data_11117 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11117 _Entry.Title ; The solution structure of the second fibronectin type III domain of mouse Ephrin type-A receptor 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11117 2 A. Sasagawa . . . 11117 3 S. Koshiba . . . 11117 4 M. Inoue . . . 11117 5 T. Kigawa . . . 11117 6 S. Yokoyama . . . 11117 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11117 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11117 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 445 11117 '15N chemical shifts' 95 11117 '1H chemical shifts' 692 11117 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 . . 2011-04-01 2010-03-31 original author . 11117 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5A 'BMRB Entry Tracking System' 11117 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11117 _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 ; The solution structure of the second fibronectin type III domain of mouse Ephrin type-A receptor 1 ; _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 N. Tochio . . . 11117 1 2 A. Sasagawa . . . 11117 1 3 S. Koshiba . . . 11117 1 4 M. Inoue . . . 11117 1 5 T. Kigawa . . . 11117 1 6 S. Yokoyama . . . 11117 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11117 _Assembly.ID 1 _Assembly.Name 'Ephrin type-A receptor 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.2.7.1.112 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fibronectin type-III domain' 1 $entity_1 A . yes native no no . . . 11117 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 yes PDB 1x5a . . . . . . 11117 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11117 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type-III domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGAESLSGLSLKLVK KEPRQLELTWAGSRPRNPGG NLSYELHVLNQDEEWHQMVL EPRVLLTKLQPDTTYIVRVR TLTPLGPGPFSPDHEFRTSP PSGPSSG ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1X5A . "The Solution Structure Of The Second Fibronectin Type Iii Domain Of Mouse Ephrin Type-A Receptor 1" . . . . . 100.00 107 100.00 100.00 2.35e-68 . . . . 11117 1 2 no DBJ BAC25971 . "unnamed protein product [Mus musculus]" . . . . . 87.85 977 100.00 100.00 5.59e-55 . . . . 11117 1 3 no GB AAC52384 . "receptor tyrosine kinase, partial [Mus musculus]" . . . . . 87.85 534 97.87 97.87 5.30e-55 . . . . 11117 1 4 no GB AAG12206 . "receptor tyrosine kinase EphA1 [Mus musculus]" . . . . . 87.85 977 100.00 100.00 6.12e-55 . . . . 11117 1 5 no GB AAH71215 . "Eph receptor A1 [Mus musculus]" . . . . . 87.85 977 100.00 100.00 5.59e-55 . . . . 11117 1 6 no GB EDL13481 . "Eph receptor A1 [Mus musculus]" . . . . . 87.85 977 100.00 100.00 5.59e-55 . . . . 11117 1 7 no GB EDM15513 . "Eph receptor A1 (predicted) [Rattus norvegicus]" . . . . . 87.85 977 97.87 98.94 4.45e-53 . . . . 11117 1 8 no PRF 2207387A . "esk protein" . . . . . 87.85 534 97.87 97.87 5.30e-55 . . . . 11117 1 9 no REF NP_001101328 . "ephrin type-A receptor 1 precursor [Rattus norvegicus]" . . . . . 87.85 977 97.87 98.94 4.45e-53 . . . . 11117 1 10 no REF NP_076069 . "ephrin type-A receptor 1 precursor [Mus musculus]" . . . . . 87.85 977 100.00 100.00 5.59e-55 . . . . 11117 1 11 no REF XP_003504401 . "PREDICTED: ephrin type-A receptor 1 [Cricetulus griseus]" . . . . . 87.85 1020 98.94 100.00 1.38e-54 . . . . 11117 1 12 no REF XP_005363880 . "PREDICTED: ephrin type-A receptor 1 [Microtus ochrogaster]" . . . . . 87.85 976 97.87 98.94 6.48e-54 . . . . 11117 1 13 no REF XP_005405417 . "PREDICTED: ephrin type-A receptor 1 isoform X1 [Chinchilla lanigera]" . . . . . 87.85 976 97.87 100.00 8.94e-54 . . . . 11117 1 14 no SP Q60750 . "RecName: Full=Ephrin type-A receptor 1; Short=mEpha1; AltName: Full=Embryonic stem cell kinase; AltName: Full=Tyrosine-protein " . . . . . 87.85 977 100.00 100.00 5.59e-55 . . . . 11117 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type-III domain' . 11117 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 . 11117 1 2 . SER . 11117 1 3 . SER . 11117 1 4 . GLY . 11117 1 5 . SER . 11117 1 6 . SER . 11117 1 7 . GLY . 11117 1 8 . ALA . 11117 1 9 . GLU . 11117 1 10 . SER . 11117 1 11 . LEU . 11117 1 12 . SER . 11117 1 13 . GLY . 11117 1 14 . LEU . 11117 1 15 . SER . 11117 1 16 . LEU . 11117 1 17 . LYS . 11117 1 18 . LEU . 11117 1 19 . VAL . 11117 1 20 . LYS . 11117 1 21 . LYS . 11117 1 22 . GLU . 11117 1 23 . PRO . 11117 1 24 . ARG . 11117 1 25 . GLN . 11117 1 26 . LEU . 11117 1 27 . GLU . 11117 1 28 . LEU . 11117 1 29 . THR . 11117 1 30 . TRP . 11117 1 31 . ALA . 11117 1 32 . GLY . 11117 1 33 . SER . 11117 1 34 . ARG . 11117 1 35 . PRO . 11117 1 36 . ARG . 11117 1 37 . ASN . 11117 1 38 . PRO . 11117 1 39 . GLY . 11117 1 40 . GLY . 11117 1 41 . ASN . 11117 1 42 . LEU . 11117 1 43 . SER . 11117 1 44 . TYR . 11117 1 45 . GLU . 11117 1 46 . LEU . 11117 1 47 . HIS . 11117 1 48 . VAL . 11117 1 49 . LEU . 11117 1 50 . ASN . 11117 1 51 . GLN . 11117 1 52 . ASP . 11117 1 53 . GLU . 11117 1 54 . GLU . 11117 1 55 . TRP . 11117 1 56 . HIS . 11117 1 57 . GLN . 11117 1 58 . MET . 11117 1 59 . VAL . 11117 1 60 . LEU . 11117 1 61 . GLU . 11117 1 62 . PRO . 11117 1 63 . ARG . 11117 1 64 . VAL . 11117 1 65 . LEU . 11117 1 66 . LEU . 11117 1 67 . THR . 11117 1 68 . LYS . 11117 1 69 . LEU . 11117 1 70 . GLN . 11117 1 71 . PRO . 11117 1 72 . ASP . 11117 1 73 . THR . 11117 1 74 . THR . 11117 1 75 . TYR . 11117 1 76 . ILE . 11117 1 77 . VAL . 11117 1 78 . ARG . 11117 1 79 . VAL . 11117 1 80 . ARG . 11117 1 81 . THR . 11117 1 82 . LEU . 11117 1 83 . THR . 11117 1 84 . PRO . 11117 1 85 . LEU . 11117 1 86 . GLY . 11117 1 87 . PRO . 11117 1 88 . GLY . 11117 1 89 . PRO . 11117 1 90 . PHE . 11117 1 91 . SER . 11117 1 92 . PRO . 11117 1 93 . ASP . 11117 1 94 . HIS . 11117 1 95 . GLU . 11117 1 96 . PHE . 11117 1 97 . ARG . 11117 1 98 . THR . 11117 1 99 . SER . 11117 1 100 . PRO . 11117 1 101 . PRO . 11117 1 102 . SER . 11117 1 103 . GLY . 11117 1 104 . PRO . 11117 1 105 . SER . 11117 1 106 . SER . 11117 1 107 . GLY . 11117 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 11117 1 . SER 2 2 11117 1 . SER 3 3 11117 1 . GLY 4 4 11117 1 . SER 5 5 11117 1 . SER 6 6 11117 1 . GLY 7 7 11117 1 . ALA 8 8 11117 1 . GLU 9 9 11117 1 . SER 10 10 11117 1 . LEU 11 11 11117 1 . SER 12 12 11117 1 . GLY 13 13 11117 1 . LEU 14 14 11117 1 . SER 15 15 11117 1 . LEU 16 16 11117 1 . LYS 17 17 11117 1 . LEU 18 18 11117 1 . VAL 19 19 11117 1 . LYS 20 20 11117 1 . LYS 21 21 11117 1 . GLU 22 22 11117 1 . PRO 23 23 11117 1 . ARG 24 24 11117 1 . GLN 25 25 11117 1 . LEU 26 26 11117 1 . GLU 27 27 11117 1 . LEU 28 28 11117 1 . THR 29 29 11117 1 . TRP 30 30 11117 1 . ALA 31 31 11117 1 . GLY 32 32 11117 1 . SER 33 33 11117 1 . ARG 34 34 11117 1 . PRO 35 35 11117 1 . ARG 36 36 11117 1 . ASN 37 37 11117 1 . PRO 38 38 11117 1 . GLY 39 39 11117 1 . GLY 40 40 11117 1 . ASN 41 41 11117 1 . LEU 42 42 11117 1 . SER 43 43 11117 1 . TYR 44 44 11117 1 . GLU 45 45 11117 1 . LEU 46 46 11117 1 . HIS 47 47 11117 1 . VAL 48 48 11117 1 . LEU 49 49 11117 1 . ASN 50 50 11117 1 . GLN 51 51 11117 1 . ASP 52 52 11117 1 . GLU 53 53 11117 1 . GLU 54 54 11117 1 . TRP 55 55 11117 1 . HIS 56 56 11117 1 . GLN 57 57 11117 1 . MET 58 58 11117 1 . VAL 59 59 11117 1 . LEU 60 60 11117 1 . GLU 61 61 11117 1 . PRO 62 62 11117 1 . ARG 63 63 11117 1 . VAL 64 64 11117 1 . LEU 65 65 11117 1 . LEU 66 66 11117 1 . THR 67 67 11117 1 . LYS 68 68 11117 1 . LEU 69 69 11117 1 . GLN 70 70 11117 1 . PRO 71 71 11117 1 . ASP 72 72 11117 1 . THR 73 73 11117 1 . THR 74 74 11117 1 . TYR 75 75 11117 1 . ILE 76 76 11117 1 . VAL 77 77 11117 1 . ARG 78 78 11117 1 . VAL 79 79 11117 1 . ARG 80 80 11117 1 . THR 81 81 11117 1 . LEU 82 82 11117 1 . THR 83 83 11117 1 . PRO 84 84 11117 1 . LEU 85 85 11117 1 . GLY 86 86 11117 1 . PRO 87 87 11117 1 . GLY 88 88 11117 1 . PRO 89 89 11117 1 . PHE 90 90 11117 1 . SER 91 91 11117 1 . PRO 92 92 11117 1 . ASP 93 93 11117 1 . HIS 94 94 11117 1 . GLU 95 95 11117 1 . PHE 96 96 11117 1 . ARG 97 97 11117 1 . THR 98 98 11117 1 . SER 99 99 11117 1 . PRO 100 100 11117 1 . PRO 101 101 11117 1 . SER 102 102 11117 1 . GLY 103 103 11117 1 . PRO 104 104 11117 1 . SER 105 105 11117 1 . SER 106 106 11117 1 . GLY 107 107 11117 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 11117 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11117 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 11117 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040719-10 . . . . . . 11117 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11117 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2mM FN3 domain {U-15N,13C;} 20mM d-Tris {HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FN3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 11117 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11117 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11117 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11117 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11117 1 6 H2O . . . . . . solvent 90 . . % . . . . 11117 1 7 D2O . . . . . . solvent 10 . . % . . . . 11117 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 11117 _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 11117 1 pH 7.0 0.05 pH 11117 1 pressure 1 0.001 atm 11117 1 temperature 296 0.1 K 11117 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11117 _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 . . 11117 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11117 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11117 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11117 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11117 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11117 _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 'Johnson, B.A.' . . 11117 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11117 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11117 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11117 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11117 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11117 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11117 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11117 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 11117 _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_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11117 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11117 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11117 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11117 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11117 1 stop_ 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 11117 _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 . . . . . . . . . 11117 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11117 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11117 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 11117 _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 11117 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11117 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11117 1 2 $NMRPipe . . 11117 1 3 $NMRVIEW . . 11117 1 4 $KUJIRA . . 11117 1 5 $CYANA . . 11117 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 4.005 0.030 . 2 . . . . 7 GLY HA2 . 11117 1 2 . 1 1 7 7 GLY C C 13 174.228 0.300 . 1 . . . . 7 GLY C . 11117 1 3 . 1 1 7 7 GLY CA C 13 45.351 0.300 . 1 . . . . 7 GLY CA . 11117 1 4 . 1 1 8 8 ALA H H 1 8.216 0.030 . 1 . . . . 8 ALA H . 11117 1 5 . 1 1 8 8 ALA HA H 1 4.311 0.030 . 1 . . . . 8 ALA HA . 11117 1 6 . 1 1 8 8 ALA HB1 H 1 1.402 0.030 . 1 . . . . 8 ALA HB . 11117 1 7 . 1 1 8 8 ALA HB2 H 1 1.402 0.030 . 1 . . . . 8 ALA HB . 11117 1 8 . 1 1 8 8 ALA HB3 H 1 1.402 0.030 . 1 . . . . 8 ALA HB . 11117 1 9 . 1 1 8 8 ALA C C 13 178.206 0.300 . 1 . . . . 8 ALA C . 11117 1 10 . 1 1 8 8 ALA CA C 13 52.906 0.300 . 1 . . . . 8 ALA CA . 11117 1 11 . 1 1 8 8 ALA CB C 13 19.243 0.300 . 1 . . . . 8 ALA CB . 11117 1 12 . 1 1 8 8 ALA N N 15 123.701 0.300 . 1 . . . . 8 ALA N . 11117 1 13 . 1 1 9 9 GLU H H 1 8.553 0.030 . 1 . . . . 9 GLU H . 11117 1 14 . 1 1 9 9 GLU HA H 1 4.290 0.030 . 1 . . . . 9 GLU HA . 11117 1 15 . 1 1 9 9 GLU HB2 H 1 2.093 0.030 . 2 . . . . 9 GLU HB2 . 11117 1 16 . 1 1 9 9 GLU HB3 H 1 1.993 0.030 . 2 . . . . 9 GLU HB3 . 11117 1 17 . 1 1 9 9 GLU HG2 H 1 2.303 0.030 . 1 . . . . 9 GLU HG2 . 11117 1 18 . 1 1 9 9 GLU HG3 H 1 2.303 0.030 . 1 . . . . 9 GLU HG3 . 11117 1 19 . 1 1 9 9 GLU C C 13 176.886 0.300 . 1 . . . . 9 GLU C . 11117 1 20 . 1 1 9 9 GLU CA C 13 57.079 0.300 . 1 . . . . 9 GLU CA . 11117 1 21 . 1 1 9 9 GLU CB C 13 30.030 0.300 . 1 . . . . 9 GLU CB . 