data_11292 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11292 _Entry.Title ; Solution structure of the fibronectin type-III domain of human protein tyrosine phosphatase, receptor type, D isoform 4 variant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _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 M. Yoneyama . . . 11292 2 K. Saito . . . 11292 3 N. Tochio . . . 11292 4 S. Koshiba . . . 11292 5 M. Inoue . . . 11292 6 T. Kigawa . . . 11292 7 S. Yokoyama . . . 11292 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)' . 11292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 443 11292 '15N chemical shifts' 107 11292 '1H chemical shifts' 715 11292 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 . . 2011-08-18 2010-08-09 original author . 11292 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5Z 'BMRB Entry Tracking System' 11292 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11292 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the fibronectin type-III domain of human protein tyrosine phosphatase, receptor type, D isoform 4 variant ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Yoneyama . . . 11292 1 2 K. Saito . . . 11292 1 3 N. Tochio . . . 11292 1 4 S. Koshiba . . . 11292 1 5 M. Inoue . . . 11292 1 6 T. Kigawa . . . 11292 1 7 S. Yokoyama . . . 11292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11292 _Assembly.ID 1 _Assembly.Name 'Receptor-type tyrosine-protein phosphatase delta' _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.3.1.3.48 _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 . . . 11292 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 1x5z . . . . . . 11292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11292 _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 ; GSSGSSGDIQVITQTGVPGQ PLNFKAEPESETSILLSWTP PRSDTIANYELVYKDGEHGE EQRITIEPGTSYRLQGLKPN SLYYFRLAARSPQGLGASTA EISARTMQSSGPSSG ; _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 115 _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 1X5Z . "Solution Structure Of The Fibronectin Type-Iii Domain Of Human Protein Tyrosine Phosphatase, Receptor Type, D Isoform 4 Variant" . . . . . 100.00 115 100.00 100.00 4.33e-75 . . . . 11292 1 2 no DBJ BAD92106 . "protein tyrosine phosphatase, receptor type, D isoform 4 precursor variant [Homo sapiens]" . . . . . 90.43 1478 99.04 99.04 2.56e-60 . . . . 11292 1 3 no GB AAI06714 . "PTPRD protein [Homo sapiens]" . . . . . 90.43 1505 99.04 99.04 2.34e-60 . . . . 11292 1 4 no GB AAI06715 . "PTPRD protein [Homo sapiens]" . . . . . 90.43 1506 99.04 99.04 2.76e-60 . . . . 11292 1 5 no GB AAI06716 . "PTPRD protein [Homo sapiens]" . . . . . 90.43 1505 99.04 99.04 2.98e-60 . . . . 11292 1 6 no GB AAI06717 . "PTPRD protein [Homo sapiens]" . . . . . 91.30 1496 98.10 99.05 1.69e-60 . . . . 11292 1 7 no GB EAW58721 . "protein tyrosine phosphatase, receptor type, D, isoform CRA_d [Homo sapiens]" . . . . . 90.43 1254 99.04 99.04 1.43e-60 . . . . 11292 1 8 no REF NP_001035802 . "receptor-type tyrosine-protein phosphatase delta isoform 5 precursor [Homo sapiens]" . . . . . 90.43 1502 99.04 99.04 2.80e-60 . . . . 11292 1 9 no REF NP_001164496 . "receptor-type tyrosine-protein phosphatase delta isoform 6 precursor [Homo sapiens]" . . . . . 90.43 1505 99.04 99.04 2.34e-60 . . . . 11292 1 10 no REF NP_569075 . "receptor-type tyrosine-protein phosphatase delta isoform 2 precursor [Homo sapiens]" . . . . . 90.43 1505 99.04 99.04 2.98e-60 . . . . 11292 1 11 no REF NP_569076 . "receptor-type tyrosine-protein phosphatase delta isoform 3 precursor [Homo sapiens]" . . . . . 90.43 1506 99.04 99.04 2.76e-60 . . . . 11292 1 12 no REF NP_569077 . "receptor-type tyrosine-protein phosphatase delta isoform 4 precursor [Homo sapiens]" . . . . . 91.30 1496 98.10 99.05 1.69e-60 . . . . 11292 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' . 11292 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 . 11292 1 2 . SER . 11292 1 3 . SER . 11292 1 4 . GLY . 11292 1 5 . SER . 11292 1 6 . SER . 11292 1 7 . GLY . 11292 1 8 . ASP . 11292 1 9 . ILE . 11292 1 10 . GLN . 11292 1 11 . VAL . 11292 1 12 . ILE . 11292 1 13 . THR . 11292 1 14 . GLN . 11292 1 15 . THR . 11292 1 16 . GLY . 11292 1 17 . VAL . 11292 1 18 . PRO . 11292 1 19 . GLY . 11292 1 20 . GLN . 11292 1 21 . PRO . 11292 1 22 . LEU . 11292 1 23 . ASN . 11292 1 24 . PHE . 11292 1 25 . LYS . 11292 1 26 . ALA . 11292 1 27 . GLU . 11292 1 28 . PRO . 11292 1 29 . GLU . 11292 1 30 . SER . 11292 1 31 . GLU . 11292 1 32 . THR . 11292 1 33 . SER . 11292 1 34 . ILE . 11292 1 35 . LEU . 11292 1 36 . LEU . 11292 1 37 . SER . 11292 1 38 . TRP . 11292 1 39 . THR . 11292 1 40 . PRO . 11292 1 41 . PRO . 11292 1 42 . ARG . 11292 1 43 . SER . 11292 1 44 . ASP . 11292 1 45 . THR . 11292 1 46 . ILE . 11292 1 47 . ALA . 11292 1 48 . ASN . 11292 1 49 . TYR . 11292 1 50 . GLU . 11292 1 51 . LEU . 11292 1 52 . VAL . 11292 1 53 . TYR . 11292 1 54 . LYS . 11292 1 55 . ASP . 11292 1 56 . GLY . 11292 1 57 . GLU . 11292 1 58 . HIS . 11292 1 59 . GLY . 11292 1 60 . GLU . 11292 1 61 . GLU . 11292 1 62 . GLN . 11292 1 63 . ARG . 11292 1 64 . ILE . 11292 1 65 . THR . 11292 1 66 . ILE . 11292 1 67 . GLU . 11292 1 68 . PRO . 11292 1 69 . GLY . 11292 1 70 . THR . 11292 1 71 . SER . 11292 1 72 . TYR . 11292 1 73 . ARG . 11292 1 74 . LEU . 11292 1 75 . GLN . 11292 1 76 . GLY . 11292 1 77 . LEU . 11292 1 78 . LYS . 11292 1 79 . PRO . 11292 1 80 . ASN . 11292 1 81 . SER . 11292 1 82 . LEU . 11292 1 83 . TYR . 11292 1 84 . TYR . 11292 1 85 . PHE . 11292 1 86 . ARG . 11292 1 87 . LEU . 11292 1 88 . ALA . 11292 1 89 . ALA . 11292 1 90 . ARG . 11292 1 91 . SER . 11292 1 92 . PRO . 11292 1 93 . GLN . 11292 1 94 . GLY . 11292 1 95 . LEU . 11292 1 96 . GLY . 11292 1 97 . ALA . 11292 1 98 . SER . 11292 1 99 . THR . 11292 1 100 . ALA . 11292 1 101 . GLU . 11292 1 102 . ILE . 11292 1 103 . SER . 11292 1 104 . ALA . 11292 1 105 . ARG . 11292 1 106 . THR . 11292 1 107 . MET . 11292 1 108 . GLN . 11292 1 109 . SER . 11292 1 110 . SER . 11292 1 111 . GLY . 11292 1 112 . PRO . 11292 1 113 . SER . 11292 1 114 . SER . 11292 1 115 . GLY . 11292 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 11292 1 . SER 2 2 11292 1 . SER 3 3 11292 1 . GLY 4 4 11292 1 . SER 5 5 11292 1 . SER 6 6 11292 1 . GLY 7 7 11292 1 . ASP 8 8 11292 1 . ILE 9 9 11292 1 . GLN 10 10 11292 1 . VAL 11 11 11292 1 . ILE 12 12 11292 1 . THR 13 13 11292 1 . GLN 14 14 11292 1 . THR 15 15 11292 1 . GLY 16 16 11292 1 . VAL 17 17 11292 1 . PRO 18 18 11292 1 . GLY 19 19 11292 1 . GLN 20 20 11292 1 . PRO 21 21 11292 1 . LEU 22 22 11292 1 . ASN 23 23 11292 1 . PHE 24 24 11292 1 . LYS 25 25 11292 1 . ALA 26 26 11292 1 . GLU 27 27 11292 1 . PRO 28 28 11292 1 . GLU 29 29 11292 1 . SER 30 30 11292 1 . GLU 31 31 11292 1 . THR 32 32 11292 1 . SER 33 33 11292 1 . ILE 34 34 11292 1 . LEU 35 35 11292 1 . LEU 36 36 11292 1 . SER 37 37 11292 1 . TRP 38 38 11292 1 . THR 39 39 11292 1 . PRO 40 40 11292 1 . PRO 41 41 11292 1 . ARG 42 42 11292 1 . SER 43 43 11292 1 . ASP 44 44 11292 1 . THR 45 45 11292 1 . ILE 46 46 11292 1 . ALA 47 47 11292 1 . ASN 48 48 11292 1 . TYR 49 49 11292 1 . GLU 50 50 11292 1 . LEU 51 51 11292 1 . VAL 52 52 11292 1 . TYR 53 53 11292 1 . LYS 54 54 11292 1 . ASP 55 55 11292 1 . GLY 56 56 11292 1 . GLU 57 57 11292 1 . HIS 58 58 11292 1 . GLY 59 59 11292 1 . GLU 60 60 11292 1 . GLU 61 61 11292 1 . GLN 62 62 11292 1 . ARG 63 63 11292 1 . ILE 64 64 11292 1 . THR 65 65 11292 1 . ILE 66 66 11292 1 . GLU 67 67 11292 1 . PRO 68 68 11292 1 . GLY 69 69 11292 1 . THR 70 70 11292 1 . SER 71 71 11292 1 . TYR 72 72 11292 1 . ARG 73 73 11292 1 . LEU 74 74 11292 1 . GLN 75 75 11292 1 . GLY 76 76 11292 1 . LEU 77 77 11292 1 . LYS 78 78 11292 1 . PRO 79 79 11292 1 . ASN 80 80 11292 1 . SER 81 81 11292 1 . LEU 82 82 11292 1 . TYR 83 83 11292 1 . TYR 84 84 11292 1 . PHE 85 85 11292 1 . ARG 86 86 11292 1 . LEU 87 87 11292 1 . ALA 88 88 11292 1 . ALA 89 89 11292 1 . ARG 90 90 11292 1 . SER 91 91 11292 1 . PRO 92 92 11292 1 . GLN 93 93 11292 1 . GLY 94 94 11292 1 . LEU 95 95 11292 1 . GLY 96 96 11292 1 . ALA 97 97 11292 1 . SER 98 98 11292 1 . THR 99 99 11292 1 . ALA 100 100 11292 1 . GLU 101 101 11292 1 . ILE 102 102 11292 1 . SER 103 103 11292 1 . ALA 104 104 11292 1 . ARG 105 105 11292 1 . THR 106 106 11292 1 . MET 107 107 11292 1 . GLN 108 108 11292 1 . SER 109 109 11292 1 . SER 110 110 11292 1 . GLY 111 111 11292 1 . PRO 112 112 11292 1 . SER 113 113 11292 1 . SER 114 114 11292 1 . GLY 115 115 11292 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 11292 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11292 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 11292 _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 . . . . . . . . . . . . . . . . P050131-05 . . . . . . 11292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11292 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.37mM fn3 domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 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 1.37 . . mM . . . . 11292 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11292 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11292 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11292 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11292 1 6 H2O . . . . . . solvent 90 . . % . . . . 11292 1 7 D2O . . . . . . solvent 10 . . % . . . . 11292 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 11292 _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 11292 1 pH 7.0 0.05 pH 11292 1 pressure 1 0.001 atm 11292 1 temperature 298 0.1 K 11292 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11292 _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 . . 11292 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11292 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11292 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11292 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11292 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11292 _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.' . . 11292 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11292 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11292 _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.' . . 11292 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11292 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11292 _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.' . . 11292 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11292 5 'structure solution' 11292 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 11292 _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 11292 _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 . . . 11292 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 11292 _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 . . . . . . . . . . . . . . . . 11292 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11292 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 11292 _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 . . . . . . . . . 11292 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11292 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11292 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 11292 _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 11292 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11292 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 . . 11292 1 2 $NMRPipe . . 11292 1 3 $NMRview . . 11292 1 4 $Kujira . . 11292 1 5 $CYANA . . 11292 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 8 8 ASP HA H 1 4.622 0.030 . 1 . . . . 8 ASP HA . 11292 1 2 . 1 1 8 8 ASP HB2 H 1 2.693 0.030 . 2 . . . . 8 ASP HB2 . 11292 1 3 . 1 1 8 8 ASP HB3 H 1 2.569 0.030 . 2 . . . . 8 ASP HB3 . 11292 1 4 . 1 1 8 8 ASP C C 13 176.292 0.300 . 1 . . . . 8 ASP C . 11292 1 5 . 1 1 8 8 ASP CA C 13 54.480 0.300 . 1 . . . . 8 ASP CA . 11292 1 6 . 1 1 8 8 ASP CB C 13 41.192 0.300 . 1 . . . . 8 ASP CB . 11292 1 7 . 1 1 9 9 ILE H H 1 8.072 0.030 . 1 . . . . 9 ILE H . 11292 1 8 . 1 1 9 9 ILE HA H 1 4.145 0.030 . 1 . . . . 9 ILE HA . 11292 1 9 . 1 1 9 9 ILE HB H 1 1.867 0.030 . 1 . . . . 9 ILE HB . 11292 1 10 . 1 1 9 9 ILE HD11 H 1 0.887 0.030 . 1 . . . . 9 ILE HD1 . 11292 1 11 . 1 1 9 9 ILE HD12 H 1 0.887 0.030 . 1 . . . . 9 ILE HD1 . 11292 1 12 . 1 1 9 9 ILE HD13 H 1 0.887 0.030 . 1 . . . . 9 ILE HD1 . 11292 1 13 . 1 1 9 9 ILE HG12 H 1 1.469 0.030 . 2 . . . . 9 ILE HG12 . 11292 1 14 . 1 1 9 9 ILE HG13 H 1 1.197 0.030 . 2 . . . . 9 ILE HG13 . 11292 1 15 . 1 1 9 9 ILE HG21 H 1 0.887 0.030 . 1 . . . . 9 ILE HG2 . 11292 1 16 . 1 1 9 9 ILE HG22 H 1 0.887 0.030 . 1 . . . . 9 ILE HG2 . 11292 1 17 . 1 1 9 9 ILE HG23 H 1 0.887 0.030 . 1 . . . . 9 ILE HG2 . 11292 1 18 . 1 1 9 9 ILE C C 13 176.264 0.300 . 1 . . . . 9 ILE C . 11292 1 19 . 1 1 9 9 ILE CA C 13 61.208 0.300 . 1 . . . . 9 ILE CA . 11292 1 20 . 1 1 9 9 ILE CB C 13 38.720 0.300 . 1 . . . . 9 ILE CB . 11292 1 21 . 1 1 9 9 ILE CD1 C 13 12.942 0.300 . 1 . . . . 9 ILE CD1 . 11292 1 22 . 