data_11248 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11248 _Entry.Title ; Solution structure of the PDZ domain from mouse LIM domain kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _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 F. Hayashi . . . 11248 2 T. Suetake . . . 11248 3 S. Yokoyama . . . 11248 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)' . 11248 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11248 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 483 11248 '15N chemical shifts' 115 11248 '1H chemical shifts' 782 11248 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 . . 2011-08-03 2010-07-23 original author . 11248 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUB 'BMRB Entry Tracking System' 11248 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11248 _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 PDZ domain from mouse LIM domain kinase' _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 F. Hayashi . . . 11248 1 2 T. Suetake . . . 11248 1 3 S. Yokoyama . . . 11248 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11248 _Assembly.ID 1 _Assembly.Name 'LIM domain kinase 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.2.7.11.1 _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 'PDZ domain' 1 $entity_1 A . yes native no no . . . 11248 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 2yub . . . . . . 11248 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11248 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ 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 ; GSSGSSGVQDQLPYSVTLIS MPATTECRRGFSVTVESASS NYATTVQVKEVNRMHISPNN RNAIHPGDRILEINGTPVRT LRVEEVEDAIKQTSQTLQLL IEHDPVPQRLDQSGPSSG ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YUB . "Solution Structure Of The Pdz Domain From Mouse Lim Domain Kinase" . . . . . 100.00 118 100.00 100.00 1.01e-78 . . . . 11248 1 2 no DBJ BAA06675 . "LIMK-2c [Rattus norvegicus]" . . . . . 88.98 350 98.10 99.05 2.04e-65 . . . . 11248 1 3 no DBJ BAA24488 . "LIMK2 [Mus musculus]" . . . . . 91.53 638 97.22 98.15 1.15e-63 . . . . 11248 1 4 no DBJ BAA24489 . "LIMK2b [Mus musculus]" . . . . . 91.53 617 97.22 98.15 2.61e-64 . . . . 11248 1 5 no DBJ BAA24491 . "LIMK2 [Mus musculus]" . . . . . 91.53 632 97.22 98.15 1.31e-63 . . . . 11248 1 6 no DBJ BAA29035 . "LIMK-2 [Mus musculus]" . . . . . 91.53 638 97.22 98.15 1.15e-63 . . . . 11248 1 7 no GB AAC39947 . "LIM kinase 2 [Mus musculus]" . . . . . 91.53 638 97.22 98.15 1.15e-63 . . . . 11248 1 8 no GB AAH07129 . "LIM motif-containing protein kinase 2 [Mus musculus]" . . . . . 91.53 638 97.22 98.15 1.15e-63 . . . . 11248 1 9 no GB ABK42255 . "Limk2 [synthetic construct]" . . . . . 91.53 638 97.22 98.15 1.09e-63 . . . . 11248 1 10 no GB EDL40412 . "LIM motif-containing protein kinase 2, isoform CRA_b [Mus musculus]" . . . . . 91.53 560 97.22 98.15 1.84e-64 . . . . 11248 1 11 no GB EDL40413 . "LIM motif-containing protein kinase 2, isoform CRA_c [Mus musculus]" . . . . . 91.53 638 97.22 98.15 1.15e-63 . . . . 11248 1 12 no REF NP_001029202 . "LIM domain kinase 2 isoform c [Mus musculus]" . . . . . 50.00 451 100.00 100.00 3.32e-31 . . . . 11248 1 13 no REF NP_034848 . "LIM domain kinase 2 isoform a [Mus musculus]" . . . . . 91.53 638 97.22 98.15 1.15e-63 . . . . 11248 1 14 no REF NP_774958 . "LIM domain kinase 2 isoform b [Mus musculus]" . . . . . 91.53 617 97.22 98.15 2.61e-64 . . . . 11248 1 15 no REF XP_005366157 . "PREDICTED: LIM domain kinase 2 [Microtus ochrogaster]" . . . . . 88.98 617 98.10 99.05 8.50e-63 . . . . 11248 1 16 no REF XP_006514610 . "PREDICTED: LIM domain kinase 2 isoform X1 [Mus musculus]" . . . . . 91.53 696 97.22 98.15 1.54e-63 . . . . 11248 1 17 no SP O54785 . "RecName: Full=LIM domain kinase 2; Short=LIMK-2" . . . . . 91.53 638 97.22 98.15 1.15e-63 . . . . 11248 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 11248 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 . 11248 1 2 . SER . 11248 1 3 . SER . 11248 1 4 . GLY . 11248 1 5 . SER . 11248 1 6 . SER . 11248 1 7 . GLY . 11248 1 8 . VAL . 11248 1 9 . GLN . 11248 1 10 . ASP . 11248 1 11 . GLN . 11248 1 12 . LEU . 11248 1 13 . PRO . 11248 1 14 . TYR . 11248 1 15 . SER . 11248 1 16 . VAL . 11248 1 17 . THR . 11248 1 18 . LEU . 11248 1 19 . ILE . 11248 1 20 . SER . 11248 1 21 . MET . 11248 1 22 . PRO . 11248 1 23 . ALA . 11248 1 24 . THR . 11248 1 25 . THR . 11248 1 26 . GLU . 11248 1 27 . CYS . 11248 1 28 . ARG . 11248 1 29 . ARG . 11248 1 30 . GLY . 11248 1 31 . PHE . 11248 1 32 . SER . 11248 1 33 . VAL . 11248 1 34 . THR . 11248 1 35 . VAL . 11248 1 36 . GLU . 11248 1 37 . SER . 11248 1 38 . ALA . 11248 1 39 . SER . 11248 1 40 . SER . 11248 1 41 . ASN . 11248 1 42 . TYR . 11248 1 43 . ALA . 11248 1 44 . THR . 11248 1 45 . THR . 11248 1 46 . VAL . 11248 1 47 . GLN . 11248 1 48 . VAL . 11248 1 49 . LYS . 11248 1 50 . GLU . 11248 1 51 . VAL . 11248 1 52 . ASN . 11248 1 53 . ARG . 11248 1 54 . MET . 11248 1 55 . HIS . 11248 1 56 . ILE . 11248 1 57 . SER . 11248 1 58 . PRO . 11248 1 59 . ASN . 11248 1 60 . ASN . 11248 1 61 . ARG . 11248 1 62 . ASN . 11248 1 63 . ALA . 11248 1 64 . ILE . 11248 1 65 . HIS . 11248 1 66 . PRO . 11248 1 67 . GLY . 11248 1 68 . ASP . 11248 1 69 . ARG . 11248 1 70 . ILE . 11248 1 71 . LEU . 11248 1 72 . GLU . 11248 1 73 . ILE . 11248 1 74 . ASN . 11248 1 75 . GLY . 11248 1 76 . THR . 11248 1 77 . PRO . 11248 1 78 . VAL . 11248 1 79 . ARG . 11248 1 80 . THR . 11248 1 81 . LEU . 11248 1 82 . ARG . 11248 1 83 . VAL . 11248 1 84 . GLU . 11248 1 85 . GLU . 11248 1 86 . VAL . 11248 1 87 . GLU . 11248 1 88 . ASP . 11248 1 89 . ALA . 11248 1 90 . ILE . 11248 1 91 . LYS . 11248 1 92 . GLN . 11248 1 93 . THR . 11248 1 94 . SER . 11248 1 95 . GLN . 11248 1 96 . THR . 11248 1 97 . LEU . 11248 1 98 . GLN . 11248 1 99 . LEU . 11248 1 100 . LEU . 11248 1 101 . ILE . 11248 1 102 . GLU . 11248 1 103 . HIS . 11248 1 104 . ASP . 11248 1 105 . PRO . 11248 1 106 . VAL . 11248 1 107 . PRO . 11248 1 108 . GLN . 11248 1 109 . ARG . 11248 1 110 . LEU . 11248 1 111 . ASP . 11248 1 112 . GLN . 11248 1 113 . SER . 11248 1 114 . GLY . 11248 1 115 . PRO . 11248 1 116 . SER . 11248 1 117 . SER . 11248 1 118 . GLY . 11248 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 11248 1 . SER 2 2 11248 1 . SER 3 3 11248 1 . GLY 4 4 11248 1 . SER 5 5 11248 1 . SER 6 6 11248 1 . GLY 7 7 11248 1 . VAL 8 8 11248 1 . GLN 9 9 11248 1 . ASP 10 10 11248 1 . GLN 11 11 11248 1 . LEU 12 12 11248 1 . PRO 13 13 11248 1 . TYR 14 14 11248 1 . SER 15 15 11248 1 . VAL 16 16 11248 1 . THR 17 17 11248 1 . LEU 18 18 11248 1 . ILE 19 19 11248 1 . SER 20 20 11248 1 . MET 21 21 11248 1 . PRO 22 22 11248 1 . ALA 23 23 11248 1 . THR 24 24 11248 1 . THR 25 25 11248 1 . GLU 26 26 11248 1 . CYS 27 27 11248 1 . ARG 28 28 11248 1 . ARG 29 29 11248 1 . GLY 30 30 11248 1 . PHE 31 31 11248 1 . SER 32 32 11248 1 . VAL 33 33 11248 1 . THR 34 34 11248 1 . VAL 35 35 11248 1 . GLU 36 36 11248 1 . SER 37 37 11248 1 . ALA 38 38 11248 1 . SER 39 39 11248 1 . SER 40 40 11248 1 . ASN 41 41 11248 1 . TYR 42 42 11248 1 . ALA 43 43 11248 1 . THR 44 44 11248 1 . THR 45 45 11248 1 . VAL 46 46 11248 1 . GLN 47 47 11248 1 . VAL 48 48 11248 1 . LYS 49 49 11248 1 . GLU 50 50 11248 1 . VAL 51 51 11248 1 . ASN 52 52 11248 1 . ARG 53 53 11248 1 . MET 54 54 11248 1 . HIS 55 55 11248 1 . ILE 56 56 11248 1 . SER 57 57 11248 1 . PRO 58 58 11248 1 . ASN 59 59 11248 1 . ASN 60 60 11248 1 . ARG 61 61 11248 1 . ASN 62 62 11248 1 . ALA 63 63 11248 1 . ILE 64 64 11248 1 . HIS 65 65 11248 1 . PRO 66 66 11248 1 . GLY 67 67 11248 1 . ASP 68 68 11248 1 . ARG 69 69 11248 1 . ILE 70 70 11248 1 . LEU 71 71 11248 1 . GLU 72 72 11248 1 . ILE 73 73 11248 1 . ASN 74 74 11248 1 . GLY 75 75 11248 1 . THR 76 76 11248 1 . PRO 77 77 11248 1 . VAL 78 78 11248 1 . ARG 79 79 11248 1 . THR 80 80 11248 1 . LEU 81 81 11248 1 . ARG 82 82 11248 1 . VAL 83 83 11248 1 . GLU 84 84 11248 1 . GLU 85 85 11248 1 . VAL 86 86 11248 1 . GLU 87 87 11248 1 . ASP 88 88 11248 1 . ALA 89 89 11248 1 . ILE 90 90 11248 1 . LYS 91 91 11248 1 . GLN 92 92 11248 1 . THR 93 93 11248 1 . SER 94 94 11248 1 . GLN 95 95 11248 1 . THR 96 96 11248 1 . LEU 97 97 11248 1 . GLN 98 98 11248 1 . LEU 99 99 11248 1 . LEU 100 100 11248 1 . ILE 101 101 11248 1 . GLU 102 102 11248 1 . HIS 103 103 11248 1 . ASP 104 104 11248 1 . PRO 105 105 11248 1 . VAL 106 106 11248 1 . PRO 107 107 11248 1 . GLN 108 108 11248 1 . ARG 109 109 11248 1 . LEU 110 110 11248 1 . ASP 111 111 11248 1 . GLN 112 112 11248 1 . SER 113 113 11248 1 . GLY 114 114 11248 1 . PRO 115 115 11248 1 . SER 116 116 11248 1 . SER 117 117 11248 1 . GLY 118 118 11248 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 11248 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11248 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 11248 _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 . . . . . . . . . . . . . plasmid . . P041220-03 . . . . . . 