11117 1 22 . 1 1 9 9 GLU CG C 13 36.321 0.300 . 1 . . . . 9 GLU CG . 11117 1 23 . 1 1 9 9 GLU N N 15 119.845 0.300 . 1 . . . . 9 GLU N . 11117 1 24 . 1 1 10 10 SER H H 1 8.276 0.030 . 1 . . . . 10 SER H . 11117 1 25 . 1 1 10 10 SER HA H 1 4.487 0.030 . 1 . . . . 10 SER HA . 11117 1 26 . 1 1 10 10 SER HB2 H 1 3.906 0.030 . 1 . . . . 10 SER HB2 . 11117 1 27 . 1 1 10 10 SER HB3 H 1 3.906 0.030 . 1 . . . . 10 SER HB3 . 11117 1 28 . 1 1 10 10 SER C C 13 174.779 0.300 . 1 . . . . 10 SER C . 11117 1 29 . 1 1 10 10 SER CA C 13 58.221 0.300 . 1 . . . . 10 SER CA . 11117 1 30 . 1 1 10 10 SER CB C 13 64.060 0.300 . 1 . . . . 10 SER CB . 11117 1 31 . 1 1 10 10 SER N N 15 116.341 0.300 . 1 . . . . 10 SER N . 11117 1 32 . 1 1 11 11 LEU H H 1 8.268 0.030 . 1 . . . . 11 LEU H . 11117 1 33 . 1 1 11 11 LEU HA H 1 4.504 0.030 . 1 . . . . 11 LEU HA . 11117 1 34 . 1 1 11 11 LEU HB2 H 1 1.732 0.030 . 2 . . . . 11 LEU HB2 . 11117 1 35 . 1 1 11 11 LEU HB3 H 1 1.667 0.030 . 2 . . . . 11 LEU HB3 . 11117 1 36 . 1 1 11 11 LEU HD11 H 1 0.948 0.030 . 1 . . . . 11 LEU HD1 . 11117 1 37 . 1 1 11 11 LEU HD12 H 1 0.948 0.030 . 1 . . . . 11 LEU HD1 . 11117 1 38 . 1 1 11 11 LEU HD13 H 1 0.948 0.030 . 1 . . . . 11 LEU HD1 . 11117 1 39 . 1 1 11 11 LEU HD21 H 1 0.885 0.030 . 1 . . . . 11 LEU HD2 . 11117 1 40 . 1 1 11 11 LEU HD22 H 1 0.885 0.030 . 1 . . . . 11 LEU HD2 . 11117 1 41 . 1 1 11 11 LEU HD23 H 1 0.885 0.030 . 1 . . . . 11 LEU HD2 . 11117 1 42 . 1 1 11 11 LEU HG H 1 1.674 0.030 . 1 . . . . 11 LEU HG . 11117 1 43 . 1 1 11 11 LEU C C 13 177.783 0.300 . 1 . . . . 11 LEU C . 11117 1 44 . 1 1 11 11 LEU CA C 13 55.272 0.300 . 1 . . . . 11 LEU CA . 11117 1 45 . 1 1 11 11 LEU CB C 13 42.478 0.300 . 1 . . . . 11 LEU CB . 11117 1 46 . 1 1 11 11 LEU CD1 C 13 25.289 0.300 . 2 . . . . 11 LEU CD1 . 11117 1 47 . 1 1 11 11 LEU CD2 C 13 23.349 0.300 . 2 . . . . 11 LEU CD2 . 11117 1 48 . 1 1 11 11 LEU CG C 13 27.042 0.300 . 1 . . . . 11 LEU CG . 11117 1 49 . 1 1 11 11 LEU N N 15 123.716 0.300 . 1 . . . . 11 LEU N . 11117 1 50 . 1 1 12 12 SER H H 1 8.331 0.030 . 1 . . . . 12 SER H . 11117 1 51 . 1 1 12 12 SER HA H 1 4.426 0.030 . 1 . . . . 12 SER HA . 11117 1 52 . 1 1 12 12 SER HB2 H 1 3.956 0.030 . 2 . . . . 12 SER HB2 . 11117 1 53 . 1 1 12 12 SER HB3 H 1 3.865 0.030 . 2 . . . . 12 SER HB3 . 11117 1 54 . 1 1 12 12 SER C C 13 175.154 0.300 . 1 . . . . 12 SER C . 11117 1 55 . 1 1 12 12 SER CA C 13 58.822 0.300 . 1 . . . . 12 SER CA . 11117 1 56 . 1 1 12 12 SER CB C 13 64.170 0.300 . 1 . . . . 12 SER CB . 11117 1 57 . 1 1 12 12 SER N N 15 115.767 0.300 . 1 . . . . 12 SER N . 11117 1 58 . 1 1 13 13 GLY H H 1 8.372 0.030 . 1 . . . . 13 GLY H . 11117 1 59 . 1 1 13 13 GLY HA2 H 1 4.100 0.030 . 2 . . . . 13 GLY HA2 . 11117 1 60 . 1 1 13 13 GLY HA3 H 1 3.955 0.030 . 2 . . . . 13 GLY HA3 . 11117 1 61 . 1 1 13 13 GLY C C 13 173.936 0.300 . 1 . . . . 13 GLY C . 11117 1 62 . 1 1 13 13 GLY CA C 13 45.487 0.300 . 1 . . . . 13 GLY CA . 11117 1 63 . 1 1 13 13 GLY N N 15 110.338 0.300 . 1 . . . . 13 GLY N . 11117 1 64 . 1 1 14 14 LEU H H 1 7.955 0.030 . 1 . . . . 14 LEU H . 11117 1 65 . 1 1 14 14 LEU HA H 1 4.456 0.030 . 1 . . . . 14 LEU HA . 11117 1 66 . 1 1 14 14 LEU HB2 H 1 1.619 0.030 . 2 . . . . 14 LEU HB2 . 11117 1 67 . 1 1 14 14 LEU HB3 H 1 1.255 0.030 . 2 . . . . 14 LEU HB3 . 11117 1 68 . 1 1 14 14 LEU HD11 H 1 0.917 0.030 . 1 . . . . 14 LEU HD1 . 11117 1 69 . 1 1 14 14 LEU HD12 H 1 0.917 0.030 . 1 . . . . 14 LEU HD1 . 11117 1 70 . 1 1 14 14 LEU HD13 H 1 0.917 0.030 . 1 . . . . 14 LEU HD1 . 11117 1 71 . 1 1 14 14 LEU HD21 H 1 0.874 0.030 . 1 . . . . 14 LEU HD2 . 11117 1 72 . 1 1 14 14 LEU HD22 H 1 0.874 0.030 . 1 . . . . 14 LEU HD2 . 11117 1 73 . 1 1 14 14 LEU HD23 H 1 0.874 0.030 . 1 . . . . 14 LEU HD2 . 11117 1 74 . 1 1 14 14 LEU C C 13 176.050 0.300 . 1 . . . . 14 LEU C . 11117 1 75 . 1 1 14 14 LEU CA C 13 55.082 0.300 . 1 . . . . 14 LEU CA . 11117 1 76 . 1 1 14 14 LEU CB C 13 43.392 0.300 . 1 . . . . 14 LEU CB . 11117 1 77 . 1 1 14 14 LEU CD1 C 13 25.964 0.300 . 2 . . . . 14 LEU CD1 . 11117 1 78 . 1 1 14 14 LEU CD2 C 13 23.892 0.300 . 2 . . . . 14 LEU CD2 . 11117 1 79 . 1 1 14 14 LEU CG C 13 26.398 0.300 . 1 . . . . 14 LEU CG . 11117 1 80 . 1 1 14 14 LEU N N 15 121.047 0.300 . 1 . . . . 14 LEU N . 11117 1 81 . 1 1 15 15 SER H H 1 8.195 0.030 . 1 . . . . 15 SER H . 11117 1 82 . 1 1 15 15 SER HA H 1 4.851 0.030 . 1 . . . . 15 SER HA . 11117 1 83 . 1 1 15 15 SER HB2 H 1 3.854 0.030 . 1 . . . . 15 SER HB2 . 11117 1 84 . 1 1 15 15 SER HB3 H 1 3.854 0.030 . 1 . . . . 15 SER HB3 . 11117 1 85 . 1 1 15 15 SER C C 13 173.859 0.300 . 1 . . . . 15 SER C . 11117 1 86 . 1 1 15 15 SER CA C 13 57.026 0.300 . 1 . . . . 15 SER CA . 11117 1 87 . 1 1 15 15 SER CB C 13 64.368 0.300 . 1 . . . . 15 SER CB . 11117 1 88 . 1 1 15 15 SER N N 15 115.672 0.300 . 1 . . . . 15 SER N . 11117 1 89 . 1 1 16 16 LEU H H 1 7.714 0.030 . 1 . . . . 16 LEU H . 11117 1 90 . 1 1 16 16 LEU HA H 1 4.808 0.030 . 1 . . . . 16 LEU HA . 11117 1 91 . 1 1 16 16 LEU HB2 H 1 1.192 0.030 . 1 . . . . 16 LEU HB2 . 11117 1 92 . 1 1 16 16 LEU HB3 H 1 1.192 0.030 . 1 . . . . 16 LEU HB3 . 11117 1 93 . 1 1 16 16 LEU HD11 H 1 0.333 0.030 . 1 . . . . 16 LEU HD1 . 11117 1 94 . 1 1 16 16 LEU HD12 H 1 0.333 0.030 . 1 . . . . 16 LEU HD1 . 11117 1 95 . 1 1 16 16 LEU HD13 H 1 0.333 0.030 . 1 . . . . 16 LEU HD1 . 11117 1 96 . 1 1 16 16 LEU HD21 H 1 0.335 0.030 . 1 . . . . 16 LEU HD2 . 11117 1 97 . 1 1 16 16 LEU HD22 H 1 0.335 0.030 . 1 . . . . 16 LEU HD2 . 11117 1 98 . 1 1 16 16 LEU HD23 H 1 0.335 0.030 . 1 . . . . 16 LEU HD2 . 11117 1 99 . 1 1 16 16 LEU HG H 1 1.127 0.030 . 1 . . . . 16 LEU HG . 11117 1 100 . 1 1 16 16 LEU C C 13 175.598 0.300 . 1 . . . . 16 LEU C . 11117 1 101 . 1 1 16 16 LEU CA C 13 55.206 0.300 . 1 . . . . 16 LEU CA . 11117 1 102 . 1 1 16 16 LEU CB C 13 44.086 0.300 . 1 . . . . 16 LEU CB . 11117 1 103 . 1 1 16 16 LEU CD1 C 13 25.449 0.300 . 2 . . . . 16 LEU CD1 . 11117 1 104 . 1 1 16 16 LEU CD2 C 13 25.950 0.300 . 2 . . . . 16 LEU CD2 . 11117 1 105 . 1 1 16 16 LEU CG C 13 28.019 0.300 . 1 . . . . 16 LEU CG . 11117 1 106 . 1 1 16 16 LEU N N 15 126.427 0.300 . 1 . . . . 16 LEU N . 11117 1 107 . 1 1 17 17 LYS H H 1 9.277 0.030 . 1 . . . . 17 LYS H . 11117 1 108 . 1 1 17 17 LYS HA H 1 4.732 0.030 . 1 . . . . 17 LYS HA . 11117 1 109 . 1 1 17 17 LYS HB2 H 1 1.781 0.030 . 2 . . . . 17 LYS HB2 . 11117 1 110 . 1 1 17 17 LYS HB3 H 1 1.739 0.030 . 2 . . . . 17 LYS HB3 . 11117 1 111 . 1 1 17 17 LYS HD2 H 1 1.638 0.030 . 2 . . . . 17 LYS HD2 . 11117 1 112 . 1 1 17 17 LYS HE2 H 1 2.945 0.030 . 1 . . . . 17 LYS HE2 . 11117 1 113 . 1 1 17 17 LYS HE3 H 1 2.945 0.030 . 1 . . . . 17 LYS HE3 . 11117 1 114 . 1 1 17 17 LYS HG2 H 1 1.323 0.030 . 2 . . . . 17 LYS HG2 . 11117 1 115 . 1 1 17 17 LYS HG3 H 1 1.418 0.030 . 2 . . . . 17 LYS HG3 . 11117 1 116 . 1 1 17 17 LYS C C 13 174.778 0.300 . 1 . . . . 17 LYS C . 11117 1 117 . 1 1 17 17 LYS CA C 13 54.393 0.300 . 1 . . . . 17 LYS CA . 11117 1 118 . 1 1 17 17 LYS CB C 13 35.157 0.300 . 1 . . . . 17 LYS CB . 11117 1 119 . 1 1 17 17 LYS CD C 13 29.053 0.300 . 1 . . . . 17 LYS CD . 11117 1 120 . 1 1 17 17 LYS CE C 13 42.302 0.300 . 1 . . . . 17 LYS CE . 11117 1 121 . 1 1 17 17 LYS CG C 13 24.729 0.300 . 1 . . . . 17 LYS CG . 11117 1 122 . 1 1 17 17 LYS N N 15 122.191 0.300 . 1 . . . . 17 LYS N . 11117 1 123 . 1 1 18 18 LEU H H 1 8.806 0.030 . 1 . . . . 18 LEU H . 11117 1 124 . 1 1 18 18 LEU HA H 1 4.315 0.030 . 1 . . . . 18 LEU HA . 11117 1 125 . 1 1 18 18 LEU HB2 H 1 1.945 0.030 . 2 . . . . 18 LEU HB2 . 11117 1 126 . 1 1 18 18 LEU HB3 H 1 1.435 0.030 . 2 . . . . 18 LEU HB3 . 11117 1 127 . 1 1 18 18 LEU HD11 H 1 0.810 0.030 . 1 . . . . 18 LEU HD1 . 11117 1 128 . 1 1 18 18 LEU HD12 H 1 0.810 0.030 . 1 . . . . 18 LEU HD1 . 11117 1 129 . 1 1 18 18 LEU HD13 H 1 0.810 0.030 . 1 . . . . 18 LEU HD1 . 11117 1 130 . 1 1 18 18 LEU HD21 H 1 0.998 0.030 . 1 . . . . 18 LEU HD2 . 11117 1 131 . 1 1 18 18 LEU HD22 H 1 0.998 0.030 . 1 . . . . 18 LEU HD2 . 11117 1 132 . 1 1 18 18 LEU HD23 H 1 0.998 0.030 . 1 . . . . 18 LEU HD2 . 11117 1 133 . 1 1 18 18 LEU HG H 1 1.287 0.030 . 1 . . . . 18 LEU HG . 11117 1 134 . 1 1 18 18 LEU C C 13 176.638 0.300 . 1 . . . . 18 LEU C . 11117 1 135 . 1 1 18 18 LEU CA C 13 54.824 0.300 . 1 . . . . 18 LEU CA . 11117 1 136 . 1 1 18 18 LEU CB C 13 42.612 0.300 . 1 . . . . 18 LEU CB . 11117 1 137 . 1 1 18 18 LEU CD1 C 13 24.954 0.300 . 2 . . . . 18 LEU CD1 . 11117 1 138 . 1 1 18 18 LEU CD2 C 13 26.581 0.300 . 2 . . . . 18 LEU CD2 . 11117 1 139 . 1 1 18 18 LEU CG C 13 27.147 0.300 . 1 . . . . 18 LEU CG . 11117 1 140 . 1 1 18 18 LEU N N 15 124.797 0.300 . 1 . . . . 18 LEU N . 11117 1 141 . 1 1 19 19 VAL H H 1 9.045 0.030 . 1 . . . . 19 VAL H . 11117 1 142 . 1 1 19 19 VAL HA H 1 4.056 0.030 . 1 . . . . 19 VAL HA . 11117 1 143 . 1 1 19 19 VAL HB H 1 1.694 0.030 . 1 . . . . 19 VAL HB . 11117 1 144 . 1 1 19 19 VAL HG11 H 1 0.811 0.030 . 1 . . . . 19 VAL HG1 . 11117 1 145 . 1 1 19 19 VAL HG12 H 1 0.811 0.030 . 1 . . . . 19 VAL HG1 . 11117 1 146 . 1 1 19 19 VAL HG13 H 1 0.811 0.030 . 1 . . . . 19 VAL HG1 . 11117 1 147 . 1 1 19 19 VAL HG21 H 1 0.798 0.030 . 1 . . . . 19 VAL HG2 . 11117 1 148 . 1 1 19 19 VAL HG22 H 1 0.798 0.030 . 1 . . . . 19 VAL HG2 . 11117 1 149 . 1 1 19 19 VAL HG23 H 1 0.798 0.030 . 1 . . . . 19 VAL HG2 . 11117 1 150 . 1 1 19 19 VAL C C 13 176.221 0.300 . 1 . . . . 19 VAL C . 11117 1 151 . 1 1 19 19 VAL CA C 13 63.776 0.300 . 1 . . . . 19 VAL CA . 11117 1 152 . 1 1 19 19 VAL CB C 13 32.895 0.300 . 1 . . . . 19 VAL CB . 11117 1 153 . 1 1 19 19 VAL CG1 C 13 21.209 0.300 . 2 . . . . 19 VAL CG1 . 11117 1 154 . 1 1 19 19 VAL CG2 C 13 21.442 0.300 . 2 . . . . 19 VAL CG2 . 11117 1 155 . 1 1 19 19 VAL N N 15 127.482 0.300 . 1 . . . . 19 VAL N . 11117 1 156 . 1 1 20 20 LYS H H 1 7.397 0.030 . 1 . . . . 20 LYS H . 11117 1 157 . 1 1 20 20 LYS HA H 1 4.533 0.030 . 1 . . . . 20 LYS HA . 11117 1 158 . 1 1 20 20 LYS HB2 H 1 1.834 0.030 . 2 . . . . 20 LYS HB2 . 11117 1 159 . 1 1 20 20 LYS HB3 H 1 1.776 0.030 . 2 . . . . 20 LYS HB3 . 11117 1 160 . 1 1 20 20 LYS HD2 H 1 1.674 0.030 . 1 . . . . 20 LYS HD2 . 11117 1 161 . 1 1 20 20 LYS HD3 H 1 1.674 0.030 . 1 . . . . 20 LYS HD3 . 11117 1 162 . 1 1 20 20 LYS HE2 H 1 2.883 0.030 . 2 . . . . 20 LYS HE2 . 11117 1 163 . 1 1 20 20 LYS HE3 H 1 2.938 0.030 . 2 . . . . 20 LYS HE3 . 11117 1 164 . 1 1 20 20 LYS HG2 H 1 1.381 0.030 . 2 . . . . 20 LYS HG2 . 11117 1 165 . 1 1 20 20 LYS HG3 H 1 1.318 0.030 . 2 . . . . 20 LYS HG3 . 11117 1 166 . 1 1 20 20 LYS C C 13 173.314 0.300 . 1 . . . . 20 LYS C . 11117 1 167 . 1 1 20 20 LYS CA C 13 56.486 0.300 . 1 . . . . 20 LYS CA . 11117 1 168 . 1 1 20 20 LYS CB C 13 36.057 0.300 . 1 . . . . 20 LYS CB . 11117 1 169 . 1 1 20 20 LYS CD C 13 29.182 0.300 . 1 . . . . 20 LYS CD . 11117 1 170 . 1 1 20 20 LYS CE C 13 42.005 0.300 . 1 . . . . 20 LYS CE . 11117 1 171 . 1 1 20 20 LYS CG C 13 25.006 0.300 . 1 . . . . 20 LYS CG . 11117 1 172 . 1 1 20 20 LYS N N 15 117.514 0.300 . 1 . . . . 20 LYS N . 11117 1 173 . 1 1 21 21 LYS H H 1 8.833 0.030 . 1 . . . . 21 LYS H . 11117 1 174 . 1 1 21 21 LYS HA H 1 4.939 0.030 . 1 . . . . 21 LYS HA . 11117 1 175 . 1 1 21 21 LYS HB2 H 1 1.871 0.030 . 2 . . . . 21 LYS HB2 . 11117 1 176 . 1 1 21 21 LYS HB3 H 1 1.781 0.030 . 2 . . . . 21 LYS HB3 . 11117 1 177 . 1 1 21 21 LYS HD2 H 1 1.734 0.030 . 2 . . . . 21 LYS HD2 . 11117 1 178 . 1 1 21 21 LYS HD3 H 1 1.810 0.030 . 2 . . . . 21 LYS HD3 . 11117 1 179 . 1 1 21 21 LYS HE2 H 1 3.043 0.030 . 1 . . . . 21 LYS HE2 . 11117 1 180 . 1 1 21 21 LYS HE3 H 1 3.043 0.030 . 1 . . . . 21 LYS HE3 . 11117 1 181 . 1 1 21 21 LYS HG2 H 1 1.524 0.030 . 1 . . . . 21 LYS HG2 . 11117 1 182 . 1 1 21 21 LYS HG3 H 1 1.524 0.030 . 1 . . . . 21 LYS HG3 . 11117 1 183 . 1 1 21 21 LYS C C 13 173.215 0.300 . 1 . . . . 21 LYS C . 11117 1 184 . 1 1 21 21 LYS CA C 13 55.085 0.300 . 1 . . . . 21 LYS CA . 11117 1 185 . 1 1 21 21 LYS CB C 13 36.218 0.300 . 1 . . . . 21 LYS CB . 11117 1 186 . 1 1 21 21 LYS CD C 13 30.064 0.300 . 1 . . . . 21 LYS CD . 11117 1 187 . 1 1 21 21 LYS CE C 13 42.175 0.300 . 1 . . . . 21 LYS CE . 11117 1 188 . 1 1 21 21 LYS CG C 13 23.531 0.300 . 1 . . . . 21 LYS CG . 11117 1 189 . 1 1 21 21 LYS N N 15 125.146 0.300 . 1 . . . . 21 LYS N . 11117 1 190 . 1 1 22 22 GLU H H 1 8.239 0.030 . 1 . . . . 22 GLU H . 11117 1 191 . 1 1 22 22 GLU HA H 1 4.928 0.030 . 1 . . . . 22 GLU HA . 11117 1 192 . 1 1 22 22 GLU HB2 H 1 2.542 0.030 . 2 . . . . 22 GLU HB2 . 11117 1 193 . 1 1 22 22 GLU HB3 H 1 1.755 0.030 . 2 . . . . 22 GLU HB3 . 11117 1 194 . 1 1 22 22 GLU HG2 H 1 2.319 0.030 . 2 . . . . 22 GLU HG2 . 11117 1 195 . 1 1 22 22 GLU HG3 H 1 2.150 0.030 . 2 . . . . 22 GLU HG3 . 11117 1 196 . 1 1 22 22 GLU C C 13 175.307 0.300 . 1 . . . . 22 GLU C . 