1 1 9 9 ILE CG1 C 13 27.202 0.300 . 1 . . . . 9 ILE CG1 . 11292 1 23 . 1 1 9 9 ILE CG2 C 13 17.558 0.300 . 1 . . . . 9 ILE CG2 . 11292 1 24 . 1 1 9 9 ILE N N 15 120.928 0.300 . 1 . . . . 9 ILE N . 11292 1 25 . 1 1 10 10 GLN H H 1 8.457 0.030 . 1 . . . . 10 GLN H . 11292 1 26 . 1 1 10 10 GLN HA H 1 4.356 0.030 . 1 . . . . 10 GLN HA . 11292 1 27 . 1 1 10 10 GLN HB2 H 1 2.070 0.030 . 2 . . . . 10 GLN HB2 . 11292 1 28 . 1 1 10 10 GLN HB3 H 1 1.990 0.030 . 2 . . . . 10 GLN HB3 . 11292 1 29 . 1 1 10 10 GLN HG2 H 1 2.361 0.030 . 1 . . . . 10 GLN HG2 . 11292 1 30 . 1 1 10 10 GLN HG3 H 1 2.361 0.030 . 1 . . . . 10 GLN HG3 . 11292 1 31 . 1 1 10 10 GLN C C 13 175.805 0.300 . 1 . . . . 10 GLN C . 11292 1 32 . 1 1 10 10 GLN CA C 13 55.705 0.300 . 1 . . . . 10 GLN CA . 11292 1 33 . 1 1 10 10 GLN CB C 13 29.446 0.300 . 1 . . . . 10 GLN CB . 11292 1 34 . 1 1 10 10 GLN CG C 13 33.797 0.300 . 1 . . . . 10 GLN CG . 11292 1 35 . 1 1 10 10 GLN N N 15 124.703 0.300 . 1 . . . . 10 GLN N . 11292 1 36 . 1 1 11 11 VAL H H 1 8.235 0.030 . 1 . . . . 11 VAL H . 11292 1 37 . 1 1 11 11 VAL HA H 1 4.086 0.030 . 1 . . . . 11 VAL HA . 11292 1 38 . 1 1 11 11 VAL HB H 1 2.036 0.030 . 1 . . . . 11 VAL HB . 11292 1 39 . 1 1 11 11 VAL HG11 H 1 0.930 0.030 . 1 . . . . 11 VAL HG1 . 11292 1 40 . 1 1 11 11 VAL HG12 H 1 0.930 0.030 . 1 . . . . 11 VAL HG1 . 11292 1 41 . 1 1 11 11 VAL HG13 H 1 0.930 0.030 . 1 . . . . 11 VAL HG1 . 11292 1 42 . 1 1 11 11 VAL HG21 H 1 0.897 0.030 . 1 . . . . 11 VAL HG2 . 11292 1 43 . 1 1 11 11 VAL HG22 H 1 0.897 0.030 . 1 . . . . 11 VAL HG2 . 11292 1 44 . 1 1 11 11 VAL HG23 H 1 0.897 0.030 . 1 . . . . 11 VAL HG2 . 11292 1 45 . 1 1 11 11 VAL C C 13 176.172 0.300 . 1 . . . . 11 VAL C . 11292 1 46 . 1 1 11 11 VAL CA C 13 62.441 0.300 . 1 . . . . 11 VAL CA . 11292 1 47 . 1 1 11 11 VAL CB C 13 32.746 0.300 . 1 . . . . 11 VAL CB . 11292 1 48 . 1 1 11 11 VAL CG1 C 13 20.680 0.300 . 2 . . . . 11 VAL CG1 . 11292 1 49 . 1 1 11 11 VAL CG2 C 13 21.140 0.300 . 2 . . . . 11 VAL CG2 . 11292 1 50 . 1 1 11 11 VAL N N 15 122.627 0.300 . 1 . . . . 11 VAL N . 11292 1 51 . 1 1 12 12 ILE H H 1 8.323 0.030 . 1 . . . . 12 ILE H . 11292 1 52 . 1 1 12 12 ILE HA H 1 4.245 0.030 . 1 . . . . 12 ILE HA . 11292 1 53 . 1 1 12 12 ILE HB H 1 1.862 0.030 . 1 . . . . 12 ILE HB . 11292 1 54 . 1 1 12 12 ILE HD11 H 1 0.887 0.030 . 1 . . . . 12 ILE HD1 . 11292 1 55 . 1 1 12 12 ILE HD12 H 1 0.887 0.030 . 1 . . . . 12 ILE HD1 . 11292 1 56 . 1 1 12 12 ILE HD13 H 1 0.887 0.030 . 1 . . . . 12 ILE HD1 . 11292 1 57 . 1 1 12 12 ILE HG12 H 1 1.451 0.030 . 2 . . . . 12 ILE HG12 . 11292 1 58 . 1 1 12 12 ILE HG13 H 1 1.211 0.030 . 2 . . . . 12 ILE HG13 . 11292 1 59 . 1 1 12 12 ILE HG21 H 1 0.893 0.030 . 1 . . . . 12 ILE HG2 . 11292 1 60 . 1 1 12 12 ILE HG22 H 1 0.893 0.030 . 1 . . . . 12 ILE HG2 . 11292 1 61 . 1 1 12 12 ILE HG23 H 1 0.893 0.030 . 1 . . . . 12 ILE HG2 . 11292 1 62 . 1 1 12 12 ILE C C 13 176.480 0.300 . 1 . . . . 12 ILE C . 11292 1 63 . 1 1 12 12 ILE CA C 13 60.984 0.300 . 1 . . . . 12 ILE CA . 11292 1 64 . 1 1 12 12 ILE CB C 13 38.617 0.300 . 1 . . . . 12 ILE CB . 11292 1 65 . 1 1 12 12 ILE CD1 C 13 12.694 0.300 . 1 . . . . 12 ILE CD1 . 11292 1 66 . 1 1 12 12 ILE CG1 C 13 27.202 0.300 . 1 . . . . 12 ILE CG1 . 11292 1 67 . 1 1 12 12 ILE CG2 C 13 17.442 0.300 . 1 . . . . 12 ILE CG2 . 11292 1 68 . 1 1 12 12 ILE N N 15 125.380 0.300 . 1 . . . . 12 ILE N . 11292 1 69 . 1 1 13 13 THR H H 1 8.264 0.030 . 1 . . . . 13 THR H . 11292 1 70 . 1 1 13 13 THR HA H 1 4.316 0.030 . 1 . . . . 13 THR HA . 11292 1 71 . 1 1 13 13 THR HB H 1 4.209 0.030 . 1 . . . . 13 THR HB . 11292 1 72 . 1 1 13 13 THR HG21 H 1 1.193 0.030 . 1 . . . . 13 THR HG2 . 11292 1 73 . 1 1 13 13 THR HG22 H 1 1.193 0.030 . 1 . . . . 13 THR HG2 . 11292 1 74 . 1 1 13 13 THR HG23 H 1 1.193 0.030 . 1 . . . . 13 THR HG2 . 11292 1 75 . 1 1 13 13 THR C C 13 174.434 0.300 . 1 . . . . 13 THR C . 11292 1 76 . 1 1 13 13 THR CA C 13 62.038 0.300 . 1 . . . . 13 THR CA . 11292 1 77 . 1 1 13 13 THR CB C 13 69.838 0.300 . 1 . . . . 13 THR CB . 11292 1 78 . 1 1 13 13 THR CG2 C 13 21.625 0.300 . 1 . . . . 13 THR CG2 . 11292 1 79 . 1 1 13 13 THR N N 15 119.075 0.300 . 1 . . . . 13 THR N . 11292 1 80 . 1 1 14 14 GLN H H 1 8.469 0.030 . 1 . . . . 14 GLN H . 11292 1 81 . 1 1 14 14 GLN HA H 1 4.444 0.030 . 1 . . . . 14 GLN HA . 11292 1 82 . 1 1 14 14 GLN HB2 H 1 2.120 0.030 . 2 . . . . 14 GLN HB2 . 11292 1 83 . 1 1 14 14 GLN HB3 H 1 1.980 0.030 . 2 . . . . 14 GLN HB3 . 11292 1 84 . 1 1 14 14 GLN HG2 H 1 2.395 0.030 . 1 . . . . 14 GLN HG2 . 11292 1 85 . 1 1 14 14 GLN HG3 H 1 2.395 0.030 . 1 . . . . 14 GLN HG3 . 11292 1 86 . 1 1 14 14 GLN C C 13 176.055 0.300 . 1 . . . . 14 GLN C . 11292 1 87 . 1 1 14 14 GLN CA C 13 55.725 0.300 . 1 . . . . 14 GLN CA . 11292 1 88 . 1 1 14 14 GLN CB C 13 29.490 0.300 . 1 . . . . 14 GLN CB . 11292 1 89 . 1 1 14 14 GLN CG C 13 33.797 0.300 . 1 . . . . 14 GLN CG . 11292 1 90 . 1 1 14 14 GLN N N 15 123.296 0.300 . 1 . . . . 14 GLN N . 11292 1 91 . 1 1 15 15 THR H H 1 8.239 0.030 . 1 . . . . 15 THR H . 11292 1 92 . 1 1 15 15 THR HA H 1 4.340 0.030 . 1 . . . . 15 THR HA . 11292 1 93 . 1 1 15 15 THR HB H 1 4.163 0.030 . 1 . . . . 15 THR HB . 11292 1 94 . 1 1 15 15 THR HG21 H 1 1.187 0.030 . 1 . . . . 15 THR HG2 . 11292 1 95 . 1 1 15 15 THR HG22 H 1 1.187 0.030 . 1 . . . . 15 THR HG2 . 11292 1 96 . 1 1 15 15 THR HG23 H 1 1.187 0.030 . 1 . . . . 15 THR HG2 . 11292 1 97 . 1 1 15 15 THR CA C 13 61.826 0.300 . 1 . . . . 15 THR CA . 11292 1 98 . 1 1 15 15 THR CB C 13 69.811 0.300 . 1 . . . . 15 THR CB . 11292 1 99 . 1 1 15 15 THR CG2 C 13 21.597 0.300 . 1 . . . . 15 THR CG2 . 11292 1 100 . 1 1 15 15 THR N N 15 115.162 0.300 . 1 . . . . 15 THR N . 11292 1 101 . 1 1 16 16 GLY H H 1 8.394 0.030 . 1 . . . . 16 GLY H . 11292 1 102 . 1 1 16 16 GLY HA2 H 1 4.002 0.030 . 2 . . . . 16 GLY HA2 . 11292 1 103 . 1 1 16 16 GLY HA3 H 1 3.917 0.030 . 2 . . . . 16 GLY HA3 . 11292 1 104 . 1 1 16 16 GLY CA C 13 45.106 0.300 . 1 . . . . 16 GLY CA . 11292 1 105 . 1 1 16 16 GLY N N 15 110.757 0.300 . 1 . . . . 16 GLY N . 11292 1 106 . 1 1 17 17 VAL H H 1 7.762 0.030 . 1 . . . . 17 VAL H . 11292 1 107 . 1 1 17 17 VAL HA H 1 4.252 0.030 . 1 . . . . 17 VAL HA . 11292 1 108 . 1 1 17 17 VAL HB H 1 1.866 0.030 . 1 . . . . 17 VAL HB . 11292 1 109 . 1 1 17 17 VAL HG11 H 1 0.706 0.030 . 1 . . . . 17 VAL HG1 . 11292 1 110 . 1 1 17 17 VAL HG12 H 1 0.706 0.030 . 1 . . . . 17 VAL HG1 . 11292 1 111 . 1 1 17 17 VAL HG13 H 1 0.706 0.030 . 1 . . . . 17 VAL HG1 . 11292 1 112 . 1 1 17 17 VAL HG21 H 1 0.802 0.030 . 1 . . . . 17 VAL HG2 . 11292 1 113 . 1 1 17 17 VAL HG22 H 1 0.802 0.030 . 1 . . . . 17 VAL HG2 . 11292 1 114 . 1 1 17 17 VAL HG23 H 1 0.802 0.030 . 1 . . . . 17 VAL HG2 . 11292 1 115 . 1 1 17 17 VAL CA C 13 59.853 0.300 . 1 . . . . 17 VAL CA . 11292 1 116 . 1 1 17 17 VAL CB C 13 31.250 0.300 . 1 . . . . 17 VAL CB . 11292 1 117 . 1 1 17 17 VAL CG1 C 13 21.229 0.300 . 2 . . . . 17 VAL CG1 . 11292 1 118 . 1 1 17 17 VAL CG2 C 13 19.172 0.300 . 2 . . . . 17 VAL CG2 . 11292 1 119 . 1 1 17 17 VAL N N 15 117.664 0.300 . 1 . . . . 17 VAL N . 11292 1 120 . 1 1 18 18 PRO HA H 1 4.386 0.030 . 1 . . . . 18 PRO HA . 11292 1 121 . 1 1 18 18 PRO HB2 H 1 2.035 0.030 . 2 . . . . 18 PRO HB2 . 11292 1 122 . 1 1 18 18 PRO HB3 H 1 1.975 0.030 . 2 . . . . 18 PRO HB3 . 11292 1 123 . 1 1 18 18 PRO HD2 H 1 3.392 0.030 . 2 . . . . 18 PRO HD2 . 11292 1 124 . 1 1 18 18 PRO HD3 H 1 3.907 0.030 . 2 . . . . 18 PRO HD3 . 11292 1 125 . 1 1 18 18 PRO HG2 H 1 1.682 0.030 . 2 . . . . 18 PRO HG2 . 11292 1 126 . 1 1 18 18 PRO HG3 H 1 1.736 0.030 . 2 . . . . 18 PRO HG3 . 11292 1 127 . 1 1 18 18 PRO CA C 13 63.116 0.300 . 1 . . . . 18 PRO CA . 11292 1 128 . 1 1 18 18 PRO CB C 13 33.265 0.300 . 1 . . . . 18 PRO CB . 11292 1 129 . 1 1 18 18 PRO CD C 13 50.694 0.300 . 1 . . . . 18 PRO CD . 11292 1 130 . 1 1 18 18 PRO CG C 13 28.048 0.300 . 1 . . . . 18 PRO CG . 11292 1 131 . 1 1 19 19 GLY H H 1 8.271 0.030 . 1 . . . . 19 GLY H . 11292 1 132 . 1 1 19 19 GLY HA2 H 1 4.203 0.030 . 2 . . . . 19 GLY HA2 . 11292 1 133 . 1 1 19 19 GLY HA3 H 1 3.829 0.030 . 2 . . . . 19 GLY HA3 . 11292 1 134 . 1 1 19 19 GLY CA C 13 43.788 0.300 . 1 . . . . 19 GLY CA . 11292 1 135 . 1 1 19 19 GLY N N 15 105.768 0.300 . 1 . . . . 19 GLY N . 11292 1 136 . 1 1 20 20 GLN H H 1 8.356 0.030 . 1 . . . . 20 GLN H . 11292 1 137 . 1 1 20 20 GLN HA H 1 4.588 0.030 . 1 . . . . 20 GLN HA . 11292 1 138 . 1 1 20 20 GLN HB2 H 1 1.888 0.030 . 2 . . . . 20 GLN HB2 . 11292 1 139 . 1 1 20 20 GLN HB3 H 1 1.802 0.030 . 2 . . . . 20 GLN HB3 . 11292 1 140 . 1 1 20 20 GLN HE21 H 1 7.643 0.030 . 2 . . . . 20 GLN HE21 . 11292 1 141 . 1 1 20 20 GLN HE22 H 1 7.059 0.030 . 2 . . . . 20 GLN HE22 . 11292 1 142 . 1 1 20 20 GLN HG2 H 1 2.335 0.030 . 2 . . . . 20 GLN HG2 . 11292 1 143 . 1 1 20 20 GLN HG3 H 1 2.213 0.030 . 2 . . . . 20 GLN HG3 . 11292 1 144 . 1 1 20 20 GLN CA C 13 54.189 0.300 . 1 . . . . 20 GLN CA . 11292 1 145 . 1 1 20 20 GLN CB C 13 29.513 0.300 . 1 . . . . 20 GLN CB . 11292 1 146 . 1 1 20 20 GLN CG C 13 33.234 0.300 . 1 . . . . 20 GLN CG . 11292 1 147 . 1 1 20 20 GLN N N 15 117.961 0.300 . 1 . . . . 20 GLN N . 11292 1 148 . 1 1 20 20 GLN NE2 N 15 112.004 0.300 . 1 . . . . 20 GLN NE2 . 11292 1 149 . 1 1 21 21 PRO HA H 1 4.339 0.030 . 1 . . . . 21 PRO HA . 11292 1 150 . 1 1 21 21 PRO HB2 H 1 2.057 0.030 . 2 . . . . 21 PRO HB2 . 11292 1 151 . 1 1 21 21 PRO HB3 H 1 1.315 0.030 . 2 . . . . 21 PRO HB3 . 11292 1 152 . 1 1 21 21 PRO HD2 H 1 4.508 0.030 . 2 . . . . 21 PRO HD2 . 11292 1 153 . 1 1 21 21 PRO HD3 H 1 3.435 0.030 . 2 . . . . 21 PRO HD3 . 11292 1 154 . 1 1 21 21 PRO HG2 H 1 1.544 0.030 . 2 . . . . 21 PRO HG2 . 11292 1 155 . 1 1 21 21 PRO HG3 H 1 1.412 0.030 . 2 . . . . 21 PRO HG3 . 11292 1 156 . 1 1 21 21 PRO C C 13 174.605 0.300 . 1 . . . . 21 PRO C . 11292 1 157 . 1 1 21 21 PRO CA C 13 63.067 0.300 . 1 . . . . 21 PRO CA . 11292 1 158 . 1 1 21 21 PRO CB C 13 31.693 0.300 . 1 . . . . 21 PRO CB . 11292 1 159 . 1 1 21 21 PRO CD C 13 49.847 0.300 . 1 . . . . 21 PRO CD . 11292 1 160 . 1 1 21 21 PRO CG C 13 28.259 0.300 . 1 . . . . 21 PRO CG . 11292 1 161 . 1 1 22 22 LEU H H 1 8.360 0.030 . 1 . . . . 22 LEU H . 11292 1 162 . 1 1 22 22 LEU HA H 1 4.733 0.030 . 1 . . . . 22 LEU HA . 11292 1 163 . 1 1 22 22 LEU HB2 H 1 1.626 0.030 . 2 . . . . 22 LEU HB2 . 11292 1 164 . 1 1 22 22 LEU HB3 H 1 1.530 0.030 . 2 . . . . 22 LEU HB3 . 11292 1 165 . 1 1 22 22 LEU HD11 H 1 0.959 0.030 . 1 . . . . 22 LEU HD1 . 11292 1 166 . 1 1 22 22 LEU HD12 H 1 0.959 0.030 . 1 . . . . 22 LEU HD1 . 11292 1 167 . 1 1 22 22 LEU HD13 H 1 0.959 0.030 . 1 . . . . 22 LEU HD1 . 11292 1 168 . 1 1 22 22 LEU HD21 H 1 0.929 0.030 . 1 . . . . 22 LEU HD2 . 11292 1 169 . 1 1 22 22 LEU HD22 H 1 0.929 0.030 . 1 . . . . 22 LEU HD2 . 11292 1 170 . 1 1 22 22 LEU HD23 H 1 0.929 0.030 . 1 . . . . 22 LEU HD2 . 11292 1 171 . 1 1 22 22 LEU HG H 1 1.773 0.030 . 1 . . . . 22 LEU HG . 11292 1 172 . 1 1 22 22 LEU C C 13 176.452 0.300 . 1 . . . . 22 LEU C . 11292 1 173 . 1 1 22 22 LEU CA C 13 53.915 0.300 . 1 . . . . 22 LEU CA . 11292 1 174 . 1 1 22 22 LEU CB C 13 44.956 0.300 . 1 . . . . 22 LEU CB . 11292 1 175 . 1 1 22 22 LEU CD1 C 13 25.340 0.300 . 2 . . . . 22 LEU CD1 . 11292 1 176 . 1 1 22 22 LEU CD2 C 13 23.581 0.300 . 2 . . . . 22 LEU CD2 . 11292 1 177 . 1 1 22 22 LEU CG C 13 27.305 0.300 . 1 . . . . 22 LEU CG . 11292 1 178 . 1 1 22 22 LEU N N 15 121.826 0.300 . 1 . . . . 22 LEU N . 11292 1 179 . 1 1 23 23 ASN H H 1 9.010 0.030 . 1 . . . . 23 ASN H . 11292 1 180 . 1 1 23 23 ASN HA H 1 4.346 0.030 . 1 . . . . 23 ASN HA . 11292 1 181 . 1 1 23 23 ASN HB2 H 1 2.927 0.030 . 2 . . . . 23 ASN HB2 . 11292 1 182 . 1 1 23 23 ASN HB3 H 1 2.808 0.030 . 2 . . . . 23 ASN HB3 . 11292 1 183 . 1 1 23 23 ASN HD21 H 1 7.666 0.030 . 2 . . . . 23 ASN HD21 . 11292 1 184 . 1 1 23 23 ASN HD22 H 1 6.952 0.030 . 2 . . . . 23 ASN HD22 . 11292 1 185 . 1 1 23 23 ASN C C 13 174.030 0.300 . 1 . . . . 23 ASN C . 11292 1 186 . 1 1 23 23 ASN CA C 13 53.949 0.300 . 1 . . . . 23 ASN CA . 11292 1 187 . 1 1 23 23 ASN CB C 13 37.647 0.300 . 1 . . . . 23 ASN CB . 11292 1 188 . 1 1 23 23 ASN N N 15 115.818 0.300 . 1 . . . . 23 ASN N . 11292 1 189 . 1 1 23 23 ASN ND2 N 15 113.675 0.300 . 1 . . . . 23 ASN ND2 . 11292 1 190 . 1 1 24 24 PHE H H 1 8.346 0.030 . 1 . . . . 24 PHE H . 11292 1 191 . 1 1 24 24 PHE HA H 1 5.598 0.030 . 1 . . . . 24 PHE HA . 11292 1 192 . 1 1 24 24 PHE HB2 H 1 3.188 0.030 . 2 . . . . 24 PHE HB2 . 11292 1 193 . 1 1 24 24 PHE HB3 H 1 2.957 0.030 . 2 . . . . 24 PHE HB3 . 11292 1 194 . 1 1 24 24 PHE HD1 H 1 7.553 0.030 . 1 . . . . 24 PHE HD1 . 11292 1 195 . 1 1 24 24 PHE HD2 H 1 7.553 0.030 . 1 . . . . 24 PHE HD2 . 11292 1 196 . 1 1 24 24 PHE HE1 H 1 7.065 0.030 . 1 . . . . 24 PHE HE1 . 11292 1 197 . 1 1 24 24 PHE HE2 H 1 7.065 0.030 . 1 . . . . 24 PHE HE2 . 11292 1 198 . 1 1 24 24 PHE HZ H 1 6.688 0.030 . 1 . . . . 24 PHE HZ . 11292 1 199 . 1 1 24 24 PHE C C 13 175.363 0.300 . 1 . . . . 24 PHE C . 11292 1 200 . 1 1 24 24 PHE CA C 13 55.991 0.300 . 1 . . . . 24 PHE CA . 11292 1 201 . 1 1 24 24 PHE CB C 13 39.838 0.300 . 1 . . . . 24 PHE CB . 11292 1 202 . 