11248 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11248 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.47mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {DTT;} 0.02% {NaN3;} 90% H2O, 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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.47 . . mM . . . . 11248 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11248 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11248 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11248 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11248 1 6 H2O . . . . . . solvent 90 . . % . . . . 11248 1 7 D2O . . . . . . solvent 10 . . % . . . . 11248 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 11248 _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 11248 1 pH 7.0 0.05 pH 11248 1 pressure 1 0.001 atm 11248 1 temperature 293 0.1 K 11248 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11248 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11248 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11248 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11248 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11248 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11248 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11248 _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.' . . 11248 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11248 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11248 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11248 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11248 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11248 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11248 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11248 5 'structure solution' 11248 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 11248 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11248 _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 Varian INOVA . 800 . . . 11248 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 11248 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11248 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11248 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 11248 _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 . . . . . . . . . 11248 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11248 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11248 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 11248 _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 13C-separated NOESY' 1 $sample_1 isotropic 11248 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11248 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 $VNMR . . 11248 1 2 $NMRPipe . . 11248 1 3 $NMRView . . 11248 1 4 $KUJIRA . . 11248 1 5 $CYANA . . 11248 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 6 6 SER HA H 1 4.484 0.030 . 1 . . . . 6 SER HA . 11248 1 2 . 1 1 6 6 SER HB2 H 1 3.906 0.030 . 1 . . . . 6 SER HB2 . 11248 1 3 . 1 1 6 6 SER HB3 H 1 3.906 0.030 . 1 . . . . 6 SER HB3 . 11248 1 4 . 1 1 6 6 SER C C 13 174.964 0.300 . 1 . . . . 6 SER C . 11248 1 5 . 1 1 6 6 SER CA C 13 58.643 0.300 . 1 . . . . 6 SER CA . 11248 1 6 . 1 1 6 6 SER CB C 13 63.833 0.300 . 1 . . . . 6 SER CB . 11248 1 7 . 1 1 7 7 GLY H H 1 8.413 0.030 . 1 . . . . 7 GLY H . 11248 1 8 . 1 1 7 7 GLY HA2 H 1 3.998 0.030 . 1 . . . . 7 GLY HA2 . 11248 1 9 . 1 1 7 7 GLY HA3 H 1 3.998 0.030 . 1 . . . . 7 GLY HA3 . 11248 1 10 . 1 1 7 7 GLY C C 13 174.128 0.300 . 1 . . . . 7 GLY C . 11248 1 11 . 1 1 7 7 GLY CA C 13 45.284 0.300 . 1 . . . . 7 GLY CA . 11248 1 12 . 1 1 7 7 GLY N N 15 110.812 0.300 . 1 . . . . 7 GLY N . 11248 1 13 . 1 1 8 8 VAL H H 1 8.008 0.030 . 1 . . . . 8 VAL H . 11248 1 14 . 1 1 8 8 VAL HA H 1 4.112 0.030 . 1 . . . . 8 VAL HA . 11248 1 15 . 1 1 8 8 VAL HB H 1 2.067 0.030 . 1 . . . . 8 VAL HB . 11248 1 16 . 1 1 8 8 VAL HG11 H 1 0.928 0.030 . 1 . . . . 8 VAL HG1 . 11248 1 17 . 1 1 8 8 VAL HG12 H 1 0.928 0.030 . 1 . . . . 8 VAL HG1 . 11248 1 18 . 1 1 8 8 VAL HG13 H 1 0.928 0.030 . 1 . . . . 8 VAL HG1 . 11248 1 19 . 1 1 8 8 VAL HG21 H 1 0.919 0.030 . 1 . . . . 8 VAL HG2 . 11248 1 20 . 1 1 8 8 VAL HG22 H 1 0.919 0.030 . 1 . . . . 8 VAL HG2 . 11248 1 21 . 1 1 8 8 VAL HG23 H 1 0.919 0.030 . 1 . . . . 8 VAL HG2 . 11248 1 22 . 1 1 8 8 VAL C C 13 176.406 0.300 . 1 . . . . 8 VAL C . 11248 1 23 . 1 1 8 8 VAL CA C 13 62.411 0.300 . 1 . . . . 8 VAL CA . 11248 1 24 . 1 1 8 8 VAL CB C 13 32.654 0.300 . 1 . . . . 8 VAL CB . 11248 1 25 . 1 1 8 8 VAL CG1 C 13 21.104 0.300 . 2 . . . . 8 VAL CG1 . 11248 1 26 . 1 1 8 8 VAL CG2 C 13 20.414 0.300 . 2 . . . . 8 VAL CG2 . 11248 1 27 . 1 1 8 8 VAL N N 15 119.355 0.300 . 1 . . . . 8 VAL N . 11248 1 28 . 1 1 9 9 GLN H H 1 8.507 0.030 . 1 . . . . 9 GLN H . 11248 1 29 . 1 1 9 9 GLN HA H 1 4.339 0.030 . 1 . . . . 9 GLN HA . 11248 1 30 . 1 1 9 9 GLN HB2 H 1 2.090 0.030 . 2 . . . . 9 GLN HB2 . 11248 1 31 . 1 1 9 9 GLN HB3 H 1 1.974 0.030 . 2 . . . . 9 GLN HB3 . 11248 1 32 . 1 1 9 9 GLN HE21 H 1 7.580 0.030 . 2 . . . . 9 GLN HE21 . 11248 1 33 . 1 1 9 9 GLN HE22 H 1 6.862 0.030 . 2 . . . . 9 GLN HE22 . 11248 1 34 . 1 1 9 9 GLN HG2 H 1 2.345 0.030 . 1 . . . . 9 GLN HG2 . 11248 1 35 . 1 1 9 9 GLN HG3 H 1 2.345 0.030 . 1 . . . . 9 GLN HG3 . 11248 1 36 . 1 1 9 9 GLN C C 13 175.654 0.300 . 1 . . . . 9 GLN C . 11248 1 37 . 1 1 9 9 GLN CA C 13 55.856 0.300 . 1 . . . . 9 GLN CA . 11248 1 38 . 1 1 9 9 GLN CB C 13 29.483 0.300 . 1 . . . . 9 GLN CB . 11248 1 39 . 1 1 9 9 GLN CG C 13 33.757 0.300 . 1 . . . . 9 GLN CG . 11248 1 40 . 1 1 9 9 GLN N N 15 123.889 0.300 . 1 . . . . 9 GLN N . 11248 1 41 . 1 1 9 9 GLN NE2 N 15 112.704 0.300 . 1 . . . . 9 GLN NE2 . 11248 1 42 . 1 1 10 10 ASP H H 1 8.303 0.030 . 1 . . . . 10 ASP H . 11248 1 43 . 1 1 10 10 ASP HA H 1 4.545 0.030 . 1 . . . . 10 ASP HA . 11248 1 44 . 1 1 10 10 ASP HB2 H 1 2.660 0.030 . 2 . . . . 10 ASP HB2 . 11248 1 45 . 1 1 10 10 ASP HB3 H 1 2.611 0.030 . 2 . . . . 10 ASP HB3 . 11248 1 46 . 1 1 10 10 ASP C C 13 175.875 0.300 . 1 . . . . 10 ASP C . 11248 1 47 . 1 1 10 10 ASP CA C 13 54.547 0.300 . 1 . . . . 10 ASP CA . 11248 1 48 . 1 1 10 10 ASP CB C 13 41.147 0.300 . 1 . . . . 10 ASP CB . 11248 1 49 . 1 1 10 10 ASP N N 15 121.578 0.300 . 1 . . . . 10 ASP N . 11248 1 50 . 1 1 11 11 GLN H H 1 8.220 0.030 . 1 . . . . 11 GLN H . 11248 1 51 . 1 1 11 11 GLN HA H 1 4.329 0.030 . 1 . . . . 11 GLN HA . 11248 1 52 . 1 1 11 11 GLN HB2 H 1 2.087 0.030 . 2 . . . . 11 GLN HB2 . 11248 1 53 . 1 1 11 11 GLN HB3 H 1 1.936 0.030 . 2 . . . . 11 GLN HB3 . 11248 1 54 . 1 1 11 11 GLN HE21 H 1 7.546 0.030 . 2 . . . . 11 GLN HE21 . 11248 1 55 . 1 1 11 11 GLN HE22 H 1 6.838 0.030 . 2 . . . . 11 GLN HE22 . 11248 1 56 . 1 1 11 11 GLN HG2 H 1 2.327 0.030 . 1 . . . . 11 GLN HG2 . 11248 1 57 . 1 1 11 11 GLN HG3 H 1 2.327 0.030 . 1 . . . . 11 GLN HG3 . 11248 1 58 . 1 1 11 11 GLN C C 13 175.661 0.300 . 1 . . . . 11 GLN C . 11248 1 59 . 1 1 11 11 GLN CA C 13 55.380 0.300 . 1 . . . . 11 GLN CA . 11248 1 60 . 1 1 11 11 GLN CB C 13 29.586 0.300 . 1 . . . . 11 GLN CB . 11248 1 61 . 1 1 11 11 GLN CG C 13 33.709 0.300 . 1 . . . . 11 GLN CG . 11248 1 62 . 1 1 11 11 GLN N N 15 119.833 0.300 . 1 . . . . 11 GLN N . 11248 1 63 . 1 1 11 11 GLN NE2 N 15 112.704 0.300 . 1 . . . . 11 GLN NE2 . 11248 1 64 . 1 1 12 12 LEU H H 1 8.313 0.030 . 1 . . . . 12 LEU H . 11248 1 65 . 1 1 12 12 LEU HA H 1 4.553 0.030 . 1 . . . . 12 LEU HA . 11248 1 66 . 1 1 12 12 LEU HB2 H 1 1.538 0.030 . 2 . . . . 12 LEU HB2 . 11248 1 67 . 1 1 12 12 LEU HB3 H 1 1.371 0.030 . 2 . . . . 12 LEU HB3 . 11248 1 68 . 1 1 12 12 LEU HD11 H 1 0.764 0.030 . 1 . . . . 12 LEU HD1 . 11248 1 69 . 1 1 12 12 LEU HD12 H 1 0.764 0.030 . 1 . . . . 12 LEU HD1 . 11248 1 70 . 1 1 12 12 LEU HD13 H 1 0.764 0.030 . 1 . . . . 12 LEU HD1 . 11248 1 71 . 1 1 12 12 LEU HD21 H 1 0.845 0.030 . 1 . . . . 12 LEU HD2 . 11248 1 72 . 1 1 12 12 LEU HD22 H 1 0.845 0.030 . 1 . . . . 12 LEU HD2 . 11248 1 73 . 1 1 12 12 LEU HD23 H 1 0.845 0.030 . 1 . . . . 12 LEU HD2 . 11248 1 74 . 