11117 1 197 . 1 1 22 22 GLU CA C 13 54.403 0.300 . 1 . . . . 22 GLU CA . 11117 1 198 . 1 1 22 22 GLU CB C 13 32.446 0.300 . 1 . . . . 22 GLU CB . 11117 1 199 . 1 1 22 22 GLU CG C 13 36.866 0.300 . 1 . . . . 22 GLU CG . 11117 1 200 . 1 1 22 22 GLU N N 15 124.884 0.300 . 1 . . . . 22 GLU N . 11117 1 201 . 1 1 23 23 PRO HA H 1 4.802 0.030 . 1 . . . . 23 PRO HA . 11117 1 202 . 1 1 23 23 PRO HB2 H 1 2.113 0.030 . 2 . . . . 23 PRO HB2 . 11117 1 203 . 1 1 23 23 PRO HB3 H 1 1.881 0.030 . 2 . . . . 23 PRO HB3 . 11117 1 204 . 1 1 23 23 PRO HD2 H 1 3.852 0.030 . 1 . . . . 23 PRO HD2 . 11117 1 205 . 1 1 23 23 PRO HD3 H 1 3.852 0.030 . 1 . . . . 23 PRO HD3 . 11117 1 206 . 1 1 23 23 PRO HG2 H 1 2.183 0.030 . 2 . . . . 23 PRO HG2 . 11117 1 207 . 1 1 23 23 PRO HG3 H 1 2.040 0.030 . 2 . . . . 23 PRO HG3 . 11117 1 208 . 1 1 23 23 PRO C C 13 175.581 0.300 . 1 . . . . 23 PRO C . 11117 1 209 . 1 1 23 23 PRO CA C 13 65.486 0.300 . 1 . . . . 23 PRO CA . 11117 1 210 . 1 1 23 23 PRO CB C 13 32.055 0.300 . 1 . . . . 23 PRO CB . 11117 1 211 . 1 1 23 23 PRO CD C 13 51.163 0.300 . 1 . . . . 23 PRO CD . 11117 1 212 . 1 1 23 23 PRO CG C 13 28.198 0.300 . 1 . . . . 23 PRO CG . 11117 1 213 . 1 1 24 24 ARG H H 1 7.297 0.030 . 1 . . . . 24 ARG H . 11117 1 214 . 1 1 24 24 ARG HA H 1 4.504 0.030 . 1 . . . . 24 ARG HA . 11117 1 215 . 1 1 24 24 ARG HB2 H 1 2.191 0.030 . 2 . . . . 24 ARG HB2 . 11117 1 216 . 1 1 24 24 ARG HB3 H 1 1.497 0.030 . 2 . . . . 24 ARG HB3 . 11117 1 217 . 1 1 24 24 ARG HD2 H 1 3.271 0.030 . 2 . . . . 24 ARG HD2 . 11117 1 218 . 1 1 24 24 ARG HD3 H 1 3.145 0.030 . 2 . . . . 24 ARG HD3 . 11117 1 219 . 1 1 24 24 ARG HG2 H 1 1.518 0.030 . 2 . . . . 24 ARG HG2 . 11117 1 220 . 1 1 24 24 ARG HG3 H 1 1.415 0.030 . 2 . . . . 24 ARG HG3 . 11117 1 221 . 1 1 24 24 ARG C C 13 176.172 0.300 . 1 . . . . 24 ARG C . 11117 1 222 . 1 1 24 24 ARG CA C 13 53.760 0.300 . 1 . . . . 24 ARG CA . 11117 1 223 . 1 1 24 24 ARG CB C 13 31.595 0.300 . 1 . . . . 24 ARG CB . 11117 1 224 . 1 1 24 24 ARG CD C 13 43.461 0.300 . 1 . . . . 24 ARG CD . 11117 1 225 . 1 1 24 24 ARG CG C 13 28.408 0.300 . 1 . . . . 24 ARG CG . 11117 1 226 . 1 1 24 24 ARG N N 15 104.175 0.300 . 1 . . . . 24 ARG N . 11117 1 227 . 1 1 25 25 GLN H H 1 7.008 0.030 . 1 . . . . 25 GLN H . 11117 1 228 . 1 1 25 25 GLN HA H 1 5.238 0.030 . 1 . . . . 25 GLN HA . 11117 1 229 . 1 1 25 25 GLN HB2 H 1 2.212 0.030 . 2 . . . . 25 GLN HB2 . 11117 1 230 . 1 1 25 25 GLN HB3 H 1 1.717 0.030 . 2 . . . . 25 GLN HB3 . 11117 1 231 . 1 1 25 25 GLN HE21 H 1 7.554 0.030 . 2 . . . . 25 GLN HE21 . 11117 1 232 . 1 1 25 25 GLN HE22 H 1 6.654 0.030 . 2 . . . . 25 GLN HE22 . 11117 1 233 . 1 1 25 25 GLN HG2 H 1 2.057 0.030 . 2 . . . . 25 GLN HG2 . 11117 1 234 . 1 1 25 25 GLN HG3 H 1 2.166 0.030 . 2 . . . . 25 GLN HG3 . 11117 1 235 . 1 1 25 25 GLN C C 13 173.631 0.300 . 1 . . . . 25 GLN C . 11117 1 236 . 1 1 25 25 GLN CA C 13 54.481 0.300 . 1 . . . . 25 GLN CA . 11117 1 237 . 1 1 25 25 GLN CB C 13 33.575 0.300 . 1 . . . . 25 GLN CB . 11117 1 238 . 1 1 25 25 GLN CG C 13 33.563 0.300 . 1 . . . . 25 GLN CG . 11117 1 239 . 1 1 25 25 GLN N N 15 113.376 0.300 . 1 . . . . 25 GLN N . 11117 1 240 . 1 1 25 25 GLN NE2 N 15 111.339 0.300 . 1 . . . . 25 GLN NE2 . 11117 1 241 . 1 1 26 26 LEU H H 1 8.088 0.030 . 1 . . . . 26 LEU H . 11117 1 242 . 1 1 26 26 LEU HA H 1 4.805 0.030 . 1 . . . . 26 LEU HA . 11117 1 243 . 1 1 26 26 LEU HB2 H 1 1.425 0.030 . 2 . . . . 26 LEU HB2 . 11117 1 244 . 1 1 26 26 LEU HB3 H 1 0.960 0.030 . 2 . . . . 26 LEU HB3 . 11117 1 245 . 1 1 26 26 LEU HD11 H 1 0.627 0.030 . 1 . . . . 26 LEU HD1 . 11117 1 246 . 1 1 26 26 LEU HD12 H 1 0.627 0.030 . 1 . . . . 26 LEU HD1 . 11117 1 247 . 1 1 26 26 LEU HD13 H 1 0.627 0.030 . 1 . . . . 26 LEU HD1 . 11117 1 248 . 1 1 26 26 LEU HD21 H 1 1.017 0.030 . 1 . . . . 26 LEU HD2 . 11117 1 249 . 1 1 26 26 LEU HD22 H 1 1.017 0.030 . 1 . . . . 26 LEU HD2 . 11117 1 250 . 1 1 26 26 LEU HD23 H 1 1.017 0.030 . 1 . . . . 26 LEU HD2 . 11117 1 251 . 1 1 26 26 LEU HG H 1 1.381 0.030 . 1 . . . . 26 LEU HG . 11117 1 252 . 1 1 26 26 LEU C C 13 174.129 0.300 . 1 . . . . 26 LEU C . 11117 1 253 . 1 1 26 26 LEU CA C 13 53.828 0.300 . 1 . . . . 26 LEU CA . 11117 1 254 . 1 1 26 26 LEU CB C 13 47.485 0.300 . 1 . . . . 26 LEU CB . 11117 1 255 . 1 1 26 26 LEU CD1 C 13 25.907 0.300 . 2 . . . . 26 LEU CD1 . 11117 1 256 . 1 1 26 26 LEU CD2 C 13 24.088 0.300 . 2 . . . . 26 LEU CD2 . 11117 1 257 . 1 1 26 26 LEU CG C 13 25.978 0.300 . 1 . . . . 26 LEU CG . 11117 1 258 . 1 1 26 26 LEU N N 15 117.590 0.300 . 1 . . . . 26 LEU N . 11117 1 259 . 1 1 27 27 GLU H H 1 8.621 0.030 . 1 . . . . 27 GLU H . 11117 1 260 . 1 1 27 27 GLU HA H 1 5.348 0.030 . 1 . . . . 27 GLU HA . 11117 1 261 . 1 1 27 27 GLU HB2 H 1 1.985 0.030 . 2 . . . . 27 GLU HB2 . 11117 1 262 . 1 1 27 27 GLU HB3 H 1 1.752 0.030 . 2 . . . . 27 GLU HB3 . 11117 1 263 . 1 1 27 27 GLU HG2 H 1 2.124 0.030 . 2 . . . . 27 GLU HG2 . 11117 1 264 . 1 1 27 27 GLU HG3 H 1 1.839 0.030 . 2 . . . . 27 GLU HG3 . 11117 1 265 . 1 1 27 27 GLU C C 13 174.727 0.300 . 1 . . . . 27 GLU C . 11117 1 266 . 1 1 27 27 GLU CA C 13 54.676 0.300 . 1 . . . . 27 GLU CA . 11117 1 267 . 1 1 27 27 GLU CB C 13 32.569 0.300 . 1 . . . . 27 GLU CB . 11117 1 268 . 1 1 27 27 GLU CG C 13 35.983 0.300 . 1 . . . . 27 GLU CG . 11117 1 269 . 1 1 27 27 GLU N N 15 123.807 0.300 . 1 . . . . 27 GLU N . 11117 1 270 . 1 1 28 28 LEU H H 1 8.859 0.030 . 1 . . . . 28 LEU H . 11117 1 271 . 1 1 28 28 LEU HA H 1 5.472 0.030 . 1 . . . . 28 LEU HA . 11117 1 272 . 1 1 28 28 LEU HB2 H 1 1.737 0.030 . 2 . . . . 28 LEU HB2 . 11117 1 273 . 1 1 28 28 LEU HB3 H 1 1.303 0.030 . 2 . . . . 28 LEU HB3 . 11117 1 274 . 1 1 28 28 LEU HD11 H 1 0.512 0.030 . 1 . . . . 28 LEU HD1 . 11117 1 275 . 1 1 28 28 LEU HD12 H 1 0.512 0.030 . 1 . . . . 28 LEU HD1 . 11117 1 276 . 1 1 28 28 LEU HD13 H 1 0.512 0.030 . 1 . . . . 28 LEU HD1 . 11117 1 277 . 1 1 28 28 LEU HD21 H 1 0.015 0.030 . 1 . . . . 28 LEU HD2 . 11117 1 278 . 1 1 28 28 LEU HD22 H 1 0.015 0.030 . 1 . . . . 28 LEU HD2 . 11117 1 279 . 1 1 28 28 LEU HD23 H 1 0.015 0.030 . 1 . . . . 28 LEU HD2 . 11117 1 280 . 1 1 28 28 LEU HG H 1 1.270 0.030 . 1 . . . . 28 LEU HG . 11117 1 281 . 1 1 28 28 LEU C C 13 175.765 0.300 . 1 . . . . 28 LEU C . 11117 1 282 . 1 1 28 28 LEU CA C 13 52.855 0.300 . 1 . . . . 28 LEU CA . 11117 1 283 . 1 1 28 28 LEU CB C 13 46.322 0.300 . 1 . . . . 28 LEU CB . 11117 1 284 . 1 1 28 28 LEU CD1 C 13 26.519 0.300 . 2 . . . . 28 LEU CD1 . 11117 1 285 . 1 1 28 28 LEU CD2 C 13 23.457 0.300 . 2 . . . . 28 LEU CD2 . 11117 1 286 . 1 1 28 28 LEU CG C 13 26.943 0.300 . 1 . . . . 28 LEU CG . 11117 1 287 . 1 1 28 28 LEU N N 15 126.510 0.300 . 1 . . . . 28 LEU N . 11117 1 288 . 1 1 29 29 THR H H 1 8.952 0.030 . 1 . . . . 29 THR H . 11117 1 289 . 1 1 29 29 THR HA H 1 4.685 0.030 . 1 . . . . 29 THR HA . 11117 1 290 . 1 1 29 29 THR HB H 1 3.983 0.030 . 1 . . . . 29 THR HB . 11117 1 291 . 1 1 29 29 THR HG21 H 1 1.040 0.030 . 1 . . . . 29 THR HG2 . 11117 1 292 . 1 1 29 29 THR HG22 H 1 1.040 0.030 . 1 . . . . 29 THR HG2 . 11117 1 293 . 1 1 29 29 THR HG23 H 1 1.040 0.030 . 1 . . . . 29 THR HG2 . 11117 1 294 . 1 1 29 29 THR C C 13 172.129 0.300 . 1 . . . . 29 THR C . 11117 1 295 . 1 1 29 29 THR CA C 13 59.995 0.300 . 1 . . . . 29 THR CA . 11117 1 296 . 1 1 29 29 THR CB C 13 71.463 0.300 . 1 . . . . 29 THR CB . 11117 1 297 . 1 1 29 29 THR CG2 C 13 20.606 0.300 . 1 . . . . 29 THR CG2 . 11117 1 298 . 1 1 29 29 THR N N 15 111.550 0.300 . 1 . . . . 29 THR N . 11117 1 299 . 1 1 30 30 TRP H H 1 7.557 0.030 . 1 . . . . 30 TRP H . 11117 1 300 . 1 1 30 30 TRP HA H 1 5.224 0.030 . 1 . . . . 30 TRP HA . 11117 1 301 . 1 1 30 30 TRP HB2 H 1 3.206 0.030 . 2 . . . . 30 TRP HB2 . 11117 1 302 . 1 1 30 30 TRP HB3 H 1 3.137 0.030 . 2 . . . . 30 TRP HB3 . 11117 1 303 . 1 1 30 30 TRP HD1 H 1 6.593 0.030 . 1 . . . . 30 TRP HD1 . 11117 1 304 . 1 1 30 30 TRP HE1 H 1 5.986 0.030 . 1 . . . . 30 TRP HE1 . 11117 1 305 . 1 1 30 30 TRP HE3 H 1 6.834 0.030 . 1 . . . . 30 TRP HE3 . 11117 1 306 . 1 1 30 30 TRP HH2 H 1 6.630 0.030 . 1 . . . . 30 TRP HH2 . 11117 1 307 . 1 1 30 30 TRP HZ2 H 1 6.694 0.030 . 1 . . . . 30 TRP HZ2 . 11117 1 308 . 1 1 30 30 TRP HZ3 H 1 6.490 0.030 . 1 . . . . 30 TRP HZ3 . 11117 1 309 . 1 1 30 30 TRP C C 13 174.918 0.300 . 1 . . . . 30 TRP C . 11117 1 310 . 1 1 30 30 TRP CA C 13 56.375 0.300 . 1 . . . . 30 TRP CA . 11117 1 311 . 1 1 30 30 TRP CB C 13 29.138 0.300 . 1 . . . . 30 TRP CB . 11117 1 312 . 1 1 30 30 TRP CD1 C 13 126.513 0.300 . 1 . . . . 30 TRP CD1 . 11117 1 313 . 1 1 30 30 TRP CE3 C 13 121.081 0.300 . 1 . . . . 30 TRP CE3 . 11117 1 314 . 1 1 30 30 TRP CH2 C 13 123.824 0.300 . 1 . . . . 30 TRP CH2 . 11117 1 315 . 1 1 30 30 TRP CZ2 C 13 113.899 0.300 . 1 . . . . 30 TRP CZ2 . 11117 1 316 . 1 1 30 30 TRP CZ3 C 13 120.268 0.300 . 1 . . . . 30 TRP CZ3 . 11117 1 317 . 1 1 30 30 TRP N N 15 120.841 0.300 . 1 . . . . 30 TRP N . 11117 1 318 . 1 1 30 30 TRP NE1 N 15 124.234 0.300 . 1 . . . . 30 TRP NE1 . 11117 1 319 . 1 1 31 31 ALA H H 1 8.216 0.030 . 1 . . . . 31 ALA H . 11117 1 320 . 1 1 31 31 ALA HA H 1 4.120 0.030 . 1 . . . . 31 ALA HA . 11117 1 321 . 1 1 31 31 ALA HB1 H 1 1.390 0.030 . 1 . . . . 31 ALA HB . 11117 1 322 . 1 1 31 31 ALA HB2 H 1 1.390 0.030 . 1 . . . . 31 ALA HB . 11117 1 323 . 1 1 31 31 ALA HB3 H 1 1.390 0.030 . 1 . . . . 31 ALA HB . 11117 1 324 . 1 1 31 31 ALA C C 13 178.526 0.300 . 1 . . . . 31 ALA C . 11117 1 325 . 1 1 31 31 ALA CA C 13 53.512 0.300 . 1 . . . . 31 ALA CA . 11117 1 326 . 1 1 31 31 ALA CB C 13 19.494 0.300 . 1 . . . . 31 ALA CB . 11117 1 327 . 1 1 31 31 ALA N N 15 123.466 0.300 . 1 . . . . 31 ALA N . 11117 1 328 . 1 1 32 32 GLY H H 1 8.652 0.030 . 1 . . . . 32 GLY H . 11117 1 329 . 1 1 33 33 SER HA H 1 4.561 0.030 . 1 . . . . 33 SER HA . 11117 1 330 . 1 1 33 33 SER HB2 H 1 3.963 0.030 . 1 . . . . 33 SER HB2 . 11117 1 331 . 1 1 33 33 SER HB3 H 1 3.963 0.030 . 1 . . . . 33 SER HB3 . 11117 1 332 . 1 1 33 33 SER C C 13 173.885 0.300 . 1 . . . . 33 SER C . 11117 1 333 . 1 1 33 33 SER CA C 13 58.287 0.300 . 1 . . . . 33 SER CA . 11117 1 334 . 1 1 33 33 SER CB C 13 64.176 0.300 . 1 . . . . 33 SER CB . 11117 1 335 . 1 1 34 34 ARG H H 1 8.192 0.030 . 1 . . . . 34 ARG H . 11117 1 336 . 1 1 34 34 ARG HB2 H 1 1.810 0.030 . 2 . . . . 34 ARG HB2 . 11117 1 337 . 1 1 34 34 ARG HB3 H 1 1.871 0.030 . 2 . . . . 34 ARG HB3 . 11117 1 338 . 1 1 34 34 ARG HD2 H 1 3.247 0.030 . 2 . . . . 34 ARG HD2 . 11117 1 339 . 1 1 34 34 ARG HG2 H 1 1.712 0.030 . 1 . . . . 34 ARG HG2 . 11117 1 340 . 1 1 34 34 ARG HG3 H 1 1.712 0.030 . 1 . . . . 34 ARG HG3 . 11117 1 341 . 1 1 34 34 ARG C C 13 174.049 0.300 . 1 . . . . 34 ARG C . 11117 1 342 . 1 1 34 34 ARG CA C 13 53.979 0.300 . 1 . . . . 34 ARG CA . 11117 1 343 . 1 1 34 34 ARG CB C 13 30.301 0.300 . 1 . . . . 34 ARG CB . 11117 1 344 . 1 1 34 34 ARG CD C 13 43.424 0.300 . 1 . . . . 34 ARG CD . 11117 1 345 . 1 1 34 34 ARG CG C 13 26.850 0.300 . 1 . . . . 34 ARG CG . 11117 1 346 . 1 1 34 34 ARG N N 15 122.591 0.300 . 1 . . . . 34 ARG N . 11117 1 347 . 1 1 35 35 PRO HA H 1 4.456 0.030 . 1 . . . . 35 PRO HA . 11117 1 348 . 1 1 35 35 PRO HB2 H 1 2.290 0.030 . 2 . . . . 35 PRO HB2 . 11117 1 349 . 1 1 35 35 PRO HB3 H 1 1.941 0.030 . 2 . . . . 35 PRO HB3 . 11117 1 350 . 1 1 35 35 PRO HD2 H 1 3.672 0.030 . 2 . . . . 35 PRO HD2 . 11117 1 351 . 1 1 35 35 PRO HD3 H 1 3.813 0.030 . 2 . . . . 35 PRO HD3 . 11117 1 352 . 1 1 35 35 PRO HG2 H 1 2.024 0.030 . 2 . . . . 35 PRO HG2 . 11117 1 353 . 1 1 35 35 PRO HG3 H 1 2.099 0.030 . 2 . . . . 35 PRO HG3 . 11117 1 354 . 1 1 35 35 PRO C C 13 176.767 0.300 . 1 . . . . 35 PRO C . 11117 1 355 . 1 1 35 35 PRO CA C 13 63.026 0.300 . 1 . . . . 35 PRO CA . 11117 1 356 . 1 1 35 35 PRO CB C 13 32.166 0.300 . 1 . . . . 35 PRO CB . 11117 1 357 . 1 1 35 35 PRO CD C 13 50.586 0.300 . 1 . . . . 35 PRO CD . 11117 1 358 . 1 1 35 35 PRO CG C 13 27.390 0.300 . 1 . . . . 35 PRO CG . 11117 1 359 . 1 1 36 36 ARG H H 1 8.546 0.030 . 1 . . . . 36 ARG H . 11117 1 360 . 1 1 36 36 ARG HA H 1 4.222 0.030 . 1 . . . . 36 ARG HA . 11117 1 361 . 1 1 36 36 ARG HB2 H 1 1.845 0.030 . 2 . . . . 36 ARG HB2 . 11117 1 362 . 1 1 36 36 ARG HB3 H 1 1.811 0.030 . 2 . . . . 36 ARG HB3 . 11117 1 363 . 1 1 36 36 ARG HD2 H 1 3.234 0.030 . 1 . . . . 36 ARG HD2 . 11117 1 364 . 1 1 36 36 ARG HD3 H 1 3.234 0.030 . 1 . . . . 36 ARG HD3 . 11117 1 365 . 1 1 36 36 ARG HG2 H 1 1.648 0.030 . 2 . . . . 36 ARG HG2 . 11117 1 366 . 1 1 36 36 ARG HG3 H 1 1.695 0.030 . 2 . . . . 36 ARG HG3 . 11117 1 367 . 1 1 36 36 ARG C C 13 176.009 0.300 . 1 . . . . 36 ARG C . 11117 1 368 . 1 1 36 36 ARG CA C 13 56.720 0.300 . 1 . . . . 36 ARG CA . 11117 1 369 . 1 1 36 36 ARG CB C 13 30.497 0.300 . 1 . . . . 36 ARG CB . 11117 1 370 . 1 1 36 36 ARG CD C 13 43.413 0.300 . 