1 1 24 24 PHE CD1 C 13 132.231 0.300 . 1 . . . . 24 PHE CD1 . 11292 1 203 . 1 1 24 24 PHE CD2 C 13 132.231 0.300 . 1 . . . . 24 PHE CD2 . 11292 1 204 . 1 1 24 24 PHE CE1 C 13 130.892 0.300 . 1 . . . . 24 PHE CE1 . 11292 1 205 . 1 1 24 24 PHE CE2 C 13 130.892 0.300 . 1 . . . . 24 PHE CE2 . 11292 1 206 . 1 1 24 24 PHE CZ C 13 128.342 0.300 . 1 . . . . 24 PHE CZ . 11292 1 207 . 1 1 24 24 PHE N N 15 118.754 0.300 . 1 . . . . 24 PHE N . 11292 1 208 . 1 1 25 25 LYS H H 1 9.213 0.030 . 1 . . . . 25 LYS H . 11292 1 209 . 1 1 25 25 LYS HA H 1 4.309 0.030 . 1 . . . . 25 LYS HA . 11292 1 210 . 1 1 25 25 LYS HB2 H 1 1.632 0.030 . 2 . . . . 25 LYS HB2 . 11292 1 211 . 1 1 25 25 LYS HB3 H 1 1.547 0.030 . 2 . . . . 25 LYS HB3 . 11292 1 212 . 1 1 25 25 LYS HD2 H 1 1.536 0.030 . 1 . . . . 25 LYS HD2 . 11292 1 213 . 1 1 25 25 LYS HD3 H 1 1.536 0.030 . 1 . . . . 25 LYS HD3 . 11292 1 214 . 1 1 25 25 LYS HE2 H 1 2.855 0.030 . 1 . . . . 25 LYS HE2 . 11292 1 215 . 1 1 25 25 LYS HE3 H 1 2.855 0.030 . 1 . . . . 25 LYS HE3 . 11292 1 216 . 1 1 25 25 LYS HG2 H 1 1.310 0.030 . 2 . . . . 25 LYS HG2 . 11292 1 217 . 1 1 25 25 LYS HG3 H 1 1.266 0.030 . 2 . . . . 25 LYS HG3 . 11292 1 218 . 1 1 25 25 LYS C C 13 172.292 0.300 . 1 . . . . 25 LYS C . 11292 1 219 . 1 1 25 25 LYS CA C 13 55.369 0.300 . 1 . . . . 25 LYS CA . 11292 1 220 . 1 1 25 25 LYS CB C 13 36.966 0.300 . 1 . . . . 25 LYS CB . 11292 1 221 . 1 1 25 25 LYS CD C 13 29.361 0.300 . 1 . . . . 25 LYS CD . 11292 1 222 . 1 1 25 25 LYS CE C 13 42.065 0.300 . 1 . . . . 25 LYS CE . 11292 1 223 . 1 1 25 25 LYS CG C 13 24.340 0.300 . 1 . . . . 25 LYS CG . 11292 1 224 . 1 1 25 25 LYS N N 15 129.671 0.300 . 1 . . . . 25 LYS N . 11292 1 225 . 1 1 26 26 ALA H H 1 7.989 0.030 . 1 . . . . 26 ALA H . 11292 1 226 . 1 1 26 26 ALA HA H 1 4.819 0.030 . 1 . . . . 26 ALA HA . 11292 1 227 . 1 1 26 26 ALA HB1 H 1 0.588 0.030 . 1 . . . . 26 ALA HB . 11292 1 228 . 1 1 26 26 ALA HB2 H 1 0.588 0.030 . 1 . . . . 26 ALA HB . 11292 1 229 . 1 1 26 26 ALA HB3 H 1 0.588 0.030 . 1 . . . . 26 ALA HB . 11292 1 230 . 1 1 26 26 ALA C C 13 175.352 0.300 . 1 . . . . 26 ALA C . 11292 1 231 . 1 1 26 26 ALA CA C 13 50.088 0.300 . 1 . . . . 26 ALA CA . 11292 1 232 . 1 1 26 26 ALA CB C 13 22.596 0.300 . 1 . . . . 26 ALA CB . 11292 1 233 . 1 1 26 26 ALA N N 15 122.150 0.300 . 1 . . . . 26 ALA N . 11292 1 234 . 1 1 27 27 GLU H H 1 8.787 0.030 . 1 . . . . 27 GLU H . 11292 1 235 . 1 1 27 27 GLU HA H 1 4.959 0.030 . 1 . . . . 27 GLU HA . 11292 1 236 . 1 1 27 27 GLU HB2 H 1 1.954 0.030 . 2 . . . . 27 GLU HB2 . 11292 1 237 . 1 1 27 27 GLU HB3 H 1 1.837 0.030 . 2 . . . . 27 GLU HB3 . 11292 1 238 . 1 1 27 27 GLU HG2 H 1 2.119 0.030 . 2 . . . . 27 GLU HG2 . 11292 1 239 . 1 1 27 27 GLU HG3 H 1 2.076 0.030 . 2 . . . . 27 GLU HG3 . 11292 1 240 . 1 1 27 27 GLU C C 13 173.262 0.300 . 1 . . . . 27 GLU C . 11292 1 241 . 1 1 27 27 GLU CA C 13 52.201 0.300 . 1 . . . . 27 GLU CA . 11292 1 242 . 1 1 27 27 GLU CB C 13 32.803 0.300 . 1 . . . . 27 GLU CB . 11292 1 243 . 1 1 27 27 GLU CG C 13 35.858 0.300 . 1 . . . . 27 GLU CG . 11292 1 244 . 1 1 27 27 GLU N N 15 121.768 0.300 . 1 . . . . 27 GLU N . 11292 1 245 . 1 1 28 28 PRO HA H 1 4.431 0.030 . 1 . . . . 28 PRO HA . 11292 1 246 . 1 1 28 28 PRO HB2 H 1 2.514 0.030 . 2 . . . . 28 PRO HB2 . 11292 1 247 . 1 1 28 28 PRO HB3 H 1 1.958 0.030 . 2 . . . . 28 PRO HB3 . 11292 1 248 . 1 1 28 28 PRO HD2 H 1 3.891 0.030 . 2 . . . . 28 PRO HD2 . 11292 1 249 . 1 1 28 28 PRO HD3 H 1 3.788 0.030 . 2 . . . . 28 PRO HD3 . 11292 1 250 . 1 1 28 28 PRO HG2 H 1 2.320 0.030 . 2 . . . . 28 PRO HG2 . 11292 1 251 . 1 1 28 28 PRO HG3 H 1 2.173 0.030 . 2 . . . . 28 PRO HG3 . 11292 1 252 . 1 1 28 28 PRO C C 13 175.714 0.300 . 1 . . . . 28 PRO C . 11292 1 253 . 1 1 28 28 PRO CA C 13 63.552 0.300 . 1 . . . . 28 PRO CA . 11292 1 254 . 1 1 28 28 PRO CB C 13 32.508 0.300 . 1 . . . . 28 PRO CB . 11292 1 255 . 1 1 28 28 PRO CD C 13 50.968 0.300 . 1 . . . . 28 PRO CD . 11292 1 256 . 1 1 28 28 PRO CG C 13 28.404 0.300 . 1 . . . . 28 PRO CG . 11292 1 257 . 1 1 29 29 GLU H H 1 8.450 0.030 . 1 . . . . 29 GLU H . 11292 1 258 . 1 1 29 29 GLU HA H 1 4.532 0.030 . 1 . . . . 29 GLU HA . 11292 1 259 . 1 1 29 29 GLU HB2 H 1 1.959 0.030 . 2 . . . . 29 GLU HB2 . 11292 1 260 . 1 1 29 29 GLU HB3 H 1 1.746 0.030 . 2 . . . . 29 GLU HB3 . 11292 1 261 . 1 1 29 29 GLU HG2 H 1 2.157 0.030 . 2 . . . . 29 GLU HG2 . 11292 1 262 . 1 1 29 29 GLU HG3 H 1 1.984 0.030 . 2 . . . . 29 GLU HG3 . 11292 1 263 . 1 1 29 29 GLU C C 13 175.370 0.300 . 1 . . . . 29 GLU C . 11292 1 264 . 1 1 29 29 GLU CA C 13 56.405 0.300 . 1 . . . . 29 GLU CA . 11292 1 265 . 1 1 29 29 GLU CB C 13 32.372 0.300 . 1 . . . . 29 GLU CB . 11292 1 266 . 1 1 29 29 GLU CG C 13 37.172 0.300 . 1 . . . . 29 GLU CG . 11292 1 267 . 1 1 29 29 GLU N N 15 122.707 0.300 . 1 . . . . 29 GLU N . 11292 1 268 . 1 1 30 30 SER H H 1 8.309 0.030 . 1 . . . . 30 SER H . 11292 1 269 . 1 1 30 30 SER HA H 1 5.019 0.030 . 1 . . . . 30 SER HA . 11292 1 270 . 1 1 30 30 SER HB2 H 1 4.243 0.030 . 2 . . . . 30 SER HB2 . 11292 1 271 . 1 1 30 30 SER HB3 H 1 3.965 0.030 . 2 . . . . 30 SER HB3 . 11292 1 272 . 1 1 30 30 SER C C 13 174.543 0.300 . 1 . . . . 30 SER C . 11292 1 273 . 1 1 30 30 SER CA C 13 58.141 0.300 . 1 . . . . 30 SER CA . 11292 1 274 . 1 1 30 30 SER CB C 13 65.439 0.300 . 1 . . . . 30 SER CB . 11292 1 275 . 1 1 30 30 SER N N 15 113.859 0.300 . 1 . . . . 30 SER N . 11292 1 276 . 1 1 31 31 GLU H H 1 9.741 0.030 . 1 . . . . 31 GLU H . 11292 1 277 . 1 1 31 31 GLU HA H 1 4.589 0.030 . 1 . . . . 31 GLU HA . 11292 1 278 . 1 1 31 31 GLU HB2 H 1 2.069 0.030 . 2 . . . . 31 GLU HB2 . 11292 1 279 . 1 1 31 31 GLU HB3 H 1 1.954 0.030 . 2 . . . . 31 GLU HB3 . 11292 1 280 . 1 1 31 31 GLU HG2 H 1 2.345 0.030 . 2 . . . . 31 GLU HG2 . 11292 1 281 . 1 1 31 31 GLU HG3 H 1 2.271 0.030 . 2 . . . . 31 GLU HG3 . 11292 1 282 . 1 1 31 31 GLU C C 13 174.510 0.300 . 1 . . . . 31 GLU C . 11292 1 283 . 1 1 31 31 GLU CA C 13 58.395 0.300 . 1 . . . . 31 GLU CA . 11292 1 284 . 1 1 31 31 GLU CB C 13 30.061 0.300 . 1 . . . . 31 GLU CB . 11292 1 285 . 1 1 31 31 GLU CG C 13 36.639 0.300 . 1 . . . . 31 GLU CG . 11292 1 286 . 1 1 31 31 GLU N N 15 119.639 0.300 . 1 . . . . 31 GLU N . 11292 1 287 . 1 1 32 32 THR H H 1 7.961 0.030 . 1 . . . . 32 THR H . 11292 1 288 . 1 1 32 32 THR HA H 1 4.528 0.030 . 1 . . . . 32 THR HA . 11292 1 289 . 1 1 32 32 THR HB H 1 4.548 0.030 . 1 . . . . 32 THR HB . 11292 1 290 . 1 1 32 32 THR HG21 H 1 1.122 0.030 . 1 . . . . 32 THR HG2 . 11292 1 291 . 1 1 32 32 THR HG22 H 1 1.122 0.030 . 1 . . . . 32 THR HG2 . 11292 1 292 . 1 1 32 32 THR HG23 H 1 1.122 0.030 . 1 . . . . 32 THR HG2 . 11292 1 293 . 1 1 32 32 THR C C 13 174.362 0.300 . 1 . . . . 32 THR C . 11292 1 294 . 1 1 32 32 THR CA C 13 59.818 0.300 . 1 . . . . 32 THR CA . 11292 1 295 . 1 1 32 32 THR CB C 13 71.241 0.300 . 1 . . . . 32 THR CB . 11292 1 296 . 1 1 32 32 THR CG2 C 13 21.144 0.300 . 1 . . . . 32 THR CG2 . 11292 1 297 . 1 1 32 32 THR N N 15 101.212 0.300 . 1 . . . . 32 THR N . 11292 1 298 . 1 1 33 33 SER H H 1 7.137 0.030 . 1 . . . . 33 SER H . 11292 1 299 . 1 1 33 33 SER HA H 1 5.639 0.030 . 1 . . . . 33 SER HA . 11292 1 300 . 1 1 33 33 SER HB2 H 1 3.690 0.030 . 2 . . . . 33 SER HB2 . 11292 1 301 . 1 1 33 33 SER HB3 H 1 3.513 0.030 . 2 . . . . 33 SER HB3 . 11292 1 302 . 1 1 33 33 SER C C 13 173.489 0.300 . 1 . . . . 33 SER C . 11292 1 303 . 1 1 33 33 SER CA C 13 56.888 0.300 . 1 . . . . 33 SER CA . 11292 1 304 . 1 1 33 33 SER CB C 13 66.515 0.300 . 1 . . . . 33 SER CB . 11292 1 305 . 1 1 33 33 SER N N 15 113.827 0.300 . 1 . . . . 33 SER N . 11292 1 306 . 1 1 34 34 ILE H H 1 8.398 0.030 . 1 . . . . 34 ILE H . 11292 1 307 . 1 1 34 34 ILE HA H 1 4.204 0.030 . 1 . . . . 34 ILE HA . 11292 1 308 . 1 1 34 34 ILE HB H 1 1.177 0.030 . 1 . . . . 34 ILE HB . 11292 1 309 . 1 1 34 34 ILE HD11 H 1 0.808 0.030 . 1 . . . . 34 ILE HD1 . 11292 1 310 . 1 1 34 34 ILE HD12 H 1 0.808 0.030 . 1 . . . . 34 ILE HD1 . 11292 1 311 . 1 1 34 34 ILE HD13 H 1 0.808 0.030 . 1 . . . . 34 ILE HD1 . 11292 1 312 . 1 1 34 34 ILE HG12 H 1 1.487 0.030 . 2 . . . . 34 ILE HG12 . 11292 1 313 . 1 1 34 34 ILE HG13 H 1 0.719 0.030 . 2 . . . . 34 ILE HG13 . 11292 1 314 . 1 1 34 34 ILE HG21 H 1 0.385 0.030 . 1 . . . . 34 ILE HG2 . 11292 1 315 . 1 1 34 34 ILE HG22 H 1 0.385 0.030 . 1 . . . . 34 ILE HG2 . 11292 1 316 . 1 1 34 34 ILE HG23 H 1 0.385 0.030 . 1 . . . . 34 ILE HG2 . 11292 1 317 . 1 1 34 34 ILE C C 13 172.306 0.300 . 1 . . . . 34 ILE C . 11292 1 318 . 1 1 34 34 ILE CA C 13 60.074 0.300 . 1 . . . . 34 ILE CA . 11292 1 319 . 1 1 34 34 ILE CB C 13 43.543 0.300 . 1 . . . . 34 ILE CB . 11292 1 320 . 1 1 34 34 ILE CD1 C 13 14.143 0.300 . 1 . . . . 34 ILE CD1 . 11292 1 321 . 1 1 34 34 ILE CG1 C 13 29.495 0.300 . 1 . . . . 34 ILE CG1 . 11292 1 322 . 1 1 34 34 ILE CG2 C 13 17.832 0.300 . 1 . . . . 34 ILE CG2 . 11292 1 323 . 1 1 34 34 ILE N N 15 124.420 0.300 . 1 . . . . 34 ILE N . 11292 1 324 . 1 1 35 35 LEU H H 1 8.752 0.030 . 1 . . . . 35 LEU H . 11292 1 325 . 1 1 35 35 LEU HA H 1 4.638 0.030 . 1 . . . . 35 LEU HA . 11292 1 326 . 1 1 35 35 LEU HB2 H 1 1.741 0.030 . 2 . . . . 35 LEU HB2 . 11292 1 327 . 1 1 35 35 LEU HB3 H 1 1.282 0.030 . 2 . . . . 35 LEU HB3 . 11292 1 328 . 1 1 35 35 LEU HD11 H 1 0.693 0.030 . 1 . . . . 35 LEU HD1 . 11292 1 329 . 1 1 35 35 LEU HD12 H 1 0.693 0.030 . 1 . . . . 35 LEU HD1 . 11292 1 330 . 1 1 35 35 LEU HD13 H 1 0.693 0.030 . 1 . . . . 35 LEU HD1 . 11292 1 331 . 1 1 35 35 LEU HD21 H 1 0.729 0.030 . 1 . . . . 35 LEU HD2 . 11292 1 332 . 1 1 35 35 LEU HD22 H 1 0.729 0.030 . 1 . . . . 35 LEU HD2 . 11292 1 333 . 1 1 35 35 LEU HD23 H 1 0.729 0.030 . 1 . . . . 35 LEU HD2 . 11292 1 334 . 1 1 35 35 LEU HG H 1 1.280 0.030 . 1 . . . . 35 LEU HG . 11292 1 335 . 1 1 35 35 LEU C C 13 175.703 0.300 . 1 . . . . 35 LEU C . 11292 1 336 . 1 1 35 35 LEU CA C 13 53.935 0.300 . 1 . . . . 35 LEU CA . 11292 1 337 . 1 1 35 35 LEU CB C 13 43.510 0.300 . 1 . . . . 35 LEU CB . 11292 1 338 . 1 1 35 35 LEU CD1 C 13 23.434 0.300 . 2 . . . . 35 LEU CD1 . 11292 1 339 . 1 1 35 35 LEU CD2 C 13 24.852 0.300 . 2 . . . . 35 LEU CD2 . 11292 1 340 . 1 1 35 35 LEU CG C 13 27.038 0.300 . 1 . . . . 35 LEU CG . 11292 1 341 . 1 1 35 35 LEU N N 15 127.633 0.300 . 1 . . . . 35 LEU N . 11292 1 342 . 1 1 36 36 LEU H H 1 9.283 0.030 . 1 . . . . 36 LEU H . 11292 1 343 . 1 1 36 36 LEU HA H 1 5.405 0.030 . 1 . . . . 36 LEU HA . 11292 1 344 . 1 1 36 36 LEU HB2 H 1 2.280 0.030 . 2 . . . . 36 LEU HB2 . 11292 1 345 . 1 1 36 36 LEU HB3 H 1 1.774 0.030 . 2 . . . . 36 LEU HB3 . 11292 1 346 . 1 1 36 36 LEU HD11 H 1 0.628 0.030 . 1 . . . . 36 LEU HD1 . 11292 1 347 . 1 1 36 36 LEU HD12 H 1 0.628 0.030 . 1 . . . . 36 LEU HD1 . 11292 1 348 . 1 1 36 36 LEU HD13 H 1 0.628 0.030 . 1 . . . . 36 LEU HD1 . 11292 1 349 . 1 1 36 36 LEU HD21 H 1 0.092 0.030 . 1 . . . . 36 LEU HD2 . 11292 1 350 . 1 1 36 36 LEU HD22 H 1 0.092 0.030 . 1 . . . . 36 LEU HD2 . 11292 1 351 . 1 1 36 36 LEU HD23 H 1 0.092 0.030 . 1 . . . . 36 LEU HD2 . 11292 1 352 . 1 1 36 36 LEU HG H 1 1.422 0.030 . 1 . . . . 36 LEU HG . 11292 1 353 . 1 1 36 36 LEU C C 13 176.023 0.300 . 1 . . . . 36 LEU C . 11292 1 354 . 1 1 36 36 LEU CA C 13 53.161 0.300 . 1 . . . . 36 LEU CA . 11292 1 355 . 1 1 36 36 LEU CB C 13 43.917 0.300 . 1 . . . . 36 LEU CB . 11292 1 356 . 1 1 36 36 LEU CD1 C 13 26.724 0.300 . 2 . . . . 36 LEU CD1 . 11292 1 357 . 1 1 36 36 LEU CD2 C 13 24.070 0.300 . 2 . . . . 36 LEU CD2 . 11292 1 358 . 1 1 36 36 LEU CG C 13 27.724 0.300 . 1 . . . . 36 LEU CG . 11292 1 359 . 1 1 36 36 LEU N N 15 130.475 0.300 . 1 . . . . 36 LEU N . 11292 1 360 . 1 1 37 37 SER H H 1 8.985 0.030 . 1 . . . . 37 SER H . 11292 1 361 . 1 1 37 37 SER HA H 1 4.805 0.030 . 1 . . . . 37 SER HA . 11292 1 362 . 1 1 37 37 SER HB2 H 1 3.762 0.030 . 2 . . . . 37 SER HB2 . 11292 1 363 . 1 1 37 37 SER HB3 H 1 3.657 0.030 . 2 . . . . 37 SER HB3 . 11292 1 364 . 1 1 37 37 SER C C 13 172.798 0.300 . 1 . . . . 37 SER C . 11292 1 365 . 1 1 37 37 SER CA C 13 58.272 0.300 . 1 . . . . 37 SER CA . 11292 1 366 . 1 1 37 37 SER CB C 13 66.009 0.300 . 1 . . . . 37 SER CB . 11292 1 367 . 1 1 37 37 SER N N 15 113.738 0.300 . 1 . . . . 37 SER N . 11292 1 368 . 1 1 38 38 TRP H H 1 7.694 0.030 . 1 . . . . 38 TRP H . 11292 1 369 . 1 1 38 38 TRP HA H 1 5.024 0.030 . 1 . . . . 38 TRP HA . 11292 1 370 . 1 1 38 38 TRP HB2 H 1 3.628 0.030 . 2 . . . . 38 TRP HB2 . 11292 1 371 . 1 1 38 38 TRP HB3 H 1 2.979 0.030 . 2 . . . . 38 TRP HB3 . 11292 1 372 . 1 1 38 38 TRP HD1 H 1 6.314 0.030 . 1 . . . . 38 TRP HD1 . 11292 1 373 . 1 1 38 38 TRP HE1 H 1 8.561 0.030 . 1 . . . . 38 TRP HE1 . 11292 1 374 . 1 1 38 38 TRP HE3 H 1 6.946 0.030 . 1 . . . . 38 TRP HE3 . 11292 1 375 . 1 1 38 38 TRP HH2 H 1 6.459 0.030 . 1 . . . . 38 TRP HH2 . 11292 1 376 . 1 1 38 38 TRP HZ2 H 1 6.267 0.030 . 1 . . . . 38 TRP HZ2 . 11292 1 377 . 1 1 38 38 TRP HZ3 H 1 6.512 0.030 . 1 . . . . 38 TRP HZ3 . 11292 1 378 . 1 1 38 38 TRP C C 13 173.772 0.300 . 1 . . . . 38 TRP C . 11292 1 379 . 1 1 38 38 TRP CA C 13 57.657 0.300 . 1 . . . . 38 TRP CA . 11292 1 380 . 1 1 38 38 TRP CB C 13 29.828 0.300 . 1 . . . . 38 TRP CB . 