1 1 12 12 LEU HG H 1 1.597 0.030 . 1 . . . . 12 LEU HG . 11248 1 75 . 1 1 12 12 LEU C C 13 175.306 0.300 . 1 . . . . 12 LEU C . 11248 1 76 . 1 1 12 12 LEU CA C 13 52.969 0.300 . 1 . . . . 12 LEU CA . 11248 1 77 . 1 1 12 12 LEU CB C 13 41.683 0.300 . 1 . . . . 12 LEU CB . 11248 1 78 . 1 1 12 12 LEU CD1 C 13 25.129 0.300 . 2 . . . . 12 LEU CD1 . 11248 1 79 . 1 1 12 12 LEU CD2 C 13 23.092 0.300 . 2 . . . . 12 LEU CD2 . 11248 1 80 . 1 1 12 12 LEU CG C 13 27.039 0.300 . 1 . . . . 12 LEU CG . 11248 1 81 . 1 1 12 12 LEU N N 15 125.196 0.300 . 1 . . . . 12 LEU N . 11248 1 82 . 1 1 13 13 PRO HA H 1 4.494 0.030 . 1 . . . . 13 PRO HA . 11248 1 83 . 1 1 13 13 PRO HB2 H 1 2.223 0.030 . 2 . . . . 13 PRO HB2 . 11248 1 84 . 1 1 13 13 PRO HB3 H 1 1.975 0.030 . 2 . . . . 13 PRO HB3 . 11248 1 85 . 1 1 13 13 PRO HD2 H 1 3.549 0.030 . 2 . . . . 13 PRO HD2 . 11248 1 86 . 1 1 13 13 PRO HD3 H 1 3.768 0.030 . 2 . . . . 13 PRO HD3 . 11248 1 87 . 1 1 13 13 PRO HG2 H 1 1.897 0.030 . 2 . . . . 13 PRO HG2 . 11248 1 88 . 1 1 13 13 PRO HG3 H 1 2.023 0.030 . 2 . . . . 13 PRO HG3 . 11248 1 89 . 1 1 13 13 PRO C C 13 176.061 0.300 . 1 . . . . 13 PRO C . 11248 1 90 . 1 1 13 13 PRO CA C 13 62.591 0.300 . 1 . . . . 13 PRO CA . 11248 1 91 . 1 1 13 13 PRO CB C 13 32.164 0.300 . 1 . . . . 13 PRO CB . 11248 1 92 . 1 1 13 13 PRO CD C 13 50.283 0.300 . 1 . . . . 13 PRO CD . 11248 1 93 . 1 1 13 13 PRO CG C 13 26.998 0.300 . 1 . . . . 13 PRO CG . 11248 1 94 . 1 1 14 14 TYR H H 1 8.060 0.030 . 1 . . . . 14 TYR H . 11248 1 95 . 1 1 14 14 TYR HA H 1 4.777 0.030 . 1 . . . . 14 TYR HA . 11248 1 96 . 1 1 14 14 TYR HB2 H 1 2.986 0.030 . 1 . . . . 14 TYR HB2 . 11248 1 97 . 1 1 14 14 TYR HB3 H 1 2.986 0.030 . 1 . . . . 14 TYR HB3 . 11248 1 98 . 1 1 14 14 TYR HD1 H 1 7.088 0.030 . 1 . . . . 14 TYR HD1 . 11248 1 99 . 1 1 14 14 TYR HD2 H 1 7.088 0.030 . 1 . . . . 14 TYR HD2 . 11248 1 100 . 1 1 14 14 TYR HE1 H 1 6.758 0.030 . 1 . . . . 14 TYR HE1 . 11248 1 101 . 1 1 14 14 TYR HE2 H 1 6.758 0.030 . 1 . . . . 14 TYR HE2 . 11248 1 102 . 1 1 14 14 TYR C C 13 176.020 0.300 . 1 . . . . 14 TYR C . 11248 1 103 . 1 1 14 14 TYR CA C 13 58.013 0.300 . 1 . . . . 14 TYR CA . 11248 1 104 . 1 1 14 14 TYR CB C 13 38.953 0.300 . 1 . . . . 14 TYR CB . 11248 1 105 . 1 1 14 14 TYR CD1 C 13 133.004 0.300 . 1 . . . . 14 TYR CD1 . 11248 1 106 . 1 1 14 14 TYR CD2 C 13 133.004 0.300 . 1 . . . . 14 TYR CD2 . 11248 1 107 . 1 1 14 14 TYR CE1 C 13 118.019 0.300 . 1 . . . . 14 TYR CE1 . 11248 1 108 . 1 1 14 14 TYR CE2 C 13 118.019 0.300 . 1 . . . . 14 TYR CE2 . 11248 1 109 . 1 1 14 14 TYR N N 15 118.869 0.300 . 1 . . . . 14 TYR N . 11248 1 110 . 1 1 15 15 SER H H 1 8.314 0.030 . 1 . . . . 15 SER H . 11248 1 111 . 1 1 15 15 SER HA H 1 4.549 0.030 . 1 . . . . 15 SER HA . 11248 1 112 . 1 1 15 15 SER HB2 H 1 3.840 0.030 . 2 . . . . 15 SER HB2 . 11248 1 113 . 1 1 15 15 SER HB3 H 1 3.809 0.030 . 2 . . . . 15 SER HB3 . 11248 1 114 . 1 1 15 15 SER C C 13 172.596 0.300 . 1 . . . . 15 SER C . 11248 1 115 . 1 1 15 15 SER CA C 13 57.846 0.300 . 1 . . . . 15 SER CA . 11248 1 116 . 1 1 15 15 SER CB C 13 65.072 0.300 . 1 . . . . 15 SER CB . 11248 1 117 . 1 1 15 15 SER N N 15 118.151 0.300 . 1 . . . . 15 SER N . 11248 1 118 . 1 1 16 16 VAL H H 1 8.128 0.030 . 1 . . . . 16 VAL H . 11248 1 119 . 1 1 16 16 VAL HA H 1 5.190 0.030 . 1 . . . . 16 VAL HA . 11248 1 120 . 1 1 16 16 VAL HB H 1 1.896 0.030 . 1 . . . . 16 VAL HB . 11248 1 121 . 1 1 16 16 VAL HG11 H 1 0.822 0.030 . 1 . . . . 16 VAL HG1 . 11248 1 122 . 1 1 16 16 VAL HG12 H 1 0.822 0.030 . 1 . . . . 16 VAL HG1 . 11248 1 123 . 1 1 16 16 VAL HG13 H 1 0.822 0.030 . 1 . . . . 16 VAL HG1 . 11248 1 124 . 1 1 16 16 VAL HG21 H 1 0.906 0.030 . 1 . . . . 16 VAL HG2 . 11248 1 125 . 1 1 16 16 VAL HG22 H 1 0.906 0.030 . 1 . . . . 16 VAL HG2 . 11248 1 126 . 1 1 16 16 VAL HG23 H 1 0.906 0.030 . 1 . . . . 16 VAL HG2 . 11248 1 127 . 1 1 16 16 VAL C C 13 176.190 0.300 . 1 . . . . 16 VAL C . 11248 1 128 . 1 1 16 16 VAL CA C 13 60.882 0.300 . 1 . . . . 16 VAL CA . 11248 1 129 . 1 1 16 16 VAL CB C 13 34.058 0.300 . 1 . . . . 16 VAL CB . 11248 1 130 . 1 1 16 16 VAL CG1 C 13 21.597 0.300 . 2 . . . . 16 VAL CG1 . 11248 1 131 . 1 1 16 16 VAL CG2 C 13 20.911 0.300 . 2 . . . . 16 VAL CG2 . 11248 1 132 . 1 1 16 16 VAL N N 15 121.319 0.300 . 1 . . . . 16 VAL N . 11248 1 133 . 1 1 17 17 THR H H 1 8.879 0.030 . 1 . . . . 17 THR H . 11248 1 134 . 1 1 17 17 THR HA H 1 4.552 0.030 . 1 . . . . 17 THR HA . 11248 1 135 . 1 1 17 17 THR HB H 1 3.829 0.030 . 1 . . . . 17 THR HB . 11248 1 136 . 1 1 17 17 THR HG21 H 1 1.161 0.030 . 1 . . . . 17 THR HG2 . 11248 1 137 . 1 1 17 17 THR HG22 H 1 1.161 0.030 . 1 . . . . 17 THR HG2 . 11248 1 138 . 1 1 17 17 THR HG23 H 1 1.161 0.030 . 1 . . . . 17 THR HG2 . 11248 1 139 . 1 1 17 17 THR C C 13 171.516 0.300 . 1 . . . . 17 THR C . 11248 1 140 . 1 1 17 17 THR CA C 13 61.289 0.300 . 1 . . . . 17 THR CA . 11248 1 141 . 1 1 17 17 THR CB C 13 71.759 0.300 . 1 . . . . 17 THR CB . 11248 1 142 . 1 1 17 17 THR CG2 C 13 21.634 0.300 . 1 . . . . 17 THR CG2 . 11248 1 143 . 1 1 17 17 THR N N 15 120.799 0.300 . 1 . . . . 17 THR N . 11248 1 144 . 1 1 18 18 LEU H H 1 8.551 0.030 . 1 . . . . 18 LEU H . 11248 1 145 . 1 1 18 18 LEU HA H 1 5.164 0.030 . 1 . . . . 18 LEU HA . 11248 1 146 . 1 1 18 18 LEU HB2 H 1 1.841 0.030 . 2 . . . . 18 LEU HB2 . 11248 1 147 . 1 1 18 18 LEU HB3 H 1 1.289 0.030 . 2 . . . . 18 LEU HB3 . 11248 1 148 . 1 1 18 18 LEU HD11 H 1 0.768 0.030 . 1 . . . . 18 LEU HD1 . 11248 1 149 . 1 1 18 18 LEU HD12 H 1 0.768 0.030 . 1 . . . . 18 LEU HD1 . 11248 1 150 . 1 1 18 18 LEU HD13 H 1 0.768 0.030 . 1 . . . . 18 LEU HD1 . 11248 1 151 . 1 1 18 18 LEU HD21 H 1 0.806 0.030 . 1 . . . . 18 LEU HD2 . 11248 1 152 . 1 1 18 18 LEU HD22 H 1 0.806 0.030 . 1 . . . . 18 LEU HD2 . 11248 1 153 . 1 1 18 18 LEU HD23 H 1 0.806 0.030 . 1 . . . . 18 LEU HD2 . 11248 1 154 . 1 1 18 18 LEU HG H 1 1.304 0.030 . 1 . . . . 18 LEU HG . 11248 1 155 . 1 1 18 18 LEU C C 13 176.048 0.300 . 1 . . . . 18 LEU C . 11248 1 156 . 1 1 18 18 LEU CA C 13 53.857 0.300 . 1 . . . . 18 LEU CA . 11248 1 157 . 1 1 18 18 LEU CB C 13 43.160 0.300 . 1 . . . . 18 LEU CB . 11248 1 158 . 1 1 18 18 LEU CD1 C 13 23.599 0.300 . 2 . . . . 18 LEU CD1 . 11248 1 159 . 1 1 18 18 LEU CD2 C 13 25.473 0.300 . 2 . . . . 18 LEU CD2 . 11248 1 160 . 1 1 18 18 LEU CG C 13 27.292 0.300 . 1 . . . . 18 LEU CG . 11248 1 161 . 1 1 18 18 LEU N N 15 128.692 0.300 . 1 . . . . 18 LEU N . 11248 1 162 . 1 1 19 19 ILE H H 1 9.274 0.030 . 1 . . . . 19 ILE H . 11248 1 163 . 1 1 19 19 ILE HA H 1 4.643 0.030 . 1 . . . . 19 ILE HA . 11248 1 164 . 1 1 19 19 ILE HB H 1 1.778 0.030 . 1 . . . . 19 ILE HB . 11248 1 165 . 1 1 19 19 ILE HD11 H 1 0.634 0.030 . 1 . . . . 19 ILE HD1 . 11248 1 166 . 1 1 19 19 ILE HD12 H 1 0.634 0.030 . 1 . . . . 19 ILE HD1 . 11248 1 167 . 1 1 19 19 ILE HD13 H 1 0.634 0.030 . 1 . . . . 19 ILE HD1 . 11248 1 168 . 1 1 19 19 ILE HG12 H 1 1.131 0.030 . 2 . . . . 19 ILE HG12 . 11248 1 169 . 1 1 19 19 ILE HG13 H 1 1.287 0.030 . 2 . . . . 19 ILE HG13 . 11248 1 170 . 1 1 19 19 ILE HG21 H 1 0.754 0.030 . 1 . . . . 19 ILE HG2 . 11248 1 171 . 1 1 19 19 ILE HG22 H 1 0.754 0.030 . 1 . . . . 19 ILE HG2 . 11248 1 172 . 1 1 19 19 ILE HG23 H 1 0.754 0.030 . 1 . . . . 19 ILE HG2 . 11248 1 173 . 1 1 19 19 ILE C C 13 174.257 0.300 . 1 . . . . 19 ILE C . 11248 1 174 . 1 1 19 19 ILE CA C 13 58.966 0.300 . 1 . . . . 19 ILE CA . 11248 1 175 . 1 1 19 19 ILE CB C 13 40.748 0.300 . 1 . . . . 19 ILE CB . 11248 1 176 . 1 1 19 19 ILE CD1 C 13 13.602 0.300 . 1 . . . . 19 ILE CD1 . 11248 1 177 . 1 1 19 19 ILE CG1 C 13 26.670 0.300 . 1 . . . . 19 ILE CG1 . 11248 1 178 . 1 1 19 19 ILE CG2 C 13 17.711 0.300 . 1 . . . . 19 ILE CG2 . 11248 1 179 . 1 1 19 19 ILE N N 15 103.757 0.300 . 1 . . . . 19 ILE N . 11248 1 180 . 1 1 20 20 SER H H 1 8.806 0.030 . 1 . . . . 20 SER H . 11248 1 181 . 1 1 20 20 SER HA H 1 5.128 0.030 . 1 . . . . 20 SER HA . 11248 1 182 . 1 1 20 20 SER HB2 H 1 3.685 0.030 . 2 . . . . 20 SER HB2 . 11248 1 183 . 1 1 20 20 SER HB3 H 1 3.624 0.030 . 2 . . . . 20 SER HB3 . 11248 1 184 . 1 1 20 20 SER C C 13 173.982 0.300 . 1 . . . . 20 SER C . 11248 1 185 . 1 1 20 20 SER CA C 13 56.845 0.300 . 1 . . . . 20 SER CA . 11248 1 186 . 1 1 20 20 SER CB C 13 64.240 0.300 . 1 . . . . 20 SER CB . 11248 1 187 . 1 1 20 20 SER N N 15 119.273 0.300 . 1 . . . . 20 SER N . 11248 1 188 . 1 1 21 21 MET H H 1 9.472 0.030 . 1 . . . . 21 MET H . 11248 1 189 . 1 1 21 21 MET HA H 1 5.047 0.030 . 1 . . . . 21 MET HA . 11248 1 190 . 1 1 21 21 MET HB2 H 1 2.158 0.030 . 