1 . . . . 36 ARG CD . 11117 1 371 . 1 1 36 36 ARG CG C 13 27.275 0.300 . 1 . . . . 36 ARG CG . 11117 1 372 . 1 1 36 36 ARG N N 15 121.137 0.300 . 1 . . . . 36 ARG N . 11117 1 373 . 1 1 37 37 ASN H H 1 8.364 0.030 . 1 . . . . 37 ASN H . 11117 1 374 . 1 1 37 37 ASN HA H 1 5.034 0.030 . 1 . . . . 37 ASN HA . 11117 1 375 . 1 1 37 37 ASN HB2 H 1 2.826 0.030 . 2 . . . . 37 ASN HB2 . 11117 1 376 . 1 1 37 37 ASN HB3 H 1 2.668 0.030 . 2 . . . . 37 ASN HB3 . 11117 1 377 . 1 1 37 37 ASN HD21 H 1 7.643 0.030 . 2 . . . . 37 ASN HD21 . 11117 1 378 . 1 1 37 37 ASN HD22 H 1 6.964 0.030 . 2 . . . . 37 ASN HD22 . 11117 1 379 . 1 1 37 37 ASN CA C 13 51.139 0.300 . 1 . . . . 37 ASN CA . 11117 1 380 . 1 1 37 37 ASN CB C 13 39.117 0.300 . 1 . . . . 37 ASN CB . 11117 1 381 . 1 1 37 37 ASN ND2 N 15 113.283 0.300 . 1 . . . . 37 ASN ND2 . 11117 1 382 . 1 1 38 38 PRO HA H 1 4.418 0.030 . 1 . . . . 38 PRO HA . 11117 1 383 . 1 1 38 38 PRO HB2 H 1 2.281 0.030 . 2 . . . . 38 PRO HB2 . 11117 1 384 . 1 1 38 38 PRO HB3 H 1 2.022 0.030 . 2 . . . . 38 PRO HB3 . 11117 1 385 . 1 1 38 38 PRO HD2 H 1 3.749 0.030 . 2 . . . . 38 PRO HD2 . 11117 1 386 . 1 1 38 38 PRO HD3 H 1 3.797 0.030 . 2 . . . . 38 PRO HD3 . 11117 1 387 . 1 1 38 38 PRO C C 13 177.551 0.300 . 1 . . . . 38 PRO C . 11117 1 388 . 1 1 38 38 PRO CA C 13 63.895 0.300 . 1 . . . . 38 PRO CA . 11117 1 389 . 1 1 38 38 PRO CB C 13 32.001 0.300 . 1 . . . . 38 PRO CB . 11117 1 390 . 1 1 38 38 PRO CD C 13 50.709 0.300 . 1 . . . . 38 PRO CD . 11117 1 391 . 1 1 38 38 PRO CG C 13 27.427 0.300 . 1 . . . . 38 PRO CG . 11117 1 392 . 1 1 39 39 GLY H H 1 8.546 0.030 . 1 . . . . 39 GLY H . 11117 1 393 . 1 1 39 39 GLY HA2 H 1 4.020 0.030 . 2 . . . . 39 GLY HA2 . 11117 1 394 . 1 1 39 39 GLY HA3 H 1 3.929 0.030 . 2 . . . . 39 GLY HA3 . 11117 1 395 . 1 1 39 39 GLY C C 13 174.654 0.300 . 1 . . . . 39 GLY C . 11117 1 396 . 1 1 39 39 GLY CA C 13 45.366 0.300 . 1 . . . . 39 GLY CA . 11117 1 397 . 1 1 39 39 GLY N N 15 109.408 0.300 . 1 . . . . 39 GLY N . 11117 1 398 . 1 1 40 40 GLY H H 1 8.093 0.030 . 1 . . . . 40 GLY H . 11117 1 399 . 1 1 40 40 GLY HA2 H 1 3.919 0.030 . 2 . . . . 40 GLY HA2 . 11117 1 400 . 1 1 40 40 GLY HA3 H 1 4.012 0.030 . 2 . . . . 40 GLY HA3 . 11117 1 401 . 1 1 40 40 GLY C C 13 173.461 0.300 . 1 . . . . 40 GLY C . 11117 1 402 . 1 1 40 40 GLY CA C 13 45.275 0.300 . 1 . . . . 40 GLY CA . 11117 1 403 . 1 1 40 40 GLY N N 15 108.091 0.300 . 1 . . . . 40 GLY N . 11117 1 404 . 1 1 41 41 ASN H H 1 8.371 0.030 . 1 . . . . 41 ASN H . 11117 1 405 . 1 1 41 41 ASN HA H 1 4.679 0.030 . 1 . . . . 41 ASN HA . 11117 1 406 . 1 1 41 41 ASN HB2 H 1 2.800 0.030 . 2 . . . . 41 ASN HB2 . 11117 1 407 . 1 1 41 41 ASN HB3 H 1 2.702 0.030 . 2 . . . . 41 ASN HB3 . 11117 1 408 . 1 1 41 41 ASN HD21 H 1 7.561 0.030 . 2 . . . . 41 ASN HD21 . 11117 1 409 . 1 1 41 41 ASN HD22 H 1 6.916 0.030 . 2 . . . . 41 ASN HD22 . 11117 1 410 . 1 1 41 41 ASN C C 13 174.138 0.300 . 1 . . . . 41 ASN C . 11117 1 411 . 1 1 41 41 ASN CA C 13 53.474 0.300 . 1 . . . . 41 ASN CA . 11117 1 412 . 1 1 41 41 ASN CB C 13 38.984 0.300 . 1 . . . . 41 ASN CB . 11117 1 413 . 1 1 41 41 ASN N N 15 118.162 0.300 . 1 . . . . 41 ASN N . 11117 1 414 . 1 1 41 41 ASN ND2 N 15 112.873 0.300 . 1 . . . . 41 ASN ND2 . 11117 1 415 . 1 1 42 42 LEU H H 1 8.043 0.030 . 1 . . . . 42 LEU H . 11117 1 416 . 1 1 42 42 LEU HA H 1 4.668 0.030 . 1 . . . . 42 LEU HA . 11117 1 417 . 1 1 42 42 LEU HB2 H 1 1.522 0.030 . 2 . . . . 42 LEU HB2 . 11117 1 418 . 1 1 42 42 LEU HB3 H 1 1.367 0.030 . 2 . . . . 42 LEU HB3 . 11117 1 419 . 1 1 42 42 LEU HD11 H 1 0.800 0.030 . 1 . . . . 42 LEU HD1 . 11117 1 420 . 1 1 42 42 LEU HD12 H 1 0.800 0.030 . 1 . . . . 42 LEU HD1 . 11117 1 421 . 1 1 42 42 LEU HD13 H 1 0.800 0.030 . 1 . . . . 42 LEU HD1 . 11117 1 422 . 1 1 42 42 LEU HD21 H 1 0.751 0.030 . 1 . . . . 42 LEU HD2 . 11117 1 423 . 1 1 42 42 LEU HD22 H 1 0.751 0.030 . 1 . . . . 42 LEU HD2 . 11117 1 424 . 1 1 42 42 LEU HD23 H 1 0.751 0.030 . 1 . . . . 42 LEU HD2 . 11117 1 425 . 1 1 42 42 LEU HG H 1 1.444 0.030 . 1 . . . . 42 LEU HG . 11117 1 426 . 1 1 42 42 LEU C C 13 175.747 0.300 . 1 . . . . 42 LEU C . 11117 1 427 . 1 1 42 42 LEU CA C 13 55.085 0.300 . 1 . . . . 42 LEU CA . 11117 1 428 . 1 1 42 42 LEU CB C 13 43.931 0.300 . 1 . . . . 42 LEU CB . 11117 1 429 . 1 1 42 42 LEU CD1 C 13 25.268 0.300 . 2 . . . . 42 LEU CD1 . 11117 1 430 . 1 1 42 42 LEU CD2 C 13 24.636 0.300 . 2 . . . . 42 LEU CD2 . 11117 1 431 . 1 1 42 42 LEU CG C 13 27.150 0.300 . 1 . . . . 42 LEU CG . 11117 1 432 . 1 1 42 42 LEU N N 15 122.287 0.300 . 1 . . . . 42 LEU N . 11117 1 433 . 1 1 43 43 SER H H 1 8.110 0.030 . 1 . . . . 43 SER H . 11117 1 434 . 1 1 43 43 SER HA H 1 4.557 0.030 . 1 . . . . 43 SER HA . 11117 1 435 . 1 1 43 43 SER HB2 H 1 3.943 0.030 . 2 . . . . 43 SER HB2 . 11117 1 436 . 1 1 43 43 SER HB3 H 1 3.879 0.030 . 2 . . . . 43 SER HB3 . 11117 1 437 . 1 1 43 43 SER C C 13 171.345 0.300 . 1 . . . . 43 SER C . 11117 1 438 . 1 1 43 43 SER CA C 13 57.203 0.300 . 1 . . . . 43 SER CA . 11117 1 439 . 1 1 43 43 SER CB C 13 65.344 0.300 . 1 . . . . 43 SER CB . 11117 1 440 . 1 1 43 43 SER N N 15 116.840 0.300 . 1 . . . . 43 SER N . 11117 1 441 . 1 1 44 44 TYR H H 1 8.946 0.030 . 1 . . . . 44 TYR H . 11117 1 442 . 1 1 44 44 TYR HA H 1 5.482 0.030 . 1 . . . . 44 TYR HA . 11117 1 443 . 1 1 44 44 TYR HB2 H 1 2.970 0.030 . 2 . . . . 44 TYR HB2 . 11117 1 444 . 1 1 44 44 TYR HB3 H 1 2.896 0.030 . 2 . . . . 44 TYR HB3 . 11117 1 445 . 1 1 44 44 TYR HD1 H 1 6.967 0.030 . 1 . . . . 44 TYR HD1 . 11117 1 446 . 1 1 44 44 TYR HD2 H 1 6.967 0.030 . 1 . . . . 44 TYR HD2 . 11117 1 447 . 1 1 44 44 TYR HE1 H 1 6.723 0.030 . 1 . . . . 44 TYR HE1 . 11117 1 448 . 1 1 44 44 TYR HE2 H 1 6.723 0.030 . 1 . . . . 44 TYR HE2 . 11117 1 449 . 1 1 44 44 TYR C C 13 173.779 0.300 . 1 . . . . 44 TYR C . 11117 1 450 . 1 1 44 44 TYR CA C 13 56.671 0.300 . 1 . . . . 44 TYR CA . 11117 1 451 . 1 1 44 44 TYR CB C 13 41.977 0.300 . 1 . . . . 44 TYR CB . 11117 1 452 . 1 1 44 44 TYR CD1 C 13 134.423 0.300 . 1 . . . . 44 TYR CD1 . 11117 1 453 . 1 1 44 44 TYR CD2 C 13 134.423 0.300 . 1 . . . . 44 TYR CD2 . 11117 1 454 . 1 1 44 44 TYR CE1 C 13 118.081 0.300 . 1 . . . . 44 TYR CE1 . 11117 1 455 . 1 1 44 44 TYR CE2 C 13 118.081 0.300 . 1 . . . . 44 TYR CE2 . 11117 1 456 . 1 1 44 44 TYR N N 15 115.287 0.300 . 1 . . . . 44 TYR N . 11117 1 457 . 1 1 45 45 GLU H H 1 9.229 0.030 . 1 . . . . 45 GLU H . 11117 1 458 . 1 1 45 45 GLU HA H 1 5.218 0.030 . 1 . . . . 45 GLU HA . 11117 1 459 . 1 1 45 45 GLU HB2 H 1 1.903 0.030 . 1 . . . . 45 GLU HB2 . 11117 1 460 . 1 1 45 45 GLU HB3 H 1 1.903 0.030 . 1 . . . . 45 GLU HB3 . 11117 1 461 . 1 1 45 45 GLU HG2 H 1 2.385 0.030 . 2 . . . . 45 GLU HG2 . 11117 1 462 . 1 1 45 45 GLU HG3 H 1 2.149 0.030 . 2 . . . . 45 GLU HG3 . 11117 1 463 . 1 1 45 45 GLU C C 13 174.276 0.300 . 1 . . . . 45 GLU C . 11117 1 464 . 1 1 45 45 GLU CA C 13 54.611 0.300 . 1 . . . . 45 GLU CA . 11117 1 465 . 1 1 45 45 GLU CB C 13 33.788 0.300 . 1 . . . . 45 GLU CB . 11117 1 466 . 1 1 45 45 GLU CG C 13 36.783 0.300 . 1 . . . . 45 GLU CG . 11117 1 467 . 1 1 45 45 GLU N N 15 122.630 0.300 . 1 . . . . 45 GLU N . 11117 1 468 . 1 1 46 46 LEU H H 1 9.473 0.030 . 1 . . . . 46 LEU H . 11117 1 469 . 1 1 46 46 LEU HA H 1 5.253 0.030 . 1 . . . . 46 LEU HA . 11117 1 470 . 1 1 46 46 LEU HB2 H 1 1.529 0.030 . 2 . . . . 46 LEU HB2 . 11117 1 471 . 1 1 46 46 LEU HB3 H 1 1.498 0.030 . 2 . . . . 46 LEU HB3 . 11117 1 472 . 1 1 46 46 LEU HD11 H 1 0.646 0.030 . 1 . . . . 46 LEU HD1 . 11117 1 473 . 1 1 46 46 LEU HD12 H 1 0.646 0.030 . 1 . . . . 46 LEU HD1 . 11117 1 474 . 1 1 46 46 LEU HD13 H 1 0.646 0.030 . 1 . . . . 46 LEU HD1 . 11117 1 475 . 1 1 46 46 LEU HD21 H 1 0.773 0.030 . 1 . . . . 46 LEU HD2 . 11117 1 476 . 1 1 46 46 LEU HD22 H 1 0.773 0.030 . 1 . . . . 46 LEU HD2 . 11117 1 477 . 1 1 46 46 LEU HD23 H 1 0.773 0.030 . 1 . . . . 46 LEU HD2 . 11117 1 478 . 1 1 46 46 LEU HG H 1 1.526 0.030 . 1 . . . . 46 LEU HG . 11117 1 479 . 1 1 46 46 LEU C C 13 175.500 0.300 . 1 . . . . 46 LEU C . 11117 1 480 . 1 1 46 46 LEU CA C 13 53.687 0.300 . 1 . . . . 46 LEU CA . 11117 1 481 . 1 1 46 46 LEU CB C 13 45.027 0.300 . 1 . . . . 46 LEU CB . 11117 1 482 . 1 1 46 46 LEU CD1 C 13 26.746 0.300 . 2 . . . . 46 LEU CD1 . 11117 1 483 . 1 1 46 46 LEU CD2 C 13 26.450 0.300 . 2 . . . . 46 LEU CD2 . 11117 1 484 . 1 1 46 46 LEU CG C 13 27.963 0.300 . 1 . . . . 46 LEU CG . 11117 1 485 . 1 1 46 46 LEU N N 15 126.841 0.300 . 1 . . . . 46 LEU N . 11117 1 486 . 1 1 47 47 HIS H H 1 9.010 0.030 . 1 . . . . 47 HIS H . 11117 1 487 . 1 1 47 47 HIS HA H 1 5.156 0.030 . 1 . . . . 47 HIS HA . 11117 1 488 . 1 1 47 47 HIS HB2 H 1 2.713 0.030 . 2 . . . . 47 HIS HB2 . 11117 1 489 . 1 1 47 47 HIS HB3 H 1 2.588 0.030 . 2 . . . . 47 HIS HB3 . 11117 1 490 . 1 1 47 47 HIS HD2 H 1 6.483 0.030 . 1 . . . . 47 HIS HD2 . 11117 1 491 . 1 1 47 47 HIS HE1 H 1 7.538 0.030 . 1 . . . . 47 HIS HE1 . 11117 1 492 . 1 1 47 47 HIS C C 13 172.997 0.300 . 1 . . . . 47 HIS C . 11117 1 493 . 1 1 47 47 HIS CA C 13 53.628 0.300 . 1 . . . . 47 HIS CA . 11117 1 494 . 1 1 47 47 HIS CB C 13 34.646 0.300 . 1 . . . . 47 HIS CB . 11117 1 495 . 1 1 47 47 HIS CD2 C 13 115.294 0.300 . 1 . . . . 47 HIS CD2 . 11117 1 496 . 1 1 47 47 HIS CE1 C 13 138.238 0.300 . 1 . . . . 47 HIS CE1 . 11117 1 497 . 1 1 47 47 HIS N N 15 124.365 0.300 . 1 . . . . 47 HIS N . 11117 1 498 . 1 1 48 48 VAL H H 1 8.542 0.030 . 1 . . . . 48 VAL H . 11117 1 499 . 1 1 48 48 VAL HA H 1 4.669 0.030 . 1 . . . . 48 VAL HA . 11117 1 500 . 1 1 48 48 VAL HB H 1 0.346 0.030 . 1 . . . . 48 VAL HB . 11117 1 501 . 1 1 48 48 VAL HG11 H 1 0.456 0.030 . 1 . . . . 48 VAL HG1 . 11117 1 502 . 1 1 48 48 VAL HG12 H 1 0.456 0.030 . 1 . . . . 48 VAL HG1 . 11117 1 503 . 1 1 48 48 VAL HG13 H 1 0.456 0.030 . 1 . . . . 48 VAL HG1 . 11117 1 504 . 1 1 48 48 VAL HG21 H 1 0.479 0.030 . 1 . . . . 48 VAL HG2 . 11117 1 505 . 1 1 48 48 VAL HG22 H 1 0.479 0.030 . 1 . . . . 48 VAL HG2 . 11117 1 506 . 1 1 48 48 VAL HG23 H 1 0.479 0.030 . 1 . . . . 48 VAL HG2 . 11117 1 507 . 1 1 48 48 VAL C C 13 173.674 0.300 . 1 . . . . 48 VAL C . 11117 1 508 . 1 1 48 48 VAL CA C 13 60.507 0.300 . 1 . . . . 48 VAL CA . 11117 1 509 . 1 1 48 48 VAL CB C 13 33.172 0.300 . 1 . . . . 48 VAL CB . 11117 1 510 . 1 1 48 48 VAL CG1 C 13 22.419 0.300 . 2 . . . . 48 VAL CG1 . 11117 1 511 . 1 1 48 48 VAL CG2 C 13 20.899 0.300 . 2 . . . . 48 VAL CG2 . 11117 1 512 . 1 1 48 48 VAL N N 15 125.687 0.300 . 1 . . . . 48 VAL N . 11117 1 513 . 1 1 49 49 LEU H H 1 9.178 0.030 . 1 . . . . 49 LEU H . 11117 1 514 . 1 1 49 49 LEU HA H 1 5.123 0.030 . 1 . . . . 49 LEU HA . 11117 1 515 . 1 1 49 49 LEU HB2 H 1 1.614 0.030 . 2 . . . . 49 LEU HB2 . 11117 1 516 . 1 1 49 49 LEU HB3 H 1 1.427 0.030 . 2 . . . . 49 LEU HB3 . 11117 1 517 . 1 1 49 49 LEU HD11 H 1 0.568 0.030 . 1 . . . . 49 LEU HD1 . 11117 1 518 . 1 1 49 49 LEU HD12 H 1 0.568 0.030 . 1 . . . . 49 LEU HD1 . 11117 1 519 . 1 1 49 49 LEU HD13 H 1 0.568 0.030 . 1 . . . . 49 LEU HD1 . 11117 1 520 . 1 1 49 49 LEU HD21 H 1 0.530 0.030 . 1 . . . . 49 LEU HD2 . 11117 1 521 . 1 1 49 49 LEU HD22 H 1 0.530 0.030 . 1 . . . . 49 LEU HD2 . 11117 1 522 . 1 1 49 49 LEU HD23 H 1 0.530 0.030 . 1 . . . . 49 LEU HD2 . 11117 1 523 . 1 1 49 49 LEU HG H 1 1.363 0.030 . 1 . . . . 49 LEU HG . 11117 1 524 . 1 1 49 49 LEU C C 13 175.933 0.300 . 1 . . . . 49 LEU C . 11117 1 525 . 1 1 49 49 LEU CA C 13 54.888 0.300 . 1 . . . . 49 LEU CA . 11117 1 526 . 1 1 49 49 LEU CB C 13 45.568 0.300 . 1 . . . . 49 LEU CB . 11117 1 527 . 1 1 49 49 LEU CD1 C 13 26.108 0.300 . 2 . . . . 49 LEU CD1 . 11117 1 528 . 1 1 49 49 LEU CD2 C 13 24.940 0.300 . 2 . . . . 49 LEU CD2 . 11117 1 529 . 1 1 49 49 LEU CG C 13 27.634 0.300 . 1 . . . . 49 LEU CG . 11117 1 530 . 1 1 49 49 LEU N N 15 124.716 0.300 . 1 . . . . 49 LEU N . 11117 1 531 . 1 1 50 50 ASN H H 1 8.744 0.030 . 1 . . . . 50 ASN H . 11117 1 532 . 1 1 50 50 ASN HA H 1 4.638 0.030 . 1 . . . . 50 ASN HA . 11117 1 533 . 1 1 50 50 ASN HB2 H 1 2.950 0.030 . 2 . . . . 50 ASN HB2 . 11117 1 534 . 1 1 50 50 ASN HB3 H 1 2.798 0.030 . 2 . . . . 50 ASN HB3 . 11117 1 535 . 1 1 50 50 ASN HD21 H 1 7.159 0.030 . 2 . . . . 50 ASN HD21 . 11117 1 536 . 1 1 50 50 ASN HD22 H 1 6.573 0.030 . 2 . . . . 50 ASN HD22 . 11117 1 537 . 1 1 50 50 ASN C C 13 174.805 0.300 . 1 . . . . 50 ASN C . 11117 1 538 . 1 1 50 50 ASN CA C 13 52.432 0.300 . 1 . . . . 50 ASN CA . 11117 1 539 . 1 1 50 50 ASN CB C 13 40.150 0.300 . 1 . . . . 50 ASN CB . 11117 1 540 . 1 1 50 50 ASN N N 15 119.669 0.300 . 1 . . . . 50 ASN N . 11117 1 541 . 1 1 50 50 ASN ND2 N 15 111.991 0.300 . 1 . . . . 50 ASN ND2 . 11117 1 542 . 1 1 51 51 GLN H H 1 8.624 0.030 . 1 . . . . 51 GLN H . 11117 1 543 . 1 1 51 51 GLN HA H 1 3.886 0.030 . 1 . . . . 51 GLN HA . 