.030 . 2 . . . . 77 LYS HE3 . 10105 1 944 . 1 1 77 77 LYS C C 13 178.671 0.300 . 1 . . . . 77 LYS C . 10105 1 945 . 1 1 77 77 LYS CA C 13 57.556 0.300 . 1 . . . . 77 LYS CA . 10105 1 946 . 1 1 77 77 LYS CB C 13 32.967 0.300 . 1 . . . . 77 LYS CB . 10105 1 947 . 1 1 77 77 LYS CG C 13 25.885 0.300 . 1 . . . . 77 LYS CG . 10105 1 948 . 1 1 77 77 LYS CD C 13 28.596 0.300 . 1 . . . . 77 LYS CD . 10105 1 949 . 1 1 77 77 LYS CE C 13 42.399 0.300 . 1 . . . . 77 LYS CE . 10105 1 950 . 1 1 77 77 LYS N N 15 118.084 0.300 . 1 . . . . 77 LYS N . 10105 1 951 . 1 1 78 78 ILE H H 1 8.134 0.030 . 1 . . . . 78 ILE H . 10105 1 952 . 1 1 78 78 ILE HA H 1 4.417 0.030 . 1 . . . . 78 ILE HA . 10105 1 953 . 1 1 78 78 ILE HB H 1 2.107 0.030 . 1 . . . . 78 ILE HB . 10105 1 954 . 1 1 78 78 ILE HG12 H 1 1.649 0.030 . 2 . . . . 78 ILE HG12 . 10105 1 955 . 1 1 78 78 ILE HG13 H 1 1.226 0.030 . 2 . . . . 78 ILE HG13 . 10105 1 956 . 1 1 78 78 ILE HG21 H 1 0.946 0.030 . 1 . . . . 78 ILE HG2 . 10105 1 957 . 1 1 78 78 ILE HG22 H 1 0.946 0.030 . 1 . . . . 78 ILE HG2 . 10105 1 958 . 1 1 78 78 ILE HG23 H 1 0.946 0.030 . 1 . . . . 78 ILE HG2 . 10105 1 959 . 1 1 78 78 ILE HD11 H 1 0.692 0.030 . 1 . . . . 78 ILE HD1 . 10105 1 960 . 1 1 78 78 ILE HD12 H 1 0.692 0.030 . 1 . . . . 78 ILE HD1 . 10105 1 961 . 1 1 78 78 ILE HD13 H 1 0.692 0.030 . 1 . . . . 78 ILE HD1 . 10105 1 962 . 1 1 78 78 ILE C C 13 177.451 0.300 . 1 . . . . 78 ILE C . 10105 1 963 . 1 1 78 78 ILE CA C 13 62.525 0.300 . 1 . . . . 78 ILE CA . 10105 1 964 . 1 1 78 78 ILE CB C 13 39.108 0.300 . 1 . . . . 78 ILE CB . 10105 1 965 . 1 1 78 78 ILE CG1 C 13 26.123 0.300 . 1 . . . . 78 ILE CG1 . 10105 1 966 . 1 1 78 78 ILE CG2 C 13 17.947 0.300 . 1 . . . . 78 ILE CG2 . 10105 1 967 . 1 1 78 78 ILE CD1 C 13 14.933 0.300 . 1 . . . . 78 ILE CD1 . 10105 1 968 . 1 1 78 78 ILE N N 15 111.723 0.300 . 1 . . . . 78 ILE N . 10105 1 969 . 1 1 79 79 SER H H 1 7.555 0.030 . 1 . . . . 79 SER H . 10105 1 970 . 1 1 79 79 SER HB2 H 1 3.982 0.030 . 2 . . . . 79 SER HB2 . 10105 1 971 . 1 1 79 79 SER HB3 H 1 3.897 0.030 . 2 . . . . 79 SER HB3 . 10105 1 972 . 1 1 79 79 SER CB C 13 62.797 0.300 . 