11292 1 381 . 1 1 38 38 TRP CD1 C 13 122.959 0.300 . 1 . . . . 38 TRP CD1 . 11292 1 382 . 1 1 38 38 TRP CE3 C 13 119.914 0.300 . 1 . . . . 38 TRP CE3 . 11292 1 383 . 1 1 38 38 TRP CH2 C 13 123.306 0.300 . 1 . . . . 38 TRP CH2 . 11292 1 384 . 1 1 38 38 TRP CZ2 C 13 113.944 0.300 . 1 . . . . 38 TRP CZ2 . 11292 1 385 . 1 1 38 38 TRP CZ3 C 13 119.854 0.300 . 1 . . . . 38 TRP CZ3 . 11292 1 386 . 1 1 38 38 TRP N N 15 116.146 0.300 . 1 . . . . 38 TRP N . 11292 1 387 . 1 1 38 38 TRP NE1 N 15 128.490 0.300 . 1 . . . . 38 TRP NE1 . 11292 1 388 . 1 1 39 39 THR H H 1 9.366 0.030 . 1 . . . . 39 THR H . 11292 1 389 . 1 1 39 39 THR HA H 1 4.895 0.030 . 1 . . . . 39 THR HA . 11292 1 390 . 1 1 39 39 THR HB H 1 3.943 0.030 . 1 . . . . 39 THR HB . 11292 1 391 . 1 1 39 39 THR HG21 H 1 1.366 0.030 . 1 . . . . 39 THR HG2 . 11292 1 392 . 1 1 39 39 THR HG22 H 1 1.366 0.030 . 1 . . . . 39 THR HG2 . 11292 1 393 . 1 1 39 39 THR HG23 H 1 1.366 0.030 . 1 . . . . 39 THR HG2 . 11292 1 394 . 1 1 39 39 THR CA C 13 59.371 0.300 . 1 . . . . 39 THR CA . 11292 1 395 . 1 1 39 39 THR CB C 13 70.928 0.300 . 1 . . . . 39 THR CB . 11292 1 396 . 1 1 39 39 THR CG2 C 13 21.140 0.300 . 1 . . . . 39 THR CG2 . 11292 1 397 . 1 1 39 39 THR N N 15 116.341 0.300 . 1 . . . . 39 THR N . 11292 1 398 . 1 1 40 40 PRO HA H 1 4.843 0.030 . 1 . . . . 40 PRO HA . 11292 1 399 . 1 1 40 40 PRO HB2 H 1 1.937 0.030 . 2 . . . . 40 PRO HB2 . 11292 1 400 . 1 1 40 40 PRO HB3 H 1 2.648 0.030 . 2 . . . . 40 PRO HB3 . 11292 1 401 . 1 1 40 40 PRO HD2 H 1 4.021 0.030 . 2 . . . . 40 PRO HD2 . 11292 1 402 . 1 1 40 40 PRO HD3 H 1 3.805 0.030 . 2 . . . . 40 PRO HD3 . 11292 1 403 . 1 1 40 40 PRO HG2 H 1 2.231 0.030 . 2 . . . . 40 PRO HG2 . 11292 1 404 . 1 1 40 40 PRO HG3 H 1 2.067 0.030 . 2 . . . . 40 PRO HG3 . 11292 1 405 . 1 1 40 40 PRO CA C 13 61.758 0.300 . 1 . . . . 40 PRO CA . 11292 1 406 . 1 1 40 40 PRO CB C 13 31.650 0.300 . 1 . . . . 40 PRO CB . 11292 1 407 . 1 1 40 40 PRO CD C 13 51.990 0.300 . 1 . . . . 40 PRO CD . 11292 1 408 . 1 1 40 40 PRO CG C 13 28.467 0.300 . 1 . . . . 40 PRO CG . 11292 1 409 . 1 1 41 41 PRO HA H 1 4.440 0.030 . 1 . . . . 41 PRO HA . 11292 1 410 . 1 1 41 41 PRO HB2 H 1 1.765 0.030 . 2 . . . . 41 PRO HB2 . 11292 1 411 . 1 1 41 41 PRO HB3 H 1 2.005 0.030 . 2 . . . . 41 PRO HB3 . 11292 1 412 . 1 1 41 41 PRO HD2 H 1 3.935 0.030 . 2 . . . . 41 PRO HD2 . 11292 1 413 . 1 1 41 41 PRO HD3 H 1 3.560 0.030 . 2 . . . . 41 PRO HD3 . 11292 1 414 . 1 1 41 41 PRO HG2 H 1 1.768 0.030 . 2 . . . . 41 PRO HG2 . 11292 1 415 . 1 1 41 41 PRO HG3 H 1 1.913 0.030 . 2 . . . . 41 PRO HG3 . 11292 1 416 . 1 1 41 41 PRO CA C 13 61.883 0.300 . 1 . . . . 41 PRO CA . 11292 1 417 . 1 1 41 41 PRO CB C 13 31.990 0.300 . 1 . . . . 41 PRO CB . 11292 1 418 . 1 1 41 41 PRO CD C 13 49.994 0.300 . 1 . . . . 41 PRO CD . 11292 1 419 . 1 1 41 41 PRO CG C 13 27.174 0.300 . 1 . . . . 41 PRO CG . 11292 1 420 . 1 1 42 42 ARG H H 1 8.434 0.030 . 1 . . . . 42 ARG H . 11292 1 421 . 1 1 42 42 ARG HA H 1 4.235 0.030 . 1 . . . . 42 ARG HA . 11292 1 422 . 1 1 42 42 ARG HB2 H 1 1.880 0.030 . 2 . . . . 42 ARG HB2 . 11292 1 423 . 1 1 42 42 ARG HB3 H 1 1.766 0.030 . 2 . . . . 42 ARG HB3 . 11292 1 424 . 1 1 42 42 ARG HD2 H 1 3.217 0.030 . 1 . . . . 42 ARG HD2 . 11292 1 425 . 1 1 42 42 ARG HD3 H 1 3.217 0.030 . 1 . . . . 42 ARG HD3 . 11292 1 426 . 1 1 42 42 ARG HG2 H 1 1.705 0.030 . 2 . . . . 42 ARG HG2 . 11292 1 427 . 1 1 42 42 ARG HG3 H 1 1.616 0.030 . 2 . . . . 42 ARG HG3 . 11292 1 428 . 1 1 42 42 ARG CA C 13 56.522 0.300 . 1 . . . . 42 ARG CA . 11292 1 429 . 1 1 42 42 ARG CB C 13 29.273 0.300 . 1 . . . . 42 ARG CB . 11292 1 430 . 1 1 42 42 ARG CD C 13 43.377 0.300 . 1 . . . . 42 ARG CD . 11292 1 431 . 1 1 42 42 ARG CG C 13 26.972 0.300 . 1 . . . . 42 ARG CG . 11292 1 432 . 1 1 42 42 ARG N N 15 120.678 0.300 . 1 . . . . 42 ARG N . 11292 1 433 . 1 1 43 43 SER H H 1 7.971 0.030 . 1 . . . . 43 SER H . 11292 1 434 . 1 1 43 43 SER HA H 1 4.441 0.030 . 1 . . . . 43 SER HA . 11292 1 435 . 1 1 43 43 SER HB2 H 1 3.820 0.030 . 2 . . . . 43 SER HB2 . 11292 1 436 . 1 1 43 43 SER HB3 H 1 3.488 0.030 . 2 . . . . 43 SER HB3 . 11292 1 437 . 1 1 43 43 SER CA C 13 58.402 0.300 . 1 . . . . 43 SER CA . 11292 1 438 . 1 1 43 43 SER CB C 13 64.262 0.300 . 1 . . . . 43 SER CB . 11292 1 439 . 1 1 43 43 SER N N 15 118.533 0.300 . 1 . . . . 43 SER N . 11292 1 440 . 1 1 44 44 ASP HA H 1 4.791 0.030 . 1 . . . . 44 ASP HA . 11292 1 441 . 1 1 44 44 ASP HB2 H 1 2.763 0.030 . 2 . . . . 44 ASP HB2 . 11292 1 442 . 1 1 44 44 ASP HB3 H 1 2.632 0.030 . 2 . . . . 44 ASP HB3 . 11292 1 443 . 1 1 44 44 ASP C C 13 176.598 0.300 . 1 . . . . 44 ASP C . 11292 1 444 . 1 1 44 44 ASP CA C 13 55.185 0.300 . 1 . . . . 44 ASP CA . 11292 1 445 . 1 1 44 44 ASP CB C 13 41.835 0.300 . 1 . . . . 44 ASP CB . 11292 1 446 . 1 1 45 45 THR H H 1 8.252 0.030 . 1 . . . . 45 THR H . 11292 1 447 . 1 1 45 45 THR HA H 1 4.353 0.030 . 1 . . . . 45 THR HA . 11292 1 448 . 1 1 45 45 THR HB H 1 4.259 0.030 . 1 . . . . 45 THR HB . 11292 1 449 . 1 1 45 45 THR HG21 H 1 1.125 0.030 . 1 . . . . 45 THR HG2 . 11292 1 450 . 1 1 45 45 THR HG22 H 1 1.125 0.030 . 1 . . . . 45 THR HG2 . 11292 1 451 . 1 1 45 45 THR HG23 H 1 1.125 0.030 . 1 . . . . 45 THR HG2 . 11292 1 452 . 1 1 45 45 THR C C 13 173.920 0.300 . 1 . . . . 45 THR C . 11292 1 453 . 1 1 45 45 THR CA C 13 61.241 0.300 . 1 . . . . 45 THR CA . 11292 1 454 . 1 1 45 45 THR CB C 13 69.618 0.300 . 1 . . . . 45 THR CB . 11292 1 455 . 1 1 45 45 THR CG2 C 13 21.807 0.300 . 1 . . . . 45 THR CG2 . 11292 1 456 . 1 1 45 45 THR N N 15 112.104 0.300 . 1 . . . . 45 THR N . 11292 1 457 . 1 1 46 46 ILE H H 1 7.961 0.030 . 1 . . . . 46 ILE H . 11292 1 458 . 1 1 46 46 ILE HA H 1 3.816 0.030 . 1 . . . . 46 ILE HA . 11292 1 459 . 1 1 46 46 ILE HB H 1 1.789 0.030 . 1 . . . . 46 ILE HB . 11292 1 460 . 1 1 46 46 ILE HD11 H 1 0.818 0.030 . 1 . . . . 46 ILE HD1 . 11292 1 461 . 1 1 46 46 ILE HD12 H 1 0.818 0.030 . 1 . . . . 46 ILE HD1 . 11292 1 462 . 1 1 46 46 ILE HD13 H 1 0.818 0.030 . 1 . . . . 46 ILE HD1 . 11292 1 463 . 1 1 46 46 ILE HG12 H 1 0.726 0.030 . 2 . . . . 46 ILE HG12 . 11292 1 464 . 1 1 46 46 ILE HG13 H 1 1.522 0.030 . 2 . . . . 46 ILE HG13 . 11292 1 465 . 1 1 46 46 ILE HG21 H 1 0.449 0.030 . 1 . . . . 46 ILE HG2 . 11292 1 466 . 1 1 46 46 ILE HG22 H 1 0.449 0.030 . 1 . . . . 46 ILE HG2 . 11292 1 467 . 1 1 46 46 ILE HG23 H 1 0.449 0.030 . 1 . . . . 46 ILE HG2 . 11292 1 468 . 1 1 46 46 ILE C C 13 175.606 0.300 . 1 . . . . 46 ILE C . 11292 1 469 . 1 1 46 46 ILE CA C 13 61.642 0.300 . 1 . . . . 46 ILE CA . 11292 1 470 . 1 1 46 46 ILE CB C 13 38.409 0.300 . 1 . . . . 46 ILE CB . 11292 1 471 . 1 1 46 46 ILE CD1 C 13 13.257 0.300 . 1 . . . . 46 ILE CD1 . 11292 1 472 . 1 1 46 46 ILE CG1 C 13 28.027 0.300 . 1 . . . . 46 ILE CG1 . 11292 1 473 . 1 1 46 46 ILE CG2 C 13 17.393 0.300 . 1 . . . . 46 ILE CG2 . 11292 1 474 . 1 1 46 46 ILE N N 15 123.411 0.300 . 1 . . . . 46 ILE N . 11292 1 475 . 1 1 47 47 ALA H H 1 9.276 0.030 . 1 . . . . 47 ALA H . 11292 1 476 . 1 1 47 47 ALA HA H 1 4.326 0.030 . 1 . . . . 47 ALA HA . 11292 1 477 . 1 1 47 47 ALA HB1 H 1 1.203 0.030 . 1 . . . . 47 ALA HB . 11292 1 478 . 1 1 47 47 ALA HB2 H 1 1.203 0.030 . 1 . . . . 47 ALA HB . 11292 1 479 . 1 1 47 47 ALA HB3 H 1 1.203 0.030 . 1 . . . . 47 ALA HB . 11292 1 480 . 1 1 47 47 ALA C C 13 177.226 0.300 . 1 . . . . 47 ALA C . 11292 1 481 . 1 1 47 47 ALA CA C 13 53.334 0.300 . 1 . . . . 47 ALA CA . 11292 1 482 . 1 1 47 47 ALA CB C 13 20.269 0.300 . 1 . . . . 47 ALA CB . 11292 1 483 . 1 1 47 47 ALA N N 15 130.946 0.300 . 1 . . . . 47 ALA N . 11292 1 484 . 1 1 48 48 ASN H H 1 7.761 0.030 . 1 . . . . 48 ASN H . 11292 1 485 . 1 1 48 48 ASN HA H 1 4.309 0.030 . 1 . . . . 48 ASN HA . 11292 1 486 . 1 1 48 48 ASN HB2 H 1 3.346 0.030 . 2 . . . . 48 ASN HB2 . 11292 1 487 . 1 1 48 48 ASN HB3 H 1 2.808 0.030 . 2 . . . . 48 ASN HB3 . 11292 1 488 . 1 1 48 48 ASN HD21 H 1 7.071 0.030 . 2 . . . . 48 ASN HD21 . 11292 1 489 . 1 1 48 48 ASN HD22 H 1 6.710 0.030 . 2 . . . . 48 ASN HD22 . 11292 1 490 . 1 1 48 48 ASN C C 13 171.670 0.300 . 1 . . . . 48 ASN C . 11292 1 491 . 1 1 48 48 ASN CA C 13 53.210 0.300 . 1 . . . . 48 ASN CA . 11292 1 492 . 1 1 48 48 ASN CB C 13 40.162 0.300 . 1 . . . . 48 ASN CB . 11292 1 493 . 1 1 48 48 ASN N N 15 108.951 0.300 . 1 . . . . 48 ASN N . 11292 1 494 . 1 1 48 48 ASN ND2 N 15 112.592 0.300 . 1 . . . . 48 ASN ND2 . 11292 1 495 . 1 1 49 49 TYR H H 1 9.121 0.030 . 1 . . . . 49 TYR H . 11292 1 496 . 1 1 49 49 TYR HA H 1 5.040 0.030 . 1 . . . . 49 TYR HA . 11292 1 497 . 1 1 49 49 TYR HB2 H 1 2.411 0.030 . 2 . . . . 49 TYR HB2 . 11292 1 498 . 1 1 49 49 TYR HB3 H 1 2.335 0.030 . 2 . . . . 49 TYR HB3 . 11292 1 499 . 1 1 49 49 TYR HD1 H 1 6.522 0.030 . 1 . . . . 49 TYR HD1 . 11292 1 500 . 1 1 49 49 TYR HD2 H 1 6.522 0.030 . 1 . . . . 49 TYR HD2 . 11292 1 501 . 1 1 49 49 TYR HE1 H 1 6.705 0.030 . 1 . . . . 49 TYR HE1 . 11292 1 502 . 1 1 49 49 TYR HE2 H 1 6.705 0.030 . 1 . . . . 49 TYR HE2 . 11292 1 503 . 1 1 49 49 TYR C C 13 174.755 0.300 . 1 . . . . 49 TYR C . 11292 1 504 . 1 1 49 49 TYR CA C 13 56.660 0.300 . 1 . . . . 49 TYR CA . 11292 1 505 . 1 1 49 49 TYR CB C 13 41.564 0.300 . 1 . . . . 49 TYR CB . 11292 1 506 . 1 1 49 49 TYR CD1 C 13 132.337 0.300 . 1 . . . . 49 TYR CD1 . 11292 1 507 . 1 1 49 49 TYR CD2 C 13 132.337 0.300 . 1 . . . . 49 TYR CD2 . 11292 1 508 . 1 1 49 49 TYR CE1 C 13 117.625 0.300 . 1 . . . . 49 TYR CE1 . 11292 1 509 . 1 1 49 49 TYR CE2 C 13 117.625 0.300 . 1 . . . . 49 TYR CE2 . 11292 1 510 . 1 1 49 49 TYR N N 15 113.634 0.300 . 1 . . . . 49 TYR N . 11292 1 511 . 1 1 50 50 GLU H H 1 9.207 0.030 . 1 . . . . 50 GLU H . 11292 1 512 . 1 1 50 50 GLU HA H 1 4.952 0.030 . 1 . . . . 50 GLU HA . 11292 1 513 . 1 1 50 50 GLU HB2 H 1 1.857 0.030 . 2 . . . . 50 GLU HB2 . 11292 1 514 . 1 1 50 50 GLU HB3 H 1 1.644 0.030 . 2 . . . . 50 GLU HB3 . 11292 1 515 . 1 1 50 50 GLU HG2 H 1 1.944 0.030 . 2 . . . . 50 GLU HG2 . 11292 1 516 . 1 1 50 50 GLU HG3 H 1 1.894 0.030 . 2 . . . . 50 GLU HG3 . 11292 1 517 . 1 1 50 50 GLU C C 13 174.484 0.300 . 1 . . . . 50 GLU C . 11292 1 518 . 1 1 50 50 GLU CA C 13 55.430 0.300 . 1 . . . . 50 GLU CA . 11292 1 519 . 1 1 50 50 GLU CB C 13 32.289 0.300 . 1 . . . . 50 GLU CB . 11292 1 520 . 1 1 50 50 GLU CG C 13 37.047 0.300 . 1 . . . . 50 GLU CG . 11292 1 521 . 1 1 50 50 GLU N N 15 120.657 0.300 . 1 . . . . 50 GLU N . 11292 1 522 . 1 1 51 51 LEU H H 1 9.098 0.030 . 1 . . . . 51 LEU H . 11292 1 523 . 1 1 51 51 LEU HA H 1 4.983 0.030 . 1 . . . . 51 LEU HA . 11292 1 524 . 1 1 51 51 LEU HB2 H 1 1.898 0.030 . 2 . . . . 51 LEU HB2 . 11292 1 525 . 1 1 51 51 LEU HB3 H 1 0.982 0.030 . 2 . . . . 51 LEU HB3 . 11292 1 526 . 1 1 51 51 LEU HD11 H 1 1.139 0.030 . 1 . . . . 51 LEU HD1 . 11292 1 527 . 1 1 51 51 LEU HD12 H 1 1.139 0.030 . 1 . . . . 51 LEU HD1 . 11292 1 528 . 1 1 51 51 LEU HD13 H 1 1.139 0.030 . 1 . . . . 51 LEU HD1 . 11292 1 529 . 1 1 51 51 LEU HD21 H 1 0.870 0.030 . 1 . . . . 51 LEU HD2 . 11292 1 530 . 1 1 51 51 LEU HD22 H 1 0.870 0.030 . 1 . . . . 51 LEU HD2 . 11292 1 531 . 1 1 51 51 LEU HD23 H 1 0.870 0.030 . 1 . . . . 51 LEU HD2 . 11292 1 532 . 1 1 51 51 LEU HG H 1 1.701 0.030 . 1 . . . . 51 LEU HG . 11292 1 533 . 1 1 51 51 LEU C C 13 174.514 0.300 . 1 . . . . 51 LEU C . 11292 1 534 . 1 1 51 51 LEU CA C 13 53.334 0.300 . 1 . . . . 51 LEU CA . 11292 1 535 . 1 1 51 51 LEU CB C 13 44.743 0.300 . 1 . . . . 51 LEU CB . 11292 1 536 . 1 1 51 51 LEU CD1 C 13 24.605 0.300 . 2 . . . . 51 LEU CD1 . 11292 1 537 . 1 1 51 51 LEU CD2 C 13 27.062 0.300 . 2 . . . . 51 LEU CD2 . 11292 1 538 . 1 1 51 51 LEU CG C 13 27.928 0.300 . 1 . . . . 51 LEU CG . 11292 1 539 . 1 1 51 51 LEU N N 15 130.459 0.300 . 1 . . . . 51 LEU N . 11292 1 540 . 1 1 52 52 VAL H H 1 8.963 0.030 . 1 . . . . 52 VAL H . 11292 1 541 . 1 1 52 52 VAL HA H 1 5.259 0.030 . 1 . . . . 52 VAL HA . 11292 1 542 . 1 1 52 52 VAL HB H 1 1.844 0.030 . 1 . . . . 52 VAL HB . 11292 1 543 . 1 1 52 52 VAL HG11 H 1 0.808 0.030 . 1 . . . . 52 VAL HG1 . 11292 1 544 . 1 1 52 52 VAL HG12 H 1 0.808 0.030 . 1 . . . . 52 VAL HG1 . 11292 1 545 . 1 1 52 52 VAL HG13 H 1 0.808 0.030 . 1 . . . . 52 VAL HG1 . 11292 1 546 . 1 1 52 52 VAL HG21 H 1 0.868 0.030 . 1 . . . . 52 VAL HG2 . 11292 1 547 . 1 1 52 52 VAL HG22 H 1 0.868 0.030 . 1 . . . . 52 VAL HG2 . 11292 1 548 . 1 1 52 52 VAL HG23 H 1 0.868 0.030 . 1 . . . . 52 VAL HG2 . 11292 1 549 . 1 1 52 52 VAL C C 13 175.531 0.300 . 1 . . . . 52 VAL C . 11292 1 550 . 1 1 52 52 VAL CA C 13 60.455 0.300 . 1 . . . . 52 VAL CA . 11292 1 551 . 1 1 52 52 VAL CB C 13 33.690 0.300 . 1 . . . . 52 VAL CB . 11292 1 552 . 1 1 52 52 VAL CG1 C 13 21.243 0.300 . 2 . . . . 52 VAL CG1 . 11292 1 553 . 1 1 52 52 VAL CG2 C 13 21.394 0.300 . 2 . . . . 52 VAL CG2 . 11292 1 554 . 1 1 52 52 VAL N N 15 126.932 0.300 . 1 . . . . 52 VAL N . 11292 1 555 . 1 1 53 53 TYR H H 1 9.356 0.030 . 1 . . . . 53 TYR H . 11292 1 556 . 1 1 53 53 TYR HA H 1 6.163 0.030 . 1 . . . . 53 TYR HA . 11292 1 557 . 1 1 53 53 TYR HB2 H 1 2.951 0.030 . 2 . . . . 53 TYR HB2 . 11292 1 558 . 1 1 53 53 TYR HB3 H 1 2.837 0.030 . 2 . . . . 53 TYR HB3 . 11292 1 559 . 1 1 53 53 TYR HD1 H 1 6.825 0.030 . 