2 . . . . 21 MET HB2 . 11248 1 191 . 1 1 21 21 MET HB3 H 1 2.345 0.030 . 2 . . . . 21 MET HB3 . 11248 1 192 . 1 1 21 21 MET HE1 H 1 1.941 0.030 . 1 . . . . 21 MET HE . 11248 1 193 . 1 1 21 21 MET HE2 H 1 1.941 0.030 . 1 . . . . 21 MET HE . 11248 1 194 . 1 1 21 21 MET HE3 H 1 1.941 0.030 . 1 . . . . 21 MET HE . 11248 1 195 . 1 1 21 21 MET HG2 H 1 2.510 0.030 . 1 . . . . 21 MET HG2 . 11248 1 196 . 1 1 21 21 MET HG3 H 1 2.510 0.030 . 1 . . . . 21 MET HG3 . 11248 1 197 . 1 1 21 21 MET C C 13 173.336 0.300 . 1 . . . . 21 MET C . 11248 1 198 . 1 1 21 21 MET CA C 13 52.364 0.300 . 1 . . . . 21 MET CA . 11248 1 199 . 1 1 21 21 MET CB C 13 33.306 0.300 . 1 . . . . 21 MET CB . 11248 1 200 . 1 1 21 21 MET CE C 13 18.193 0.300 . 1 . . . . 21 MET CE . 11248 1 201 . 1 1 21 21 MET CG C 13 33.038 0.300 . 1 . . . . 21 MET CG . 11248 1 202 . 1 1 21 21 MET N N 15 126.772 0.300 . 1 . . . . 21 MET N . 11248 1 203 . 1 1 22 22 PRO HA H 1 4.550 0.030 . 1 . . . . 22 PRO HA . 11248 1 204 . 1 1 22 22 PRO HB2 H 1 2.320 0.030 . 2 . . . . 22 PRO HB2 . 11248 1 205 . 1 1 22 22 PRO HB3 H 1 2.092 0.030 . 2 . . . . 22 PRO HB3 . 11248 1 206 . 1 1 22 22 PRO HD2 H 1 3.942 0.030 . 2 . . . . 22 PRO HD2 . 11248 1 207 . 1 1 22 22 PRO HD3 H 1 3.885 0.030 . 2 . . . . 22 PRO HD3 . 11248 1 208 . 1 1 22 22 PRO HG2 H 1 2.050 0.030 . 2 . . . . 22 PRO HG2 . 11248 1 209 . 1 1 22 22 PRO HG3 H 1 1.974 0.030 . 2 . . . . 22 PRO HG3 . 11248 1 210 . 1 1 22 22 PRO C C 13 176.290 0.300 . 1 . . . . 22 PRO C . 11248 1 211 . 1 1 22 22 PRO CA C 13 62.258 0.300 . 1 . . . . 22 PRO CA . 11248 1 212 . 1 1 22 22 PRO CB C 13 32.800 0.300 . 1 . . . . 22 PRO CB . 11248 1 213 . 1 1 22 22 PRO CD C 13 51.273 0.300 . 1 . . . . 22 PRO CD . 11248 1 214 . 1 1 22 22 PRO CG C 13 26.925 0.300 . 1 . . . . 22 PRO CG . 11248 1 215 . 1 1 23 23 ALA H H 1 8.251 0.030 . 1 . . . . 23 ALA H . 11248 1 216 . 1 1 23 23 ALA HA H 1 4.183 0.030 . 1 . . . . 23 ALA HA . 11248 1 217 . 1 1 23 23 ALA HB1 H 1 1.181 0.030 . 1 . . . . 23 ALA HB . 11248 1 218 . 1 1 23 23 ALA HB2 H 1 1.181 0.030 . 1 . . . . 23 ALA HB . 11248 1 219 . 1 1 23 23 ALA HB3 H 1 1.181 0.030 . 1 . . . . 23 ALA HB . 11248 1 220 . 1 1 23 23 ALA C C 13 177.363 0.300 . 1 . . . . 23 ALA C . 11248 1 221 . 1 1 23 23 ALA CA C 13 52.782 0.300 . 1 . . . . 23 ALA CA . 11248 1 222 . 1 1 23 23 ALA CB C 13 19.164 0.300 . 1 . . . . 23 ALA CB . 11248 1 223 . 1 1 23 23 ALA N N 15 123.523 0.300 . 1 . . . . 23 ALA N . 11248 1 224 . 1 1 24 24 THR H H 1 8.690 0.030 . 1 . . . . 24 THR H . 11248 1 225 . 1 1 24 24 THR HA H 1 4.875 0.030 . 1 . . . . 24 THR HA . 11248 1 226 . 1 1 24 24 THR HB H 1 4.268 0.030 . 1 . . . . 24 THR HB . 11248 1 227 . 1 1 24 24 THR HG21 H 1 1.238 0.030 . 1 . . . . 24 THR HG2 . 11248 1 228 . 1 1 24 24 THR HG22 H 1 1.238 0.030 . 1 . . . . 24 THR HG2 . 11248 1 229 . 1 1 24 24 THR HG23 H 1 1.238 0.030 . 1 . . . . 24 THR HG2 . 11248 1 230 . 1 1 24 24 THR C C 13 173.509 0.300 . 1 . . . . 24 THR C . 11248 1 231 . 1 1 24 24 THR CA C 13 59.083 0.300 . 1 . . . . 24 THR CA . 11248 1 232 . 1 1 24 24 THR CB C 13 70.334 0.300 . 1 . . . . 24 THR CB . 11248 1 233 . 1 1 24 24 THR CG2 C 13 20.297 0.300 . 1 . . . . 24 THR CG2 . 11248 1 234 . 1 1 24 24 THR N N 15 114.857 0.300 . 1 . . . . 24 THR N . 11248 1 235 . 1 1 25 25 THR H H 1 8.179 0.030 . 1 . . . . 25 THR H . 11248 1 236 . 1 1 25 25 THR HA H 1 4.276 0.030 . 1 . . . . 25 THR HA . 11248 1 237 . 1 1 25 25 THR HB H 1 4.391 0.030 . 1 . . . . 25 THR HB . 11248 1 238 . 1 1 25 25 THR HG21 H 1 1.221 0.030 . 1 . . . . 25 THR HG2 . 11248 1 239 . 1 1 25 25 THR HG22 H 1 1.221 0.030 . 1 . . . . 25 THR HG2 . 11248 1 240 . 1 1 25 25 THR HG23 H 1 1.221 0.030 . 1 . . . . 25 THR HG2 . 11248 1 241 . 1 1 25 25 THR C C 13 175.912 0.300 . 1 . . . . 25 THR C . 11248 1 242 . 1 1 25 25 THR CA C 13 62.329 0.300 . 1 . . . . 25 THR CA . 11248 1 243 . 1 1 25 25 THR CB C 13 68.871 0.300 . 1 . . . . 25 THR CB . 11248 1 244 . 1 1 25 25 THR CG2 C 13 21.807 0.300 . 1 . . . . 25 THR CG2 . 11248 1 245 . 1 1 25 25 THR N N 15 114.693 0.300 . 1 . . . . 25 THR N . 11248 1 246 . 1 1 26 26 GLU H H 1 8.267 0.030 . 1 . . . . 26 GLU H . 11248 1 247 . 1 1 26 26 GLU HA H 1 4.279 0.030 . 1 . . . . 26 GLU HA . 11248 1 248 . 1 1 26 26 GLU HB2 H 1 1.963 0.030 . 2 . . . . 26 GLU HB2 . 11248 1 249 . 1 1 26 26 GLU HB3 H 1 2.175 0.030 . 2 . . . . 26 GLU HB3 . 11248 1 250 . 1 1 26 26 GLU HG2 H 1 2.341 0.030 . 2 . . . . 26 GLU HG2 . 11248 1 251 . 1 1 26 26 GLU HG3 H 1 2.295 0.030 . 2 . . . . 26 GLU HG3 . 11248 1 252 . 1 1 26 26 GLU C C 13 176.371 0.300 . 1 . . . . 26 GLU C . 11248 1 253 . 1 1 26 26 GLU CA C 13 56.611 0.300 . 1 . . . . 26 GLU CA . 11248 1 254 . 1 1 26 26 GLU CB C 13 30.234 0.300 . 1 . . . . 26 GLU CB . 11248 1 255 . 1 1 26 26 GLU CG C 13 36.296 0.300 . 1 . . . . 26 GLU CG . 11248 1 256 . 1 1 26 26 GLU N N 15 122.151 0.300 . 1 . . . . 26 GLU N . 11248 1 257 . 1 1 27 27 CYS H H 1 8.388 0.030 . 1 . . . . 27 CYS H . 11248 1 258 . 1 1 27 27 CYS HA H 1 4.373 0.030 . 1 . . . . 27 CYS HA . 11248 1 259 . 1 1 27 27 CYS HB2 H 1 3.001 0.030 . 1 . . . . 27 CYS HB2 . 11248 1 260 . 1 1 27 27 CYS HB3 H 1 3.001 0.030 . 1 . . . . 27 CYS HB3 . 11248 1 261 . 1 1 27 27 CYS C C 13 174.490 0.300 . 1 . . . . 27 CYS C . 11248 1 262 . 1 1 27 27 CYS CA C 13 59.535 0.300 . 1 . . . . 27 CYS CA . 11248 1 263 . 1 1 27 27 CYS CB C 13 27.517 0.300 . 1 . . . . 27 CYS CB . 11248 1 264 . 1 1 27 27 CYS N N 15 116.964 0.300 . 1 . . . . 27 CYS N . 11248 1 265 . 1 1 28 28 ARG H H 1 7.745 0.030 . 1 . . . . 28 ARG H . 11248 1 266 . 1 1 28 28 ARG HA H 1 4.458 0.030 . 1 . . . . 28 ARG HA . 11248 1 267 . 1 1 28 28 ARG HB2 H 1 1.822 0.030 . 2 . . . . 28 ARG HB2 . 11248 1 268 . 1 1 28 28 ARG HB3 H 1 1.641 0.030 . 2 . . . . 28 ARG HB3 . 11248 1 269 . 1 1 28 28 ARG HD2 H 1 2.987 0.030 . 2 . . . . 28 ARG HD2 . 11248 1 270 . 1 1 28 28 ARG HD3 H 1 3.041 0.030 . 2 . . . . 28 ARG HD3 . 11248 1 271 . 1 1 28 28 ARG HG2 H 1 1.486 0.030 . 1 . . . . 28 ARG HG2 . 11248 1 272 . 1 1 28 28 ARG HG3 H 1 1.486 0.030 . 1 . . . . 28 ARG HG3 . 11248 1 273 . 1 1 28 28 ARG C C 13 175.570 0.300 . 1 . . . . 28 ARG C . 11248 1 274 . 1 1 28 28 ARG CA C 13 54.871 0.300 . 1 . . . . 28 ARG CA . 11248 1 275 . 1 1 28 28 ARG CB C 13 31.642 0.300 . 1 . . . . 28 ARG CB . 11248 1 276 . 1 1 28 28 ARG CD C 13 43.160 0.300 . 1 . . . . 28 ARG CD . 11248 1 277 . 1 1 28 28 ARG CG C 13 26.677 0.300 . 1 . . . . 28 ARG CG . 11248 1 278 . 1 1 28 28 ARG N N 15 118.631 0.300 . 1 . . . . 28 ARG N . 11248 1 279 . 1 1 29 29 ARG H H 1 8.690 0.030 . 1 . . . . 29 ARG H . 11248 1 280 . 1 1 29 29 ARG HA H 1 4.286 0.030 . 1 . . . . 29 ARG HA . 11248 1 281 . 1 1 29 29 ARG HB2 H 1 1.734 0.030 . 2 . . . . 29 ARG HB2 . 11248 1 282 . 1 1 29 29 ARG HB3 H 1 1.667 0.030 . 2 . . . . 29 ARG HB3 . 11248 1 283 . 1 1 29 29 ARG HD2 H 1 3.274 0.030 . 2 . . . . 29 ARG HD2 . 11248 1 284 . 1 1 29 29 ARG HD3 H 1 3.142 0.030 . 2 . . . . 29 ARG HD3 . 11248 1 285 . 1 1 29 29 ARG HG2 H 1 1.547 0.030 . 2 . . . . 29 ARG HG2 . 11248 1 286 . 1 1 29 29 ARG HG3 H 1 1.623 0.030 . 2 . . . . 29 ARG HG3 . 11248 1 287 . 1 1 29 29 ARG C C 13 177.085 0.300 . 1 . . . . 29 ARG C . 11248 1 288 . 1 1 29 29 ARG CA C 13 55.967 0.300 . 1 . . . . 29 ARG CA . 11248 1 289 . 1 1 29 29 ARG CB C 13 30.996 0.300 . 1 . . . . 29 ARG CB . 11248 1 290 . 1 1 29 29 ARG CD C 13 43.289 0.300 . 1 . . . . 29 ARG CD . 11248 1 291 . 1 1 29 29 ARG CG C 13 27.403 0.300 . 1 . . . . 29 ARG CG . 11248 1 292 . 1 1 30 30 GLY H H 1 8.529 0.030 . 1 . . . . 30 GLY H . 11248 1 293 . 1 1 30 30 GLY HA2 H 1 3.998 0.030 . 1 . . . . 30 GLY HA2 . 11248 1 294 . 1 1 30 30 GLY HA3 H 1 3.998 0.030 . 1 . . . . 30 GLY HA3 . 11248 1 295 . 1 1 30 30 GLY C C 13 171.842 0.300 . 1 . . . . 30 GLY C . 11248 1 296 . 1 1 30 30 GLY CA C 13 46.335 0.300 . 1 . . . . 30 GLY CA . 11248 1 297 . 1 1 30 30 GLY N N 15 105.753 0.300 . 1 . . . . 30 GLY N . 11248 1 298 . 1 1 31 31 PHE H H 1 7.102 0.030 . 1 . . . . 31 PHE H . 11248 1 299 . 1 1 31 31 PHE HA H 1 5.332 0.030 . 1 . . . . 31 PHE HA . 11248 1 300 . 1 1 31 31 PHE HB2 H 1 3.254 0.030 . 2 . . . . 31 PHE HB2 . 11248 1 301 . 1 1 31 31 PHE HB3 H 1 3.030 0.030 . 2 . . . . 31 PHE HB3 . 11248 1 302 . 1 1 31 31 PHE HD1 H 1 6.891 0.030 . 1 . . . . 31 PHE HD1 . 11248 1 303 . 1 1 31 31 PHE HD2 H 1 6.891 0.030 . 1 . . . . 31 PHE HD2 . 11248 1 304 . 1 1 31 31 PHE HE1 H 1 6.975 0.030 . 1 . . . . 31 PHE HE1 . 11248 1 305 . 1 1 31 31 PHE HE2 H 1 6.975 0.030 . 1 . . . . 31 PHE HE2 . 11248 1 306 . 1 1 31 31 PHE HZ H 1 6.921 0.030 . 1 . . . . 31 PHE HZ . 11248 1 307 . 