11117 1 544 . 1 1 51 51 GLN HB2 H 1 2.170 0.030 . 2 . . . . 51 GLN HB2 . 11117 1 545 . 1 1 51 51 GLN HB3 H 1 2.081 0.030 . 2 . . . . 51 GLN HB3 . 11117 1 546 . 1 1 51 51 GLN HE21 H 1 7.683 0.030 . 2 . . . . 51 GLN HE21 . 11117 1 547 . 1 1 51 51 GLN HE22 H 1 6.815 0.030 . 2 . . . . 51 GLN HE22 . 11117 1 548 . 1 1 51 51 GLN HG2 H 1 2.393 0.030 . 2 . . . . 51 GLN HG2 . 11117 1 549 . 1 1 51 51 GLN HG3 H 1 2.328 0.030 . 2 . . . . 51 GLN HG3 . 11117 1 550 . 1 1 51 51 GLN C C 13 175.485 0.300 . 1 . . . . 51 GLN C . 11117 1 551 . 1 1 51 51 GLN CA C 13 58.563 0.300 . 1 . . . . 51 GLN CA . 11117 1 552 . 1 1 51 51 GLN CB C 13 27.742 0.300 . 1 . . . . 51 GLN CB . 11117 1 553 . 1 1 51 51 GLN CG C 13 33.814 0.300 . 1 . . . . 51 GLN CG . 11117 1 554 . 1 1 51 51 GLN N N 15 118.090 0.300 . 1 . . . . 51 GLN N . 11117 1 555 . 1 1 51 51 GLN NE2 N 15 113.090 0.300 . 1 . . . . 51 GLN NE2 . 11117 1 556 . 1 1 52 52 ASP H H 1 8.372 0.030 . 1 . . . . 52 ASP H . 11117 1 557 . 1 1 52 52 ASP HA H 1 4.792 0.030 . 1 . . . . 52 ASP HA . 11117 1 558 . 1 1 52 52 ASP HB2 H 1 2.797 0.030 . 2 . . . . 52 ASP HB2 . 11117 1 559 . 1 1 52 52 ASP HB3 H 1 2.666 0.030 . 2 . . . . 52 ASP HB3 . 11117 1 560 . 1 1 52 52 ASP C C 13 175.587 0.300 . 1 . . . . 52 ASP C . 11117 1 561 . 1 1 52 52 ASP CA C 13 55.171 0.300 . 1 . . . . 52 ASP CA . 11117 1 562 . 1 1 52 52 ASP CB C 13 42.695 0.300 . 1 . . . . 52 ASP CB . 11117 1 563 . 1 1 52 52 ASP N N 15 118.171 0.300 . 1 . . . . 52 ASP N . 11117 1 564 . 1 1 53 53 GLU H H 1 8.226 0.030 . 1 . . . . 53 GLU H . 11117 1 565 . 1 1 53 53 GLU HA H 1 4.725 0.030 . 1 . . . . 53 GLU HA . 11117 1 566 . 1 1 53 53 GLU HB2 H 1 2.232 0.030 . 2 . . . . 53 GLU HB2 . 11117 1 567 . 1 1 53 53 GLU HB3 H 1 2.102 0.030 . 2 . . . . 53 GLU HB3 . 11117 1 568 . 1 1 53 53 GLU HG2 H 1 2.317 0.030 . 1 . . . . 53 GLU HG2 . 11117 1 569 . 1 1 53 53 GLU HG3 H 1 2.317 0.030 . 1 . . . . 53 GLU HG3 . 11117 1 570 . 1 1 53 53 GLU C C 13 173.843 0.300 . 1 . . . . 53 GLU C . 11117 1 571 . 1 1 53 53 GLU CA C 13 55.718 0.300 . 1 . . . . 53 GLU CA . 11117 1 572 . 1 1 53 53 GLU CB C 13 32.883 0.300 . 1 . . . . 53 GLU CB . 11117 1 573 . 1 1 53 53 GLU CG C 13 36.354 0.300 . 1 . . . . 53 GLU CG . 11117 1 574 . 1 1 53 53 GLU N N 15 120.861 0.300 . 1 . . . . 53 GLU N . 11117 1 575 . 1 1 54 54 GLU H H 1 8.354 0.030 . 1 . . . . 54 GLU H . 11117 1 576 . 1 1 54 54 GLU HA H 1 5.459 0.030 . 1 . . . . 54 GLU HA . 11117 1 577 . 1 1 54 54 GLU HB2 H 1 2.060 0.030 . 2 . . . . 54 GLU HB2 . 11117 1 578 . 1 1 54 54 GLU HB3 H 1 2.033 0.030 . 2 . . . . 54 GLU HB3 . 11117 1 579 . 1 1 54 54 GLU HG2 H 1 2.225 0.030 . 2 . . . . 54 GLU HG2 . 11117 1 580 . 1 1 54 54 GLU HG3 H 1 2.180 0.030 . 2 . . . . 54 GLU HG3 . 11117 1 581 . 1 1 54 54 GLU C C 13 175.302 0.300 . 1 . . . . 54 GLU C . 11117 1 582 . 1 1 54 54 GLU CA C 13 54.928 0.300 . 1 . . . . 54 GLU CA . 11117 1 583 . 1 1 54 54 GLU CB C 13 33.397 0.300 . 1 . . . . 54 GLU CB . 11117 1 584 . 1 1 54 54 GLU CG C 13 35.627 0.300 . 1 . . . . 54 GLU CG . 11117 1 585 . 1 1 54 54 GLU N N 15 119.629 0.300 . 1 . . . . 54 GLU N . 11117 1 586 . 1 1 55 55 TRP H H 1 9.314 0.030 . 1 . . . . 55 TRP H . 11117 1 587 . 1 1 55 55 TRP HA H 1 5.109 0.030 . 1 . . . . 55 TRP HA . 11117 1 588 . 1 1 55 55 TRP HB2 H 1 3.564 0.030 . 2 . . . . 55 TRP HB2 . 11117 1 589 . 1 1 55 55 TRP HB3 H 1 3.357 0.030 . 2 . . . . 55 TRP HB3 . 11117 1 590 . 1 1 55 55 TRP HD1 H 1 7.006 0.030 . 1 . . . . 55 TRP HD1 . 11117 1 591 . 1 1 55 55 TRP HE1 H 1 10.266 0.030 . 1 . . . . 55 TRP HE1 . 11117 1 592 . 1 1 55 55 TRP HE3 H 1 7.333 0.030 . 1 . . . . 55 TRP HE3 . 11117 1 593 . 1 1 55 55 TRP HH2 H 1 7.017 0.030 . 1 . . . . 55 TRP HH2 . 11117 1 594 . 1 1 55 55 TRP HZ2 H 1 7.245 0.030 . 1 . . . . 55 TRP HZ2 . 11117 1 595 . 1 1 55 55 TRP HZ3 H 1 6.990 0.030 . 1 . . . . 55 TRP HZ3 . 11117 1 596 . 1 1 55 55 TRP C C 13 173.240 0.300 . 1 . . . . 55 TRP C . 11117 1 597 . 1 1 55 55 TRP CA C 13 57.529 0.300 . 1 . . . . 55 TRP CA . 11117 1 598 . 1 1 55 55 TRP CB C 13 31.591 0.300 . 1 . . . . 55 TRP CB . 11117 1 599 . 1 1 55 55 TRP CD1 C 13 127.169 0.300 . 1 . . . . 55 TRP CD1 . 11117 1 600 . 1 1 55 55 TRP CE3 C 13 121.317 0.300 . 1 . . . . 55 TRP CE3 . 11117 1 601 . 1 1 55 55 TRP CH2 C 13 124.701 0.300 . 1 . . . . 55 TRP CH2 . 11117 1 602 . 1 1 55 55 TRP CZ2 C 13 114.149 0.300 . 1 . . . . 55 TRP CZ2 . 11117 1 603 . 1 1 55 55 TRP CZ3 C 13 121.317 0.300 . 1 . . . . 55 TRP CZ3 . 11117 1 604 . 1 1 55 55 TRP N N 15 122.807 0.300 . 1 . . . . 55 TRP N . 11117 1 605 . 1 1 55 55 TRP NE1 N 15 129.157 0.300 . 1 . . . . 55 TRP NE1 . 11117 1 606 . 1 1 56 56 HIS H H 1 8.767 0.030 . 1 . . . . 56 HIS H . 11117 1 607 . 1 1 56 56 HIS HA H 1 5.940 0.030 . 1 . . . . 56 HIS HA . 11117 1 608 . 1 1 56 56 HIS HB2 H 1 3.076 0.030 . 2 . . . . 56 HIS HB2 . 11117 1 609 . 1 1 56 56 HIS HD2 H 1 6.846 0.030 . 1 . . . . 56 HIS HD2 . 11117 1 610 . 1 1 56 56 HIS C C 13 175.066 0.300 . 1 . . . . 56 HIS C . 11117 1 611 . 1 1 56 56 HIS CA C 13 53.681 0.300 . 1 . . . . 56 HIS CA . 11117 1 612 . 1 1 56 56 HIS CB C 13 32.384 0.300 . 1 . . . . 56 HIS CB . 11117 1 613 . 1 1 56 56 HIS CD2 C 13 119.604 0.300 . 1 . . . . 56 HIS CD2 . 11117 1 614 . 1 1 56 56 HIS N N 15 117.633 0.300 . 1 . . . . 56 HIS N . 11117 1 615 . 1 1 57 57 GLN H H 1 9.173 0.030 . 1 . . . . 57 GLN H . 11117 1 616 . 1 1 57 57 GLN HA H 1 4.945 0.030 . 1 . . . . 57 GLN HA . 11117 1 617 . 1 1 57 57 GLN HB2 H 1 2.213 0.030 . 1 . . . . 57 GLN HB2 . 11117 1 618 . 1 1 57 57 GLN HB3 H 1 2.213 0.030 . 1 . . . . 57 GLN HB3 . 11117 1 619 . 1 1 57 57 GLN HE21 H 1 7.414 0.030 . 2 . . . . 57 GLN HE21 . 11117 1 620 . 1 1 57 57 GLN HE22 H 1 6.931 0.030 . 2 . . . . 57 GLN HE22 . 11117 1 621 . 1 1 57 57 GLN HG2 H 1 2.375 0.030 . 1 . . . . 57 GLN HG2 . 11117 1 622 . 1 1 57 57 GLN HG3 H 1 2.375 0.030 . 1 . . . . 57 GLN HG3 . 11117 1 623 . 1 1 57 57 GLN C C 13 173.268 0.300 . 1 . . . . 57 GLN C . 11117 1 624 . 1 1 57 57 GLN CA C 13 55.404 0.300 . 1 . . . . 57 GLN CA . 11117 1 625 . 1 1 57 57 GLN CB C 13 33.567 0.300 . 1 . . . . 57 GLN CB . 11117 1 626 . 1 1 57 57 GLN CG C 13 34.394 0.300 . 1 . . . . 57 GLN CG . 11117 1 627 . 1 1 57 57 GLN N N 15 119.509 0.300 . 1 . . . . 57 GLN N . 11117 1 628 . 1 1 57 57 GLN NE2 N 15 109.716 0.300 . 1 . . . . 57 GLN NE2 . 11117 1 629 . 1 1 58 58 MET H H 1 9.031 0.030 . 1 . . . . 58 MET H . 11117 1 630 . 1 1 58 58 MET HA H 1 5.727 0.030 . 1 . . . . 58 MET HA . 11117 1 631 . 1 1 58 58 MET HB2 H 1 2.135 0.030 . 1 . . . . 58 MET HB2 . 11117 1 632 . 1 1 58 58 MET HB3 H 1 2.135 0.030 . 1 . . . . 58 MET HB3 . 11117 1 633 . 1 1 58 58 MET HE1 H 1 2.049 0.030 . 1 . . . . 58 MET HE . 11117 1 634 . 1 1 58 58 MET HE2 H 1 2.049 0.030 . 1 . . . . 58 MET HE . 11117 1 635 . 1 1 58 58 MET HE3 H 1 2.049 0.030 . 1 . . . . 58 MET HE . 11117 1 636 . 1 1 58 58 MET HG2 H 1 2.719 0.030 . 2 . . . . 58 MET HG2 . 11117 1 637 . 1 1 58 58 MET HG3 H 1 2.625 0.030 . 2 . . . . 58 MET HG3 . 11117 1 638 . 1 1 58 58 MET C C 13 176.812 0.300 . 1 . . . . 58 MET C . 11117 1 639 . 1 1 58 58 MET CA C 13 54.499 0.300 . 1 . . . . 58 MET CA . 11117 1 640 . 1 1 58 58 MET CB C 13 33.907 0.300 . 1 . . . . 58 MET CB . 11117 1 641 . 1 1 58 58 MET CE C 13 17.216 0.300 . 1 . . . . 58 MET CE . 11117 1 642 . 1 1 58 58 MET CG C 13 32.578 0.300 . 1 . . . . 58 MET CG . 11117 1 643 . 1 1 58 58 MET N N 15 124.133 0.300 . 1 . . . . 58 MET N . 11117 1 644 . 1 1 59 59 VAL H H 1 9.383 0.030 . 1 . . . . 59 VAL H . 11117 1 645 . 1 1 59 59 VAL HA H 1 4.978 0.030 . 1 . . . . 59 VAL HA . 11117 1 646 . 1 1 59 59 VAL HB H 1 2.677 0.030 . 1 . . . . 59 VAL HB . 11117 1 647 . 1 1 59 59 VAL HG11 H 1 1.313 0.030 . 1 . . . . 59 VAL HG1 . 11117 1 648 . 1 1 59 59 VAL HG12 H 1 1.313 0.030 . 1 . . . . 59 VAL HG1 . 11117 1 649 . 1 1 59 59 VAL HG13 H 1 1.313 0.030 . 1 . . . . 59 VAL HG1 . 11117 1 650 . 1 1 59 59 VAL HG21 H 1 1.391 0.030 . 1 . . . . 59 VAL HG2 . 11117 1 651 . 1 1 59 59 VAL HG22 H 1 1.391 0.030 . 1 . . . . 59 VAL HG2 . 11117 1 652 . 1 1 59 59 VAL HG23 H 1 1.391 0.030 . 1 . . . . 59 VAL HG2 . 11117 1 653 . 1 1 59 59 VAL C C 13 175.320 0.300 . 1 . . . . 59 VAL C . 11117 1 654 . 1 1 59 59 VAL CA C 13 60.436 0.300 . 1 . . . . 59 VAL CA . 11117 1 655 . 1 1 59 59 VAL CB C 13 36.579 0.300 . 1 . . . . 59 VAL CB . 11117 1 656 . 1 1 59 59 VAL CG1 C 13 23.552 0.300 . 2 . . . . 59 VAL CG1 . 11117 1 657 . 1 1 59 59 VAL CG2 C 13 20.822 0.300 . 2 . . . . 59 VAL CG2 . 11117 1 658 . 1 1 59 59 VAL N N 15 118.783 0.300 . 1 . . . . 59 VAL N . 11117 1 659 . 1 1 60 60 LEU H H 1 8.947 0.030 . 1 . . . . 60 LEU H . 11117 1 660 . 1 1 60 60 LEU HA H 1 4.684 0.030 . 1 . . . . 60 LEU HA . 11117 1 661 . 1 1 60 60 LEU HB2 H 1 1.922 0.030 . 2 . . . . 60 LEU HB2 . 11117 1 662 . 1 1 60 60 LEU HB3 H 1 1.766 0.030 . 2 . . . . 60 LEU HB3 . 11117 1 663 . 1 1 60 60 LEU HD11 H 1 1.006 0.030 . 1 . . . . 60 LEU HD1 . 11117 1 664 . 1 1 60 60 LEU HD12 H 1 1.006 0.030 . 1 . . . . 60 LEU HD1 . 11117 1 665 . 1 1 60 60 LEU HD13 H 1 1.006 0.030 . 1 . . . . 60 LEU HD1 . 11117 1 666 . 1 1 60 60 LEU HD21 H 1 0.943 0.030 . 1 . . . . 60 LEU HD2 . 11117 1 667 . 1 1 60 60 LEU HD22 H 1 0.943 0.030 . 1 . . . . 60 LEU HD2 . 11117 1 668 . 1 1 60 60 LEU HD23 H 1 0.943 0.030 . 1 . . . . 60 LEU HD2 . 11117 1 669 . 1 1 60 60 LEU HG H 1 1.774 0.030 . 1 . . . . 60 LEU HG . 11117 1 670 . 1 1 60 60 LEU C C 13 176.120 0.300 . 1 . . . . 60 LEU C . 11117 1 671 . 1 1 60 60 LEU CA C 13 55.436 0.300 . 1 . . . . 60 LEU CA . 11117 1 672 . 1 1 60 60 LEU CB C 13 42.643 0.300 . 1 . . . . 60 LEU CB . 11117 1 673 . 1 1 60 60 LEU CD1 C 13 25.055 0.300 . 2 . . . . 60 LEU CD1 . 11117 1 674 . 1 1 60 60 LEU CD2 C 13 23.304 0.300 . 2 . . . . 60 LEU CD2 . 11117 1 675 . 1 1 60 60 LEU CG C 13 27.634 0.300 . 1 . . . . 60 LEU CG . 11117 1 676 . 1 1 60 60 LEU N N 15 122.091 0.300 . 1 . . . . 60 LEU N . 11117 1 677 . 1 1 61 61 GLU H H 1 7.765 0.030 . 1 . . . . 61 GLU H . 11117 1 678 . 1 1 61 61 GLU HA H 1 4.906 0.030 . 1 . . . . 61 GLU HA . 11117 1 679 . 1 1 61 61 GLU HB2 H 1 2.058 0.030 . 2 . . . . 61 GLU HB2 . 11117 1 680 . 1 1 61 61 GLU HB3 H 1 1.897 0.030 . 2 . . . . 61 GLU HB3 . 11117 1 681 . 1 1 61 61 GLU HG2 H 1 2.304 0.030 . 2 . . . . 61 GLU HG2 . 11117 1 682 . 1 1 61 61 GLU HG3 H 1 2.187 0.030 . 2 . . . . 61 GLU HG3 . 11117 1 683 . 1 1 61 61 GLU C C 13 173.976 0.300 . 1 . . . . 61 GLU C . 11117 1 684 . 1 1 61 61 GLU CA C 13 52.814 0.300 . 1 . . . . 61 GLU CA . 11117 1 685 . 1 1 61 61 GLU CB C 13 30.713 0.300 . 1 . . . . 61 GLU CB . 11117 1 686 . 1 1 61 61 GLU CG C 13 34.752 0.300 . 1 . . . . 61 GLU CG . 11117 1 687 . 1 1 61 61 GLU N N 15 116.499 0.300 . 1 . . . . 61 GLU N . 11117 1 688 . 1 1 62 62 PRO HA H 1 3.363 0.030 . 1 . . . . 62 PRO HA . 11117 1 689 . 1 1 62 62 PRO HB2 H 1 1.401 0.030 . 2 . . . . 62 PRO HB2 . 11117 1 690 . 1 1 62 62 PRO HB3 H 1 0.737 0.030 . 2 . . . . 62 PRO HB3 . 11117 1 691 . 1 1 62 62 PRO HD2 H 1 3.565 0.030 . 2 . . . . 62 PRO HD2 . 11117 1 692 . 1 1 62 62 PRO HD3 H 1 3.525 0.030 . 2 . . . . 62 PRO HD3 . 11117 1 693 . 1 1 62 62 PRO HG2 H 1 1.834 0.030 . 2 . . . . 62 PRO HG2 . 11117 1 694 . 1 1 62 62 PRO HG3 H 1 1.552 0.030 . 2 . . . . 62 PRO HG3 . 11117 1 695 . 1 1 62 62 PRO C C 13 173.409 0.300 . 1 . . . . 62 PRO C . 11117 1 696 . 1 1 62 62 PRO CA C 13 61.729 0.300 . 1 . . . . 62 PRO CA . 11117 1 697 . 1 1 62 62 PRO CB C 13 26.315 0.300 . 1 . . . . 62 PRO CB . 11117 1 698 . 1 1 62 62 PRO CD C 13 49.197 0.300 . 1 . . . . 62 PRO CD . 11117 1 699 . 1 1 62 62 PRO CG C 13 27.333 0.300 . 1 . . . . 62 PRO CG . 11117 1 700 . 1 1 63 63 ARG H H 1 7.876 0.030 . 1 . . . . 63 ARG H . 11117 1 701 . 1 1 63 63 ARG HA H 1 4.168 0.030 . 1 . . . . 63 ARG HA . 11117 1 702 . 1 1 63 63 ARG HB2 H 1 1.576 0.030 . 2 . . . . 63 ARG HB2 . 11117 1 703 . 1 1 63 63 ARG HB3 H 1 1.480 0.030 . 2 . . . . 63 ARG HB3 . 11117 1 704 . 1 1 63 63 ARG HD2 H 1 2.990 0.030 . 2 . . . . 63 ARG HD2 . 11117 1 705 . 1 1 63 63 ARG HD3 H 1 2.890 0.030 . 2 . . . . 63 ARG HD3 . 11117 1 706 . 1 1 63 63 ARG HE H 1 7.420 0.030 . 1 . . . . 63 ARG HE . 11117 1 707 . 1 1 63 63 ARG HG2 H 1 1.072 0.030 . 2 . . . . 63 ARG HG2 . 11117 1 708 . 1 1 63 63 ARG HG3 H 1 1.164 0.030 . 2 . . . . 63 ARG HG3 . 11117 1 709 . 1 1 63 63 ARG C C 13 173.916 0.300 . 1 . . . . 63 ARG C . 11117 1 710 . 1 1 63 63 ARG CA C 13 55.312 0.300 . 1 . . . . 63 ARG CA . 11117 1 711 . 1 1 63 63 ARG CB C 13 31.947 0.300 . 1 . . . . 63 ARG CB . 11117 1 712 . 1 1 63 63 ARG CD C 13 43.043 0.300 . 1 . . . . 63 ARG CD . 11117 1 713 . 1 1 63 63 ARG CG C 13 25.832 0.300 . 1 . . . . 63 ARG CG . 11117 1 714 . 1 1 63 63 ARG N N 15 120.412 0.300 . 1 . . . . 63 ARG N . 11117 1 715 . 1 1 63 63 ARG NE N 15 83.892 0.300 . 1 . . . . 63 ARG NE . 11117 1 716 . 1 1 64 64 VAL H H 1 8.651 0.030 . 1 . . . . 64 VAL H . 11117 1 717 . 1 1 64 64 VAL HA H 1 4.470 0.030 . 