1 . . . . 53 TYR HD1 . 11292 1 560 . 1 1 53 53 TYR HD2 H 1 6.825 0.030 . 1 . . . . 53 TYR HD2 . 11292 1 561 . 1 1 53 53 TYR HE1 H 1 6.641 0.030 . 1 . . . . 53 TYR HE1 . 11292 1 562 . 1 1 53 53 TYR HE2 H 1 6.641 0.030 . 1 . . . . 53 TYR HE2 . 11292 1 563 . 1 1 53 53 TYR C C 13 172.907 0.300 . 1 . . . . 53 TYR C . 11292 1 564 . 1 1 53 53 TYR CA C 13 54.698 0.300 . 1 . . . . 53 TYR CA . 11292 1 565 . 1 1 53 53 TYR CB C 13 44.145 0.300 . 1 . . . . 53 TYR CB . 11292 1 566 . 1 1 53 53 TYR CD1 C 13 132.839 0.300 . 1 . . . . 53 TYR CD1 . 11292 1 567 . 1 1 53 53 TYR CD2 C 13 132.839 0.300 . 1 . . . . 53 TYR CD2 . 11292 1 568 . 1 1 53 53 TYR CE1 C 13 118.275 0.300 . 1 . . . . 53 TYR CE1 . 11292 1 569 . 1 1 53 53 TYR CE2 C 13 118.275 0.300 . 1 . . . . 53 TYR CE2 . 11292 1 570 . 1 1 53 53 TYR N N 15 124.244 0.300 . 1 . . . . 53 TYR N . 11292 1 571 . 1 1 54 54 LYS H H 1 8.443 0.030 . 1 . . . . 54 LYS H . 11292 1 572 . 1 1 54 54 LYS HA H 1 4.735 0.030 . 1 . . . . 54 LYS HA . 11292 1 573 . 1 1 54 54 LYS HB2 H 1 1.627 0.030 . 2 . . . . 54 LYS HB2 . 11292 1 574 . 1 1 54 54 LYS HB3 H 1 1.310 0.030 . 2 . . . . 54 LYS HB3 . 11292 1 575 . 1 1 54 54 LYS HD2 H 1 1.537 0.030 . 2 . . . . 54 LYS HD2 . 11292 1 576 . 1 1 54 54 LYS HD3 H 1 1.380 0.030 . 2 . . . . 54 LYS HD3 . 11292 1 577 . 1 1 54 54 LYS HE2 H 1 2.644 0.030 . 2 . . . . 54 LYS HE2 . 11292 1 578 . 1 1 54 54 LYS HE3 H 1 2.558 0.030 . 2 . . . . 54 LYS HE3 . 11292 1 579 . 1 1 54 54 LYS HG2 H 1 1.335 0.030 . 2 . . . . 54 LYS HG2 . 11292 1 580 . 1 1 54 54 LYS HG3 H 1 1.241 0.030 . 2 . . . . 54 LYS HG3 . 11292 1 581 . 1 1 54 54 LYS C C 13 174.176 0.300 . 1 . . . . 54 LYS C . 11292 1 582 . 1 1 54 54 LYS CA C 13 54.779 0.300 . 1 . . . . 54 LYS CA . 11292 1 583 . 1 1 54 54 LYS CB C 13 37.154 0.300 . 1 . . . . 54 LYS CB . 11292 1 584 . 1 1 54 54 LYS CD C 13 30.000 0.300 . 1 . . . . 54 LYS CD . 11292 1 585 . 1 1 54 54 LYS CE C 13 42.069 0.300 . 1 . . . . 54 LYS CE . 11292 1 586 . 1 1 54 54 LYS CG C 13 24.070 0.300 . 1 . . . . 54 LYS CG . 11292 1 587 . 1 1 54 54 LYS N N 15 115.947 0.300 . 1 . . . . 54 LYS N . 11292 1 588 . 1 1 55 55 ASP H H 1 8.930 0.030 . 1 . . . . 55 ASP H . 11292 1 589 . 1 1 55 55 ASP HA H 1 4.214 0.030 . 1 . . . . 55 ASP HA . 11292 1 590 . 1 1 55 55 ASP HB2 H 1 2.826 0.030 . 2 . . . . 55 ASP HB2 . 11292 1 591 . 1 1 55 55 ASP HB3 H 1 2.505 0.030 . 2 . . . . 55 ASP HB3 . 11292 1 592 . 1 1 55 55 ASP C C 13 175.720 0.300 . 1 . . . . 55 ASP C . 11292 1 593 . 1 1 55 55 ASP CA C 13 52.705 0.300 . 1 . . . . 55 ASP CA . 11292 1 594 . 1 1 55 55 ASP CB C 13 40.195 0.300 . 1 . . . . 55 ASP CB . 11292 1 595 . 1 1 55 55 ASP N N 15 121.983 0.300 . 1 . . . . 55 ASP N . 11292 1 596 . 1 1 56 56 GLY H H 1 7.961 0.030 . 1 . . . . 56 GLY H . 11292 1 597 . 1 1 56 56 GLY HA2 H 1 4.235 0.030 . 2 . . . . 56 GLY HA2 . 11292 1 598 . 1 1 56 56 GLY HA3 H 1 3.669 0.030 . 2 . . . . 56 GLY HA3 . 11292 1 599 . 1 1 56 56 GLY C C 13 172.980 0.300 . 1 . . . . 56 GLY C . 11292 1 600 . 1 1 56 56 GLY CA C 13 44.708 0.300 . 1 . . . . 56 GLY CA . 11292 1 601 . 1 1 56 56 GLY N N 15 112.387 0.300 . 1 . . . . 56 GLY N . 11292 1 602 . 1 1 57 57 GLU H H 1 8.396 0.030 . 1 . . . . 57 GLU H . 11292 1 603 . 1 1 57 57 GLU HA H 1 3.044 0.030 . 1 . . . . 57 GLU HA . 11292 1 604 . 1 1 57 57 GLU HB2 H 1 1.570 0.030 . 2 . . . . 57 GLU HB2 . 11292 1 605 . 1 1 57 57 GLU HB3 H 1 1.380 0.030 . 2 . . . . 57 GLU HB3 . 11292 1 606 . 1 1 57 57 GLU HG2 H 1 1.719 0.030 . 2 . . . . 57 GLU HG2 . 11292 1 607 . 1 1 57 57 GLU HG3 H 1 1.643 0.030 . 2 . . . . 57 GLU HG3 . 11292 1 608 . 1 1 57 57 GLU C C 13 177.624 0.300 . 1 . . . . 57 GLU C . 11292 1 609 . 1 1 57 57 GLU CA C 13 59.234 0.300 . 1 . . . . 57 GLU CA . 11292 1 610 . 1 1 57 57 GLU CB C 13 29.647 0.300 . 1 . . . . 57 GLU CB . 11292 1 611 . 1 1 57 57 GLU CG C 13 35.858 0.300 . 1 . . . . 57 GLU CG . 11292 1 612 . 1 1 57 57 GLU N N 15 118.315 0.300 . 1 . . . . 57 GLU N . 11292 1 613 . 1 1 58 58 HIS H H 1 8.434 0.030 . 1 . . . . 58 HIS H . 11292 1 614 . 1 1 58 58 HIS HA H 1 4.890 0.030 . 1 . . . . 58 HIS HA . 11292 1 615 . 1 1 58 58 HIS HB2 H 1 3.381 0.030 . 2 . . . . 58 HIS HB2 . 11292 1 616 . 1 1 58 58 HIS HB3 H 1 2.874 0.030 . 2 . . . . 58 HIS HB3 . 11292 1 617 . 1 1 58 58 HIS HD2 H 1 7.041 0.030 . 1 . . . . 58 HIS HD2 . 11292 1 618 . 1 1 58 58 HIS C C 13 175.957 0.300 . 1 . . . . 58 HIS C . 11292 1 619 . 1 1 58 58 HIS CA C 13 54.197 0.300 . 1 . . . . 58 HIS CA . 11292 1 620 . 1 1 58 58 HIS CB C 13 29.581 0.300 . 1 . . . . 58 HIS CB . 11292 1 621 . 1 1 58 58 HIS CD2 C 13 119.782 0.300 . 1 . . . . 58 HIS CD2 . 11292 1 622 . 1 1 58 58 HIS N N 15 113.969 0.300 . 1 . . . . 58 HIS N . 11292 1 623 . 1 1 59 59 GLY H H 1 7.192 0.030 . 1 . . . . 59 GLY H . 11292 1 624 . 1 1 59 59 GLY HA2 H 1 4.012 0.030 . 2 . . . . 59 GLY HA2 . 11292 1 625 . 1 1 59 59 GLY HA3 H 1 3.802 0.030 . 2 . . . . 59 GLY HA3 . 11292 1 626 . 1 1 59 59 GLY C C 13 172.739 0.300 . 1 . . . . 59 GLY C . 11292 1 627 . 1 1 59 59 GLY CA C 13 45.528 0.300 . 1 . . . . 59 GLY CA . 11292 1 628 . 1 1 59 59 GLY N N 15 108.325 0.300 . 1 . . . . 59 GLY N . 11292 1 629 . 1 1 60 60 GLU H H 1 8.294 0.030 . 1 . . . . 60 GLU H . 11292 1 630 . 1 1 60 60 GLU HA H 1 4.128 0.030 . 1 . . . . 60 GLU HA . 11292 1 631 . 1 1 60 60 GLU HB2 H 1 1.908 0.030 . 1 . . . . 60 GLU HB2 . 11292 1 632 . 1 1 60 60 GLU HB3 H 1 1.908 0.030 . 1 . . . . 60 GLU HB3 . 11292 1 633 . 1 1 60 60 GLU HG2 H 1 2.296 0.030 . 2 . . . . 60 GLU HG2 . 11292 1 634 . 1 1 60 60 GLU HG3 H 1 2.223 0.030 . 2 . . . . 60 GLU HG3 . 11292 1 635 . 1 1 60 60 GLU C C 13 177.610 0.300 . 1 . . . . 60 GLU C . 11292 1 636 . 1 1 60 60 GLU CA C 13 56.243 0.300 . 1 . . . . 60 GLU CA . 11292 1 637 . 1 1 60 60 GLU CB C 13 30.230 0.300 . 1 . . . . 60 GLU CB . 11292 1 638 . 1 1 60 60 GLU CG C 13 36.187 0.300 . 1 . . . . 60 GLU CG . 11292 1 639 . 1 1 60 60 GLU N N 15 120.140 0.300 . 1 . . . . 60 GLU N . 11292 1 640 . 1 1 61 61 GLU H H 1 8.752 0.030 . 1 . . . . 61 GLU H . 11292 1 641 . 1 1 61 61 GLU HA H 1 4.010 0.030 . 1 . . . . 61 GLU HA . 11292 1 642 . 1 1 61 61 GLU HB2 H 1 1.903 0.030 . 2 . . . . 61 GLU HB2 . 11292 1 643 . 1 1 61 61 GLU HB3 H 1 1.629 0.030 . 2 . . . . 61 GLU HB3 . 11292 1 644 . 1 1 61 61 GLU HG2 H 1 2.387 0.030 . 2 . . . . 61 GLU HG2 . 11292 1 645 . 1 1 61 61 GLU HG3 H 1 1.840 0.030 . 2 . . . . 61 GLU HG3 . 11292 1 646 . 1 1 61 61 GLU C C 13 176.120 0.300 . 1 . . . . 61 GLU C . 11292 1 647 . 1 1 61 61 GLU CA C 13 57.657 0.300 . 1 . . . . 61 GLU CA . 11292 1 648 . 1 1 61 61 GLU CB C 13 30.252 0.300 . 1 . . . . 61 GLU CB . 11292 1 649 . 1 1 61 61 GLU CG C 13 37.671 0.300 . 1 . . . . 61 GLU CG . 11292 1 650 . 1 1 61 61 GLU N N 15 124.924 0.300 . 1 . . . . 61 GLU N . 11292 1 651 . 1 1 62 62 GLN H H 1 9.003 0.030 . 1 . . . . 62 GLN H . 11292 1 652 . 1 1 62 62 GLN HA H 1 4.398 0.030 . 1 . . . . 62 GLN HA . 11292 1 653 . 1 1 62 62 GLN HB2 H 1 1.612 0.030 . 2 . . . . 62 GLN HB2 . 11292 1 654 . 1 1 62 62 GLN HB3 H 1 0.778 0.030 . 2 . . . . 62 GLN HB3 . 11292 1 655 . 1 1 62 62 GLN HE21 H 1 7.049 0.030 . 2 . . . . 62 GLN HE21 . 11292 1 656 . 1 1 62 62 GLN HE22 H 1 6.918 0.030 . 2 . . . . 62 GLN HE22 . 11292 1 657 . 1 1 62 62 GLN HG2 H 1 2.083 0.030 . 2 . . . . 62 GLN HG2 . 11292 1 658 . 1 1 62 62 GLN HG3 H 1 2.031 0.030 . 2 . . . . 62 GLN HG3 . 11292 1 659 . 1 1 62 62 GLN C C 13 173.888 0.300 . 1 . . . . 62 GLN C . 11292 1 660 . 1 1 62 62 GLN CA C 13 53.866 0.300 . 1 . . . . 62 GLN CA . 11292 1 661 . 1 1 62 62 GLN CB C 13 30.378 0.300 . 1 . . . . 62 GLN CB . 11292 1 662 . 1 1 62 62 GLN CG C 13 33.879 0.300 . 1 . . . . 62 GLN CG . 11292 1 663 . 1 1 62 62 GLN N N 15 124.854 0.300 . 1 . . . . 62 GLN N . 11292 1 664 . 1 1 62 62 GLN NE2 N 15 112.590 0.300 . 1 . . . . 62 GLN NE2 . 11292 1 665 . 1 1 63 63 ARG H H 1 8.313 0.030 . 1 . . . . 63 ARG H . 11292 1 666 . 1 1 63 63 ARG HA H 1 5.654 0.030 . 1 . . . . 63 ARG HA . 11292 1 667 . 1 1 63 63 ARG HB2 H 1 1.671 0.030 . 2 . . . . 63 ARG HB2 . 11292 1 668 . 1 1 63 63 ARG HB3 H 1 1.566 0.030 . 2 . . . . 63 ARG HB3 . 11292 1 669 . 1 1 63 63 ARG HD2 H 1 3.087 0.030 . 2 . . . . 63 ARG HD2 . 11292 1 670 . 1 1 63 63 ARG HD3 H 1 3.060 0.030 . 2 . . . . 63 ARG HD3 . 11292 1 671 . 1 1 63 63 ARG HE H 1 7.098 0.030 . 1 . . . . 63 ARG HE . 11292 1 672 . 1 1 63 63 ARG HG2 H 1 1.490 0.030 . 2 . . . . 63 ARG HG2 . 11292 1 673 . 1 1 63 63 ARG HG3 H 1 1.374 0.030 . 2 . . . . 63 ARG HG3 . 11292 1 674 . 1 1 63 63 ARG C C 13 176.355 0.300 . 1 . . . . 63 ARG C . 11292 1 675 . 1 1 63 63 ARG CA C 13 54.650 0.300 . 1 . . . . 63 ARG CA . 11292 1 676 . 1 1 63 63 ARG CB C 13 33.452 0.300 . 1 . . . . 63 ARG CB . 11292 1 677 . 1 1 63 63 ARG CD C 13 43.269 0.300 . 1 . . . . 63 ARG CD . 11292 1 678 . 1 1 63 63 ARG CG C 13 28.148 0.300 . 1 . . . . 63 ARG CG . 11292 1 679 . 1 1 63 63 ARG N N 15 120.646 0.300 . 1 . . . . 63 ARG N . 11292 1 680 . 1 1 63 63 ARG NE N 15 84.498 0.300 . 1 . . . . 63 ARG NE . 11292 1 681 . 1 1 64 64 ILE H H 1 9.156 0.030 . 1 . . . . 64 ILE H . 11292 1 682 . 1 1 64 64 ILE HA H 1 4.616 0.030 . 1 . . . . 64 ILE HA . 11292 1 683 . 1 1 64 64 ILE HB H 1 1.812 0.030 . 1 . . . . 64 ILE HB . 11292 1 684 . 1 1 64 64 ILE HD11 H 1 0.953 0.030 . 1 . . . . 64 ILE HD1 . 11292 1 685 . 1 1 64 64 ILE HD12 H 1 0.953 0.030 . 1 . . . . 64 ILE HD1 . 11292 1 686 . 1 1 64 64 ILE HD13 H 1 0.953 0.030 . 1 . . . . 64 ILE HD1 . 11292 1 687 . 1 1 64 64 ILE HG12 H 1 1.520 0.030 . 2 . . . . 64 ILE HG12 . 11292 1 688 . 1 1 64 64 ILE HG13 H 1 1.209 0.030 . 2 . . . . 64 ILE HG13 . 11292 1 689 . 1 1 64 64 ILE HG21 H 1 0.952 0.030 . 1 . . . . 64 ILE HG2 . 11292 1 690 . 1 1 64 64 ILE HG22 H 1 0.952 0.030 . 1 . . . . 64 ILE HG2 . 11292 1 691 . 1 1 64 64 ILE HG23 H 1 0.952 0.030 . 1 . . . . 64 ILE HG2 . 11292 1 692 . 1 1 64 64 ILE C C 13 174.404 0.300 . 1 . . . . 64 ILE C . 11292 1 693 . 1 1 64 64 ILE CA C 13 59.935 0.300 . 1 . . . . 64 ILE CA . 11292 1 694 . 1 1 64 64 ILE CB C 13 42.718 0.300 . 1 . . . . 64 ILE CB . 11292 1 695 . 1 1 64 64 ILE CD1 C 13 14.121 0.300 . 1 . . . . 64 ILE CD1 . 11292 1 696 . 1 1 64 64 ILE CG1 C 13 27.313 0.300 . 1 . . . . 64 ILE CG1 . 11292 1 697 . 1 1 64 64 ILE CG2 C 13 17.688 0.300 . 1 . . . . 64 ILE CG2 . 11292 1 698 . 1 1 64 64 ILE N N 15 122.296 0.300 . 1 . . . . 64 ILE N . 11292 1 699 . 1 1 65 65 THR H H 1 8.527 0.030 . 1 . . . . 65 THR H . 11292 1 700 . 1 1 65 65 THR HA H 1 4.984 0.030 . 1 . . . . 65 THR HA . 11292 1 701 . 1 1 65 65 THR HB H 1 3.960 0.030 . 1 . . . . 65 THR HB . 11292 1 702 . 1 1 65 65 THR HG21 H 1 1.106 0.030 . 1 . . . . 65 THR HG2 . 11292 1 703 . 1 1 65 65 THR HG22 H 1 1.106 0.030 . 1 . . . . 65 THR HG2 . 11292 1 704 . 1 1 65 65 THR HG23 H 1 1.106 0.030 . 1 . . . . 65 THR HG2 . 11292 1 705 . 1 1 65 65 THR CA C 13 62.191 0.300 . 1 . . . . 65 THR CA . 11292 1 706 . 1 1 65 65 THR CB C 13 69.490 0.300 . 1 . . . . 65 THR CB . 11292 1 707 . 1 1 65 65 THR CG2 C 13 21.665 0.300 . 1 . . . . 65 THR CG2 . 11292 1 708 . 1 1 65 65 THR N N 15 121.955 0.300 . 1 . . . . 65 THR N . 11292 1 709 . 1 1 66 66 ILE H H 1 9.092 0.030 . 1 . . . . 66 ILE H . 11292 1 710 . 1 1 66 66 ILE HA H 1 4.392 0.030 . 1 . . . . 66 ILE HA . 11292 1 711 . 1 1 66 66 ILE HB H 1 1.520 0.030 . 1 . . . . 66 ILE HB . 11292 1 712 . 1 1 66 66 ILE HD11 H 1 0.263 0.030 . 1 . . . . 66 ILE HD1 . 11292 1 713 . 1 1 66 66 ILE HD12 H 1 0.263 0.030 . 1 . . . . 66 ILE HD1 . 11292 1 714 . 1 1 66 66 ILE HD13 H 1 0.263 0.030 . 1 . . . . 66 ILE HD1 . 11292 1 715 . 1 1 66 66 ILE HG12 H 1 1.162 0.030 . 2 . . . . 66 ILE HG12 . 11292 1 716 . 1 1 66 66 ILE HG13 H 1 0.218 0.030 . 2 . . . . 66 ILE HG13 . 11292 1 717 . 1 1 66 66 ILE HG21 H 1 0.756 0.030 . 1 . . . . 66 ILE HG2 . 11292 1 718 . 1 1 66 66 ILE HG22 H 1 0.756 0.030 . 1 . . . . 66 ILE HG2 . 11292 1 719 . 1 1 66 66 ILE HG23 H 1 0.756 0.030 . 1 . . . . 66 ILE HG2 . 11292 1 720 . 1 1 66 66 ILE CA C 13 59.760 0.300 . 1 . . . . 66 ILE CA . 11292 1 721 . 1 1 66 66 ILE CB C 13 41.739 0.300 . 1 . . . . 66 ILE CB . 11292 1 722 . 1 1 66 66 ILE CD1 C 13 14.482 0.300 . 1 . . . . 66 ILE CD1 . 11292 1 723 . 1 1 66 66 ILE CG1 C 13 26.828 0.300 . 1 . . . . 66 ILE CG1 . 11292 1 724 . 1 1 66 66 ILE CG2 C 13 16.695 0.300 . 1 . . . . 66 ILE CG2 . 11292 1 725 . 1 1 66 66 ILE N N 15 126.429 0.300 . 1 . . . . 66 ILE N . 11292 1 726 . 1 1 67 67 GLU H H 1 8.784 0.030 . 1 . . . . 67 GLU H . 11292 1 727 . 1 1 67 67 GLU HA H 1 4.555 0.030 . 1 . . . . 67 GLU HA . 11292 1 728 . 1 1 67 67 GLU HB2 H 1 2.285 0.030 . 2 . . . . 67 GLU HB2 . 11292 1 729 . 1 1 67 67 GLU HB3 H 1 2.103 0.030 . 2 . . . . 67 GLU HB3 . 11292 1 730 . 1 1 67 67 GLU HG2 H 1 2.528 0.030 . 1 . . . . 67 GLU HG2 . 11292 1 731 . 1 1 67 67 GLU HG3 H 1 2.528 0.030 . 1 . . . . 67 GLU HG3 . 11292 1 732 . 1 1 67 67 GLU CA C 13 55.645 0.300 . 1 . . . . 67 GLU CA . 11292 1 733 . 1 1 67 67 GLU CB C 13 28.433 0.300 . 1 . . . . 67 GLU CB . 11292 1 734 . 1 1 67 67 GLU CG C 13 36.465 0.300 . 1 . . . . 67 GLU CG . 11292 1 735 . 1 1 67 67 GLU N N 15 124.967 0.300 . 1 . . . . 67 GLU N . 11292 1 736 . 1 1 68 68 PRO HA H 1 4.568 0.030 . 1 . . . . 68 PRO HA . 11292 1 737 . 1 1 68 68 PRO HB2 H 1 2.203 0.030 . 2 . . . . 68 PRO HB2 . 11292 1 738 . 