1 . . . . 79 SER CB . 10105 1 973 . 1 1 79 79 SER N N 15 117.176 0.300 . 1 . . . . 79 SER N . 10105 1 974 . 1 1 80 80 HIS HA H 1 4.641 0.030 . 1 . . . . 80 HIS HA . 10105 1 975 . 1 1 80 80 HIS HB2 H 1 3.131 0.030 . 2 . . . . 80 HIS HB2 . 10105 1 976 . 1 1 80 80 HIS HB3 H 1 3.083 0.030 . 2 . . . . 80 HIS HB3 . 10105 1 977 . 1 1 80 80 HIS HD2 H 1 6.966 0.030 . 1 . . . . 80 HIS HD2 . 10105 1 978 . 1 1 80 80 HIS C C 13 175.159 0.300 . 1 . . . . 80 HIS C . 10105 1 979 . 1 1 80 80 HIS CA C 13 57.278 0.300 . 1 . . . . 80 HIS CA . 10105 1 980 . 1 1 80 80 HIS CB C 13 28.855 0.300 . 1 . . . . 80 HIS CB . 10105 1 981 . 1 1 80 80 HIS CD2 C 13 119.501 0.300 . 1 . . . . 80 HIS CD2 . 10105 1 982 . 1 1 81 81 HIS H H 1 8.039 0.030 . 1 . . . . 81 HIS H . 10105 1 983 . 1 1 81 81 HIS HA H 1 4.475 0.030 . 1 . . . . 81 HIS HA . 10105 1 984 . 1 1 81 81 HIS HB2 H 1 3.539 0.030 . 2 . . . . 81 HIS HB2 . 10105 1 985 . 1 1 81 81 HIS HB3 H 1 2.860 0.030 . 2 . . . . 81 HIS HB3 . 10105 1 986 . 1 1 81 81 HIS HD2 H 1 6.688 0.030 . 1 . . . . 81 HIS HD2 . 10105 1 987 . 1 1 81 81 HIS HE1 H 1 7.852 0.030 . 1 . . . . 81 HIS HE1 . 10105 1 988 . 1 1 81 81 HIS C C 13 172.915 0.300 . 1 . . . . 81 HIS C . 10105 1 989 . 1 1 81 81 HIS CA C 13 57.237 0.300 . 1 . . . . 81 HIS CA . 10105 1 990 . 1 1 81 81 HIS CB C 13 32.827 0.300 . 1 . . . . 81 HIS CB . 10105 1 991 . 1 1 81 81 HIS CD2 C 13 116.346 0.300 . 1 . . . . 81 HIS CD2 . 10105 1 992 . 1 1 81 81 HIS CE1 C 13 138.853 0.300 . 1 . . . . 81 HIS CE1 . 10105 1 993 . 1 1 81 81 HIS N N 15 118.184 0.300 . 1 . . . . 81 HIS N . 10105 1 994 . 1 1 82 82 LEU H H 1 7.189 0.030 . 1 . . . . 82 LEU H . 10105 1 995 . 1 1 82 82 LEU HA H 1 5.227 0.030 . 1 . . . . 82 LEU HA . 10105 1 996 . 1 1 82 82 LEU HB2 H 1 1.615 0.030 . 2 . . . . 82 LEU HB2 . 10105 1 997 . 1 1 82 82 LEU HB3 H 1 1.162 0.030 . 2 . . . . 82 LEU HB3 . 10105 1 998 . 1 1 82 82 LEU HG H 1 1.751 0.030 . 1 . . . . 82 LEU HG . 10105 1 999 . 1 1 82 82 LEU HD11 H 1 0.259 0.030 . 1 . . . . 82 LEU HD1 . 10105 1 1000 . 1 1 82 82 LEU HD12 H 1 0.259 0.030 . 1 . . . . 82 LEU HD1 . 10105 1 1001 . 1 1 82 82 LEU HD13 H 1 0.259 0.030 . 1 . . . . 