1 . . . . 64 VAL HA . 11117 1 718 . 1 1 64 64 VAL HB H 1 2.298 0.030 . 1 . . . . 64 VAL HB . 11117 1 719 . 1 1 64 64 VAL HG11 H 1 0.976 0.030 . 1 . . . . 64 VAL HG1 . 11117 1 720 . 1 1 64 64 VAL HG12 H 1 0.976 0.030 . 1 . . . . 64 VAL HG1 . 11117 1 721 . 1 1 64 64 VAL HG13 H 1 0.976 0.030 . 1 . . . . 64 VAL HG1 . 11117 1 722 . 1 1 64 64 VAL HG21 H 1 1.017 0.030 . 1 . . . . 64 VAL HG2 . 11117 1 723 . 1 1 64 64 VAL HG22 H 1 1.017 0.030 . 1 . . . . 64 VAL HG2 . 11117 1 724 . 1 1 64 64 VAL HG23 H 1 1.017 0.030 . 1 . . . . 64 VAL HG2 . 11117 1 725 . 1 1 64 64 VAL C C 13 170.242 0.300 . 1 . . . . 64 VAL C . 11117 1 726 . 1 1 64 64 VAL CA C 13 60.705 0.300 . 1 . . . . 64 VAL CA . 11117 1 727 . 1 1 64 64 VAL CB C 13 35.520 0.300 . 1 . . . . 64 VAL CB . 11117 1 728 . 1 1 64 64 VAL CG1 C 13 19.723 0.300 . 2 . . . . 64 VAL CG1 . 11117 1 729 . 1 1 64 64 VAL CG2 C 13 22.320 0.300 . 2 . . . . 64 VAL CG2 . 11117 1 730 . 1 1 64 64 VAL N N 15 118.267 0.300 . 1 . . . . 64 VAL N . 11117 1 731 . 1 1 65 65 LEU H H 1 8.294 0.030 . 1 . . . . 65 LEU H . 11117 1 732 . 1 1 65 65 LEU HA H 1 4.962 0.030 . 1 . . . . 65 LEU HA . 11117 1 733 . 1 1 65 65 LEU HB2 H 1 1.804 0.030 . 2 . . . . 65 LEU HB2 . 11117 1 734 . 1 1 65 65 LEU HB3 H 1 1.151 0.030 . 2 . . . . 65 LEU HB3 . 11117 1 735 . 1 1 65 65 LEU HD11 H 1 0.739 0.030 . 1 . . . . 65 LEU HD1 . 11117 1 736 . 1 1 65 65 LEU HD12 H 1 0.739 0.030 . 1 . . . . 65 LEU HD1 . 11117 1 737 . 1 1 65 65 LEU HD13 H 1 0.739 0.030 . 1 . . . . 65 LEU HD1 . 11117 1 738 . 1 1 65 65 LEU HD21 H 1 0.719 0.030 . 1 . . . . 65 LEU HD2 . 11117 1 739 . 1 1 65 65 LEU HD22 H 1 0.719 0.030 . 1 . . . . 65 LEU HD2 . 11117 1 740 . 1 1 65 65 LEU HD23 H 1 0.719 0.030 . 1 . . . . 65 LEU HD2 . 11117 1 741 . 1 1 65 65 LEU HG H 1 1.147 0.030 . 1 . . . . 65 LEU HG . 11117 1 742 . 1 1 65 65 LEU C C 13 176.050 0.300 . 1 . . . . 65 LEU C . 11117 1 743 . 1 1 65 65 LEU CA C 13 53.450 0.300 . 1 . . . . 65 LEU CA . 11117 1 744 . 1 1 65 65 LEU CB C 13 43.371 0.300 . 1 . . . . 65 LEU CB . 11117 1 745 . 1 1 65 65 LEU CD1 C 13 25.407 0.300 . 2 . . . . 65 LEU CD1 . 11117 1 746 . 1 1 65 65 LEU CD2 C 13 23.506 0.300 . 2 . . . . 65 LEU CD2 . 11117 1 747 . 1 1 65 65 LEU CG C 13 27.304 0.300 . 1 . . . . 65 LEU CG . 11117 1 748 . 1 1 65 65 LEU N N 15 128.612 0.300 . 1 . . . . 65 LEU N . 11117 1 749 . 1 1 66 66 LEU H H 1 9.263 0.030 . 1 . . . . 66 LEU H . 11117 1 750 . 1 1 66 66 LEU HA H 1 4.691 0.030 . 1 . . . . 66 LEU HA . 11117 1 751 . 1 1 66 66 LEU HB2 H 1 1.877 0.030 . 2 . . . . 66 LEU HB2 . 11117 1 752 . 1 1 66 66 LEU HB3 H 1 1.363 0.030 . 2 . . . . 66 LEU HB3 . 11117 1 753 . 1 1 66 66 LEU HD11 H 1 0.699 0.030 . 1 . . . . 66 LEU HD1 . 11117 1 754 . 1 1 66 66 LEU HD12 H 1 0.699 0.030 . 1 . . . . 66 LEU HD1 . 11117 1 755 . 1 1 66 66 LEU HD13 H 1 0.699 0.030 . 1 . . . . 66 LEU HD1 . 11117 1 756 . 1 1 66 66 LEU HD21 H 1 0.910 0.030 . 1 . . . . 66 LEU HD2 . 11117 1 757 . 1 1 66 66 LEU HD22 H 1 0.910 0.030 . 1 . . . . 66 LEU HD2 . 11117 1 758 . 1 1 66 66 LEU HD23 H 1 0.910 0.030 . 1 . . . . 66 LEU HD2 . 11117 1 759 . 1 1 66 66 LEU HG H 1 1.649 0.030 . 1 . . . . 66 LEU HG . 11117 1 760 . 1 1 66 66 LEU C C 13 175.879 0.300 . 1 . . . . 66 LEU C . 11117 1 761 . 1 1 66 66 LEU CA C 13 53.916 0.300 . 1 . . . . 66 LEU CA . 11117 1 762 . 1 1 66 66 LEU CB C 13 43.354 0.300 . 1 . . . . 66 LEU CB . 11117 1 763 . 1 1 66 66 LEU CD1 C 13 25.834 0.300 . 2 . . . . 66 LEU CD1 . 11117 1 764 . 1 1 66 66 LEU CD2 C 13 23.970 0.300 . 2 . . . . 66 LEU CD2 . 11117 1 765 . 1 1 66 66 LEU CG C 13 26.660 0.300 . 1 . . . . 66 LEU CG . 11117 1 766 . 1 1 66 66 LEU N N 15 128.731 0.300 . 1 . . . . 66 LEU N . 11117 1 767 . 1 1 67 67 THR H H 1 8.007 0.030 . 1 . . . . 67 THR H . 11117 1 768 . 1 1 67 67 THR HA H 1 4.920 0.030 . 1 . . . . 67 THR HA . 11117 1 769 . 1 1 67 67 THR HB H 1 4.307 0.030 . 1 . . . . 67 THR HB . 11117 1 770 . 1 1 67 67 THR HG21 H 1 1.086 0.030 . 1 . . . . 67 THR HG2 . 11117 1 771 . 1 1 67 67 THR HG22 H 1 1.086 0.030 . 1 . . . . 67 THR HG2 . 11117 1 772 . 1 1 67 67 THR HG23 H 1 1.086 0.030 . 1 . . . . 67 THR HG2 . 11117 1 773 . 1 1 67 67 THR C C 13 172.809 0.300 . 1 . . . . 67 THR C . 11117 1 774 . 1 1 67 67 THR CA C 13 59.712 0.300 . 1 . . . . 67 THR CA . 11117 1 775 . 1 1 67 67 THR CB C 13 71.690 0.300 . 1 . . . . 67 THR CB . 11117 1 776 . 1 1 67 67 THR CG2 C 13 21.701 0.300 . 1 . . . . 67 THR CG2 . 11117 1 777 . 1 1 67 67 THR N N 15 111.825 0.300 . 1 . . . . 67 THR N . 11117 1 778 . 1 1 68 68 LYS H H 1 8.737 0.030 . 1 . . . . 68 LYS H . 11117 1 779 . 1 1 68 68 LYS HA H 1 3.828 0.030 . 1 . . . . 68 LYS HA . 11117 1 780 . 1 1 68 68 LYS HB2 H 1 1.881 0.030 . 1 . . . . 68 LYS HB2 . 11117 1 781 . 1 1 68 68 LYS HB3 H 1 1.881 0.030 . 1 . . . . 68 LYS HB3 . 11117 1 782 . 1 1 68 68 LYS HD2 H 1 1.598 0.030 . 2 . . . . 68 LYS HD2 . 11117 1 783 . 1 1 68 68 LYS HD3 H 1 1.661 0.030 . 2 . . . . 68 LYS HD3 . 11117 1 784 . 1 1 68 68 LYS HE2 H 1 2.952 0.030 . 1 . . . . 68 LYS HE2 . 11117 1 785 . 1 1 68 68 LYS HE3 H 1 2.952 0.030 . 1 . . . . 68 LYS HE3 . 11117 1 786 . 1 1 68 68 LYS HG2 H 1 1.395 0.030 . 2 . . . . 68 LYS HG2 . 11117 1 787 . 1 1 68 68 LYS HG3 H 1 1.342 0.030 . 2 . . . . 68 LYS HG3 . 11117 1 788 . 1 1 68 68 LYS C C 13 176.344 0.300 . 1 . . . . 68 LYS C . 11117 1 789 . 1 1 68 68 LYS CA C 13 57.150 0.300 . 1 . . . . 68 LYS CA . 11117 1 790 . 1 1 68 68 LYS CB C 13 29.206 0.300 . 1 . . . . 68 LYS CB . 11117 1 791 . 1 1 68 68 LYS CD C 13 29.185 0.300 . 1 . . . . 68 LYS CD . 11117 1 792 . 1 1 68 68 LYS CE C 13 42.273 0.300 . 1 . . . . 68 LYS CE . 11117 1 793 . 1 1 68 68 LYS CG C 13 25.228 0.300 . 1 . . . . 68 LYS CG . 11117 1 794 . 1 1 68 68 LYS N N 15 114.089 0.300 . 1 . . . . 68 LYS N . 11117 1 795 . 1 1 69 69 LEU H H 1 8.023 0.030 . 1 . . . . 69 LEU H . 11117 1 796 . 1 1 69 69 LEU HA H 1 4.426 0.030 . 1 . . . . 69 LEU HA . 11117 1 797 . 1 1 69 69 LEU HB2 H 1 1.544 0.030 . 2 . . . . 69 LEU HB2 . 11117 1 798 . 1 1 69 69 LEU HB3 H 1 1.010 0.030 . 2 . . . . 69 LEU HB3 . 11117 1 799 . 1 1 69 69 LEU HD11 H 1 0.174 0.030 . 1 . . . . 69 LEU HD1 . 11117 1 800 . 1 1 69 69 LEU HD12 H 1 0.174 0.030 . 1 . . . . 69 LEU HD1 . 11117 1 801 . 1 1 69 69 LEU HD13 H 1 0.174 0.030 . 1 . . . . 69 LEU HD1 . 11117 1 802 . 1 1 69 69 LEU HD21 H 1 0.274 0.030 . 1 . . . . 69 LEU HD2 . 11117 1 803 . 1 1 69 69 LEU HD22 H 1 0.274 0.030 . 1 . . . . 69 LEU HD2 . 11117 1 804 . 1 1 69 69 LEU HD23 H 1 0.274 0.030 . 1 . . . . 69 LEU HD2 . 11117 1 805 . 1 1 69 69 LEU HG H 1 1.057 0.030 . 1 . . . . 69 LEU HG . 11117 1 806 . 1 1 69 69 LEU C C 13 175.797 0.300 . 1 . . . . 69 LEU C . 11117 1 807 . 1 1 69 69 LEU CA C 13 52.979 0.300 . 1 . . . . 69 LEU CA . 11117 1 808 . 1 1 69 69 LEU CB C 13 41.541 0.300 . 1 . . . . 69 LEU CB . 11117 1 809 . 1 1 69 69 LEU CD1 C 13 26.547 0.300 . 2 . . . . 69 LEU CD1 . 11117 1 810 . 1 1 69 69 LEU CD2 C 13 20.135 0.300 . 2 . . . . 69 LEU CD2 . 11117 1 811 . 1 1 69 69 LEU CG C 13 26.292 0.300 . 1 . . . . 69 LEU CG . 11117 1 812 . 1 1 69 69 LEU N N 15 116.813 0.300 . 1 . . . . 69 LEU N . 11117 1 813 . 1 1 70 70 GLN H H 1 8.319 0.030 . 1 . . . . 70 GLN H . 11117 1 814 . 1 1 70 70 GLN HA H 1 4.894 0.030 . 1 . . . . 70 GLN HA . 11117 1 815 . 1 1 70 70 GLN HB2 H 1 2.098 0.030 . 2 . . . . 70 GLN HB2 . 11117 1 816 . 1 1 70 70 GLN HB3 H 1 1.991 0.030 . 2 . . . . 70 GLN HB3 . 11117 1 817 . 1 1 70 70 GLN HE21 H 1 7.745 0.030 . 2 . . . . 70 GLN HE21 . 11117 1 818 . 1 1 70 70 GLN HE22 H 1 6.868 0.030 . 2 . . . . 70 GLN HE22 . 11117 1 819 . 1 1 70 70 GLN HG2 H 1 2.518 0.030 . 1 . . . . 70 GLN HG2 . 11117 1 820 . 1 1 70 70 GLN HG3 H 1 2.518 0.030 . 1 . . . . 70 GLN HG3 . 11117 1 821 . 1 1 70 70 GLN C C 13 174.218 0.300 . 1 . . . . 70 GLN C . 11117 1 822 . 1 1 70 70 GLN CA C 13 52.273 0.300 . 1 . . . . 70 GLN CA . 11117 1 823 . 1 1 70 70 GLN CB C 13 30.159 0.300 . 1 . . . . 70 GLN CB . 11117 1 824 . 1 1 70 70 GLN CG C 13 33.188 0.300 . 1 . . . . 70 GLN CG . 11117 1 825 . 1 1 70 70 GLN N N 15 118.153 0.300 . 1 . . . . 70 GLN N . 11117 1 826 . 1 1 70 70 GLN NE2 N 15 113.508 0.300 . 1 . . . . 70 GLN NE2 . 11117 1 827 . 1 1 71 71 PRO HA H 1 5.446 0.030 . 1 . . . . 71 PRO HA . 11117 1 828 . 1 1 71 71 PRO HB2 H 1 2.288 0.030 . 2 . . . . 71 PRO HB2 . 11117 1 829 . 1 1 71 71 PRO HB3 H 1 1.837 0.030 . 2 . . . . 71 PRO HB3 . 11117 1 830 . 1 1 71 71 PRO HD2 H 1 3.621 0.030 . 2 . . . . 71 PRO HD2 . 11117 1 831 . 1 1 71 71 PRO HD3 H 1 3.803 0.030 . 2 . . . . 71 PRO HD3 . 11117 1 832 . 1 1 71 71 PRO HG2 H 1 2.055 0.030 . 2 . . . . 71 PRO HG2 . 11117 1 833 . 1 1 71 71 PRO HG3 H 1 1.742 0.030 . 2 . . . . 71 PRO HG3 . 11117 1 834 . 1 1 71 71 PRO C C 13 177.540 0.300 . 1 . . . . 71 PRO C . 11117 1 835 . 1 1 71 71 PRO CA C 13 62.814 0.300 . 1 . . . . 71 PRO CA . 11117 1 836 . 1 1 71 71 PRO CB C 13 32.620 0.300 . 1 . . . . 71 PRO CB . 11117 1 837 . 1 1 71 71 PRO CD C 13 51.119 0.300 . 1 . . . . 71 PRO CD . 11117 1 838 . 1 1 71 71 PRO CG C 13 27.469 0.300 . 1 . . . . 71 PRO CG . 11117 1 839 . 1 1 72 72 ASP H H 1 7.931 0.030 . 1 . . . . 72 ASP H . 11117 1 840 . 1 1 72 72 ASP HA H 1 4.234 0.030 . 1 . . . . 72 ASP HA . 11117 1 841 . 1 1 72 72 ASP HB2 H 1 3.189 0.030 . 2 . . . . 72 ASP HB2 . 11117 1 842 . 1 1 72 72 ASP HB3 H 1 1.980 0.030 . 2 . . . . 72 ASP HB3 . 11117 1 843 . 1 1 72 72 ASP C C 13 174.107 0.300 . 1 . . . . 72 ASP C . 11117 1 844 . 1 1 72 72 ASP CA C 13 54.376 0.300 . 1 . . . . 72 ASP CA . 11117 1 845 . 1 1 72 72 ASP CB C 13 41.528 0.300 . 1 . . . . 72 ASP CB . 11117 1 846 . 1 1 72 72 ASP N N 15 127.157 0.300 . 1 . . . . 72 ASP N . 11117 1 847 . 1 1 73 73 THR H H 1 8.237 0.030 . 1 . . . . 73 THR H . 11117 1 848 . 1 1 73 73 THR HA H 1 4.429 0.030 . 1 . . . . 73 THR HA . 11117 1 849 . 1 1 73 73 THR HB H 1 4.003 0.030 . 1 . . . . 73 THR HB . 11117 1 850 . 1 1 73 73 THR HG21 H 1 0.714 0.030 . 1 . . . . 73 THR HG2 . 11117 1 851 . 1 1 73 73 THR HG22 H 1 0.714 0.030 . 1 . . . . 73 THR HG2 . 11117 1 852 . 1 1 73 73 THR HG23 H 1 0.714 0.030 . 1 . . . . 73 THR HG2 . 11117 1 853 . 1 1 73 73 THR C C 13 172.122 0.300 . 1 . . . . 73 THR C . 11117 1 854 . 1 1 73 73 THR CA C 13 63.022 0.300 . 1 . . . . 73 THR CA . 11117 1 855 . 1 1 73 73 THR CB C 13 71.766 0.300 . 1 . . . . 73 THR CB . 11117 1 856 . 1 1 73 73 THR CG2 C 13 19.937 0.300 . 1 . . . . 73 THR CG2 . 11117 1 857 . 1 1 73 73 THR N N 15 113.464 0.300 . 1 . . . . 73 THR N . 11117 1 858 . 1 1 74 74 THR H H 1 8.443 0.030 . 1 . . . . 74 THR H . 11117 1 859 . 1 1 74 74 THR HA H 1 4.654 0.030 . 1 . . . . 74 THR HA . 11117 1 860 . 1 1 74 74 THR HB H 1 3.917 0.030 . 1 . . . . 74 THR HB . 11117 1 861 . 1 1 74 74 THR HG21 H 1 1.090 0.030 . 1 . . . . 74 THR HG2 . 11117 1 862 . 1 1 74 74 THR HG22 H 1 1.090 0.030 . 1 . . . . 74 THR HG2 . 11117 1 863 . 1 1 74 74 THR HG23 H 1 1.090 0.030 . 1 . . . . 74 THR HG2 . 11117 1 864 . 1 1 74 74 THR C C 13 173.099 0.300 . 1 . . . . 74 THR C . 11117 1 865 . 1 1 74 74 THR CA C 13 63.105 0.300 . 1 . . . . 74 THR CA . 11117 1 866 . 1 1 74 74 THR CB C 13 69.222 0.300 . 1 . . . . 74 THR CB . 11117 1 867 . 1 1 74 74 THR CG2 C 13 22.472 0.300 . 1 . . . . 74 THR CG2 . 11117 1 868 . 1 1 74 74 THR N N 15 123.182 0.300 . 1 . . . . 74 THR N . 11117 1 869 . 1 1 75 75 TYR H H 1 9.370 0.030 . 1 . . . . 75 TYR H . 11117 1 870 . 1 1 75 75 TYR HA H 1 4.636 0.030 . 1 . . . . 75 TYR HA . 11117 1 871 . 1 1 75 75 TYR HB2 H 1 2.582 0.030 . 1 . . . . 75 TYR HB2 . 11117 1 872 . 1 1 75 75 TYR HB3 H 1 2.582 0.030 . 1 . . . . 75 TYR HB3 . 11117 1 873 . 1 1 75 75 TYR HD1 H 1 6.961 0.030 . 1 . . . . 75 TYR HD1 . 11117 1 874 . 1 1 75 75 TYR HD2 H 1 6.961 0.030 . 1 . . . . 75 TYR HD2 . 11117 1 875 . 1 1 75 75 TYR HE1 H 1 6.916 0.030 . 1 . . . . 75 TYR HE1 . 11117 1 876 . 1 1 75 75 TYR HE2 H 1 6.916 0.030 . 1 . . . . 75 TYR HE2 . 11117 1 877 . 1 1 75 75 TYR C C 13 173.935 0.300 . 1 . . . . 75 TYR C . 11117 1 878 . 1 1 75 75 TYR CA C 13 58.263 0.300 . 1 . . . . 75 TYR CA . 11117 1 879 . 1 1 75 75 TYR CB C 13 41.004 0.300 . 1 . . . . 75 TYR CB . 11117 1 880 . 1 1 75 75 TYR CD1 C 13 133.259 0.300 . 1 . . . . 75 TYR CD1 . 11117 1 881 . 1 1 75 75 TYR CD2 C 13 133.259 0.300 . 1 . . . . 75 TYR CD2 . 11117 1 882 . 1 1 75 75 TYR CE1 C 13 118.711 0.300 . 1 . . . . 75 TYR CE1 . 11117 1 883 . 1 1 75 75 TYR CE2 C 13 118.711 0.300 . 1 . . . . 75 TYR CE2 . 11117 1 884 . 1 1 75 75 TYR N N 15 127.125 0.300 . 1 . . . . 75 TYR N . 11117 1 885 . 1 1 76 76 ILE H H 1 9.061 0.030 . 1 . . . . 76 ILE H . 11117 1 886 . 1 1 76 76 ILE HA H 1 4.856 0.030 . 1 . . . . 76 ILE HA . 11117 1 887 . 1 1 76 76 ILE HB H 1 1.769 0.030 . 1 . . . . 76 ILE HB . 11117 1 888 . 1 1 76 76 ILE HD11 H 1 0.721 0.030 . 1 . . . . 76 ILE HD1 . 11117 1 889 . 1 1 76 76 ILE HD12 H 1 0.721 0.030 . 1 . . . . 76 ILE HD1 . 11117 1 890 . 1 1 76 76 ILE HD13 H 1 0.721 0.030 . 1 . . . . 76 ILE HD1 . 