1 1 68 68 PRO HB3 H 1 2.143 0.030 . 2 . . . . 68 PRO HB3 . 11292 1 739 . 1 1 68 68 PRO HD2 H 1 4.057 0.030 . 2 . . . . 68 PRO HD2 . 11292 1 740 . 1 1 68 68 PRO HD3 H 1 3.790 0.030 . 2 . . . . 68 PRO HD3 . 11292 1 741 . 1 1 68 68 PRO HG2 H 1 2.213 0.030 . 2 . . . . 68 PRO HG2 . 11292 1 742 . 1 1 68 68 PRO HG3 H 1 1.728 0.030 . 2 . . . . 68 PRO HG3 . 11292 1 743 . 1 1 68 68 PRO C C 13 175.760 0.300 . 1 . . . . 68 PRO C . 11292 1 744 . 1 1 68 68 PRO CA C 13 64.693 0.300 . 1 . . . . 68 PRO CA . 11292 1 745 . 1 1 68 68 PRO CB C 13 31.451 0.300 . 1 . . . . 68 PRO CB . 11292 1 746 . 1 1 68 68 PRO CD C 13 50.283 0.300 . 1 . . . . 68 PRO CD . 11292 1 747 . 1 1 68 68 PRO CG C 13 29.065 0.300 . 1 . . . . 68 PRO CG . 11292 1 748 . 1 1 69 69 GLY H H 1 7.768 0.030 . 1 . . . . 69 GLY H . 11292 1 749 . 1 1 69 69 GLY HA2 H 1 4.402 0.030 . 2 . . . . 69 GLY HA2 . 11292 1 750 . 1 1 69 69 GLY HA3 H 1 4.187 0.030 . 2 . . . . 69 GLY HA3 . 11292 1 751 . 1 1 69 69 GLY C C 13 172.412 0.300 . 1 . . . . 69 GLY C . 11292 1 752 . 1 1 69 69 GLY CA C 13 45.027 0.300 . 1 . . . . 69 GLY CA . 11292 1 753 . 1 1 69 69 GLY N N 15 111.483 0.300 . 1 . . . . 69 GLY N . 11292 1 754 . 1 1 70 70 THR H H 1 8.189 0.030 . 1 . . . . 70 THR H . 11292 1 755 . 1 1 70 70 THR HA H 1 3.288 0.030 . 1 . . . . 70 THR HA . 11292 1 756 . 1 1 70 70 THR HB H 1 4.469 0.030 . 1 . . . . 70 THR HB . 11292 1 757 . 1 1 70 70 THR HG21 H 1 1.014 0.030 . 1 . . . . 70 THR HG2 . 11292 1 758 . 1 1 70 70 THR HG22 H 1 1.014 0.030 . 1 . . . . 70 THR HG2 . 11292 1 759 . 1 1 70 70 THR HG23 H 1 1.014 0.030 . 1 . . . . 70 THR HG2 . 11292 1 760 . 1 1 70 70 THR C C 13 172.304 0.300 . 1 . . . . 70 THR C . 11292 1 761 . 1 1 70 70 THR CA C 13 60.143 0.300 . 1 . . . . 70 THR CA . 11292 1 762 . 1 1 70 70 THR CB C 13 69.590 0.300 . 1 . . . . 70 THR CB . 11292 1 763 . 1 1 70 70 THR CG2 C 13 21.679 0.300 . 1 . . . . 70 THR CG2 . 11292 1 764 . 1 1 70 70 THR N N 15 106.445 0.300 . 1 . . . . 70 THR N . 11292 1 765 . 1 1 71 71 SER H H 1 6.818 0.030 . 1 . . . . 71 SER H . 11292 1 766 . 1 1 71 71 SER HA H 1 4.402 0.030 . 1 . . . . 71 SER HA . 11292 1 767 . 1 1 71 71 SER HB2 H 1 3.664 0.030 . 2 . . . . 71 SER HB2 . 11292 1 768 . 1 1 71 71 SER HB3 H 1 3.595 0.030 . 2 . . . . 71 SER HB3 . 11292 1 769 . 1 1 71 71 SER C C 13 173.384 0.300 . 1 . . . . 71 SER C . 11292 1 770 . 1 1 71 71 SER CA C 13 57.164 0.300 . 1 . . . . 71 SER CA . 11292 1 771 . 1 1 71 71 SER CB C 13 65.834 0.300 . 1 . . . . 71 SER CB . 11292 1 772 . 1 1 71 71 SER N N 15 112.085 0.300 . 1 . . . . 71 SER N . 11292 1 773 . 1 1 72 72 TYR H H 1 8.910 0.030 . 1 . . . . 72 TYR H . 11292 1 774 . 1 1 72 72 TYR HA H 1 4.506 0.030 . 1 . . . . 72 TYR HA . 11292 1 775 . 1 1 72 72 TYR HB2 H 1 3.487 0.030 . 2 . . . . 72 TYR HB2 . 11292 1 776 . 1 1 72 72 TYR HB3 H 1 2.613 0.030 . 2 . . . . 72 TYR HB3 . 11292 1 777 . 1 1 72 72 TYR HD1 H 1 7.010 0.030 . 1 . . . . 72 TYR HD1 . 11292 1 778 . 1 1 72 72 TYR HD2 H 1 7.010 0.030 . 1 . . . . 72 TYR HD2 . 11292 1 779 . 1 1 72 72 TYR HE1 H 1 6.760 0.030 . 1 . . . . 72 TYR HE1 . 11292 1 780 . 1 1 72 72 TYR HE2 H 1 6.760 0.030 . 1 . . . . 72 TYR HE2 . 11292 1 781 . 1 1 72 72 TYR C C 13 172.398 0.300 . 1 . . . . 72 TYR C . 11292 1 782 . 1 1 72 72 TYR CA C 13 59.257 0.300 . 1 . . . . 72 TYR CA . 11292 1 783 . 1 1 72 72 TYR CB C 13 42.675 0.300 . 1 . . . . 72 TYR CB . 11292 1 784 . 1 1 72 72 TYR CD1 C 13 132.516 0.300 . 1 . . . . 72 TYR CD1 . 11292 1 785 . 1 1 72 72 TYR CD2 C 13 132.516 0.300 . 1 . . . . 72 TYR CD2 . 11292 1 786 . 1 1 72 72 TYR CE1 C 13 118.621 0.300 . 1 . . . . 72 TYR CE1 . 11292 1 787 . 1 1 72 72 TYR CE2 C 13 118.621 0.300 . 1 . . . . 72 TYR CE2 . 11292 1 788 . 1 1 72 72 TYR N N 15 119.412 0.300 . 1 . . . . 72 TYR N . 11292 1 789 . 1 1 73 73 ARG H H 1 7.711 0.030 . 1 . . . . 73 ARG H . 11292 1 790 . 1 1 73 73 ARG HA H 1 4.446 0.030 . 1 . . . . 73 ARG HA . 11292 1 791 . 1 1 73 73 ARG HB2 H 1 1.431 0.030 . 2 . . . . 73 ARG HB2 . 11292 1 792 . 1 1 73 73 ARG HB3 H 1 1.324 0.030 . 2 . . . . 73 ARG HB3 . 11292 1 793 . 1 1 73 73 ARG HD2 H 1 2.992 0.030 . 1 . . . . 73 ARG HD2 . 11292 1 794 . 1 1 73 73 ARG HD3 H 1 2.992 0.030 . 1 . . . . 73 ARG HD3 . 11292 1 795 . 1 1 73 73 ARG HE H 1 8.833 0.030 . 1 . . . . 73 ARG HE . 11292 1 796 . 1 1 73 73 ARG HG2 H 1 1.208 0.030 . 2 . . . . 73 ARG HG2 . 11292 1 797 . 1 1 73 73 ARG HG3 H 1 1.000 0.030 . 2 . . . . 73 ARG HG3 . 11292 1 798 . 1 1 73 73 ARG C C 13 172.599 0.300 . 1 . . . . 73 ARG C . 11292 1 799 . 1 1 73 73 ARG CA C 13 54.886 0.300 . 1 . . . . 73 ARG CA . 11292 1 800 . 1 1 73 73 ARG CB C 13 30.940 0.300 . 1 . . . . 73 ARG CB . 11292 1 801 . 1 1 73 73 ARG CD C 13 43.029 0.300 . 1 . . . . 73 ARG CD . 11292 1 802 . 1 1 73 73 ARG CG C 13 28.515 0.300 . 1 . . . . 73 ARG CG . 11292 1 803 . 1 1 73 73 ARG N N 15 129.213 0.300 . 1 . . . . 73 ARG N . 11292 1 804 . 1 1 73 73 ARG NE N 15 87.347 0.300 . 1 . . . . 73 ARG NE . 11292 1 805 . 1 1 74 74 LEU H H 1 8.533 0.030 . 1 . . . . 74 LEU H . 11292 1 806 . 1 1 74 74 LEU HA H 1 4.350 0.030 . 1 . . . . 74 LEU HA . 11292 1 807 . 1 1 74 74 LEU HB2 H 1 1.730 0.030 . 2 . . . . 74 LEU HB2 . 11292 1 808 . 1 1 74 74 LEU HB3 H 1 0.972 0.030 . 2 . . . . 74 LEU HB3 . 11292 1 809 . 1 1 74 74 LEU HD11 H 1 0.776 0.030 . 1 . . . . 74 LEU HD1 . 11292 1 810 . 1 1 74 74 LEU HD12 H 1 0.776 0.030 . 1 . . . . 74 LEU HD1 . 11292 1 811 . 1 1 74 74 LEU HD13 H 1 0.776 0.030 . 1 . . . . 74 LEU HD1 . 11292 1 812 . 1 1 74 74 LEU HD21 H 1 0.256 0.030 . 1 . . . . 74 LEU HD2 . 11292 1 813 . 1 1 74 74 LEU HD22 H 1 0.256 0.030 . 1 . . . . 74 LEU HD2 . 11292 1 814 . 1 1 74 74 LEU HD23 H 1 0.256 0.030 . 1 . . . . 74 LEU HD2 . 11292 1 815 . 1 1 74 74 LEU HG H 1 1.210 0.030 . 1 . . . . 74 LEU HG . 11292 1 816 . 1 1 74 74 LEU C C 13 174.196 0.300 . 1 . . . . 74 LEU C . 11292 1 817 . 1 1 74 74 LEU CA C 13 54.024 0.300 . 1 . . . . 74 LEU CA . 11292 1 818 . 1 1 74 74 LEU CB C 13 43.239 0.300 . 1 . . . . 74 LEU CB . 11292 1 819 . 1 1 74 74 LEU CD1 C 13 23.359 0.300 . 2 . . . . 74 LEU CD1 . 11292 1 820 . 1 1 74 74 LEU CD2 C 13 27.305 0.300 . 2 . . . . 74 LEU CD2 . 11292 1 821 . 1 1 74 74 LEU CG C 13 26.665 0.300 . 1 . . . . 74 LEU CG . 11292 1 822 . 1 1 74 74 LEU N N 15 129.894 0.300 . 1 . . . . 74 LEU N . 11292 1 823 . 1 1 75 75 GLN H H 1 8.170 0.030 . 1 . . . . 75 GLN H . 11292 1 824 . 1 1 75 75 GLN HA H 1 4.960 0.030 . 1 . . . . 75 GLN HA . 11292 1 825 . 1 1 75 75 GLN HB2 H 1 2.082 0.030 . 2 . . . . 75 GLN HB2 . 11292 1 826 . 1 1 75 75 GLN HB3 H 1 1.874 0.030 . 2 . . . . 75 GLN HB3 . 11292 1 827 . 1 1 75 75 GLN HE21 H 1 7.472 0.030 . 2 . . . . 75 GLN HE21 . 11292 1 828 . 1 1 75 75 GLN HE22 H 1 6.834 0.030 . 2 . . . . 75 GLN HE22 . 11292 1 829 . 1 1 75 75 GLN HG2 H 1 2.081 0.030 . 1 . . . . 75 GLN HG2 . 11292 1 830 . 1 1 75 75 GLN HG3 H 1 2.081 0.030 . 1 . . . . 75 GLN HG3 . 11292 1 831 . 1 1 75 75 GLN C C 13 175.535 0.300 . 1 . . . . 75 GLN C . 11292 1 832 . 1 1 75 75 GLN CA C 13 53.935 0.300 . 1 . . . . 75 GLN CA . 11292 1 833 . 1 1 75 75 GLN CB C 13 31.795 0.300 . 1 . . . . 75 GLN CB . 11292 1 834 . 1 1 75 75 GLN CG C 13 34.282 0.300 . 1 . . . . 75 GLN CG . 11292 1 835 . 1 1 75 75 GLN N N 15 123.719 0.300 . 1 . . . . 75 GLN N . 11292 1 836 . 1 1 75 75 GLN NE2 N 15 112.174 0.300 . 1 . . . . 75 GLN NE2 . 11292 1 837 . 1 1 76 76 GLY H H 1 8.568 0.030 . 1 . . . . 76 GLY H . 11292 1 838 . 1 1 76 76 GLY HA2 H 1 3.966 0.030 . 2 . . . . 76 GLY HA2 . 11292 1 839 . 1 1 76 76 GLY HA3 H 1 3.841 0.030 . 2 . . . . 76 GLY HA3 . 11292 1 840 . 1 1 76 76 GLY C C 13 175.376 0.300 . 1 . . . . 76 GLY C . 11292 1 841 . 1 1 76 76 GLY CA C 13 46.161 0.300 . 1 . . . . 76 GLY CA . 11292 1 842 . 1 1 76 76 GLY N N 15 106.820 0.300 . 1 . . . . 76 GLY N . 11292 1 843 . 1 1 77 77 LEU H H 1 8.401 0.030 . 1 . . . . 77 LEU H . 11292 1 844 . 1 1 77 77 LEU HA H 1 4.315 0.030 . 1 . . . . 77 LEU HA . 11292 1 845 . 1 1 77 77 LEU HB2 H 1 1.411 0.030 . 2 . . . . 77 LEU HB2 . 11292 1 846 . 1 1 77 77 LEU HB3 H 1 1.062 0.030 . 2 . . . . 77 LEU HB3 . 11292 1 847 . 1 1 77 77 LEU HD11 H 1 0.016 0.030 . 1 . . . . 77 LEU HD1 . 11292 1 848 . 1 1 77 77 LEU HD12 H 1 0.016 0.030 . 1 . . . . 77 LEU HD1 . 11292 1 849 . 1 1 77 77 LEU HD13 H 1 0.016 0.030 . 1 . . . . 77 LEU HD1 . 11292 1 850 . 1 1 77 77 LEU HD21 H 1 0.122 0.030 . 1 . . . . 77 LEU HD2 . 11292 1 851 . 1 1 77 77 LEU HD22 H 1 0.122 0.030 . 1 . . . . 77 LEU HD2 . 11292 1 852 . 1 1 77 77 LEU HD23 H 1 0.122 0.030 . 1 . . . . 77 LEU HD2 . 11292 1 853 . 1 1 77 77 LEU HG H 1 1.067 0.030 . 1 . . . . 77 LEU HG . 11292 1 854 . 1 1 77 77 LEU C C 13 175.254 0.300 . 1 . . . . 77 LEU C . 11292 1 855 . 1 1 77 77 LEU CA C 13 53.204 0.300 . 1 . . . . 77 LEU CA . 11292 1 856 . 1 1 77 77 LEU CB C 13 41.332 0.300 . 1 . . . . 77 LEU CB . 11292 1 857 . 1 1 77 77 LEU CD1 C 13 24.928 0.300 . 2 . . . . 77 LEU CD1 . 11292 1 858 . 1 1 77 77 LEU CD2 C 13 18.828 0.300 . 2 . . . . 77 LEU CD2 . 11292 1 859 . 1 1 77 77 LEU CG C 13 26.072 0.300 . 1 . . . . 77 LEU CG . 11292 1 860 . 1 1 77 77 LEU N N 15 119.281 0.300 . 1 . . . . 77 LEU N . 11292 1 861 . 1 1 78 78 LYS H H 1 8.216 0.030 . 1 . . . . 78 LYS H . 11292 1 862 . 1 1 78 78 LYS HA H 1 4.763 0.030 . 1 . . . . 78 LYS HA . 11292 1 863 . 1 1 78 78 LYS HB2 H 1 1.835 0.030 . 1 . . . . 78 LYS HB2 . 11292 1 864 . 1 1 78 78 LYS HB3 H 1 1.835 0.030 . 1 . . . . 78 LYS HB3 . 11292 1 865 . 1 1 78 78 LYS HD2 H 1 1.743 0.030 . 1 . . . . 78 LYS HD2 . 11292 1 866 . 1 1 78 78 LYS HD3 H 1 1.743 0.030 . 1 . . . . 78 LYS HD3 . 11292 1 867 . 1 1 78 78 LYS HE2 H 1 3.011 0.030 . 1 . . . . 78 LYS HE2 . 11292 1 868 . 1 1 78 78 LYS HE3 H 1 3.011 0.030 . 1 . . . . 78 LYS HE3 . 11292 1 869 . 1 1 78 78 LYS HG2 H 1 1.629 0.030 . 2 . . . . 78 LYS HG2 . 11292 1 870 . 1 1 78 78 LYS HG3 H 1 1.548 0.030 . 2 . . . . 78 LYS HG3 . 11292 1 871 . 1 1 78 78 LYS C C 13 175.084 0.300 . 1 . . . . 78 LYS C . 11292 1 872 . 1 1 78 78 LYS CA C 13 53.986 0.300 . 1 . . . . 78 LYS CA . 11292 1 873 . 1 1 78 78 LYS CB C 13 33.504 0.300 . 1 . . . . 78 LYS CB . 11292 1 874 . 1 1 78 78 LYS CD C 13 29.277 0.300 . 1 . . . . 78 LYS CD . 11292 1 875 . 1 1 78 78 LYS CE C 13 41.963 0.300 . 1 . . . . 78 LYS CE . 11292 1 876 . 1 1 78 78 LYS CG C 13 24.918 0.300 . 1 . . . . 78 LYS CG . 11292 1 877 . 1 1 78 78 LYS N N 15 119.545 0.300 . 1 . . . . 78 LYS N . 11292 1 878 . 1 1 79 79 PRO HA H 1 5.393 0.030 . 1 . . . . 79 PRO HA . 11292 1 879 . 1 1 79 79 PRO HB2 H 1 2.441 0.030 . 2 . . . . 79 PRO HB2 . 11292 1 880 . 1 1 79 79 PRO HB3 H 1 1.914 0.030 . 2 . . . . 79 PRO HB3 . 11292 1 881 . 1 1 79 79 PRO HD2 H 1 3.930 0.030 . 2 . . . . 79 PRO HD2 . 11292 1 882 . 1 1 79 79 PRO HD3 H 1 3.626 0.030 . 2 . . . . 79 PRO HD3 . 11292 1 883 . 1 1 79 79 PRO HG2 H 1 2.061 0.030 . 2 . . . . 79 PRO HG2 . 11292 1 884 . 1 1 79 79 PRO HG3 H 1 1.901 0.030 . 2 . . . . 79 PRO HG3 . 11292 1 885 . 1 1 79 79 PRO C C 13 178.137 0.300 . 1 . . . . 79 PRO C . 11292 1 886 . 1 1 79 79 PRO CA C 13 62.898 0.300 . 1 . . . . 79 PRO CA . 11292 1 887 . 1 1 79 79 PRO CB C 13 33.303 0.300 . 1 . . . . 79 PRO CB . 11292 1 888 . 1 1 79 79 PRO CD C 13 51.165 0.300 . 1 . . . . 79 PRO CD . 11292 1 889 . 1 1 79 79 PRO CG C 13 27.478 0.300 . 1 . . . . 79 PRO CG . 11292 1 890 . 1 1 80 80 ASN H H 1 7.991 0.030 . 1 . . . . 80 ASN H . 11292 1 891 . 1 1 80 80 ASN HA H 1 4.261 0.030 . 1 . . . . 80 ASN HA . 11292 1 892 . 1 1 80 80 ASN HB2 H 1 3.202 0.030 . 2 . . . . 80 ASN HB2 . 11292 1 893 . 1 1 80 80 ASN HB3 H 1 2.277 0.030 . 2 . . . . 80 ASN HB3 . 11292 1 894 . 1 1 80 80 ASN HD21 H 1 7.624 0.030 . 2 . . . . 80 ASN HD21 . 11292 1 895 . 1 1 80 80 ASN HD22 H 1 6.839 0.030 . 2 . . . . 80 ASN HD22 . 11292 1 896 . 1 1 80 80 ASN C C 13 174.816 0.300 . 1 . . . . 80 ASN C . 11292 1 897 . 1 1 80 80 ASN CA C 13 53.208 0.300 . 1 . . . . 80 ASN CA . 11292 1 898 . 1 1 80 80 ASN CB C 13 39.007 0.300 . 1 . . . . 80 ASN CB . 11292 1 899 . 1 1 80 80 ASN N N 15 123.070 0.300 . 1 . . . . 80 ASN N . 11292 1 900 . 1 1 80 80 ASN ND2 N 15 110.795 0.300 . 1 . . . . 80 ASN ND2 . 11292 1 901 . 1 1 81 81 SER H H 1 8.397 0.030 . 1 . . . . 81 SER H . 11292 1 902 . 1 1 81 81 SER HA H 1 4.763 0.030 . 1 . . . . 81 SER HA . 11292 1 903 . 1 1 81 81 SER HB2 H 1 3.757 0.030 . 2 . . . . 81 SER HB2 . 11292 1 904 . 1 1 81 81 SER HB3 H 1 3.433 0.030 . 2 . . . . 81 SER HB3 . 11292 1 905 . 1 1 81 81 SER C C 13 170.770 0.300 . 1 . . . . 81 SER C . 11292 1 906 . 1 1 81 81 SER CA C 13 59.206 0.300 . 1 . . . . 81 SER CA . 11292 1 907 . 1 1 81 81 SER CB C 13 66.184 0.300 . 1 . . . . 81 SER CB . 11292 1 908 . 1 1 81 81 SER N N 15 114.243 0.300 . 1 . . . . 81 SER N . 11292 1 909 . 1 1 82 82 LEU H H 1 8.134 0.030 . 1 . . . . 82 LEU H . 11292 1 910 . 1 1 82 82 LEU HA H 1 4.430 0.030 . 1 . . . . 82 LEU HA . 11292 1 911 . 1 1 82 82 LEU HB2 H 1 1.728 0.030 . 2 . . . . 82 LEU HB2 . 11292 1 912 . 1 1 82 82 LEU HB3 H 1 1.170 0.030 . 2 . . . . 82 LEU HB3 . 11292 1 913 . 1 1 82 82 LEU HD11 H 1 0.804 0.030 . 1 . . . . 82 LEU HD1 . 11292 1 914 . 1 1 82 82 LEU HD12 H 1 0.804 0.030 . 1 . . . . 82 LEU HD1 . 11292 1 915 . 1 1 82 82 LEU HD13 H 1 0.804 0.030 . 1 . . . . 82 LEU HD1 . 11292 1 916 . 1 1 82 82 LEU HD21 H 1 0.639 0.030 . 1 . . . . 82 LEU HD2 . 