1 1 31 31 PHE C C 13 172.013 0.300 . 1 . . . . 31 PHE C . 11248 1 308 . 1 1 31 31 PHE CA C 13 55.573 0.300 . 1 . . . . 31 PHE CA . 11248 1 309 . 1 1 31 31 PHE CB C 13 41.151 0.300 . 1 . . . . 31 PHE CB . 11248 1 310 . 1 1 31 31 PHE CD1 C 13 131.627 0.300 . 1 . . . . 31 PHE CD1 . 11248 1 311 . 1 1 31 31 PHE CD2 C 13 131.627 0.300 . 1 . . . . 31 PHE CD2 . 11248 1 312 . 1 1 31 31 PHE CE1 C 13 130.117 0.300 . 1 . . . . 31 PHE CE1 . 11248 1 313 . 1 1 31 31 PHE CE2 C 13 130.117 0.300 . 1 . . . . 31 PHE CE2 . 11248 1 314 . 1 1 31 31 PHE CZ C 13 128.657 0.300 . 1 . . . . 31 PHE CZ . 11248 1 315 . 1 1 31 31 PHE N N 15 113.873 0.300 . 1 . . . . 31 PHE N . 11248 1 316 . 1 1 32 32 SER H H 1 8.632 0.030 . 1 . . . . 32 SER H . 11248 1 317 . 1 1 32 32 SER HA H 1 4.731 0.030 . 1 . . . . 32 SER HA . 11248 1 318 . 1 1 32 32 SER HB2 H 1 3.976 0.030 . 2 . . . . 32 SER HB2 . 11248 1 319 . 1 1 32 32 SER HB3 H 1 3.821 0.030 . 2 . . . . 32 SER HB3 . 11248 1 320 . 1 1 32 32 SER C C 13 174.726 0.300 . 1 . . . . 32 SER C . 11248 1 321 . 1 1 32 32 SER CA C 13 55.558 0.300 . 1 . . . . 32 SER CA . 11248 1 322 . 1 1 32 32 SER CB C 13 66.480 0.300 . 1 . . . . 32 SER CB . 11248 1 323 . 1 1 32 32 SER N N 15 114.075 0.300 . 1 . . . . 32 SER N . 11248 1 324 . 1 1 33 33 VAL H H 1 8.825 0.030 . 1 . . . . 33 VAL H . 11248 1 325 . 1 1 33 33 VAL HA H 1 5.523 0.030 . 1 . . . . 33 VAL HA . 11248 1 326 . 1 1 33 33 VAL HB H 1 2.088 0.030 . 1 . . . . 33 VAL HB . 11248 1 327 . 1 1 33 33 VAL HG11 H 1 0.829 0.030 . 1 . . . . 33 VAL HG1 . 11248 1 328 . 1 1 33 33 VAL HG12 H 1 0.829 0.030 . 1 . . . . 33 VAL HG1 . 11248 1 329 . 1 1 33 33 VAL HG13 H 1 0.829 0.030 . 1 . . . . 33 VAL HG1 . 11248 1 330 . 1 1 33 33 VAL HG21 H 1 0.680 0.030 . 1 . . . . 33 VAL HG2 . 11248 1 331 . 1 1 33 33 VAL HG22 H 1 0.680 0.030 . 1 . . . . 33 VAL HG2 . 11248 1 332 . 1 1 33 33 VAL HG23 H 1 0.680 0.030 . 1 . . . . 33 VAL HG2 . 11248 1 333 . 1 1 33 33 VAL C C 13 175.168 0.300 . 1 . . . . 33 VAL C . 11248 1 334 . 1 1 33 33 VAL CA C 13 58.948 0.300 . 1 . . . . 33 VAL CA . 11248 1 335 . 1 1 33 33 VAL CB C 13 35.797 0.300 . 1 . . . . 33 VAL CB . 11248 1 336 . 1 1 33 33 VAL CG1 C 13 22.649 0.300 . 2 . . . . 33 VAL CG1 . 11248 1 337 . 1 1 33 33 VAL CG2 C 13 18.097 0.300 . 2 . . . . 33 VAL CG2 . 11248 1 338 . 1 1 33 33 VAL N N 15 112.543 0.300 . 1 . . . . 33 VAL N . 11248 1 339 . 1 1 34 34 THR H H 1 9.259 0.030 . 1 . . . . 34 THR H . 11248 1 340 . 1 1 34 34 THR HA H 1 4.577 0.030 . 1 . . . . 34 THR HA . 11248 1 341 . 1 1 34 34 THR HB H 1 3.974 0.030 . 1 . . . . 34 THR HB . 11248 1 342 . 1 1 34 34 THR HG21 H 1 1.191 0.030 . 1 . . . . 34 THR HG2 . 11248 1 343 . 1 1 34 34 THR HG22 H 1 1.191 0.030 . 1 . . . . 34 THR HG2 . 11248 1 344 . 1 1 34 34 THR HG23 H 1 1.191 0.030 . 1 . . . . 34 THR HG2 . 11248 1 345 . 1 1 34 34 THR C C 13 173.430 0.300 . 1 . . . . 34 THR C . 11248 1 346 . 1 1 34 34 THR CA C 13 61.220 0.300 . 1 . . . . 34 THR CA . 11248 1 347 . 1 1 34 34 THR CB C 13 70.703 0.300 . 1 . . . . 34 THR CB . 11248 1 348 . 1 1 34 34 THR CG2 C 13 22.064 0.300 . 1 . . . . 34 THR CG2 . 11248 1 349 . 1 1 34 34 THR N N 15 116.808 0.300 . 1 . . . . 34 THR N . 11248 1 350 . 1 1 35 35 VAL H H 1 8.966 0.030 . 1 . . . . 35 VAL H . 11248 1 351 . 1 1 35 35 VAL HA H 1 4.769 0.030 . 1 . . . . 35 VAL HA . 11248 1 352 . 1 1 35 35 VAL HB H 1 2.122 0.030 . 1 . . . . 35 VAL HB . 11248 1 353 . 1 1 35 35 VAL HG11 H 1 0.986 0.030 . 1 . . . . 35 VAL HG1 . 11248 1 354 . 1 1 35 35 VAL HG12 H 1 0.986 0.030 . 1 . . . . 35 VAL HG1 . 11248 1 355 . 1 1 35 35 VAL HG13 H 1 0.986 0.030 . 1 . . . . 35 VAL HG1 . 11248 1 356 . 1 1 35 35 VAL HG21 H 1 0.955 0.030 . 1 . . . . 35 VAL HG2 . 11248 1 357 . 1 1 35 35 VAL HG22 H 1 0.955 0.030 . 1 . . . . 35 VAL HG2 . 11248 1 358 . 1 1 35 35 VAL HG23 H 1 0.955 0.030 . 1 . . . . 35 VAL HG2 . 11248 1 359 . 1 1 35 35 VAL C C 13 175.447 0.300 . 1 . . . . 35 VAL C . 11248 1 360 . 1 1 35 35 VAL CA C 13 61.230 0.300 . 1 . . . . 35 VAL CA . 11248 1 361 . 1 1 35 35 VAL CB C 13 33.225 0.300 . 1 . . . . 35 VAL CB . 11248 1 362 . 1 1 35 35 VAL CG1 C 13 22.954 0.300 . 2 . . . . 35 VAL CG1 . 11248 1 363 . 1 1 35 35 VAL CG2 C 13 21.968 0.300 . 2 . . . . 35 VAL CG2 . 11248 1 364 . 1 1 35 35 VAL N N 15 126.719 0.300 . 1 . . . . 35 VAL N . 11248 1 365 . 1 1 36 36 GLU H H 1 8.758 0.030 . 1 . . . . 36 GLU H . 11248 1 366 . 1 1 36 36 GLU HA H 1 4.682 0.030 . 1 . . . . 36 GLU HA . 11248 1 367 . 1 1 36 36 GLU HB2 H 1 2.072 0.030 . 2 . . . . 36 GLU HB2 . 11248 1 368 . 1 1 36 36 GLU HB3 H 1 1.927 0.030 . 2 . . . . 36 GLU HB3 . 11248 1 369 . 1 1 36 36 GLU HG2 H 1 2.237 0.030 . 2 . . . . 36 GLU HG2 . 11248 1 370 . 1 1 36 36 GLU HG3 H 1 2.178 0.030 . 2 . . . . 36 GLU HG3 . 11248 1 371 . 1 1 36 36 GLU C C 13 175.279 0.300 . 1 . . . . 36 GLU C . 11248 1 372 . 1 1 36 36 GLU CA C 13 55.087 0.300 . 1 . . . . 36 GLU CA . 11248 1 373 . 1 1 36 36 GLU CB C 13 31.809 0.300 . 1 . . . . 36 GLU CB . 11248 1 374 . 1 1 36 36 GLU CG C 13 36.203 0.300 . 1 . . . . 36 GLU CG . 11248 1 375 . 1 1 36 36 GLU N N 15 128.300 0.300 . 1 . . . . 36 GLU N . 11248 1 376 . 1 1 37 37 SER H H 1 8.758 0.030 . 1 . . . . 37 SER H . 11248 1 377 . 1 1 37 37 SER HA H 1 4.987 0.030 . 1 . . . . 37 SER HA . 11248 1 378 . 1 1 37 37 SER HB2 H 1 3.730 0.030 . 2 . . . . 37 SER HB2 . 11248 1 379 . 1 1 37 37 SER HB3 H 1 3.596 0.030 . 2 . . . . 37 SER HB3 . 11248 1 380 . 1 1 37 37 SER C C 13 174.214 0.300 . 1 . . . . 37 SER C . 11248 1 381 . 1 1 37 37 SER CA C 13 57.131 0.300 . 1 . . . . 37 SER CA . 11248 1 382 . 1 1 37 37 SER CB C 13 65.658 0.300 . 1 . . . . 37 SER CB . 11248 1 383 . 1 1 37 37 SER N N 15 117.126 0.300 . 1 . . . . 37 SER N . 11248 1 384 . 1 1 38 38 ALA H H 1 8.821 0.030 . 1 . . . . 38 ALA H . 11248 1 385 . 1 1 38 38 ALA HA H 1 4.588 0.030 . 1 . . . . 38 ALA HA . 11248 1 386 . 1 1 38 38 ALA HB1 H 1 1.520 0.030 . 1 . . . . 38 ALA HB . 11248 1 387 . 1 1 38 38 ALA HB2 H 1 1.520 0.030 . 1 . . . . 38 ALA HB . 11248 1 388 . 1 1 38 38 ALA HB3 H 1 1.520 0.030 . 1 . . . . 38 ALA HB . 11248 1 389 . 1 1 38 38 ALA C C 13 178.244 0.300 . 1 . . . . 38 ALA C . 11248 1 390 . 1 1 38 38 ALA CA C 13 52.257 0.300 . 1 . . . . 38 ALA CA . 11248 1 391 . 1 1 38 38 ALA CB C 13 19.561 0.300 . 1 . . . . 38 ALA CB . 11248 1 392 . 1 1 38 38 ALA N N 15 127.198 0.300 . 1 . . . . 38 ALA N . 11248 1 393 . 1 1 39 39 SER H H 1 8.418 0.030 . 1 . . . . 39 SER H . 11248 1 394 . 1 1 39 39 SER HA H 1 4.375 0.030 . 1 . . . . 39 SER HA . 11248 1 395 . 1 1 39 39 SER HB2 H 1 3.992 0.030 . 1 . . . . 39 SER HB2 . 11248 1 396 . 1 1 39 39 SER HB3 H 1 3.992 0.030 . 1 . . . . 39 SER HB3 . 11248 1 397 . 1 1 39 39 SER C C 13 174.276 0.300 . 1 . . . . 39 SER C . 11248 1 398 . 1 1 39 39 SER CA C 13 59.415 0.300 . 1 . . . . 39 SER CA . 11248 1 399 . 1 1 39 39 SER CB C 13 63.081 0.300 . 1 . . . . 39 SER CB . 11248 1 400 . 1 1 40 40 SER H H 1 8.109 0.030 . 1 . . . . 40 SER H . 11248 1 401 . 1 1 40 40 SER HA H 1 4.363 0.030 . 1 . . . . 40 SER HA . 11248 1 402 . 1 1 40 40 SER HB2 H 1 4.127 0.030 . 2 . . . . 40 SER HB2 . 11248 1 403 . 1 1 40 40 SER HB3 H 1 3.999 0.030 . 2 . . . . 40 SER HB3 . 11248 1 404 . 1 1 40 40 SER C C 13 173.740 0.300 . 1 . . . . 40 SER C . 11248 1 405 . 1 1 40 40 SER CA C 13 58.271 0.300 . 1 . . . . 40 SER CA . 11248 1 406 . 1 1 40 40 SER CB C 13 63.740 0.300 . 1 . . . . 40 SER CB . 11248 1 407 . 1 1 40 40 SER N N 15 115.183 0.300 . 1 . . . . 40 SER N . 11248 1 408 . 1 1 41 41 ASN H H 1 8.469 0.030 . 1 . . . . 41 ASN H . 11248 1 409 . 1 1 41 41 ASN HA H 1 4.540 0.030 . 1 . . . . 41 ASN HA . 11248 1 410 . 1 1 41 41 ASN HB2 H 1 2.904 0.030 . 2 . . . . 41 ASN HB2 . 11248 1 411 . 1 1 41 41 ASN HB3 H 1 2.762 0.030 . 2 . . . . 41 ASN HB3 . 11248 1 412 . 1 1 41 41 ASN HD21 H 1 7.445 0.030 . 2 . . . . 41 ASN HD21 . 11248 1 413 . 1 1 41 41 ASN HD22 H 1 7.095 0.030 . 2 . . . . 41 ASN HD22 . 11248 1 414 . 1 1 41 41 ASN C C 13 174.510 0.300 . 1 . . . . 41 ASN C . 11248 1 415 . 1 1 41 41 ASN CA C 13 54.430 0.300 . 1 . . . . 41 ASN CA . 11248 1 416 . 1 1 41 41 ASN CB C 13 38.235 0.300 . 1 . . . . 41 ASN CB . 11248 1 417 . 1 1 41 41 ASN N N 15 115.396 0.300 . 1 . . . . 41 ASN N . 11248 1 418 . 1 1 41 41 ASN ND2 N 15 112.615 0.300 . 1 . . . . 41 ASN ND2 . 11248 1 419 . 1 1 42 42 TYR H H 1 7.862 0.030 . 1 . . . . 42 TYR H . 11248 1 420 . 1 1 42 42 TYR HA H 1 4.728 0.030 . 1 . . . . 42 TYR HA . 11248 1 421 . 1 1 42 42 TYR HB2 H 1 3.053 0.030 . 2 . . . . 42 TYR HB2 . 11248 1 422 . 1 1 42 42 TYR HB3 H 1 2.685 0.030 . 2 . . . . 42 TYR HB3 . 11248 1 423 . 1 1 42 42 TYR HD1 H 1 6.935 0.030 . 1 . . . . 