82 LEU HD1 . 10105 1 1002 . 1 1 82 82 LEU HD21 H 1 0.579 0.030 . 1 . . . . 82 LEU HD2 . 10105 1 1003 . 1 1 82 82 LEU HD22 H 1 0.579 0.030 . 1 . . . . 82 LEU HD2 . 10105 1 1004 . 1 1 82 82 LEU HD23 H 1 0.579 0.030 . 1 . . . . 82 LEU HD2 . 10105 1 1005 . 1 1 82 82 LEU C C 13 176.208 0.300 . 1 . . . . 82 LEU C . 10105 1 1006 . 1 1 82 82 LEU CA C 13 53.682 0.300 . 1 . . . . 82 LEU CA . 10105 1 1007 . 1 1 82 82 LEU CB C 13 43.037 0.300 . 1 . . . . 82 LEU CB . 10105 1 1008 . 1 1 82 82 LEU CG C 13 26.084 0.300 . 1 . . . . 82 LEU CG . 10105 1 1009 . 1 1 82 82 LEU CD1 C 13 24.142 0.300 . 2 . . . . 82 LEU CD1 . 10105 1 1010 . 1 1 82 82 LEU CD2 C 13 23.642 0.300 . 2 . . . . 82 LEU CD2 . 10105 1 1011 . 1 1 82 82 LEU N N 15 119.860 0.300 . 1 . . . . 82 LEU N . 10105 1 1012 . 1 1 83 83 SER H H 1 8.914 0.030 . 1 . . . . 83 SER H . 10105 1 1013 . 1 1 83 83 SER HA H 1 5.214 0.030 . 1 . . . . 83 SER HA . 10105 1 1014 . 1 1 83 83 SER HB2 H 1 3.944 0.030 . 1 . . . . 83 SER HB2 . 10105 1 1015 . 1 1 83 83 SER HB3 H 1 3.944 0.030 . 1 . . . . 83 SER HB3 . 10105 1 1016 . 1 1 83 83 SER C C 13 171.038 0.300 . 1 . . . . 83 SER C . 10105 1 1017 . 1 1 83 83 SER CA C 13 56.830 0.300 . 1 . . . . 83 SER CA . 10105 1 1018 . 1 1 83 83 SER CB C 13 63.916 0.300 . 1 . . . . 83 SER CB . 10105 1 1019 . 1 1 83 83 SER N N 15 118.064 0.300 . 1 . . . . 83 SER N . 10105 1 1020 . 1 1 84 84 PRO HA H 1 4.886 0.030 . 1 . . . . 84 PRO HA . 10105 1 1021 . 1 1 84 84 PRO HB2 H 1 2.444 0.030 . 2 . . . . 84 PRO HB2 . 10105 1 1022 . 1 1 84 84 PRO HB3 H 1 1.861 0.030 . 2 . . . . 84 PRO HB3 . 10105 1 1023 . 1 1 84 84 PRO HG2 H 1 2.221 0.030 . 2 . . . . 84 PRO HG2 . 10105 1 1024 . 1 1 84 84 PRO HG3 H 1 2.111 0.030 . 2 . . . . 84 PRO HG3 . 10105 1 1025 . 1 1 84 84 PRO HD2 H 1 4.022 0.030 . 2 . . . . 84 PRO HD2 . 10105 1 1026 . 1 1 84 84 PRO HD3 H 1 3.759 0.030 . 2 . . . . 84 PRO HD3 . 10105 1 1027 . 1 1 84 84 PRO CA C 13 61.840 0.300 . 1 . . . . 84 PRO CA . 10105 1 1028 . 1 1 84 84 PRO CB C 13 30.899 0.300 . 1 . . . . 84 PRO CB . 10105 1 1029 . 1 1 84 84 PRO CG C 13 28.157 0.300 . 1 . . . . 84 PRO CG . 10105 1 1030 . 1 1 84 84 PRO CD C 13 51.029 0.300 . 