11117 1 891 . 1 1 76 76 ILE HG12 H 1 1.454 0.030 . 2 . . . . 76 ILE HG12 . 11117 1 892 . 1 1 76 76 ILE HG13 H 1 1.078 0.030 . 2 . . . . 76 ILE HG13 . 11117 1 893 . 1 1 76 76 ILE HG21 H 1 0.660 0.030 . 1 . . . . 76 ILE HG2 . 11117 1 894 . 1 1 76 76 ILE HG22 H 1 0.660 0.030 . 1 . . . . 76 ILE HG2 . 11117 1 895 . 1 1 76 76 ILE HG23 H 1 0.660 0.030 . 1 . . . . 76 ILE HG2 . 11117 1 896 . 1 1 76 76 ILE C C 13 175.639 0.300 . 1 . . . . 76 ILE C . 11117 1 897 . 1 1 76 76 ILE CA C 13 59.606 0.300 . 1 . . . . 76 ILE CA . 11117 1 898 . 1 1 76 76 ILE CB C 13 37.904 0.300 . 1 . . . . 76 ILE CB . 11117 1 899 . 1 1 76 76 ILE CD1 C 13 12.668 0.300 . 1 . . . . 76 ILE CD1 . 11117 1 900 . 1 1 76 76 ILE CG1 C 13 28.122 0.300 . 1 . . . . 76 ILE CG1 . 11117 1 901 . 1 1 76 76 ILE CG2 C 13 17.705 0.300 . 1 . . . . 76 ILE CG2 . 11117 1 902 . 1 1 76 76 ILE N N 15 123.591 0.300 . 1 . . . . 76 ILE N . 11117 1 903 . 1 1 77 77 VAL H H 1 9.203 0.030 . 1 . . . . 77 VAL H . 11117 1 904 . 1 1 77 77 VAL HA H 1 5.109 0.030 . 1 . . . . 77 VAL HA . 11117 1 905 . 1 1 77 77 VAL HB H 1 1.832 0.030 . 1 . . . . 77 VAL HB . 11117 1 906 . 1 1 77 77 VAL HG11 H 1 0.708 0.030 . 1 . . . . 77 VAL HG1 . 11117 1 907 . 1 1 77 77 VAL HG12 H 1 0.708 0.030 . 1 . . . . 77 VAL HG1 . 11117 1 908 . 1 1 77 77 VAL HG13 H 1 0.708 0.030 . 1 . . . . 77 VAL HG1 . 11117 1 909 . 1 1 77 77 VAL HG21 H 1 0.933 0.030 . 1 . . . . 77 VAL HG2 . 11117 1 910 . 1 1 77 77 VAL HG22 H 1 0.933 0.030 . 1 . . . . 77 VAL HG2 . 11117 1 911 . 1 1 77 77 VAL HG23 H 1 0.933 0.030 . 1 . . . . 77 VAL HG2 . 11117 1 912 . 1 1 77 77 VAL C C 13 174.410 0.300 . 1 . . . . 77 VAL C . 11117 1 913 . 1 1 77 77 VAL CA C 13 60.507 0.300 . 1 . . . . 77 VAL CA . 11117 1 914 . 1 1 77 77 VAL CB C 13 35.499 0.300 . 1 . . . . 77 VAL CB . 11117 1 915 . 1 1 77 77 VAL CG1 C 13 22.670 0.300 . 2 . . . . 77 VAL CG1 . 11117 1 916 . 1 1 77 77 VAL CG2 C 13 21.480 0.300 . 2 . . . . 77 VAL CG2 . 11117 1 917 . 1 1 77 77 VAL N N 15 125.656 0.300 . 1 . . . . 77 VAL N . 11117 1 918 . 1 1 78 78 ARG H H 1 8.545 0.030 . 1 . . . . 78 ARG H . 11117 1 919 . 1 1 78 78 ARG HA H 1 4.640 0.030 . 1 . . . . 78 ARG HA . 11117 1 920 . 1 1 78 78 ARG HB2 H 1 1.960 0.030 . 2 . . . . 78 ARG HB2 . 11117 1 921 . 1 1 78 78 ARG HB3 H 1 1.569 0.030 . 2 . . . . 78 ARG HB3 . 11117 1 922 . 1 1 78 78 ARG HD2 H 1 2.581 0.030 . 2 . . . . 78 ARG HD2 . 11117 1 923 . 1 1 78 78 ARG HD3 H 1 2.437 0.030 . 2 . . . . 78 ARG HD3 . 11117 1 924 . 1 1 78 78 ARG HE H 1 7.636 0.030 . 1 . . . . 78 ARG HE . 11117 1 925 . 1 1 78 78 ARG HG2 H 1 1.449 0.030 . 2 . . . . 78 ARG HG2 . 11117 1 926 . 1 1 78 78 ARG HG3 H 1 1.165 0.030 . 2 . . . . 78 ARG HG3 . 11117 1 927 . 1 1 78 78 ARG C C 13 173.656 0.300 . 1 . . . . 78 ARG C . 11117 1 928 . 1 1 78 78 ARG CA C 13 54.447 0.300 . 1 . . . . 78 ARG CA . 11117 1 929 . 1 1 78 78 ARG CB C 13 33.864 0.300 . 1 . . . . 78 ARG CB . 11117 1 930 . 1 1 78 78 ARG CD C 13 43.132 0.300 . 1 . . . . 78 ARG CD . 11117 1 931 . 1 1 78 78 ARG CG C 13 26.727 0.300 . 1 . . . . 78 ARG CG . 11117 1 932 . 1 1 78 78 ARG N N 15 121.966 0.300 . 1 . . . . 78 ARG N . 11117 1 933 . 1 1 78 78 ARG NE N 15 85.239 0.300 . 1 . . . . 78 ARG NE . 11117 1 934 . 1 1 79 79 VAL H H 1 8.447 0.030 . 1 . . . . 79 VAL H . 11117 1 935 . 1 1 79 79 VAL HA H 1 5.564 0.030 . 1 . . . . 79 VAL HA . 11117 1 936 . 1 1 79 79 VAL HB H 1 1.133 0.030 . 1 . . . . 79 VAL HB . 11117 1 937 . 1 1 79 79 VAL HG11 H 1 0.165 0.030 . 1 . . . . 79 VAL HG1 . 11117 1 938 . 1 1 79 79 VAL HG12 H 1 0.165 0.030 . 1 . . . . 79 VAL HG1 . 11117 1 939 . 1 1 79 79 VAL HG13 H 1 0.165 0.030 . 1 . . . . 79 VAL HG1 . 11117 1 940 . 1 1 79 79 VAL HG21 H 1 0.050 0.030 . 1 . . . . 79 VAL HG2 . 11117 1 941 . 1 1 79 79 VAL HG22 H 1 0.050 0.030 . 1 . . . . 79 VAL HG2 . 11117 1 942 . 1 1 79 79 VAL HG23 H 1 0.050 0.030 . 1 . . . . 79 VAL HG2 . 11117 1 943 . 1 1 79 79 VAL C C 13 173.240 0.300 . 1 . . . . 79 VAL C . 11117 1 944 . 1 1 79 79 VAL CA C 13 59.093 0.300 . 1 . . . . 79 VAL CA . 11117 1 945 . 1 1 79 79 VAL CB C 13 36.196 0.300 . 1 . . . . 79 VAL CB . 11117 1 946 . 1 1 79 79 VAL CG1 C 13 19.671 0.300 . 2 . . . . 79 VAL CG1 . 11117 1 947 . 1 1 79 79 VAL CG2 C 13 21.704 0.300 . 2 . . . . 79 VAL CG2 . 11117 1 948 . 1 1 79 79 VAL N N 15 119.509 0.300 . 1 . . . . 79 VAL N . 11117 1 949 . 1 1 80 80 ARG H H 1 8.926 0.030 . 1 . . . . 80 ARG H . 11117 1 950 . 1 1 80 80 ARG HA H 1 4.993 0.030 . 1 . . . . 80 ARG HA . 11117 1 951 . 1 1 80 80 ARG HB2 H 1 1.372 0.030 . 2 . . . . 80 ARG HB2 . 11117 1 952 . 1 1 80 80 ARG HB3 H 1 0.645 0.030 . 2 . . . . 80 ARG HB3 . 11117 1 953 . 1 1 80 80 ARG HD2 H 1 2.735 0.030 . 2 . . . . 80 ARG HD2 . 11117 1 954 . 1 1 80 80 ARG HD3 H 1 0.902 0.030 . 2 . . . . 80 ARG HD3 . 11117 1 955 . 1 1 80 80 ARG HE H 1 6.281 0.030 . 1 . . . . 80 ARG HE . 11117 1 956 . 1 1 80 80 ARG HG2 H 1 1.071 0.030 . 2 . . . . 80 ARG HG2 . 11117 1 957 . 1 1 80 80 ARG HG3 H 1 0.982 0.030 . 2 . . . . 80 ARG HG3 . 11117 1 958 . 1 1 80 80 ARG C C 13 174.360 0.300 . 1 . . . . 80 ARG C . 11117 1 959 . 1 1 80 80 ARG CA C 13 53.577 0.300 . 1 . . . . 80 ARG CA . 11117 1 960 . 1 1 80 80 ARG CB C 13 34.565 0.300 . 1 . . . . 80 ARG CB . 11117 1 961 . 1 1 80 80 ARG CD C 13 43.494 0.300 . 1 . . . . 80 ARG CD . 11117 1 962 . 1 1 80 80 ARG CG C 13 24.758 0.300 . 1 . . . . 80 ARG CG . 11117 1 963 . 1 1 80 80 ARG N N 15 122.970 0.300 . 1 . . . . 80 ARG N . 11117 1 964 . 1 1 80 80 ARG NE N 15 83.005 0.300 . 1 . . . . 80 ARG NE . 11117 1 965 . 1 1 81 81 THR H H 1 9.103 0.030 . 1 . . . . 81 THR H . 11117 1 966 . 1 1 81 81 THR HA H 1 4.510 0.030 . 1 . . . . 81 THR HA . 11117 1 967 . 1 1 81 81 THR HB H 1 3.994 0.030 . 1 . . . . 81 THR HB . 11117 1 968 . 1 1 81 81 THR HG21 H 1 1.242 0.030 . 1 . . . . 81 THR HG2 . 11117 1 969 . 1 1 81 81 THR HG22 H 1 1.242 0.030 . 1 . . . . 81 THR HG2 . 11117 1 970 . 1 1 81 81 THR HG23 H 1 1.242 0.030 . 1 . . . . 81 THR HG2 . 11117 1 971 . 1 1 81 81 THR C C 13 173.503 0.300 . 1 . . . . 81 THR C . 11117 1 972 . 1 1 81 81 THR CA C 13 62.099 0.300 . 1 . . . . 81 THR CA . 11117 1 973 . 1 1 81 81 THR CB C 13 70.103 0.300 . 1 . . . . 81 THR CB . 11117 1 974 . 1 1 81 81 THR CG2 C 13 23.206 0.300 . 1 . . . . 81 THR CG2 . 11117 1 975 . 1 1 81 81 THR N N 15 116.465 0.300 . 1 . . . . 81 THR N . 11117 1 976 . 1 1 82 82 LEU H H 1 8.619 0.030 . 1 . . . . 82 LEU H . 11117 1 977 . 1 1 82 82 LEU HA H 1 4.483 0.030 . 1 . . . . 82 LEU HA . 11117 1 978 . 1 1 82 82 LEU HB2 H 1 1.602 0.030 . 2 . . . . 82 LEU HB2 . 11117 1 979 . 1 1 82 82 LEU HB3 H 1 1.285 0.030 . 2 . . . . 82 LEU HB3 . 11117 1 980 . 1 1 82 82 LEU HD11 H 1 0.802 0.030 . 1 . . . . 82 LEU HD1 . 11117 1 981 . 1 1 82 82 LEU HD12 H 1 0.802 0.030 . 1 . . . . 82 LEU HD1 . 11117 1 982 . 1 1 82 82 LEU HD13 H 1 0.802 0.030 . 1 . . . . 82 LEU HD1 . 11117 1 983 . 1 1 82 82 LEU HD21 H 1 0.802 0.030 . 1 . . . . 82 LEU HD2 . 11117 1 984 . 1 1 82 82 LEU HD22 H 1 0.802 0.030 . 1 . . . . 82 LEU HD2 . 11117 1 985 . 1 1 82 82 LEU HD23 H 1 0.802 0.030 . 1 . . . . 82 LEU HD2 . 11117 1 986 . 1 1 82 82 LEU HG H 1 1.391 0.030 . 1 . . . . 82 LEU HG . 11117 1 987 . 1 1 82 82 LEU C C 13 175.508 0.300 . 1 . . . . 82 LEU C . 11117 1 988 . 1 1 82 82 LEU CA C 13 54.870 0.300 . 1 . . . . 82 LEU CA . 11117 1 989 . 1 1 82 82 LEU CB C 13 42.046 0.300 . 1 . . . . 82 LEU CB . 11117 1 990 . 1 1 82 82 LEU CD1 C 13 25.299 0.300 . 2 . . . . 82 LEU CD1 . 11117 1 991 . 1 1 82 82 LEU CD2 C 13 23.196 0.300 . 2 . . . . 82 LEU CD2 . 11117 1 992 . 1 1 82 82 LEU CG C 13 27.222 0.300 . 1 . . . . 82 LEU CG . 11117 1 993 . 1 1 82 82 LEU N N 15 124.432 0.300 . 1 . . . . 82 LEU N . 11117 1 994 . 1 1 83 83 THR H H 1 7.240 0.030 . 1 . . . . 83 THR H . 11117 1 995 . 1 1 83 83 THR HA H 1 5.099 0.030 . 1 . . . . 83 THR HA . 11117 1 996 . 1 1 83 83 THR HB H 1 4.633 0.030 . 1 . . . . 83 THR HB . 11117 1 997 . 1 1 83 83 THR HG21 H 1 1.195 0.030 . 1 . . . . 83 THR HG2 . 11117 1 998 . 1 1 83 83 THR HG22 H 1 1.195 0.030 . 1 . . . . 83 THR HG2 . 11117 1 999 . 1 1 83 83 THR HG23 H 1 1.195 0.030 . 1 . . . . 83 THR HG2 . 11117 1 1000 . 1 1 83 83 THR C C 13 174.896 0.300 . 1 . . . . 83 THR C . 11117 1 1001 . 1 1 83 83 THR CA C 13 59.490 0.300 . 1 . . . . 83 THR CA . 11117 1 1002 . 1 1 83 83 THR CB C 13 69.898 0.300 . 1 . . . . 83 THR CB . 11117 1 1003 . 1 1 83 83 THR CG2 C 13 21.010 0.300 . 1 . . . . 83 THR CG2 . 11117 1 1004 . 1 1 83 83 THR N N 15 112.964 0.300 . 1 . . . . 83 THR N . 11117 1 1005 . 1 1 84 84 PRO HA H 1 4.395 0.030 . 1 . . . . 84 PRO HA . 11117 1 1006 . 1 1 84 84 PRO HB2 H 1 2.488 0.030 . 2 . . . . 84 PRO HB2 . 11117 1 1007 . 1 1 84 84 PRO HB3 H 1 1.857 0.030 . 2 . . . . 84 PRO HB3 . 11117 1 1008 . 1 1 84 84 PRO HD2 H 1 4.012 0.030 . 2 . . . . 84 PRO HD2 . 11117 1 1009 . 1 1 84 84 PRO HD3 H 1 3.802 0.030 . 2 . . . . 84 PRO HD3 . 11117 1 1010 . 1 1 84 84 PRO HG2 H 1 2.154 0.030 . 2 . . . . 84 PRO HG2 . 11117 1 1011 . 1 1 84 84 PRO HG3 H 1 2.008 0.030 . 2 . . . . 84 PRO HG3 . 11117 1 1012 . 1 1 84 84 PRO C C 13 177.047 0.300 . 1 . . . . 84 PRO C . 11117 1 1013 . 1 1 84 84 PRO CA C 13 64.997 0.300 . 1 . . . . 84 PRO CA . 11117 1 1014 . 1 1 84 84 PRO CB C 13 31.988 0.300 . 1 . . . . 84 PRO CB . 11117 1 1015 . 1 1 84 84 PRO CD C 13 51.107 0.300 . 1 . . . . 84 PRO CD . 11117 1 1016 . 1 1 84 84 PRO CG C 13 28.211 0.300 . 1 . . . . 84 PRO CG . 11117 1 1017 . 1 1 85 85 LEU H H 1 7.529 0.030 . 1 . . . . 85 LEU H . 11117 1 1018 . 1 1 85 85 LEU HA H 1 4.390 0.030 . 1 . . . . 85 LEU HA . 11117 1 1019 . 1 1 85 85 LEU HB2 H 1 1.666 0.030 . 2 . . . . 85 LEU HB2 . 11117 1 1020 . 1 1 85 85 LEU HB3 H 1 1.490 0.030 . 2 . . . . 85 LEU HB3 . 11117 1 1021 . 1 1 85 85 LEU HD11 H 1 0.893 0.030 . 1 . . . . 85 LEU HD1 . 11117 1 1022 . 1 1 85 85 LEU HD12 H 1 0.893 0.030 . 1 . . . . 85 LEU HD1 . 11117 1 1023 . 1 1 85 85 LEU HD13 H 1 0.893 0.030 . 1 . . . . 85 LEU HD1 . 11117 1 1024 . 1 1 85 85 LEU HD21 H 1 0.835 0.030 . 1 . . . . 85 LEU HD2 . 11117 1 1025 . 1 1 85 85 LEU HD22 H 1 0.835 0.030 . 1 . . . . 85 LEU HD2 . 11117 1 1026 . 1 1 85 85 LEU HD23 H 1 0.835 0.030 . 1 . . . . 85 LEU HD2 . 11117 1 1027 . 1 1 85 85 LEU HG H 1 1.598 0.030 . 1 . . . . 85 LEU HG . 11117 1 1028 . 1 1 85 85 LEU C C 13 176.799 0.300 . 1 . . . . 85 LEU C . 11117 1 1029 . 1 1 85 85 LEU CA C 13 54.623 0.300 . 1 . . . . 85 LEU CA . 11117 1 1030 . 1 1 85 85 LEU CB C 13 41.886 0.300 . 1 . . . . 85 LEU CB . 11117 1 1031 . 1 1 85 85 LEU CD1 C 13 25.071 0.300 . 2 . . . . 85 LEU CD1 . 11117 1 1032 . 1 1 85 85 LEU CD2 C 13 22.837 0.300 . 2 . . . . 85 LEU CD2 . 11117 1 1033 . 1 1 85 85 LEU CG C 13 27.247 0.300 . 1 . . . . 85 LEU CG . 11117 1 1034 . 1 1 85 85 LEU N N 15 114.818 0.300 . 1 . . . . 85 LEU N . 11117 1 1035 . 1 1 86 86 GLY H H 1 7.678 0.030 . 1 . . . . 86 GLY H . 11117 1 1036 . 1 1 86 86 GLY HA2 H 1 4.659 0.030 . 2 . . . . 86 GLY HA2 . 11117 1 1037 . 1 1 86 86 GLY HA3 H 1 3.863 0.030 . 2 . . . . 86 GLY HA3 . 11117 1 1038 . 1 1 86 86 GLY C C 13 172.282 0.300 . 1 . . . . 86 GLY C . 11117 1 1039 . 1 1 86 86 GLY CA C 13 43.948 0.300 . 1 . . . . 86 GLY CA . 11117 1 1040 . 1 1 86 86 GLY N N 15 108.572 0.300 . 1 . . . . 86 GLY N . 11117 1 1041 . 1 1 87 87 PRO HA H 1 4.925 0.030 . 1 . . . . 87 PRO HA . 11117 1 1042 . 1 1 87 87 PRO HB2 H 1 1.990 0.030 . 2 . . . . 87 PRO HB2 . 11117 1 1043 . 1 1 87 87 PRO HB3 H 1 1.870 0.030 . 2 . . . . 87 PRO HB3 . 11117 1 1044 . 1 1 87 87 PRO HD2 H 1 3.611 0.030 . 1 . . . . 87 PRO HD2 . 11117 1 1045 . 1 1 87 87 PRO HD3 H 1 3.611 0.030 . 1 . . . . 87 PRO HD3 . 11117 1 1046 . 1 1 87 87 PRO HG2 H 1 2.027 0.030 . 2 . . . . 87 PRO HG2 . 11117 1 1047 . 1 1 87 87 PRO HG3 H 1 1.918 0.030 . 2 . . . . 87 PRO HG3 . 11117 1 1048 . 1 1 87 87 PRO C C 13 178.235 0.300 . 1 . . . . 87 PRO C . 11117 1 1049 . 1 1 87 87 PRO CA C 13 62.622 0.300 . 1 . . . . 87 PRO CA . 11117 1 1050 . 1 1 87 87 PRO CB C 13 32.023 0.300 . 1 . . . . 87 PRO CB . 11117 1 1051 . 1 1 87 87 PRO CD C 13 49.883 0.300 . 1 . . . . 87 PRO CD . 11117 1 1052 . 1 1 87 87 PRO CG C 13 26.773 0.300 . 1 . . . . 87 PRO CG . 11117 1 1053 . 1 1 88 88 GLY H H 1 8.855 0.030 . 1 . . . . 88 GLY H . 11117 1 1054 . 1 1 88 88 GLY HA2 H 1 4.350 0.030 . 2 . . . . 88 GLY HA2 . 11117 1 1055 . 1 1 88 88 GLY HA3 H 1 3.887 0.030 . 2 . . . . 88 GLY HA3 . 11117 1 1056 . 1 1 88 88 GLY C C 13 170.975 0.300 . 1 . . . . 88 GLY C . 11117 1 1057 . 1 1 88 88 GLY CA C 13 43.935 0.300 . 1 . . . . 88 GLY CA . 11117 1 1058 . 1 1 88 88 GLY N N 15 111.661 0.300 . 1 . . . . 88 GLY N . 11117 1 1059 . 1 1 89 89 PRO HA H 1 4.421 0.030 . 1 . . . . 89 PRO HA . 11117 1 1060 . 1 1 89 89 PRO HB2 H 1 2.294 0.030 . 2 . . . . 89 PRO HB2 . 11117 1 1061 . 1 1 89 89 PRO HB3 H 1 1.855 0.030 . 2 . . . . 89 PRO HB3 . 11117 1 1062 . 1 1 89 89 PRO HD2 H 1 3.568 0.030 . 1 . . . . 89 PRO HD2 . 11117 1 1063 . 1 1 89 89 PRO HD3 H 1 3.568 0.030 . 