42 TYR HD1 . 11248 1 424 . 1 1 42 42 TYR HD2 H 1 6.935 0.030 . 1 . . . . 42 TYR HD2 . 11248 1 425 . 1 1 42 42 TYR HE1 H 1 6.793 0.030 . 1 . . . . 42 TYR HE1 . 11248 1 426 . 1 1 42 42 TYR HE2 H 1 6.793 0.030 . 1 . . . . 42 TYR HE2 . 11248 1 427 . 1 1 42 42 TYR C C 13 175.863 0.300 . 1 . . . . 42 TYR C . 11248 1 428 . 1 1 42 42 TYR CA C 13 58.593 0.300 . 1 . . . . 42 TYR CA . 11248 1 429 . 1 1 42 42 TYR CB C 13 39.800 0.300 . 1 . . . . 42 TYR CB . 11248 1 430 . 1 1 42 42 TYR CD1 C 13 132.758 0.300 . 1 . . . . 42 TYR CD1 . 11248 1 431 . 1 1 42 42 TYR CD2 C 13 132.758 0.300 . 1 . . . . 42 TYR CD2 . 11248 1 432 . 1 1 42 42 TYR CE1 C 13 117.854 0.300 . 1 . . . . 42 TYR CE1 . 11248 1 433 . 1 1 42 42 TYR CE2 C 13 117.854 0.300 . 1 . . . . 42 TYR CE2 . 11248 1 434 . 1 1 42 42 TYR N N 15 118.016 0.300 . 1 . . . . 42 TYR N . 11248 1 435 . 1 1 43 43 ALA H H 1 8.766 0.030 . 1 . . . . 43 ALA H . 11248 1 436 . 1 1 43 43 ALA HA H 1 4.174 0.030 . 1 . . . . 43 ALA HA . 11248 1 437 . 1 1 43 43 ALA HB1 H 1 1.177 0.030 . 1 . . . . 43 ALA HB . 11248 1 438 . 1 1 43 43 ALA HB2 H 1 1.177 0.030 . 1 . . . . 43 ALA HB . 11248 1 439 . 1 1 43 43 ALA HB3 H 1 1.177 0.030 . 1 . . . . 43 ALA HB . 11248 1 440 . 1 1 43 43 ALA C C 13 176.132 0.300 . 1 . . . . 43 ALA C . 11248 1 441 . 1 1 43 43 ALA CA C 13 52.220 0.300 . 1 . . . . 43 ALA CA . 11248 1 442 . 1 1 43 43 ALA CB C 13 18.571 0.300 . 1 . . . . 43 ALA CB . 11248 1 443 . 1 1 43 43 ALA N N 15 124.510 0.300 . 1 . . . . 43 ALA N . 11248 1 444 . 1 1 44 44 THR H H 1 8.772 0.030 . 1 . . . . 44 THR H . 11248 1 445 . 1 1 44 44 THR HA H 1 4.329 0.030 . 1 . . . . 44 THR HA . 11248 1 446 . 1 1 44 44 THR HB H 1 4.152 0.030 . 1 . . . . 44 THR HB . 11248 1 447 . 1 1 44 44 THR HG21 H 1 1.234 0.030 . 1 . . . . 44 THR HG2 . 11248 1 448 . 1 1 44 44 THR HG22 H 1 1.234 0.030 . 1 . . . . 44 THR HG2 . 11248 1 449 . 1 1 44 44 THR HG23 H 1 1.234 0.030 . 1 . . . . 44 THR HG2 . 11248 1 450 . 1 1 44 44 THR C C 13 175.490 0.300 . 1 . . . . 44 THR C . 11248 1 451 . 1 1 44 44 THR CA C 13 63.616 0.300 . 1 . . . . 44 THR CA . 11248 1 452 . 1 1 44 44 THR CB C 13 68.940 0.300 . 1 . . . . 44 THR CB . 11248 1 453 . 1 1 44 44 THR CG2 C 13 22.933 0.300 . 1 . . . . 44 THR CG2 . 11248 1 454 . 1 1 44 44 THR N N 15 112.698 0.300 . 1 . . . . 44 THR N . 11248 1 455 . 1 1 45 45 THR H H 1 7.639 0.030 . 1 . . . . 45 THR H . 11248 1 456 . 1 1 45 45 THR HA H 1 4.524 0.030 . 1 . . . . 45 THR HA . 11248 1 457 . 1 1 45 45 THR HB H 1 3.965 0.030 . 1 . . . . 45 THR HB . 11248 1 458 . 1 1 45 45 THR HG21 H 1 1.162 0.030 . 1 . . . . 45 THR HG2 . 11248 1 459 . 1 1 45 45 THR HG22 H 1 1.162 0.030 . 1 . . . . 45 THR HG2 . 11248 1 460 . 1 1 45 45 THR HG23 H 1 1.162 0.030 . 1 . . . . 45 THR HG2 . 11248 1 461 . 1 1 45 45 THR C C 13 172.592 0.300 . 1 . . . . 45 THR C . 11248 1 462 . 1 1 45 45 THR CA C 13 61.504 0.300 . 1 . . . . 45 THR CA . 11248 1 463 . 1 1 45 45 THR CB C 13 71.959 0.300 . 1 . . . . 45 THR CB . 11248 1 464 . 1 1 45 45 THR CG2 C 13 21.948 0.300 . 1 . . . . 45 THR CG2 . 11248 1 465 . 1 1 45 45 THR N N 15 114.271 0.300 . 1 . . . . 45 THR N . 11248 1 466 . 1 1 46 46 VAL H H 1 9.302 0.030 . 1 . . . . 46 VAL H . 11248 1 467 . 1 1 46 46 VAL HA H 1 4.792 0.030 . 1 . . . . 46 VAL HA . 11248 1 468 . 1 1 46 46 VAL HB H 1 2.397 0.030 . 1 . . . . 46 VAL HB . 11248 1 469 . 1 1 46 46 VAL HG11 H 1 0.844 0.030 . 1 . . . . 46 VAL HG1 . 11248 1 470 . 1 1 46 46 VAL HG12 H 1 0.844 0.030 . 1 . . . . 46 VAL HG1 . 11248 1 471 . 1 1 46 46 VAL HG13 H 1 0.844 0.030 . 1 . . . . 46 VAL HG1 . 11248 1 472 . 1 1 46 46 VAL HG21 H 1 1.002 0.030 . 1 . . . . 46 VAL HG2 . 11248 1 473 . 1 1 46 46 VAL HG22 H 1 1.002 0.030 . 1 . . . . 46 VAL HG2 . 11248 1 474 . 1 1 46 46 VAL HG23 H 1 1.002 0.030 . 1 . . . . 46 VAL HG2 . 11248 1 475 . 1 1 46 46 VAL C C 13 173.846 0.300 . 1 . . . . 46 VAL C . 11248 1 476 . 1 1 46 46 VAL CA C 13 61.519 0.300 . 1 . . . . 46 VAL CA . 11248 1 477 . 1 1 46 46 VAL CB C 13 33.625 0.300 . 1 . . . . 46 VAL CB . 11248 1 478 . 1 1 46 46 VAL CG1 C 13 21.954 0.300 . 2 . . . . 46 VAL CG1 . 11248 1 479 . 1 1 46 46 VAL CG2 C 13 22.430 0.300 . 2 . . . . 46 VAL CG2 . 11248 1 480 . 1 1 46 46 VAL N N 15 126.210 0.300 . 1 . . . . 46 VAL N . 11248 1 481 . 1 1 47 47 GLN H H 1 8.796 0.030 . 1 . . . . 47 GLN H . 11248 1 482 . 1 1 47 47 GLN HA H 1 5.442 0.030 . 1 . . . . 47 GLN HA . 11248 1 483 . 1 1 47 47 GLN HB2 H 1 1.965 0.030 . 2 . . . . 47 GLN HB2 . 11248 1 484 . 1 1 47 47 GLN HB3 H 1 1.814 0.030 . 2 . . . . 47 GLN HB3 . 11248 1 485 . 1 1 47 47 GLN HE21 H 1 7.615 0.030 . 2 . . . . 47 GLN HE21 . 11248 1 486 . 1 1 47 47 GLN HE22 H 1 6.882 0.030 . 2 . . . . 47 GLN HE22 . 11248 1 487 . 1 1 47 47 GLN HG2 H 1 2.200 0.030 . 1 . . . . 47 GLN HG2 . 11248 1 488 . 1 1 47 47 GLN HG3 H 1 2.200 0.030 . 1 . . . . 47 GLN HG3 . 11248 1 489 . 1 1 47 47 GLN C C 13 175.360 0.300 . 1 . . . . 47 GLN C . 11248 1 490 . 1 1 47 47 GLN CA C 13 53.490 0.300 . 1 . . . . 47 GLN CA . 11248 1 491 . 1 1 47 47 GLN CB C 13 33.333 0.300 . 1 . . . . 47 GLN CB . 11248 1 492 . 1 1 47 47 GLN CG C 13 34.482 0.300 . 1 . . . . 47 GLN CG . 11248 1 493 . 1 1 47 47 GLN N N 15 125.854 0.300 . 1 . . . . 47 GLN N . 11248 1 494 . 1 1 47 47 GLN NE2 N 15 111.790 0.300 . 1 . . . . 47 GLN NE2 . 11248 1 495 . 1 1 48 48 VAL H H 1 9.287 0.030 . 1 . . . . 48 VAL H . 11248 1 496 . 1 1 48 48 VAL HA H 1 4.031 0.030 . 1 . . . . 48 VAL HA . 11248 1 497 . 1 1 48 48 VAL HB H 1 2.303 0.030 . 1 . . . . 48 VAL HB . 11248 1 498 . 1 1 48 48 VAL HG11 H 1 0.720 0.030 . 1 . . . . 48 VAL HG1 . 11248 1 499 . 1 1 48 48 VAL HG12 H 1 0.720 0.030 . 1 . . . . 48 VAL HG1 . 11248 1 500 . 1 1 48 48 VAL HG13 H 1 0.720 0.030 . 1 . . . . 48 VAL HG1 . 11248 1 501 . 1 1 48 48 VAL HG21 H 1 0.778 0.030 . 1 . . . . 48 VAL HG2 . 11248 1 502 . 1 1 48 48 VAL HG22 H 1 0.778 0.030 . 1 . . . . 48 VAL HG2 . 11248 1 503 . 1 1 48 48 VAL HG23 H 1 0.778 0.030 . 1 . . . . 48 VAL HG2 . 11248 1 504 . 1 1 48 48 VAL C C 13 175.714 0.300 . 1 . . . . 48 VAL C . 11248 1 505 . 1 1 48 48 VAL CA C 13 64.138 0.300 . 1 . . . . 48 VAL CA . 11248 1 506 . 1 1 48 48 VAL CB C 13 31.413 0.300 . 1 . . . . 48 VAL CB . 11248 1 507 . 1 1 48 48 VAL CG1 C 13 22.466 0.300 . 2 . . . . 48 VAL CG1 . 11248 1 508 . 1 1 48 48 VAL CG2 C 13 21.630 0.300 . 2 . . . . 48 VAL CG2 . 11248 1 509 . 1 1 48 48 VAL N N 15 124.355 0.300 . 1 . . . . 48 VAL N . 11248 1 510 . 1 1 49 49 LYS H H 1 9.458 0.030 . 1 . . . . 49 LYS H . 11248 1 511 . 1 1 49 49 LYS HA H 1 4.488 0.030 . 1 . . . . 49 LYS HA . 11248 1 512 . 1 1 49 49 LYS HB2 H 1 1.808 0.030 . 2 . . . . 49 LYS HB2 . 11248 1 513 . 1 1 49 49 LYS HB3 H 1 1.714 0.030 . 2 . . . . 49 LYS HB3 . 11248 1 514 . 1 1 49 49 LYS HD2 H 1 1.572 0.030 . 2 . . . . 49 LYS HD2 . 11248 1 515 . 1 1 49 49 LYS HD3 H 1 1.636 0.030 . 2 . . . . 49 LYS HD3 . 11248 1 516 . 1 1 49 49 LYS HE2 H 1 2.919 0.030 . 1 . . . . 49 LYS HE2 . 11248 1 517 . 1 1 49 49 LYS HE3 H 1 2.919 0.030 . 1 . . . . 49 LYS HE3 . 11248 1 518 . 1 1 49 49 LYS HG2 H 1 1.247 0.030 . 2 . . . . 49 LYS HG2 . 11248 1 519 . 1 1 49 49 LYS HG3 H 1 1.377 0.030 . 2 . . . . 49 LYS HG3 . 11248 1 520 . 1 1 49 49 LYS C C 13 174.772 0.300 . 1 . . . . 49 LYS C . 11248 1 521 . 1 1 49 49 LYS CA C 13 57.332 0.300 . 1 . . . . 49 LYS CA . 11248 1 522 . 1 1 49 49 LYS CB C 13 33.510 0.300 . 1 . . . . 49 LYS CB . 11248 1 523 . 1 1 49 49 LYS CD C 13 28.926 0.300 . 1 . . . . 49 LYS CD . 11248 1 524 . 1 1 49 49 LYS CE C 13 42.015 0.300 . 1 . . . . 49 LYS CE . 11248 1 525 . 1 1 49 49 LYS CG C 13 24.749 0.300 . 1 . . . . 49 LYS CG . 11248 1 526 . 1 1 49 49 LYS N N 15 133.759 0.300 . 1 . . . . 49 LYS N . 11248 1 527 . 1 1 50 50 GLU H H 1 7.390 0.030 . 1 . . . . 50 GLU H . 11248 1 528 . 1 1 50 50 GLU HA H 1 4.608 0.030 . 1 . . . . 50 GLU HA . 11248 1 529 . 1 1 50 50 GLU HB2 H 1 1.969 0.030 . 2 . . . . 50 GLU HB2 . 11248 1 530 . 1 1 50 50 GLU HB3 H 1 1.913 0.030 . 2 . . . . 50 GLU HB3 . 11248 1 531 . 1 1 50 50 GLU HG2 H 1 2.148 0.030 . 2 . . . . 50 GLU HG2 . 11248 1 532 . 1 1 50 50 GLU HG3 H 1 2.126 0.030 . 2 . . . . 50 GLU HG3 . 11248 1 533 . 1 1 50 50 GLU C C 13 174.065 0.300 . 1 . . . . 50 GLU C . 11248 1 534 . 1 1 50 50 GLU CA C 13 54.794 0.300 . 1 . . . . 50 GLU CA . 11248 1 535 . 1 1 50 50 GLU CB C 13 32.968 0.300 . 1 . . . . 50 GLU CB . 11248 1 536 . 1 1 50 50 GLU CG C 13 36.141 0.300 . 1 . . . . 50 GLU CG . 11248 1 537 . 1 1 50 50 GLU N N 15 116.057 0.300 . 1 . . . . 50 GLU N . 11248 1 538 . 1 1 51 51 VAL H H 1 8.594 0.030 . 1 . . . . 51 VAL H . 11248 1 539 . 1 1 51 51 VAL HA H 1 4.558 0.030 . 1 . . . . 51 VAL HA . 