1 . . . . 84 PRO CD . 10105 1 1031 . 1 1 85 85 PRO HA H 1 4.581 0.030 . 1 . . . . 85 PRO HA . 10105 1 1032 . 1 1 85 85 PRO HB2 H 1 1.997 0.030 . 2 . . . . 85 PRO HB2 . 10105 1 1033 . 1 1 85 85 PRO HB3 H 1 1.960 0.030 . 2 . . . . 85 PRO HB3 . 10105 1 1034 . 1 1 85 85 PRO HG2 H 1 1.890 0.030 . 2 . . . . 85 PRO HG2 . 10105 1 1035 . 1 1 85 85 PRO HG3 H 1 1.736 0.030 . 2 . . . . 85 PRO HG3 . 10105 1 1036 . 1 1 85 85 PRO HD2 H 1 3.959 0.030 . 2 . . . . 85 PRO HD2 . 10105 1 1037 . 1 1 85 85 PRO HD3 H 1 3.556 0.030 . 2 . . . . 85 PRO HD3 . 10105 1 1038 . 1 1 85 85 PRO CA C 13 61.419 0.300 . 1 . . . . 85 PRO CA . 10105 1 1039 . 1 1 85 85 PRO CB C 13 30.517 0.300 . 1 . . . . 85 PRO CB . 10105 1 1040 . 1 1 85 85 PRO CG C 13 27.437 0.300 . 1 . . . . 85 PRO CG . 10105 1 1041 . 1 1 85 85 PRO CD C 13 50.521 0.300 . 1 . . . . 85 PRO CD . 10105 1 1042 . 1 1 86 86 PRO HG2 H 1 2.048 0.030 . 1 . . . . 86 PRO HG2 . 10105 1 1043 . 1 1 86 86 PRO HG3 H 1 2.048 0.030 . 1 . . . . 86 PRO HG3 . 10105 1 1044 . 1 1 86 86 PRO HD2 H 1 3.665 0.030 . 2 . . . . 86 PRO HD2 . 10105 1 1045 . 1 1 86 86 PRO HD3 H 1 3.605 0.030 . 2 . . . . 86 PRO HD3 . 10105 1 1046 . 1 1 86 86 PRO CG C 13 27.297 0.300 . 1 . . . . 86 PRO CG . 10105 1 1047 . 1 1 86 86 PRO CD C 13 50.307 0.300 . 1 . . . . 86 PRO CD . 10105 1 1048 . 1 1 87 87 PRO HA H 1 4.732 0.030 . 1 . . . . 87 PRO HA . 10105 1 1049 . 1 1 87 87 PRO HB2 H 1 2.362 0.030 . 2 . . . . 87 PRO HB2 . 10105 1 1050 . 1 1 87 87 PRO HB3 H 1 1.927 0.030 . 2 . . . . 87 PRO HB3 . 10105 1 1051 . 1 1 87 87 PRO HG2 H 1 2.034 0.030 . 1 . . . . 87 PRO HG2 . 10105 1 1052 . 1 1 87 87 PRO HG3 H 1 2.034 0.030 . 1 . . . . 87 PRO HG3 . 10105 1 1053 . 1 1 87 87 PRO HD2 H 1 3.652 0.030 . 1 . . . . 87 PRO HD2 . 10105 1 1054 . 1 1 87 87 PRO HD3 H 1 3.652 0.030 . 1 . . . . 87 PRO HD3 . 10105 1 1055 . 1 1 87 87 PRO CA C 13 61.381 0.300 . 1 . . . . 87 PRO CA . 10105 1 1056 . 1 1 87 87 PRO CB C 13 30.693 0.300 . 1 . . . . 87 PRO CB . 10105 1 1057 . 1 1 87 87 PRO CG C 13 27.315 0.300 . 1 . . . . 87 PRO CG . 10105 1 1058 . 1 1 87 87 PRO CD C 13 49.825 0.300 . 1 . . . . 87 PRO CD . 10105 1 stop_ save_