11292 1 917 . 1 1 82 82 LEU HD22 H 1 0.639 0.030 . 1 . . . . 82 LEU HD2 . 11292 1 918 . 1 1 82 82 LEU HD23 H 1 0.639 0.030 . 1 . . . . 82 LEU HD2 . 11292 1 919 . 1 1 82 82 LEU HG H 1 1.045 0.030 . 1 . . . . 82 LEU HG . 11292 1 920 . 1 1 82 82 LEU C C 13 174.487 0.300 . 1 . . . . 82 LEU C . 11292 1 921 . 1 1 82 82 LEU CA C 13 54.461 0.300 . 1 . . . . 82 LEU CA . 11292 1 922 . 1 1 82 82 LEU CB C 13 44.155 0.300 . 1 . . . . 82 LEU CB . 11292 1 923 . 1 1 82 82 LEU CD1 C 13 26.548 0.300 . 2 . . . . 82 LEU CD1 . 11292 1 924 . 1 1 82 82 LEU CD2 C 13 23.639 0.300 . 2 . . . . 82 LEU CD2 . 11292 1 925 . 1 1 82 82 LEU CG C 13 26.998 0.300 . 1 . . . . 82 LEU CG . 11292 1 926 . 1 1 82 82 LEU N N 15 126.291 0.300 . 1 . . . . 82 LEU N . 11292 1 927 . 1 1 83 83 TYR H H 1 8.800 0.030 . 1 . . . . 83 TYR H . 11292 1 928 . 1 1 83 83 TYR HA H 1 5.150 0.030 . 1 . . . . 83 TYR HA . 11292 1 929 . 1 1 83 83 TYR HB2 H 1 2.495 0.030 . 2 . . . . 83 TYR HB2 . 11292 1 930 . 1 1 83 83 TYR HB3 H 1 2.210 0.030 . 2 . . . . 83 TYR HB3 . 11292 1 931 . 1 1 83 83 TYR HD1 H 1 7.000 0.030 . 1 . . . . 83 TYR HD1 . 11292 1 932 . 1 1 83 83 TYR HD2 H 1 7.000 0.030 . 1 . . . . 83 TYR HD2 . 11292 1 933 . 1 1 83 83 TYR HE1 H 1 6.887 0.030 . 1 . . . . 83 TYR HE1 . 11292 1 934 . 1 1 83 83 TYR HE2 H 1 6.887 0.030 . 1 . . . . 83 TYR HE2 . 11292 1 935 . 1 1 83 83 TYR C C 13 173.650 0.300 . 1 . . . . 83 TYR C . 11292 1 936 . 1 1 83 83 TYR CA C 13 57.049 0.300 . 1 . . . . 83 TYR CA . 11292 1 937 . 1 1 83 83 TYR CB C 13 43.992 0.300 . 1 . . . . 83 TYR CB . 11292 1 938 . 1 1 83 83 TYR CD1 C 13 133.169 0.300 . 1 . . . . 83 TYR CD1 . 11292 1 939 . 1 1 83 83 TYR CD2 C 13 133.169 0.300 . 1 . . . . 83 TYR CD2 . 11292 1 940 . 1 1 83 83 TYR CE1 C 13 118.246 0.300 . 1 . . . . 83 TYR CE1 . 11292 1 941 . 1 1 83 83 TYR CE2 C 13 118.246 0.300 . 1 . . . . 83 TYR CE2 . 11292 1 942 . 1 1 83 83 TYR N N 15 125.727 0.300 . 1 . . . . 83 TYR N . 11292 1 943 . 1 1 84 84 TYR H H 1 8.306 0.030 . 1 . . . . 84 TYR H . 11292 1 944 . 1 1 84 84 TYR HA H 1 5.087 0.030 . 1 . . . . 84 TYR HA . 11292 1 945 . 1 1 84 84 TYR HB2 H 1 2.746 0.030 . 2 . . . . 84 TYR HB2 . 11292 1 946 . 1 1 84 84 TYR HB3 H 1 2.450 0.030 . 2 . . . . 84 TYR HB3 . 11292 1 947 . 1 1 84 84 TYR HD1 H 1 6.742 0.030 . 1 . . . . 84 TYR HD1 . 11292 1 948 . 1 1 84 84 TYR HD2 H 1 6.742 0.030 . 1 . . . . 84 TYR HD2 . 11292 1 949 . 1 1 84 84 TYR HE1 H 1 6.527 0.030 . 1 . . . . 84 TYR HE1 . 11292 1 950 . 1 1 84 84 TYR HE2 H 1 6.527 0.030 . 1 . . . . 84 TYR HE2 . 11292 1 951 . 1 1 84 84 TYR C C 13 176.178 0.300 . 1 . . . . 84 TYR C . 11292 1 952 . 1 1 84 84 TYR CA C 13 56.355 0.300 . 1 . . . . 84 TYR CA . 11292 1 953 . 1 1 84 84 TYR CB C 13 41.992 0.300 . 1 . . . . 84 TYR CB . 11292 1 954 . 1 1 84 84 TYR CD1 C 13 132.984 0.300 . 1 . . . . 84 TYR CD1 . 11292 1 955 . 1 1 84 84 TYR CD2 C 13 132.984 0.300 . 1 . . . . 84 TYR CD2 . 11292 1 956 . 1 1 84 84 TYR CE1 C 13 117.551 0.300 . 1 . . . . 84 TYR CE1 . 11292 1 957 . 1 1 84 84 TYR CE2 C 13 117.551 0.300 . 1 . . . . 84 TYR CE2 . 11292 1 958 . 1 1 84 84 TYR N N 15 117.568 0.300 . 1 . . . . 84 TYR N . 11292 1 959 . 1 1 85 85 PHE H H 1 9.236 0.030 . 1 . . . . 85 PHE H . 11292 1 960 . 1 1 85 85 PHE HA H 1 5.889 0.030 . 1 . . . . 85 PHE HA . 11292 1 961 . 1 1 85 85 PHE HB2 H 1 3.207 0.030 . 2 . . . . 85 PHE HB2 . 11292 1 962 . 1 1 85 85 PHE HB3 H 1 2.771 0.030 . 2 . . . . 85 PHE HB3 . 11292 1 963 . 1 1 85 85 PHE HD1 H 1 7.032 0.030 . 1 . . . . 85 PHE HD1 . 11292 1 964 . 1 1 85 85 PHE HD2 H 1 7.032 0.030 . 1 . . . . 85 PHE HD2 . 11292 1 965 . 1 1 85 85 PHE HE1 H 1 6.902 0.030 . 1 . . . . 85 PHE HE1 . 11292 1 966 . 1 1 85 85 PHE HE2 H 1 6.902 0.030 . 1 . . . . 85 PHE HE2 . 11292 1 967 . 1 1 85 85 PHE HZ H 1 6.763 0.030 . 1 . . . . 85 PHE HZ . 11292 1 968 . 1 1 85 85 PHE C C 13 175.590 0.300 . 1 . . . . 85 PHE C . 11292 1 969 . 1 1 85 85 PHE CA C 13 57.234 0.300 . 1 . . . . 85 PHE CA . 11292 1 970 . 1 1 85 85 PHE CB C 13 45.041 0.300 . 1 . . . . 85 PHE CB . 11292 1 971 . 1 1 85 85 PHE CD1 C 13 132.567 0.300 . 1 . . . . 85 PHE CD1 . 11292 1 972 . 1 1 85 85 PHE CD2 C 13 132.567 0.300 . 1 . . . . 85 PHE CD2 . 11292 1 973 . 1 1 85 85 PHE CE1 C 13 130.447 0.300 . 1 . . . . 85 PHE CE1 . 11292 1 974 . 1 1 85 85 PHE CE2 C 13 130.447 0.300 . 1 . . . . 85 PHE CE2 . 11292 1 975 . 1 1 85 85 PHE CZ C 13 128.905 0.300 . 1 . . . . 85 PHE CZ . 11292 1 976 . 1 1 85 85 PHE N N 15 116.135 0.300 . 1 . . . . 85 PHE N . 11292 1 977 . 1 1 86 86 ARG H H 1 9.189 0.030 . 1 . . . . 86 ARG H . 11292 1 978 . 1 1 86 86 ARG HA H 1 4.524 0.030 . 1 . . . . 86 ARG HA . 11292 1 979 . 1 1 86 86 ARG HB2 H 1 1.744 0.030 . 2 . . . . 86 ARG HB2 . 11292 1 980 . 1 1 86 86 ARG HB3 H 1 1.687 0.030 . 2 . . . . 86 ARG HB3 . 11292 1 981 . 1 1 86 86 ARG HD2 H 1 3.232 0.030 . 2 . . . . 86 ARG HD2 . 11292 1 982 . 1 1 86 86 ARG HD3 H 1 3.153 0.030 . 2 . . . . 86 ARG HD3 . 11292 1 983 . 1 1 86 86 ARG HE H 1 7.398 0.030 . 1 . . . . 86 ARG HE . 11292 1 984 . 1 1 86 86 ARG HG2 H 1 1.647 0.030 . 2 . . . . 86 ARG HG2 . 11292 1 985 . 1 1 86 86 ARG HG3 H 1 1.623 0.030 . 2 . . . . 86 ARG HG3 . 11292 1 986 . 1 1 86 86 ARG C C 13 172.936 0.300 . 1 . . . . 86 ARG C . 11292 1 987 . 1 1 86 86 ARG CA C 13 56.670 0.300 . 1 . . . . 86 ARG CA . 11292 1 988 . 1 1 86 86 ARG CB C 13 34.936 0.300 . 1 . . . . 86 ARG CB . 11292 1 989 . 1 1 86 86 ARG CD C 13 43.842 0.300 . 1 . . . . 86 ARG CD . 11292 1 990 . 1 1 86 86 ARG CG C 13 28.027 0.300 . 1 . . . . 86 ARG CG . 11292 1 991 . 1 1 86 86 ARG N N 15 117.125 0.300 . 1 . . . . 86 ARG N . 11292 1 992 . 1 1 86 86 ARG NE N 15 84.529 0.300 . 1 . . . . 86 ARG NE . 11292 1 993 . 1 1 87 87 LEU H H 1 7.864 0.030 . 1 . . . . 87 LEU H . 11292 1 994 . 1 1 87 87 LEU HA H 1 5.002 0.030 . 1 . . . . 87 LEU HA . 11292 1 995 . 1 1 87 87 LEU HB2 H 1 0.514 0.030 . 2 . . . . 87 LEU HB2 . 11292 1 996 . 1 1 87 87 LEU HB3 H 1 0.097 0.030 . 2 . . . . 87 LEU HB3 . 11292 1 997 . 1 1 87 87 LEU HD11 H 1 0.073 0.030 . 1 . . . . 87 LEU HD1 . 11292 1 998 . 1 1 87 87 LEU HD12 H 1 0.073 0.030 . 1 . . . . 87 LEU HD1 . 11292 1 999 . 1 1 87 87 LEU HD13 H 1 0.073 0.030 . 1 . . . . 87 LEU HD1 . 11292 1 1000 . 1 1 87 87 LEU HD21 H 1 -1.220 0.030 . 1 . . . . 87 LEU HD2 . 11292 1 1001 . 1 1 87 87 LEU HD22 H 1 -1.220 0.030 . 1 . . . . 87 LEU HD2 . 11292 1 1002 . 1 1 87 87 LEU HD23 H 1 -1.220 0.030 . 1 . . . . 87 LEU HD2 . 11292 1 1003 . 1 1 87 87 LEU HG H 1 0.697 0.030 . 1 . . . . 87 LEU HG . 11292 1 1004 . 1 1 87 87 LEU C C 13 173.828 0.300 . 1 . . . . 87 LEU C . 11292 1 1005 . 1 1 87 87 LEU CA C 13 53.505 0.300 . 1 . . . . 87 LEU CA . 11292 1 1006 . 1 1 87 87 LEU CB C 13 47.015 0.300 . 1 . . . . 87 LEU CB . 11292 1 1007 . 1 1 87 87 LEU CD1 C 13 23.493 0.300 . 2 . . . . 87 LEU CD1 . 11292 1 1008 . 1 1 87 87 LEU CD2 C 13 24.843 0.300 . 2 . . . . 87 LEU CD2 . 11292 1 1009 . 1 1 87 87 LEU CG C 13 26.318 0.300 . 1 . . . . 87 LEU CG . 11292 1 1010 . 1 1 87 87 LEU N N 15 124.719 0.300 . 1 . . . . 87 LEU N . 11292 1 1011 . 1 1 88 88 ALA H H 1 8.240 0.030 . 1 . . . . 88 ALA H . 11292 1 1012 . 1 1 88 88 ALA HA H 1 4.515 0.030 . 1 . . . . 88 ALA HA . 11292 1 1013 . 1 1 88 88 ALA HB1 H 1 1.184 0.030 . 1 . . . . 88 ALA HB . 11292 1 1014 . 1 1 88 88 ALA HB2 H 1 1.184 0.030 . 1 . . . . 88 ALA HB . 11292 1 1015 . 1 1 88 88 ALA HB3 H 1 1.184 0.030 . 1 . . . . 88 ALA HB . 11292 1 1016 . 1 1 88 88 ALA C C 13 174.722 0.300 . 1 . . . . 88 ALA C . 11292 1 1017 . 1 1 88 88 ALA CA C 13 51.256 0.300 . 1 . . . . 88 ALA CA . 11292 1 1018 . 1 1 88 88 ALA CB C 13 23.520 0.300 . 1 . . . . 88 ALA CB . 11292 1 1019 . 1 1 88 88 ALA N N 15 126.350 0.300 . 1 . . . . 88 ALA N . 11292 1 1020 . 1 1 89 89 ALA H H 1 9.785 0.030 . 1 . . . . 89 ALA H . 11292 1 1021 . 1 1 89 89 ALA HA H 1 4.303 0.030 . 1 . . . . 89 ALA HA . 11292 1 1022 . 1 1 89 89 ALA HB1 H 1 1.030 0.030 . 1 . . . . 89 ALA HB . 11292 1 1023 . 1 1 89 89 ALA HB2 H 1 1.030 0.030 . 1 . . . . 89 ALA HB . 11292 1 1024 . 1 1 89 89 ALA HB3 H 1 1.030 0.030 . 1 . . . . 89 ALA HB . 11292 1 1025 . 1 1 89 89 ALA C C 13 174.406 0.300 . 1 . . . . 89 ALA C . 11292 1 1026 . 1 1 89 89 ALA CA C 13 50.688 0.300 . 1 . . . . 89 ALA CA . 11292 1 1027 . 1 1 89 89 ALA CB C 13 21.540 0.300 . 1 . . . . 89 ALA CB . 11292 1 1028 . 1 1 89 89 ALA N N 15 124.454 0.300 . 1 . . . . 89 ALA N . 11292 1 1029 . 1 1 90 90 ARG H H 1 8.744 0.030 . 1 . . . . 90 ARG H . 11292 1 1030 . 1 1 90 90 ARG HA H 1 4.853 0.030 . 1 . . . . 90 ARG HA . 11292 1 1031 . 1 1 90 90 ARG HB2 H 1 1.752 0.030 . 2 . . . . 90 ARG HB2 . 11292 1 1032 . 1 1 90 90 ARG HB3 H 1 1.385 0.030 . 2 . . . . 90 ARG HB3 . 11292 1 1033 . 1 1 90 90 ARG HD2 H 1 3.186 0.030 . 2 . . . . 90 ARG HD2 . 11292 1 1034 . 1 1 90 90 ARG HD3 H 1 3.085 0.030 . 2 . . . . 90 ARG HD3 . 11292 1 1035 . 1 1 90 90 ARG HE H 1 7.484 0.030 . 1 . . . . 90 ARG HE . 11292 1 1036 . 1 1 90 90 ARG HG2 H 1 1.313 0.030 . 2 . . . . 90 ARG HG2 . 11292 1 1037 . 1 1 90 90 ARG HG3 H 1 1.221 0.030 . 2 . . . . 90 ARG HG3 . 11292 1 1038 . 1 1 90 90 ARG C C 13 174.890 0.300 . 1 . . . . 90 ARG C . 11292 1 1039 . 1 1 90 90 ARG CA C 13 55.164 0.300 . 1 . . . . 90 ARG CA . 11292 1 1040 . 1 1 90 90 ARG CB C 13 33.366 0.300 . 1 . . . . 90 ARG CB . 11292 1 1041 . 1 1 90 90 ARG CD C 13 43.112 0.300 . 1 . . . . 90 ARG CD . 11292 1 1042 . 1 1 90 90 ARG CG C 13 28.817 0.300 . 1 . . . . 90 ARG CG . 11292 1 1043 . 1 1 90 90 ARG N N 15 121.787 0.300 . 1 . . . . 90 ARG N . 11292 1 1044 . 1 1 90 90 ARG NE N 15 83.707 0.300 . 1 . . . . 90 ARG NE . 11292 1 1045 . 1 1 91 91 SER H H 1 8.710 0.030 . 1 . . . . 91 SER H . 11292 1 1046 . 1 1 91 91 SER HA H 1 5.210 0.030 . 1 . . . . 91 SER HA . 11292 1 1047 . 1 1 91 91 SER HB2 H 1 4.560 0.030 . 2 . . . . 91 SER HB2 . 11292 1 1048 . 1 1 91 91 SER HB3 H 1 3.656 0.030 . 2 . . . . 91 SER HB3 . 11292 1 1049 . 1 1 91 91 SER C C 13 173.699 0.300 . 1 . . . . 91 SER C . 11292 1 1050 . 1 1 91 91 SER CA C 13 55.872 0.300 . 1 . . . . 91 SER CA . 11292 1 1051 . 1 1 91 91 SER CB C 13 65.891 0.300 . 1 . . . . 91 SER CB . 11292 1 1052 . 1 1 91 91 SER N N 15 123.719 0.300 . 1 . . . . 91 SER N . 11292 1 1053 . 1 1 92 92 PRO HA H 1 4.311 0.030 . 1 . . . . 92 PRO HA . 11292 1 1054 . 1 1 92 92 PRO HB2 H 1 2.436 0.030 . 2 . . . . 92 PRO HB2 . 11292 1 1055 . 1 1 92 92 PRO HB3 H 1 1.828 0.030 . 2 . . . . 92 PRO HB3 . 11292 1 1056 . 1 1 92 92 PRO HD2 H 1 3.887 0.030 . 2 . . . . 92 PRO HD2 . 11292 1 1057 . 1 1 92 92 PRO HD3 H 1 3.848 0.030 . 2 . . . . 92 PRO HD3 . 11292 1 1058 . 1 1 92 92 PRO HG2 H 1 2.173 0.030 . 2 . . . . 92 PRO HG2 . 11292 1 1059 . 1 1 92 92 PRO HG3 H 1 1.964 0.030 . 2 . . . . 92 PRO HG3 . 11292 1 1060 . 1 1 92 92 PRO C C 13 176.860 0.300 . 1 . . . . 92 PRO C . 11292 1 1061 . 1 1 92 92 PRO CA C 13 65.396 0.300 . 1 . . . . 92 PRO CA . 11292 1 1062 . 1 1 92 92 PRO CB C 13 31.422 0.300 . 1 . . . . 92 PRO CB . 11292 1 1063 . 1 1 92 92 PRO CD C 13 51.287 0.300 . 1 . . . . 92 PRO CD . 11292 1 1064 . 1 1 92 92 PRO CG C 13 28.365 0.300 . 1 . . . . 92 PRO CG . 11292 1 1065 . 1 1 93 93 GLN H H 1 7.740 0.030 . 1 . . . . 93 GLN H . 11292 1 1066 . 1 1 93 93 GLN HA H 1 4.204 0.030 . 1 . . . . 93 GLN HA . 11292 1 1067 . 1 1 93 93 GLN HB2 H 1 2.008 0.030 . 2 . . . . 93 GLN HB2 . 11292 1 1068 . 1 1 93 93 GLN HB3 H 1 1.721 0.030 . 2 . . . . 93 GLN HB3 . 11292 1 1069 . 1 1 93 93 GLN HE21 H 1 7.538 0.030 . 2 . . . . 93 GLN HE21 . 11292 1 1070 . 1 1 93 93 GLN HE22 H 1 6.894 0.030 . 2 . . . . 93 GLN HE22 . 11292 1 1071 . 1 1 93 93 GLN HG2 H 1 2.429 0.030 . 2 . . . . 93 GLN HG2 . 11292 1 1072 . 1 1 93 93 GLN HG3 H 1 2.319 0.030 . 2 . . . . 93 GLN HG3 . 11292 1 1073 . 1 1 93 93 GLN C C 13 175.745 0.300 . 1 . . . . 93 GLN C . 11292 1 1074 . 1 1 93 93 GLN CA C 13 57.139 0.300 . 1 . . . . 93 GLN CA . 11292 1 1075 . 1 1 93 93 GLN CB C 13 29.082 0.300 . 1 . . . . 93 GLN CB . 11292 1 1076 . 1 1 93 93 GLN CG C 13 35.007 0.300 . 1 . . . . 93 GLN CG . 11292 1 1077 . 1 1 93 93 GLN N N 15 112.989 0.300 . 1 . . . . 93 GLN N . 11292 1 1078 . 1 1 93 93 GLN NE2 N 15 112.206 0.300 . 1 . . . . 93 GLN NE2 . 11292 1 1079 . 1 1 94 94 GLY H H 1 7.672 0.030 . 1 . . . . 94 GLY H . 11292 1 1080 . 1 1 94 94 GLY HA2 H 1 4.385 0.030 . 2 . . . . 94 GLY HA2 . 11292 1 1081 . 1 1 94 94 GLY HA3 H 1 3.734 0.030 . 2 . . . . 94 GLY HA3 . 11292 1 1082 . 1 1 94 94 GLY C C 13 171.311 0.300 . 1 . . . . 94 GLY C . 11292 1 1083 . 1 1 94 94 GLY CA C 13 44.514 0.300 . 1 . . . . 94 GLY CA . 11292 1 1084 . 1 1 94 94 GLY N N 15 107.297 0.300 . 1 . . . . 94 GLY N . 11292 1 1085 . 1 1 95 95 LEU H H 1 8.251 0.030 . 1 . . . . 95 LEU H . 11292 1 1086 . 1 1 95 95 LEU HA H 1 4.410 0.030 . 1 . . . . 95 LEU HA . 11292 1 1087 . 1 1 95 95 LEU HB2 H 1 1.735 0.030 . 2 . . . . 95 LEU HB2 . 11292 1 1088 . 1 1 95 95 LEU HB3 H 1 1.227 0.030 . 2 . . . . 95 LEU HB3 . 11292 1 1089 . 1 1 95 95 LEU HD11 H 1 0.742 0.030 . 1 . . . . 95 LEU HD1 . 11292 1 1090 . 1 1 95 95 LEU HD12 H 1 0.742 0.030 . 1 . . . . 95 LEU HD1 . 11292 1 1091 . 1 1 95 95 LEU HD13 H 1 0.742 0.030 . 1 . . . . 95 LEU HD1 . 11292 1 1092 . 1 1 95 95 LEU HD21 H 1 0.643 0.030 . 1 . . . . 95 LEU HD2 . 11292 1 1093 . 1 1 95 95 LEU HD22 H 1 0.643 0.030 . 1 . . . . 95 LEU HD2 . 11292 1 1094 . 