11248 1 540 . 1 1 51 51 VAL HB H 1 1.872 0.030 . 1 . . . . 51 VAL HB . 11248 1 541 . 1 1 51 51 VAL HG11 H 1 0.777 0.030 . 1 . . . . 51 VAL HG1 . 11248 1 542 . 1 1 51 51 VAL HG12 H 1 0.777 0.030 . 1 . . . . 51 VAL HG1 . 11248 1 543 . 1 1 51 51 VAL HG13 H 1 0.777 0.030 . 1 . . . . 51 VAL HG1 . 11248 1 544 . 1 1 51 51 VAL HG21 H 1 0.677 0.030 . 1 . . . . 51 VAL HG2 . 11248 1 545 . 1 1 51 51 VAL HG22 H 1 0.677 0.030 . 1 . . . . 51 VAL HG2 . 11248 1 546 . 1 1 51 51 VAL HG23 H 1 0.677 0.030 . 1 . . . . 51 VAL HG2 . 11248 1 547 . 1 1 51 51 VAL C C 13 174.260 0.300 . 1 . . . . 51 VAL C . 11248 1 548 . 1 1 51 51 VAL CA C 13 61.185 0.300 . 1 . . . . 51 VAL CA . 11248 1 549 . 1 1 51 51 VAL CB C 13 35.514 0.300 . 1 . . . . 51 VAL CB . 11248 1 550 . 1 1 51 51 VAL CG1 C 13 21.156 0.300 . 2 . . . . 51 VAL CG1 . 11248 1 551 . 1 1 51 51 VAL CG2 C 13 21.495 0.300 . 2 . . . . 51 VAL CG2 . 11248 1 552 . 1 1 51 51 VAL N N 15 118.405 0.300 . 1 . . . . 51 VAL N . 11248 1 553 . 1 1 52 52 ASN H H 1 8.918 0.030 . 1 . . . . 52 ASN H . 11248 1 554 . 1 1 52 52 ASN HA H 1 4.916 0.030 . 1 . . . . 52 ASN HA . 11248 1 555 . 1 1 52 52 ASN HB2 H 1 2.877 0.030 . 2 . . . . 52 ASN HB2 . 11248 1 556 . 1 1 52 52 ASN HB3 H 1 2.633 0.030 . 2 . . . . 52 ASN HB3 . 11248 1 557 . 1 1 52 52 ASN HD21 H 1 7.432 0.030 . 2 . . . . 52 ASN HD21 . 11248 1 558 . 1 1 52 52 ASN HD22 H 1 6.766 0.030 . 2 . . . . 52 ASN HD22 . 11248 1 559 . 1 1 52 52 ASN C C 13 175.707 0.300 . 1 . . . . 52 ASN C . 11248 1 560 . 1 1 52 52 ASN CA C 13 51.686 0.300 . 1 . . . . 52 ASN CA . 11248 1 561 . 1 1 52 52 ASN CB C 13 38.264 0.300 . 1 . . . . 52 ASN CB . 11248 1 562 . 1 1 52 52 ASN N N 15 125.240 0.300 . 1 . . . . 52 ASN N . 11248 1 563 . 1 1 52 52 ASN ND2 N 15 111.633 0.300 . 1 . . . . 52 ASN ND2 . 11248 1 564 . 1 1 53 53 ARG H H 1 8.682 0.030 . 1 . . . . 53 ARG H . 11248 1 565 . 1 1 53 53 ARG HA H 1 3.811 0.030 . 1 . . . . 53 ARG HA . 11248 1 566 . 1 1 53 53 ARG HB2 H 1 1.757 0.030 . 2 . . . . 53 ARG HB2 . 11248 1 567 . 1 1 53 53 ARG HB3 H 1 1.850 0.030 . 2 . . . . 53 ARG HB3 . 11248 1 568 . 1 1 53 53 ARG HD2 H 1 3.247 0.030 . 1 . . . . 53 ARG HD2 . 11248 1 569 . 1 1 53 53 ARG HD3 H 1 3.247 0.030 . 1 . . . . 53 ARG HD3 . 11248 1 570 . 1 1 53 53 ARG HG2 H 1 1.754 0.030 . 2 . . . . 53 ARG HG2 . 11248 1 571 . 1 1 53 53 ARG HG3 H 1 1.729 0.030 . 2 . . . . 53 ARG HG3 . 11248 1 572 . 1 1 53 53 ARG C C 13 177.276 0.300 . 1 . . . . 53 ARG C . 11248 1 573 . 1 1 53 53 ARG CA C 13 59.725 0.300 . 1 . . . . 53 ARG CA . 11248 1 574 . 1 1 53 53 ARG CB C 13 30.054 0.300 . 1 . . . . 53 ARG CB . 11248 1 575 . 1 1 53 53 ARG CD C 13 43.134 0.300 . 1 . . . . 53 ARG CD . 11248 1 576 . 1 1 53 53 ARG CG C 13 28.327 0.300 . 1 . . . . 53 ARG CG . 11248 1 577 . 1 1 53 53 ARG N N 15 121.539 0.300 . 1 . . . . 53 ARG N . 11248 1 578 . 1 1 54 54 MET H H 1 8.136 0.030 . 1 . . . . 54 MET H . 11248 1 579 . 1 1 54 54 MET HA H 1 4.349 0.030 . 1 . . . . 54 MET HA . 11248 1 580 . 1 1 54 54 MET HB2 H 1 1.935 0.030 . 1 . . . . 54 MET HB2 . 11248 1 581 . 1 1 54 54 MET HB3 H 1 1.935 0.030 . 1 . . . . 54 MET HB3 . 11248 1 582 . 1 1 54 54 MET HE1 H 1 2.054 0.030 . 1 . . . . 54 MET HE . 11248 1 583 . 1 1 54 54 MET HE2 H 1 2.054 0.030 . 1 . . . . 54 MET HE . 11248 1 584 . 1 1 54 54 MET HE3 H 1 2.054 0.030 . 1 . . . . 54 MET HE . 11248 1 585 . 1 1 54 54 MET HG2 H 1 2.537 0.030 . 2 . . . . 54 MET HG2 . 11248 1 586 . 1 1 54 54 MET HG3 H 1 2.409 0.030 . 2 . . . . 54 MET HG3 . 11248 1 587 . 1 1 54 54 MET C C 13 177.245 0.300 . 1 . . . . 54 MET C . 11248 1 588 . 1 1 54 54 MET CA C 13 56.375 0.300 . 1 . . . . 54 MET CA . 11248 1 589 . 1 1 54 54 MET CB C 13 30.967 0.300 . 1 . . . . 54 MET CB . 11248 1 590 . 1 1 54 54 MET CE C 13 16.698 0.300 . 1 . . . . 54 MET CE . 11248 1 591 . 1 1 54 54 MET CG C 13 31.973 0.300 . 1 . . . . 54 MET CG . 11248 1 592 . 1 1 54 54 MET N N 15 114.126 0.300 . 1 . . . . 54 MET N . 11248 1 593 . 1 1 55 55 HIS H H 1 7.785 0.030 . 1 . . . . 55 HIS H . 11248 1 594 . 1 1 55 55 HIS HA H 1 4.739 0.030 . 1 . . . . 55 HIS HA . 11248 1 595 . 1 1 55 55 HIS HB2 H 1 2.899 0.030 . 2 . . . . 55 HIS HB2 . 11248 1 596 . 1 1 55 55 HIS HB3 H 1 3.341 0.030 . 2 . . . . 55 HIS HB3 . 11248 1 597 . 1 1 55 55 HIS HD2 H 1 6.827 0.030 . 1 . . . . 55 HIS HD2 . 11248 1 598 . 1 1 55 55 HIS C C 13 174.475 0.300 . 1 . . . . 55 HIS C . 11248 1 599 . 1 1 55 55 HIS CA C 13 55.453 0.300 . 1 . . . . 55 HIS CA . 11248 1 600 . 1 1 55 55 HIS CB C 13 31.595 0.300 . 1 . . . . 55 HIS CB . 11248 1 601 . 1 1 55 55 HIS CD2 C 13 118.102 0.300 . 1 . . . . 55 HIS CD2 . 11248 1 602 . 1 1 55 55 HIS N N 15 117.566 0.300 . 1 . . . . 55 HIS N . 11248 1 603 . 1 1 56 56 ILE H H 1 7.493 0.030 . 1 . . . . 56 ILE H . 11248 1 604 . 1 1 56 56 ILE HA H 1 4.344 0.030 . 1 . . . . 56 ILE HA . 11248 1 605 . 1 1 56 56 ILE HB H 1 1.847 0.030 . 1 . . . . 56 ILE HB . 11248 1 606 . 1 1 56 56 ILE HD11 H 1 0.803 0.030 . 1 . . . . 56 ILE HD1 . 11248 1 607 . 1 1 56 56 ILE HD12 H 1 0.803 0.030 . 1 . . . . 56 ILE HD1 . 11248 1 608 . 1 1 56 56 ILE HD13 H 1 0.803 0.030 . 1 . . . . 56 ILE HD1 . 11248 1 609 . 1 1 56 56 ILE HG12 H 1 1.587 0.030 . 2 . . . . 56 ILE HG12 . 11248 1 610 . 1 1 56 56 ILE HG13 H 1 1.342 0.030 . 2 . . . . 56 ILE HG13 . 11248 1 611 . 1 1 56 56 ILE HG21 H 1 1.039 0.030 . 1 . . . . 56 ILE HG2 . 11248 1 612 . 1 1 56 56 ILE HG22 H 1 1.039 0.030 . 1 . . . . 56 ILE HG2 . 11248 1 613 . 1 1 56 56 ILE HG23 H 1 1.039 0.030 . 1 . . . . 56 ILE HG2 . 11248 1 614 . 1 1 56 56 ILE C C 13 175.095 0.300 . 1 . . . . 56 ILE C . 11248 1 615 . 1 1 56 56 ILE CA C 13 59.806 0.300 . 1 . . . . 56 ILE CA . 11248 1 616 . 1 1 56 56 ILE CB C 13 38.911 0.300 . 1 . . . . 56 ILE CB . 11248 1 617 . 1 1 56 56 ILE CD1 C 13 12.534 0.300 . 1 . . . . 56 ILE CD1 . 11248 1 618 . 1 1 56 56 ILE CG1 C 13 27.604 0.300 . 1 . . . . 56 ILE CG1 . 11248 1 619 . 1 1 56 56 ILE CG2 C 13 17.587 0.300 . 1 . . . . 56 ILE CG2 . 11248 1 620 . 1 1 56 56 ILE N N 15 121.046 0.300 . 1 . . . . 56 ILE N . 11248 1 621 . 1 1 57 57 SER H H 1 8.693 0.030 . 1 . . . . 57 SER H . 11248 1 622 . 1 1 57 57 SER HA H 1 4.635 0.030 . 1 . . . . 57 SER HA . 11248 1 623 . 1 1 57 57 SER HB2 H 1 4.145 0.030 . 2 . . . . 57 SER HB2 . 11248 1 624 . 1 1 57 57 SER HB3 H 1 4.069 0.030 . 2 . . . . 57 SER HB3 . 11248 1 625 . 1 1 57 57 SER C C 13 173.987 0.300 . 1 . . . . 57 SER C . 11248 1 626 . 1 1 57 57 SER CA C 13 57.722 0.300 . 1 . . . . 57 SER CA . 11248 1 627 . 1 1 57 57 SER CB C 13 62.579 0.300 . 1 . . . . 57 SER CB . 11248 1 628 . 1 1 57 57 SER N N 15 124.103 0.300 . 1 . . . . 57 SER N . 11248 1 629 . 1 1 58 58 PRO HA H 1 4.041 0.030 . 1 . . . . 58 PRO HA . 11248 1 630 . 1 1 58 58 PRO HB2 H 1 2.013 0.030 . 2 . . . . 58 PRO HB2 . 11248 1 631 . 1 1 58 58 PRO HB3 H 1 2.370 0.030 . 2 . . . . 58 PRO HB3 . 11248 1 632 . 1 1 58 58 PRO HD2 H 1 3.929 0.030 . 2 . . . . 58 PRO HD2 . 11248 1 633 . 1 1 58 58 PRO HD3 H 1 3.869 0.030 . 2 . . . . 58 PRO HD3 . 11248 1 634 . 1 1 58 58 PRO HG2 H 1 2.015 0.030 . 2 . . . . 58 PRO HG2 . 11248 1 635 . 1 1 58 58 PRO HG3 H 1 2.212 0.030 . 2 . . . . 58 PRO HG3 . 11248 1 636 . 1 1 58 58 PRO CA C 13 66.063 0.300 . 1 . . . . 58 PRO CA . 11248 1 637 . 1 1 58 58 PRO CB C 13 32.112 0.300 . 1 . . . . 58 PRO CB . 11248 1 638 . 1 1 58 58 PRO CD C 13 50.699 0.300 . 1 . . . . 58 PRO CD . 11248 1 639 . 1 1 58 58 PRO CG C 13 27.611 0.300 . 1 . . . . 58 PRO CG . 11248 1 640 . 1 1 59 59 ASN HA H 1 4.490 0.030 . 1 . . . . 59 ASN HA . 11248 1 641 . 1 1 59 59 ASN HB2 H 1 2.827 0.030 . 2 . . . . 59 ASN HB2 . 11248 1 642 . 1 1 59 59 ASN HB3 H 1 2.802 0.030 . 2 . . . . 59 ASN HB3 . 11248 1 643 . 1 1 59 59 ASN HD21 H 1 7.627 0.030 . 2 . . . . 59 ASN HD21 . 11248 1 644 . 1 1 59 59 ASN HD22 H 1 6.994 0.030 . 2 . . . . 59 ASN HD22 . 11248 1 645 . 1 1 59 59 ASN C C 13 175.785 0.300 . 1 . . . . 59 ASN C . 11248 1 646 . 1 1 59 59 ASN CA C 13 55.277 0.300 . 1 . . . . 59 ASN CA . 11248 1 647 . 1 1 59 59 ASN CB C 13 37.324 0.300 . 1 . . . . 59 ASN CB . 11248 1 648 . 1 1 59 59 ASN ND2 N 15 113.686 0.300 . 1 . . . . 59 ASN ND2 . 11248 1 649 . 1 1 60 60 ASN H H 1 7.831 0.030 . 1 . . . . 60 ASN H . 11248 1 650 . 1 1 60 60 ASN HA H 1 5.000 0.030 . 1 . . . . 60 ASN HA . 11248 1 651 . 1 1 60 60 ASN HB2 H 1 2.723 0.030 . 2 . . . . 60 ASN HB2 . 11248 1 652 . 1 1 60 60 ASN HB3 H 1 2.633 0.030 . 2 . . . . 60 ASN HB3 . 11248 1 653 . 1 1 60 60 ASN HD21 H 1 7.540 0.030 . 2 . . . . 60 ASN HD21 . 11248 1 654 . 1 1 60 60 ASN HD22 H 1 6.862 0.030 . 2 . . . . 60 ASN HD22 . 11248 1 655 . 1 1 60 60 ASN C C 13 176.310 0.300 . 1 . . . . 60 ASN C . 