1 . . . . 89 PRO HD3 . 11117 1 1064 . 1 1 89 89 PRO HG2 H 1 1.990 0.030 . 2 . . . . 89 PRO HG2 . 11117 1 1065 . 1 1 89 89 PRO C C 13 178.483 0.300 . 1 . . . . 89 PRO C . 11117 1 1066 . 1 1 89 89 PRO CA C 13 62.215 0.300 . 1 . . . . 89 PRO CA . 11117 1 1067 . 1 1 89 89 PRO CB C 13 32.107 0.300 . 1 . . . . 89 PRO CB . 11117 1 1068 . 1 1 89 89 PRO CD C 13 49.164 0.300 . 1 . . . . 89 PRO CD . 11117 1 1069 . 1 1 89 89 PRO CG C 13 27.304 0.300 . 1 . . . . 89 PRO CG . 11117 1 1070 . 1 1 90 90 PHE H H 1 8.745 0.030 . 1 . . . . 90 PHE H . 11117 1 1071 . 1 1 90 90 PHE HA H 1 4.608 0.030 . 1 . . . . 90 PHE HA . 11117 1 1072 . 1 1 90 90 PHE HB2 H 1 3.375 0.030 . 2 . . . . 90 PHE HB2 . 11117 1 1073 . 1 1 90 90 PHE HB3 H 1 2.815 0.030 . 2 . . . . 90 PHE HB3 . 11117 1 1074 . 1 1 90 90 PHE HD1 H 1 7.131 0.030 . 1 . . . . 90 PHE HD1 . 11117 1 1075 . 1 1 90 90 PHE HD2 H 1 7.131 0.030 . 1 . . . . 90 PHE HD2 . 11117 1 1076 . 1 1 90 90 PHE HE1 H 1 7.079 0.030 . 1 . . . . 90 PHE HE1 . 11117 1 1077 . 1 1 90 90 PHE HE2 H 1 7.079 0.030 . 1 . . . . 90 PHE HE2 . 11117 1 1078 . 1 1 90 90 PHE HZ H 1 6.694 0.030 . 1 . . . . 90 PHE HZ . 11117 1 1079 . 1 1 90 90 PHE C C 13 177.990 0.300 . 1 . . . . 90 PHE C . 11117 1 1080 . 1 1 90 90 PHE CA C 13 60.224 0.300 . 1 . . . . 90 PHE CA . 11117 1 1081 . 1 1 90 90 PHE CB C 13 40.165 0.300 . 1 . . . . 90 PHE CB . 11117 1 1082 . 1 1 90 90 PHE CD1 C 13 131.790 0.300 . 1 . . . . 90 PHE CD1 . 11117 1 1083 . 1 1 90 90 PHE CD2 C 13 131.790 0.300 . 1 . . . . 90 PHE CD2 . 11117 1 1084 . 1 1 90 90 PHE CE1 C 13 131.516 0.300 . 1 . . . . 90 PHE CE1 . 11117 1 1085 . 1 1 90 90 PHE CE2 C 13 131.516 0.300 . 1 . . . . 90 PHE CE2 . 11117 1 1086 . 1 1 90 90 PHE CZ C 13 128.956 0.300 . 1 . . . . 90 PHE CZ . 11117 1 1087 . 1 1 90 90 PHE N N 15 120.162 0.300 . 1 . . . . 90 PHE N . 11117 1 1088 . 1 1 91 91 SER H H 1 9.233 0.030 . 1 . . . . 91 SER H . 11117 1 1089 . 1 1 91 91 SER HB2 H 1 4.058 0.030 . 2 . . . . 91 SER HB2 . 11117 1 1090 . 1 1 91 91 SER HB3 H 1 4.582 0.030 . 2 . . . . 91 SER HB3 . 11117 1 1091 . 1 1 91 91 SER C C 13 170.709 0.300 . 1 . . . . 91 SER C . 11117 1 1092 . 1 1 91 91 SER CA C 13 57.593 0.300 . 1 . . . . 91 SER CA . 11117 1 1093 . 1 1 91 91 SER CB C 13 63.669 0.300 . 1 . . . . 91 SER CB . 11117 1 1094 . 1 1 91 91 SER N N 15 117.056 0.300 . 1 . . . . 91 SER N . 11117 1 1095 . 1 1 92 92 PRO HA H 1 4.563 0.030 . 1 . . . . 92 PRO HA . 11117 1 1096 . 1 1 92 92 PRO HB2 H 1 2.404 0.030 . 2 . . . . 92 PRO HB2 . 11117 1 1097 . 1 1 92 92 PRO HB3 H 1 1.614 0.030 . 2 . . . . 92 PRO HB3 . 11117 1 1098 . 1 1 92 92 PRO HD2 H 1 3.857 0.030 . 2 . . . . 92 PRO HD2 . 11117 1 1099 . 1 1 92 92 PRO HD3 H 1 4.039 0.030 . 2 . . . . 92 PRO HD3 . 11117 1 1100 . 1 1 92 92 PRO HG2 H 1 2.094 0.030 . 2 . . . . 92 PRO HG2 . 11117 1 1101 . 1 1 92 92 PRO HG3 H 1 2.060 0.030 . 2 . . . . 92 PRO HG3 . 11117 1 1102 . 1 1 92 92 PRO C C 13 176.735 0.300 . 1 . . . . 92 PRO C . 11117 1 1103 . 1 1 92 92 PRO CA C 13 63.026 0.300 . 1 . . . . 92 PRO CA . 11117 1 1104 . 1 1 92 92 PRO CB C 13 32.319 0.300 . 1 . . . . 92 PRO CB . 11117 1 1105 . 1 1 92 92 PRO CD C 13 50.625 0.300 . 1 . . . . 92 PRO CD . 11117 1 1106 . 1 1 92 92 PRO CG C 13 28.128 0.300 . 1 . . . . 92 PRO CG . 11117 1 1107 . 1 1 93 93 ASP H H 1 8.759 0.030 . 1 . . . . 93 ASP H . 11117 1 1108 . 1 1 93 93 ASP HA H 1 4.347 0.030 . 1 . . . . 93 ASP HA . 11117 1 1109 . 1 1 93 93 ASP HB2 H 1 2.470 0.030 . 2 . . . . 93 ASP HB2 . 11117 1 1110 . 1 1 93 93 ASP HB3 H 1 2.284 0.030 . 2 . . . . 93 ASP HB3 . 11117 1 1111 . 1 1 93 93 ASP C C 13 176.605 0.300 . 1 . . . . 93 ASP C . 11117 1 1112 . 1 1 93 93 ASP CA C 13 55.744 0.300 . 1 . . . . 93 ASP CA . 11117 1 1113 . 1 1 93 93 ASP CB C 13 40.344 0.300 . 1 . . . . 93 ASP CB . 11117 1 1114 . 1 1 93 93 ASP N N 15 124.971 0.300 . 1 . . . . 93 ASP N . 11117 1 1115 . 1 1 94 94 HIS H H 1 8.733 0.030 . 1 . . . . 94 HIS H . 11117 1 1116 . 1 1 94 94 HIS HA H 1 4.544 0.030 . 1 . . . . 94 HIS HA . 11117 1 1117 . 1 1 94 94 HIS HB2 H 1 2.934 0.030 . 2 . . . . 94 HIS HB2 . 11117 1 1118 . 1 1 94 94 HIS HB3 H 1 2.742 0.030 . 2 . . . . 94 HIS HB3 . 11117 1 1119 . 1 1 94 94 HIS HD2 H 1 7.110 0.030 . 1 . . . . 94 HIS HD2 . 11117 1 1120 . 1 1 94 94 HIS HE1 H 1 7.756 0.030 . 1 . . . . 94 HIS HE1 . 11117 1 1121 . 1 1 94 94 HIS C C 13 172.836 0.300 . 1 . . . . 94 HIS C . 11117 1 1122 . 1 1 94 94 HIS CA C 13 55.171 0.300 . 1 . . . . 94 HIS CA . 11117 1 1123 . 1 1 94 94 HIS CB C 13 32.306 0.300 . 1 . . . . 94 HIS CB . 11117 1 1124 . 1 1 94 94 HIS CD2 C 13 128.366 0.300 . 1 . . . . 94 HIS CD2 . 11117 1 1125 . 1 1 94 94 HIS CE1 C 13 139.569 0.300 . 1 . . . . 94 HIS CE1 . 11117 1 1126 . 1 1 94 94 HIS N N 15 122.298 0.300 . 1 . . . . 94 HIS N . 11117 1 1127 . 1 1 95 95 GLU H H 1 8.194 0.030 . 1 . . . . 95 GLU H . 11117 1 1128 . 1 1 95 95 GLU HA H 1 4.946 0.030 . 1 . . . . 95 GLU HA . 11117 1 1129 . 1 1 95 95 GLU HB2 H 1 1.697 0.030 . 1 . . . . 95 GLU HB2 . 11117 1 1130 . 1 1 95 95 GLU HB3 H 1 1.697 0.030 . 1 . . . . 95 GLU HB3 . 11117 1 1131 . 1 1 95 95 GLU HG2 H 1 2.045 0.030 . 2 . . . . 95 GLU HG2 . 11117 1 1132 . 1 1 95 95 GLU HG3 H 1 1.895 0.030 . 2 . . . . 95 GLU HG3 . 11117 1 1133 . 1 1 95 95 GLU C C 13 175.157 0.300 . 1 . . . . 95 GLU C . 11117 1 1134 . 1 1 95 95 GLU CA C 13 55.064 0.300 . 1 . . . . 95 GLU CA . 11117 1 1135 . 1 1 95 95 GLU CB C 13 31.770 0.300 . 1 . . . . 95 GLU CB . 11117 1 1136 . 1 1 95 95 GLU CG C 13 36.685 0.300 . 1 . . . . 95 GLU CG . 11117 1 1137 . 1 1 95 95 GLU N N 15 121.966 0.300 . 1 . . . . 95 GLU N . 11117 1 1138 . 1 1 96 96 PHE H H 1 9.096 0.030 . 1 . . . . 96 PHE H . 11117 1 1139 . 1 1 96 96 PHE HA H 1 5.045 0.030 . 1 . . . . 96 PHE HA . 11117 1 1140 . 1 1 96 96 PHE HB2 H 1 3.122 0.030 . 2 . . . . 96 PHE HB2 . 11117 1 1141 . 1 1 96 96 PHE HB3 H 1 2.599 0.030 . 2 . . . . 96 PHE HB3 . 11117 1 1142 . 1 1 96 96 PHE HD1 H 1 7.215 0.030 . 1 . . . . 96 PHE HD1 . 11117 1 1143 . 1 1 96 96 PHE HD2 H 1 7.215 0.030 . 1 . . . . 96 PHE HD2 . 11117 1 1144 . 1 1 96 96 PHE HE1 H 1 7.115 0.030 . 1 . . . . 96 PHE HE1 . 11117 1 1145 . 1 1 96 96 PHE HE2 H 1 7.115 0.030 . 1 . . . . 96 PHE HE2 . 11117 1 1146 . 1 1 96 96 PHE HZ H 1 6.963 0.030 . 1 . . . . 96 PHE HZ . 11117 1 1147 . 1 1 96 96 PHE C C 13 173.023 0.300 . 1 . . . . 96 PHE C . 11117 1 1148 . 1 1 96 96 PHE CA C 13 56.720 0.300 . 1 . . . . 96 PHE CA . 11117 1 1149 . 1 1 96 96 PHE CB C 13 44.962 0.300 . 1 . . . . 96 PHE CB . 11117 1 1150 . 1 1 96 96 PHE CD1 C 13 132.486 0.300 . 1 . . . . 96 PHE CD1 . 11117 1 1151 . 1 1 96 96 PHE CD2 C 13 132.486 0.300 . 1 . . . . 96 PHE CD2 . 11117 1 1152 . 1 1 96 96 PHE CE1 C 13 131.381 0.300 . 1 . . . . 96 PHE CE1 . 11117 1 1153 . 1 1 96 96 PHE CE2 C 13 131.381 0.300 . 1 . . . . 96 PHE CE2 . 11117 1 1154 . 1 1 96 96 PHE CZ C 13 128.868 0.300 . 1 . . . . 96 PHE CZ . 11117 1 1155 . 1 1 96 96 PHE N N 15 122.537 0.300 . 1 . . . . 96 PHE N . 11117 1 1156 . 1 1 97 97 ARG H H 1 8.605 0.030 . 1 . . . . 97 ARG H . 11117 1 1157 . 1 1 97 97 ARG HA H 1 5.708 0.030 . 1 . . . . 97 ARG HA . 11117 1 1158 . 1 1 97 97 ARG HB2 H 1 1.737 0.030 . 2 . . . . 97 ARG HB2 . 11117 1 1159 . 1 1 97 97 ARG HB3 H 1 1.580 0.030 . 2 . . . . 97 ARG HB3 . 11117 1 1160 . 1 1 97 97 ARG HD2 H 1 3.017 0.030 . 1 . . . . 97 ARG HD2 . 11117 1 1161 . 1 1 97 97 ARG HD3 H 1 3.017 0.030 . 1 . . . . 97 ARG HD3 . 11117 1 1162 . 1 1 97 97 ARG HE H 1 6.849 0.030 . 1 . . . . 97 ARG HE . 11117 1 1163 . 1 1 97 97 ARG HG2 H 1 1.930 0.030 . 2 . . . . 97 ARG HG2 . 11117 1 1164 . 1 1 97 97 ARG HG3 H 1 1.362 0.030 . 2 . . . . 97 ARG HG3 . 11117 1 1165 . 1 1 97 97 ARG C C 13 177.136 0.300 . 1 . . . . 97 ARG C . 11117 1 1166 . 1 1 97 97 ARG CA C 13 53.951 0.300 . 1 . . . . 97 ARG CA . 11117 1 1167 . 1 1 97 97 ARG CB C 13 33.762 0.300 . 1 . . . . 97 ARG CB . 11117 1 1168 . 1 1 97 97 ARG CD C 13 43.950 0.300 . 1 . . . . 97 ARG CD . 11117 1 1169 . 1 1 97 97 ARG CG C 13 27.469 0.300 . 1 . . . . 97 ARG CG . 11117 1 1170 . 1 1 97 97 ARG N N 15 123.913 0.300 . 1 . . . . 97 ARG N . 11117 1 1171 . 1 1 97 97 ARG NE N 15 85.477 0.300 . 1 . . . . 97 ARG NE . 11117 1 1172 . 1 1 98 98 THR H H 1 8.753 0.030 . 1 . . . . 98 THR H . 11117 1 1173 . 1 1 98 98 THR HA H 1 4.226 0.030 . 1 . . . . 98 THR HA . 11117 1 1174 . 1 1 98 98 THR HB H 1 5.042 0.030 . 1 . . . . 98 THR HB . 11117 1 1175 . 1 1 98 98 THR HG21 H 1 1.221 0.030 . 1 . . . . 98 THR HG2 . 11117 1 1176 . 1 1 98 98 THR HG22 H 1 1.221 0.030 . 1 . . . . 98 THR HG2 . 11117 1 1177 . 1 1 98 98 THR HG23 H 1 1.221 0.030 . 1 . . . . 98 THR HG2 . 11117 1 1178 . 1 1 98 98 THR C C 13 175.918 0.300 . 1 . . . . 98 THR C . 11117 1 1179 . 1 1 98 98 THR CA C 13 61.479 0.300 . 1 . . . . 98 THR CA . 11117 1 1180 . 1 1 98 98 THR CB C 13 69.819 0.300 . 1 . . . . 98 THR CB . 11117 1 1181 . 1 1 98 98 THR CG2 C 13 25.358 0.300 . 1 . . . . 98 THR CG2 . 11117 1 1182 . 1 1 98 98 THR N N 15 114.976 0.300 . 1 . . . . 98 THR N . 11117 1 1183 . 1 1 99 99 SER H H 1 7.095 0.030 . 1 . . . . 99 SER H . 11117 1 1184 . 1 1 99 99 SER HA H 1 4.561 0.030 . 1 . . . . 99 SER HA . 11117 1 1185 . 1 1 99 99 SER HB2 H 1 3.994 0.030 . 2 . . . . 99 SER HB2 . 11117 1 1186 . 1 1 99 99 SER HB3 H 1 3.256 0.030 . 2 . . . . 99 SER HB3 . 11117 1 1187 . 1 1 99 99 SER C C 13 171.435 0.300 . 1 . . . . 99 SER C . 11117 1 1188 . 1 1 99 99 SER CA C 13 58.218 0.300 . 1 . . . . 99 SER CA . 11117 1 1189 . 1 1 99 99 SER CB C 13 62.417 0.300 . 1 . . . . 99 SER CB . 11117 1 1190 . 1 1 99 99 SER N N 15 115.537 0.300 . 1 . . . . 99 SER N . 11117 1 1191 . 1 1 100 100 PRO HA H 1 4.653 0.030 . 1 . . . . 100 PRO HA . 11117 1 1192 . 1 1 100 100 PRO HB2 H 1 2.464 0.030 . 2 . . . . 100 PRO HB2 . 11117 1 1193 . 1 1 100 100 PRO HB3 H 1 1.898 0.030 . 2 . . . . 100 PRO HB3 . 11117 1 1194 . 1 1 100 100 PRO HD2 H 1 3.930 0.030 . 2 . . . . 100 PRO HD2 . 11117 1 1195 . 1 1 100 100 PRO HD3 H 1 3.577 0.030 . 2 . . . . 100 PRO HD3 . 11117 1 1196 . 1 1 100 100 PRO HG2 H 1 2.023 0.030 . 2 . . . . 100 PRO HG2 . 11117 1 1197 . 1 1 100 100 PRO CA C 13 62.057 0.300 . 1 . . . . 100 PRO CA . 11117 1 1198 . 1 1 100 100 PRO CB C 13 30.271 0.300 . 1 . . . . 100 PRO CB . 11117 1 1199 . 1 1 100 100 PRO CD C 13 50.368 0.300 . 1 . . . . 100 PRO CD . 11117 1 1200 . 1 1 100 100 PRO CG C 13 27.785 0.300 . 1 . . . . 100 PRO CG . 11117 1 1201 . 1 1 101 101 PRO HA H 1 4.359 0.030 . 1 . . . . 101 PRO HA . 11117 1 1202 . 1 1 101 101 PRO HB2 H 1 2.232 0.030 . 2 . . . . 101 PRO HB2 . 11117 1 1203 . 1 1 101 101 PRO HB3 H 1 2.018 0.030 . 2 . . . . 101 PRO HB3 . 11117 1 1204 . 1 1 101 101 PRO HD2 H 1 3.713 0.030 . 2 . . . . 101 PRO HD2 . 11117 1 1205 . 1 1 101 101 PRO HD3 H 1 3.616 0.030 . 2 . . . . 101 PRO HD3 . 11117 1 1206 . 1 1 101 101 PRO HG2 H 1 2.114 0.030 . 2 . . . . 101 PRO HG2 . 11117 1 1207 . 1 1 101 101 PRO C C 13 176.707 0.300 . 1 . . . . 101 PRO C . 11117 1 1208 . 1 1 101 101 PRO CA C 13 63.302 0.300 . 1 . . . . 101 PRO CA . 11117 1 1209 . 1 1 101 101 PRO CB C 13 31.935 0.300 . 1 . . . . 101 PRO CB . 11117 1 1210 . 1 1 101 101 PRO CD C 13 50.214 0.300 . 1 . . . . 101 PRO CD . 11117 1 1211 . 1 1 101 101 PRO CG C 13 27.469 0.300 . 1 . . . . 101 PRO CG . 11117 1 1212 . 1 1 102 102 SER H H 1 8.270 0.030 . 1 . . . . 102 SER H . 11117 1 1213 . 1 1 102 102 SER HA H 1 4.487 0.030 . 1 . . . . 102 SER HA . 11117 1 1214 . 1 1 102 102 SER HB2 H 1 3.895 0.030 . 2 . . . . 102 SER HB2 . 11117 1 1215 . 1 1 102 102 SER C C 13 174.615 0.300 . 1 . . . . 102 SER C . 11117 1 1216 . 1 1 102 102 SER CA C 13 58.232 0.300 . 1 . . . . 102 SER CA . 11117 1 1217 . 1 1 102 102 SER CB C 13 64.069 0.300 . 1 . . . . 102 SER CB . 11117 1 1218 . 1 1 102 102 SER N N 15 115.216 0.300 . 1 . . . . 102 SER N . 11117 1 1219 . 1 1 103 103 GLY H H 1 8.259 0.030 . 1 . . . . 103 GLY H . 11117 1 1220 . 1 1 103 103 GLY HA2 H 1 4.147 0.030 . 2 . . . . 103 GLY HA2 . 11117 1 1221 . 1 1 103 103 GLY C C 13 171.749 0.300 . 1 . . . . 103 GLY C . 11117 1 1222 . 1 1 103 103 GLY CA C 13 44.689 0.300 . 1 . . . . 103 GLY CA . 11117 1 1223 . 1 1 103 103 GLY N N 15 110.714 0.300 . 1 . . . . 103 GLY N . 11117 1 1224 . 1 1 104 104 PRO HA H 1 4.495 0.030 . 1 . . . . 104 PRO HA . 11117 1 1225 . 1 1 104 104 PRO HB2 H 1 2.295 0.030 . 2 . . . . 104 PRO HB2 . 11117 1 1226 . 1 1 104 104 PRO HD2 H 1 3.650 0.030 . 1 . . . . 104 PRO HD2 . 11117 1 1227 . 1 1 104 104 PRO HD3 H 1 3.650 0.030 . 1 . . . . 104 PRO HD3 . 11117 1 1228 . 1 1 104 104 PRO HG2 H 1 2.022 0.030 . 2 . . . . 104 PRO HG2 . 11117 1 1229 . 1 1 104 104 PRO CA C 13 63.283 0.300 . 1 . . . . 104 PRO CA . 11117 1 1230 . 1 1 104 104 PRO CB C 13 32.297 0.300 . 1 . . . . 104 PRO CB . 11117 1 1231 . 1 1 104 104 PRO CD C 13 49.805 0.300 . 1 . . . . 104 PRO CD . 11117 1 1232 . 1 1 104 104 PRO CG C 13 27.169 0.300 . 1 . . . . 104 PRO CG . 11117 1 stop_ save_