1 1 95 95 LEU HD23 H 1 0.643 0.030 . 1 . . . . 95 LEU HD2 . 11292 1 1095 . 1 1 95 95 LEU HG H 1 1.779 0.030 . 1 . . . . 95 LEU HG . 11292 1 1096 . 1 1 95 95 LEU C C 13 177.438 0.300 . 1 . . . . 95 LEU C . 11292 1 1097 . 1 1 95 95 LEU CA C 13 54.849 0.300 . 1 . . . . 95 LEU CA . 11292 1 1098 . 1 1 95 95 LEU CB C 13 43.763 0.300 . 1 . . . . 95 LEU CB . 11292 1 1099 . 1 1 95 95 LEU CD1 C 13 25.787 0.300 . 2 . . . . 95 LEU CD1 . 11292 1 1100 . 1 1 95 95 LEU CD2 C 13 23.823 0.300 . 2 . . . . 95 LEU CD2 . 11292 1 1101 . 1 1 95 95 LEU CG C 13 25.934 0.300 . 1 . . . . 95 LEU CG . 11292 1 1102 . 1 1 95 95 LEU N N 15 121.773 0.300 . 1 . . . . 95 LEU N . 11292 1 1103 . 1 1 96 96 GLY H H 1 9.051 0.030 . 1 . . . . 96 GLY H . 11292 1 1104 . 1 1 96 96 GLY HA2 H 1 4.171 0.030 . 2 . . . . 96 GLY HA2 . 11292 1 1105 . 1 1 96 96 GLY HA3 H 1 4.080 0.030 . 2 . . . . 96 GLY HA3 . 11292 1 1106 . 1 1 96 96 GLY C C 13 172.376 0.300 . 1 . . . . 96 GLY C . 11292 1 1107 . 1 1 96 96 GLY CA C 13 44.692 0.300 . 1 . . . . 96 GLY CA . 11292 1 1108 . 1 1 96 96 GLY N N 15 113.821 0.300 . 1 . . . . 96 GLY N . 11292 1 1109 . 1 1 97 97 ALA H H 1 7.663 0.030 . 1 . . . . 97 ALA H . 11292 1 1110 . 1 1 97 97 ALA HA H 1 4.155 0.030 . 1 . . . . 97 ALA HA . 11292 1 1111 . 1 1 97 97 ALA HB1 H 1 1.370 0.030 . 1 . . . . 97 ALA HB . 11292 1 1112 . 1 1 97 97 ALA HB2 H 1 1.370 0.030 . 1 . . . . 97 ALA HB . 11292 1 1113 . 1 1 97 97 ALA HB3 H 1 1.370 0.030 . 1 . . . . 97 ALA HB . 11292 1 1114 . 1 1 97 97 ALA C C 13 178.483 0.300 . 1 . . . . 97 ALA C . 11292 1 1115 . 1 1 97 97 ALA CA C 13 52.021 0.300 . 1 . . . . 97 ALA CA . 11292 1 1116 . 1 1 97 97 ALA CB C 13 19.592 0.300 . 1 . . . . 97 ALA CB . 11292 1 1117 . 1 1 97 97 ALA N N 15 118.536 0.300 . 1 . . . . 97 ALA N . 11292 1 1118 . 1 1 98 98 SER H H 1 8.431 0.030 . 1 . . . . 98 SER H . 11292 1 1119 . 1 1 98 98 SER HA H 1 4.998 0.030 . 1 . . . . 98 SER HA . 11292 1 1120 . 1 1 98 98 SER HB2 H 1 3.798 0.030 . 1 . . . . 98 SER HB2 . 11292 1 1121 . 1 1 98 98 SER HB3 H 1 3.798 0.030 . 1 . . . . 98 SER HB3 . 11292 1 1122 . 1 1 98 98 SER C C 13 177.452 0.300 . 1 . . . . 98 SER C . 11292 1 1123 . 1 1 98 98 SER CA C 13 57.622 0.300 . 1 . . . . 98 SER CA . 11292 1 1124 . 1 1 98 98 SER CB C 13 64.974 0.300 . 1 . . . . 98 SER CB . 11292 1 1125 . 1 1 98 98 SER N N 15 114.969 0.300 . 1 . . . . 98 SER N . 11292 1 1126 . 1 1 99 99 THR H H 1 8.748 0.030 . 1 . . . . 99 THR H . 11292 1 1127 . 1 1 99 99 THR HA H 1 4.353 0.030 . 1 . . . . 99 THR HA . 11292 1 1128 . 1 1 99 99 THR HB H 1 4.907 0.030 . 1 . . . . 99 THR HB . 11292 1 1129 . 1 1 99 99 THR HG21 H 1 1.220 0.030 . 1 . . . . 99 THR HG2 . 11292 1 1130 . 1 1 99 99 THR HG22 H 1 1.220 0.030 . 1 . . . . 99 THR HG2 . 11292 1 1131 . 1 1 99 99 THR HG23 H 1 1.220 0.030 . 1 . . . . 99 THR HG2 . 11292 1 1132 . 1 1 99 99 THR C C 13 176.107 0.300 . 1 . . . . 99 THR C . 11292 1 1133 . 1 1 99 99 THR CA C 13 63.244 0.300 . 1 . . . . 99 THR CA . 11292 1 1134 . 1 1 99 99 THR CB C 13 71.934 0.300 . 1 . . . . 99 THR CB . 11292 1 1135 . 1 1 99 99 THR CG2 C 13 21.079 0.300 . 1 . . . . 99 THR CG2 . 11292 1 1136 . 1 1 99 99 THR N N 15 113.220 0.300 . 1 . . . . 99 THR N . 11292 1 1137 . 1 1 100 100 ALA H H 1 8.664 0.030 . 1 . . . . 100 ALA H . 11292 1 1138 . 1 1 100 100 ALA HA H 1 4.407 0.030 . 1 . . . . 100 ALA HA . 11292 1 1139 . 1 1 100 100 ALA HB1 H 1 1.545 0.030 . 1 . . . . 100 ALA HB . 11292 1 1140 . 1 1 100 100 ALA HB2 H 1 1.545 0.030 . 1 . . . . 100 ALA HB . 11292 1 1141 . 1 1 100 100 ALA HB3 H 1 1.545 0.030 . 1 . . . . 100 ALA HB . 11292 1 1142 . 1 1 100 100 ALA C C 13 177.516 0.300 . 1 . . . . 100 ALA C . 11292 1 1143 . 1 1 100 100 ALA CA C 13 53.017 0.300 . 1 . . . . 100 ALA CA . 11292 1 1144 . 1 1 100 100 ALA CB C 13 18.913 0.300 . 1 . . . . 100 ALA CB . 11292 1 1145 . 1 1 100 100 ALA N N 15 122.768 0.300 . 1 . . . . 100 ALA N . 11292 1 1146 . 1 1 101 101 GLU H H 1 8.654 0.030 . 1 . . . . 101 GLU H . 11292 1 1147 . 1 1 101 101 GLU HA H 1 5.144 0.030 . 1 . . . . 101 GLU HA . 11292 1 1148 . 1 1 101 101 GLU HB2 H 1 2.164 0.030 . 2 . . . . 101 GLU HB2 . 11292 1 1149 . 1 1 101 101 GLU HB3 H 1 1.876 0.030 . 2 . . . . 101 GLU HB3 . 11292 1 1150 . 1 1 101 101 GLU HG2 H 1 2.314 0.030 . 1 . . . . 101 GLU HG2 . 11292 1 1151 . 1 1 101 101 GLU HG3 H 1 2.314 0.030 . 1 . . . . 101 GLU HG3 . 11292 1 1152 . 1 1 101 101 GLU C C 13 177.358 0.300 . 1 . . . . 101 GLU C . 11292 1 1153 . 1 1 101 101 GLU CA C 13 56.429 0.300 . 1 . . . . 101 GLU CA . 11292 1 1154 . 1 1 101 101 GLU CB C 13 31.702 0.300 . 1 . . . . 101 GLU CB . 11292 1 1155 . 1 1 101 101 GLU CG C 13 38.554 0.300 . 1 . . . . 101 GLU CG . 11292 1 1156 . 1 1 101 101 GLU N N 15 122.634 0.300 . 1 . . . . 101 GLU N . 11292 1 1157 . 1 1 102 102 ILE H H 1 8.875 0.030 . 1 . . . . 102 ILE H . 11292 1 1158 . 1 1 102 102 ILE HA H 1 4.987 0.030 . 1 . . . . 102 ILE HA . 11292 1 1159 . 1 1 102 102 ILE HB H 1 2.095 0.030 . 1 . . . . 102 ILE HB . 11292 1 1160 . 1 1 102 102 ILE HD11 H 1 -0.039 0.030 . 1 . . . . 102 ILE HD1 . 11292 1 1161 . 1 1 102 102 ILE HD12 H 1 -0.039 0.030 . 1 . . . . 102 ILE HD1 . 11292 1 1162 . 1 1 102 102 ILE HD13 H 1 -0.039 0.030 . 1 . . . . 102 ILE HD1 . 11292 1 1163 . 1 1 102 102 ILE HG12 H 1 1.162 0.030 . 2 . . . . 102 ILE HG12 . 11292 1 1164 . 1 1 102 102 ILE HG13 H 1 1.065 0.030 . 2 . . . . 102 ILE HG13 . 11292 1 1165 . 1 1 102 102 ILE HG21 H 1 0.990 0.030 . 1 . . . . 102 ILE HG2 . 11292 1 1166 . 1 1 102 102 ILE HG22 H 1 0.990 0.030 . 1 . . . . 102 ILE HG2 . 11292 1 1167 . 1 1 102 102 ILE HG23 H 1 0.990 0.030 . 1 . . . . 102 ILE HG2 . 11292 1 1168 . 1 1 102 102 ILE C C 13 174.340 0.300 . 1 . . . . 102 ILE C . 11292 1 1169 . 1 1 102 102 ILE CA C 13 59.871 0.300 . 1 . . . . 102 ILE CA . 11292 1 1170 . 1 1 102 102 ILE CB C 13 41.351 0.300 . 1 . . . . 102 ILE CB . 11292 1 1171 . 1 1 102 102 ILE CD1 C 13 13.919 0.300 . 1 . . . . 102 ILE CD1 . 11292 1 1172 . 1 1 102 102 ILE CG1 C 13 26.050 0.300 . 1 . . . . 102 ILE CG1 . 11292 1 1173 . 1 1 102 102 ILE CG2 C 13 17.470 0.300 . 1 . . . . 102 ILE CG2 . 11292 1 1174 . 1 1 102 102 ILE N N 15 121.788 0.300 . 1 . . . . 102 ILE N . 11292 1 1175 . 1 1 103 103 SER H H 1 8.354 0.030 . 1 . . . . 103 SER H . 11292 1 1176 . 1 1 103 103 SER HA H 1 5.728 0.030 . 1 . . . . 103 SER HA . 11292 1 1177 . 1 1 103 103 SER HB2 H 1 3.098 0.030 . 1 . . . . 103 SER HB2 . 11292 1 1178 . 1 1 103 103 SER HB3 H 1 3.098 0.030 . 1 . . . . 103 SER HB3 . 11292 1 1179 . 1 1 103 103 SER C C 13 173.984 0.300 . 1 . . . . 103 SER C . 11292 1 1180 . 1 1 103 103 SER CA C 13 56.183 0.300 . 1 . . . . 103 SER CA . 11292 1 1181 . 1 1 103 103 SER CB C 13 67.239 0.300 . 1 . . . . 103 SER CB . 11292 1 1182 . 1 1 103 103 SER N N 15 112.555 0.300 . 1 . . . . 103 SER N . 11292 1 1183 . 1 1 104 104 ALA H H 1 8.858 0.030 . 1 . . . . 104 ALA H . 11292 1 1184 . 1 1 104 104 ALA HA H 1 4.458 0.030 . 1 . . . . 104 ALA HA . 11292 1 1185 . 1 1 104 104 ALA HB1 H 1 1.288 0.030 . 1 . . . . 104 ALA HB . 11292 1 1186 . 1 1 104 104 ALA HB2 H 1 1.288 0.030 . 1 . . . . 104 ALA HB . 11292 1 1187 . 1 1 104 104 ALA HB3 H 1 1.288 0.030 . 1 . . . . 104 ALA HB . 11292 1 1188 . 1 1 104 104 ALA C C 13 173.991 0.300 . 1 . . . . 104 ALA C . 11292 1 1189 . 1 1 104 104 ALA CA C 13 51.971 0.300 . 1 . . . . 104 ALA CA . 11292 1 1190 . 1 1 104 104 ALA CB C 13 23.351 0.300 . 1 . . . . 104 ALA CB . 11292 1 1191 . 1 1 104 104 ALA N N 15 119.216 0.300 . 1 . . . . 104 ALA N . 11292 1 1192 . 1 1 105 105 ARG H H 1 8.522 0.030 . 1 . . . . 105 ARG H . 11292 1 1193 . 1 1 105 105 ARG HA H 1 5.687 0.030 . 1 . . . . 105 ARG HA . 11292 1 1194 . 1 1 105 105 ARG HB2 H 1 1.746 0.030 . 2 . . . . 105 ARG HB2 . 11292 1 1195 . 1 1 105 105 ARG HB3 H 1 1.520 0.030 . 2 . . . . 105 ARG HB3 . 11292 1 1196 . 1 1 105 105 ARG HD2 H 1 3.183 0.030 . 2 . . . . 105 ARG HD2 . 11292 1 1197 . 1 1 105 105 ARG HD3 H 1 3.080 0.030 . 2 . . . . 105 ARG HD3 . 11292 1 1198 . 1 1 105 105 ARG HG2 H 1 1.821 0.030 . 2 . . . . 105 ARG HG2 . 11292 1 1199 . 1 1 105 105 ARG HG3 H 1 1.217 0.030 . 2 . . . . 105 ARG HG3 . 11292 1 1200 . 1 1 105 105 ARG C C 13 177.832 0.300 . 1 . . . . 105 ARG C . 11292 1 1201 . 1 1 105 105 ARG CA C 13 53.364 0.300 . 1 . . . . 105 ARG CA . 11292 1 1202 . 1 1 105 105 ARG CB C 13 33.714 0.300 . 1 . . . . 105 ARG CB . 11292 1 1203 . 1 1 105 105 ARG CD C 13 43.323 0.300 . 1 . . . . 105 ARG CD . 11292 1 1204 . 1 1 105 105 ARG CG C 13 27.946 0.300 . 1 . . . . 105 ARG CG . 11292 1 1205 . 1 1 105 105 ARG N N 15 121.957 0.300 . 1 . . . . 105 ARG N . 11292 1 1206 . 1 1 106 106 THR H H 1 8.856 0.030 . 1 . . . . 106 THR H . 11292 1 1207 . 1 1 106 106 THR HA H 1 4.083 0.030 . 1 . . . . 106 THR HA . 11292 1 1208 . 1 1 106 106 THR HB H 1 4.678 0.030 . 1 . . . . 106 THR HB . 11292 1 1209 . 1 1 106 106 THR HG21 H 1 1.189 0.030 . 1 . . . . 106 THR HG2 . 11292 1 1210 . 1 1 106 106 THR HG22 H 1 1.189 0.030 . 1 . . . . 106 THR HG2 . 11292 1 1211 . 1 1 106 106 THR HG23 H 1 1.189 0.030 . 1 . . . . 106 THR HG2 . 11292 1 1212 . 1 1 106 106 THR C C 13 175.309 0.300 . 1 . . . . 106 THR C . 11292 1 1213 . 1 1 106 106 THR CA C 13 61.834 0.300 . 1 . . . . 106 THR CA . 11292 1 1214 . 1 1 106 106 THR CB C 13 69.468 0.300 . 1 . . . . 106 THR CB . 11292 1 1215 . 1 1 106 106 THR CG2 C 13 25.098 0.300 . 1 . . . . 106 THR CG2 . 11292 1 1216 . 1 1 106 106 THR N N 15 113.683 0.300 . 1 . . . . 106 THR N . 11292 1 1217 . 1 1 107 107 MET H H 1 7.080 0.030 . 1 . . . . 107 MET H . 11292 1 1218 . 1 1 107 107 MET HA H 1 4.255 0.030 . 1 . . . . 107 MET HA . 11292 1 1219 . 1 1 107 107 MET HB2 H 1 2.629 0.030 . 2 . . . . 107 MET HB2 . 11292 1 1220 . 1 1 107 107 MET HB3 H 1 1.366 0.030 . 2 . . . . 107 MET HB3 . 11292 1 1221 . 1 1 107 107 MET HE1 H 1 1.993 0.030 . 1 . . . . 107 MET HE . 11292 1 1222 . 1 1 107 107 MET HE2 H 1 1.993 0.030 . 1 . . . . 107 MET HE . 11292 1 1223 . 1 1 107 107 MET HE3 H 1 1.993 0.030 . 1 . . . . 107 MET HE . 11292 1 1224 . 1 1 107 107 MET HG2 H 1 2.359 0.030 . 1 . . . . 107 MET HG2 . 11292 1 1225 . 1 1 107 107 MET HG3 H 1 2.359 0.030 . 1 . . . . 107 MET HG3 . 11292 1 1226 . 1 1 107 107 MET C C 13 175.445 0.300 . 1 . . . . 107 MET C . 11292 1 1227 . 1 1 107 107 MET CA C 13 56.652 0.300 . 1 . . . . 107 MET CA . 11292 1 1228 . 1 1 107 107 MET CB C 13 33.540 0.300 . 1 . . . . 107 MET CB . 11292 1 1229 . 1 1 107 107 MET CE C 13 17.758 0.300 . 1 . . . . 107 MET CE . 11292 1 1230 . 1 1 107 107 MET CG C 13 33.469 0.300 . 1 . . . . 107 MET CG . 11292 1 1231 . 1 1 107 107 MET N N 15 115.673 0.300 . 1 . . . . 107 MET N . 11292 1 1232 . 1 1 108 108 GLN H H 1 8.359 0.030 . 1 . . . . 108 GLN H . 11292 1 1233 . 1 1 108 108 GLN HA H 1 4.373 0.030 . 1 . . . . 108 GLN HA . 11292 1 1234 . 1 1 108 108 GLN HB2 H 1 2.051 0.030 . 2 . . . . 108 GLN HB2 . 11292 1 1235 . 1 1 108 108 GLN HB3 H 1 1.951 0.030 . 2 . . . . 108 GLN HB3 . 11292 1 1236 . 1 1 108 108 GLN HE21 H 1 7.505 0.030 . 2 . . . . 108 GLN HE21 . 11292 1 1237 . 1 1 108 108 GLN HE22 H 1 6.812 0.030 . 2 . . . . 108 GLN HE22 . 11292 1 1238 . 1 1 108 108 GLN HG2 H 1 2.422 0.030 . 2 . . . . 108 GLN HG2 . 11292 1 1239 . 1 1 108 108 GLN HG3 H 1 2.356 0.030 . 2 . . . . 108 GLN HG3 . 11292 1 1240 . 1 1 108 108 GLN C C 13 175.974 0.300 . 1 . . . . 108 GLN C . 11292 1 1241 . 1 1 108 108 GLN CA C 13 55.850 0.300 . 1 . . . . 108 GLN CA . 11292 1 1242 . 1 1 108 108 GLN CB C 13 30.097 0.300 . 1 . . . . 108 GLN CB . 11292 1 1243 . 1 1 108 108 GLN CG C 13 33.714 0.300 . 1 . . . . 108 GLN CG . 11292 1 1244 . 1 1 108 108 GLN N N 15 117.840 0.300 . 1 . . . . 108 GLN N . 11292 1 1245 . 1 1 108 108 GLN NE2 N 15 111.807 0.300 . 1 . . . . 108 GLN NE2 . 11292 1 1246 . 1 1 109 109 SER H H 1 8.721 0.030 . 1 . . . . 109 SER H . 11292 1 1247 . 1 1 109 109 SER HA H 1 4.467 0.030 . 1 . . . . 109 SER HA . 11292 1 1248 . 1 1 109 109 SER HB2 H 1 3.846 0.030 . 1 . . . . 109 SER HB2 . 11292 1 1249 . 1 1 109 109 SER HB3 H 1 3.846 0.030 . 1 . . . . 109 SER HB3 . 11292 1 1250 . 1 1 109 109 SER C C 13 174.950 0.300 . 1 . . . . 109 SER C . 11292 1 1251 . 1 1 109 109 SER CA C 13 58.375 0.300 . 1 . . . . 109 SER CA . 11292 1 1252 . 1 1 109 109 SER CB C 13 63.995 0.300 . 1 . . . . 109 SER CB . 11292 1 1253 . 1 1 109 109 SER N N 15 117.171 0.300 . 1 . . . . 109 SER N . 11292 1 1254 . 1 1 110 110 SER H H 1 8.695 0.030 . 1 . . . . 110 SER H . 11292 1 1255 . 1 1 110 110 SER HA H 1 4.498 0.030 . 1 . . . . 110 SER HA . 11292 1 1256 . 1 1 110 110 SER HB2 H 1 3.882 0.030 . 1 . . . . 110 SER HB2 . 11292 1 1257 . 1 1 110 110 SER HB3 H 1 3.882 0.030 . 1 . . . . 110 SER HB3 . 11292 1 1258 . 1 1 110 110 SER C C 13 174.705 0.300 . 1 . . . . 110 SER C . 11292 1 1259 . 1 1 110 110 SER CA C 13 58.659 0.300 . 1 . . . . 110 SER CA . 11292 1 1260 . 1 1 110 110 SER CB C 13 64.173 0.300 . 1 . . . . 110 SER CB . 11292 1 1261 . 1 1 110 110 SER N N 15 119.085 0.300 . 1 . . . . 110 SER N . 11292 1 1262 . 1 1 111 111 GLY H H 1 8.280 0.030 . 1 . . . . 111 GLY H . 11292 1 1263 . 1 1 111 111 GLY C C 13 171.829 0.300 . 1 . . . . 111 GLY C . 11292 1 1264 . 1 1 111 111 GLY CA C 13 44.674 0.300 . 1 . . . . 111 GLY CA . 11292 1 1265 . 1 1 111 111 GLY N N 15 110.680 0.300 . 1 . . . . 111 GLY N . 11292 1 stop_ save_