11248 1 656 . 1 1 60 60 ASN CA C 13 52.651 0.300 . 1 . . . . 60 ASN CA . 11248 1 657 . 1 1 60 60 ASN CB C 13 40.395 0.300 . 1 . . . . 60 ASN CB . 11248 1 658 . 1 1 60 60 ASN N N 15 116.151 0.300 . 1 . . . . 60 ASN N . 11248 1 659 . 1 1 60 60 ASN ND2 N 15 111.461 0.300 . 1 . . . . 60 ASN ND2 . 11248 1 660 . 1 1 61 61 ARG H H 1 7.560 0.030 . 1 . . . . 61 ARG H . 11248 1 661 . 1 1 61 61 ARG HA H 1 3.749 0.030 . 1 . . . . 61 ARG HA . 11248 1 662 . 1 1 61 61 ARG HB2 H 1 1.759 0.030 . 2 . . . . 61 ARG HB2 . 11248 1 663 . 1 1 61 61 ARG HB3 H 1 1.908 0.030 . 2 . . . . 61 ARG HB3 . 11248 1 664 . 1 1 61 61 ARG HD2 H 1 3.207 0.030 . 2 . . . . 61 ARG HD2 . 11248 1 665 . 1 1 61 61 ARG HD3 H 1 3.096 0.030 . 2 . . . . 61 ARG HD3 . 11248 1 666 . 1 1 61 61 ARG HG2 H 1 1.699 0.030 . 2 . . . . 61 ARG HG2 . 11248 1 667 . 1 1 61 61 ARG HG3 H 1 1.757 0.030 . 2 . . . . 61 ARG HG3 . 11248 1 668 . 1 1 61 61 ARG C C 13 175.380 0.300 . 1 . . . . 61 ARG C . 11248 1 669 . 1 1 61 61 ARG CA C 13 59.934 0.300 . 1 . . . . 61 ARG CA . 11248 1 670 . 1 1 61 61 ARG CB C 13 30.430 0.300 . 1 . . . . 61 ARG CB . 11248 1 671 . 1 1 61 61 ARG CD C 13 43.498 0.300 . 1 . . . . 61 ARG CD . 11248 1 672 . 1 1 61 61 ARG CG C 13 27.436 0.300 . 1 . . . . 61 ARG CG . 11248 1 673 . 1 1 61 61 ARG N N 15 120.980 0.300 . 1 . . . . 61 ARG N . 11248 1 674 . 1 1 62 62 ASN H H 1 8.426 0.030 . 1 . . . . 62 ASN H . 11248 1 675 . 1 1 62 62 ASN HA H 1 4.906 0.030 . 1 . . . . 62 ASN HA . 11248 1 676 . 1 1 62 62 ASN HB2 H 1 2.986 0.030 . 2 . . . . 62 ASN HB2 . 11248 1 677 . 1 1 62 62 ASN HB3 H 1 2.583 0.030 . 2 . . . . 62 ASN HB3 . 11248 1 678 . 1 1 62 62 ASN HD21 H 1 7.638 0.030 . 2 . . . . 62 ASN HD21 . 11248 1 679 . 1 1 62 62 ASN HD22 H 1 6.920 0.030 . 2 . . . . 62 ASN HD22 . 11248 1 680 . 1 1 62 62 ASN C C 13 174.632 0.300 . 1 . . . . 62 ASN C . 11248 1 681 . 1 1 62 62 ASN CA C 13 52.347 0.300 . 1 . . . . 62 ASN CA . 11248 1 682 . 1 1 62 62 ASN CB C 13 38.963 0.300 . 1 . . . . 62 ASN CB . 11248 1 683 . 1 1 62 62 ASN N N 15 114.253 0.300 . 1 . . . . 62 ASN N . 11248 1 684 . 1 1 62 62 ASN ND2 N 15 113.357 0.300 . 1 . . . . 62 ASN ND2 . 11248 1 685 . 1 1 63 63 ALA H H 1 7.552 0.030 . 1 . . . . 63 ALA H . 11248 1 686 . 1 1 63 63 ALA HA H 1 4.370 0.030 . 1 . . . . 63 ALA HA . 11248 1 687 . 1 1 63 63 ALA HB1 H 1 1.348 0.030 . 1 . . . . 63 ALA HB . 11248 1 688 . 1 1 63 63 ALA HB2 H 1 1.348 0.030 . 1 . . . . 63 ALA HB . 11248 1 689 . 1 1 63 63 ALA HB3 H 1 1.348 0.030 . 1 . . . . 63 ALA HB . 11248 1 690 . 1 1 63 63 ALA C C 13 174.927 0.300 . 1 . . . . 63 ALA C . 11248 1 691 . 1 1 63 63 ALA CA C 13 52.052 0.300 . 1 . . . . 63 ALA CA . 11248 1 692 . 1 1 63 63 ALA CB C 13 20.795 0.300 . 1 . . . . 63 ALA CB . 11248 1 693 . 1 1 63 63 ALA N N 15 120.659 0.300 . 1 . . . . 63 ALA N . 11248 1 694 . 1 1 64 64 ILE H H 1 6.518 0.030 . 1 . . . . 64 ILE H . 11248 1 695 . 1 1 64 64 ILE HA H 1 4.250 0.030 . 1 . . . . 64 ILE HA . 11248 1 696 . 1 1 64 64 ILE HB H 1 1.260 0.030 . 1 . . . . 64 ILE HB . 11248 1 697 . 1 1 64 64 ILE HD11 H 1 0.125 0.030 . 1 . . . . 64 ILE HD1 . 11248 1 698 . 1 1 64 64 ILE HD12 H 1 0.125 0.030 . 1 . . . . 64 ILE HD1 . 11248 1 699 . 1 1 64 64 ILE HD13 H 1 0.125 0.030 . 1 . . . . 64 ILE HD1 . 11248 1 700 . 1 1 64 64 ILE HG12 H 1 0.579 0.030 . 2 . . . . 64 ILE HG12 . 11248 1 701 . 1 1 64 64 ILE HG13 H 1 1.285 0.030 . 2 . . . . 64 ILE HG13 . 11248 1 702 . 1 1 64 64 ILE HG21 H 1 0.504 0.030 . 1 . . . . 64 ILE HG2 . 11248 1 703 . 1 1 64 64 ILE HG22 H 1 0.504 0.030 . 1 . . . . 64 ILE HG2 . 11248 1 704 . 1 1 64 64 ILE HG23 H 1 0.504 0.030 . 1 . . . . 64 ILE HG2 . 11248 1 705 . 1 1 64 64 ILE C C 13 172.087 0.300 . 1 . . . . 64 ILE C . 11248 1 706 . 1 1 64 64 ILE CA C 13 59.394 0.300 . 1 . . . . 64 ILE CA . 11248 1 707 . 1 1 64 64 ILE CB C 13 40.955 0.300 . 1 . . . . 64 ILE CB . 11248 1 708 . 1 1 64 64 ILE CD1 C 13 13.211 0.300 . 1 . . . . 64 ILE CD1 . 11248 1 709 . 1 1 64 64 ILE CG1 C 13 28.086 0.300 . 1 . . . . 64 ILE CG1 . 11248 1 710 . 1 1 64 64 ILE CG2 C 13 15.170 0.300 . 1 . . . . 64 ILE CG2 . 11248 1 711 . 1 1 64 64 ILE N N 15 114.227 0.300 . 1 . . . . 64 ILE N . 11248 1 712 . 1 1 65 65 HIS H H 1 8.400 0.030 . 1 . . . . 65 HIS H . 11248 1 713 . 1 1 65 65 HIS HA H 1 4.926 0.030 . 1 . . . . 65 HIS HA . 11248 1 714 . 1 1 65 65 HIS HB2 H 1 3.098 0.030 . 2 . . . . 65 HIS HB2 . 11248 1 715 . 1 1 65 65 HIS HB3 H 1 2.842 0.030 . 2 . . . . 65 HIS HB3 . 11248 1 716 . 1 1 65 65 HIS HD2 H 1 6.852 0.030 . 1 . . . . 65 HIS HD2 . 11248 1 717 . 1 1 65 65 HIS C C 13 172.439 0.300 . 1 . . . . 65 HIS C . 11248 1 718 . 1 1 65 65 HIS CA C 13 53.447 0.300 . 1 . . . . 65 HIS CA . 11248 1 719 . 1 1 65 65 HIS CB C 13 31.791 0.300 . 1 . . . . 65 HIS CB . 11248 1 720 . 1 1 65 65 HIS CD2 C 13 119.876 0.300 . 1 . . . . 65 HIS CD2 . 11248 1 721 . 1 1 65 65 HIS N N 15 124.258 0.300 . 1 . . . . 65 HIS N . 11248 1 722 . 1 1 66 66 PRO HA H 1 3.884 0.030 . 1 . . . . 66 PRO HA . 11248 1 723 . 1 1 66 66 PRO HB2 H 1 2.341 0.030 . 2 . . . . 66 PRO HB2 . 11248 1 724 . 1 1 66 66 PRO HB3 H 1 1.979 0.030 . 2 . . . . 66 PRO HB3 . 11248 1 725 . 1 1 66 66 PRO HD2 H 1 3.780 0.030 . 2 . . . . 66 PRO HD2 . 11248 1 726 . 1 1 66 66 PRO HD3 H 1 3.703 0.030 . 2 . . . . 66 PRO HD3 . 11248 1 727 . 1 1 66 66 PRO HG2 H 1 1.877 0.030 . 2 . . . . 66 PRO HG2 . 11248 1 728 . 1 1 66 66 PRO HG3 H 1 2.369 0.030 . 2 . . . . 66 PRO HG3 . 11248 1 729 . 1 1 66 66 PRO C C 13 176.956 0.300 . 1 . . . . 66 PRO C . 11248 1 730 . 1 1 66 66 PRO CA C 13 63.868 0.300 . 1 . . . . 66 PRO CA . 11248 1 731 . 1 1 66 66 PRO CB C 13 31.430 0.300 . 1 . . . . 66 PRO CB . 11248 1 732 . 1 1 66 66 PRO CD C 13 50.897 0.300 . 1 . . . . 66 PRO CD . 11248 1 733 . 1 1 66 66 PRO CG C 13 28.885 0.300 . 1 . . . . 66 PRO CG . 11248 1 734 . 1 1 67 67 GLY H H 1 9.104 0.030 . 1 . . . . 67 GLY H . 11248 1 735 . 1 1 67 67 GLY HA2 H 1 4.560 0.030 . 2 . . . . 67 GLY HA2 . 11248 1 736 . 1 1 67 67 GLY HA3 H 1 3.632 0.030 . 2 . . . . 67 GLY HA3 . 11248 1 737 . 1 1 67 67 GLY C C 13 174.490 0.300 . 1 . . . . 67 GLY C . 11248 1 738 . 1 1 67 67 GLY CA C 13 44.855 0.300 . 1 . . . . 67 GLY CA . 11248 1 739 . 1 1 67 67 GLY N N 15 114.041 0.300 . 1 . . . . 67 GLY N . 11248 1 740 . 1 1 68 68 ASP H H 1 8.038 0.030 . 1 . . . . 68 ASP H . 11248 1 741 . 1 1 68 68 ASP HA H 1 4.820 0.030 . 1 . . . . 68 ASP HA . 11248 1 742 . 1 1 68 68 ASP HB2 H 1 2.659 0.030 . 2 . . . . 68 ASP HB2 . 11248 1 743 . 1 1 68 68 ASP HB3 H 1 2.707 0.030 . 2 . . . . 68 ASP HB3 . 11248 1 744 . 1 1 68 68 ASP C C 13 175.551 0.300 . 1 . . . . 68 ASP C . 11248 1 745 . 1 1 68 68 ASP CA C 13 55.635 0.300 . 1 . . . . 68 ASP CA . 11248 1 746 . 1 1 68 68 ASP CB C 13 41.084 0.300 . 1 . . . . 68 ASP CB . 11248 1 747 . 1 1 68 68 ASP N N 15 122.014 0.300 . 1 . . . . 68 ASP N . 11248 1 748 . 1 1 69 69 ARG H H 1 8.618 0.030 . 1 . . . . 69 ARG H . 11248 1 749 . 1 1 69 69 ARG HA H 1 5.116 0.030 . 1 . . . . 69 ARG HA . 11248 1 750 . 1 1 69 69 ARG HB2 H 1 1.921 0.030 . 1 . . . . 69 ARG HB2 . 11248 1 751 . 1 1 69 69 ARG HB3 H 1 1.921 0.030 . 1 . . . . 69 ARG HB3 . 11248 1 752 . 1 1 69 69 ARG HD2 H 1 3.369 0.030 . 2 . . . . 69 ARG HD2 . 11248 1 753 . 1 1 69 69 ARG HD3 H 1 3.254 0.030 . 2 . . . . 69 ARG HD3 . 11248 1 754 . 1 1 69 69 ARG HE H 1 7.392 0.030 . 1 . . . . 69 ARG HE . 11248 1 755 . 1 1 69 69 ARG HG2 H 1 1.590 0.030 . 2 . . . . 69 ARG HG2 . 11248 1 756 . 1 1 69 69 ARG HG3 H 1 1.868 0.030 . 2 . . . . 69 ARG HG3 . 11248 1 757 . 1 1 69 69 ARG C C 13 175.721 0.300 . 1 . . . . 69 ARG C . 11248 1 758 . 1 1 69 69 ARG CA C 13 55.442 0.300 . 1 . . . . 69 ARG CA . 11248 1 759 . 1 1 69 69 ARG CB C 13 32.029 0.300 . 1 . . . . 69 ARG CB . 11248 1 760 . 1 1 69 69 ARG CD C 13 43.102 0.300 . 1 . . . . 69 ARG CD . 11248 1 761 . 1 1 69 69 ARG CG C 13 28.800 0.300 . 1 . . . . 69 ARG CG . 11248 1 762 . 1 1 69 69 ARG N N 15 119.743 0.300 . 1 . . . . 69 ARG N . 11248 1 763 . 1 1 69 69 ARG NE N 15 83.609 0.300 . 1 . . . . 69 ARG NE . 11248 1 764 . 1 1 70 70 ILE H H 1 8.738 0.030 . 1 . . . . 70 ILE H . 11248 1 765 . 1 1 70 70 ILE HA H 1 4.337 0.030 . 1 . . . . 70 ILE HA . 11248 1 766 . 1 1 70 70 ILE HB H 1 1.611 0.030 . 1 . . . . 70 ILE HB . 11248 1 767 . 1 1 70 70 ILE HD11 H 1 0.715 0.030 . 1 . . . . 70 ILE HD1 . 11248 1 768 . 1 1 70 70 ILE HD12 H 1 0.715 0.030 . 1 . . . . 70 ILE HD1 . 11248 1 769 . 1 1 70 70 ILE HD13 H 1 0.715 0.030 . 1 . . . . 70 ILE HD1 . 11248 1 770 . 1 1 70 70 ILE HG12 H 1 1.475 0.030 . 2 . . . . 70 ILE HG12 . 11248 1 771 . 1 1 70 70 ILE HG13 H 1 0.836 0.030 . 2 . . . . 70 ILE HG13 . 11248 1 772 . 1 1 70 70 ILE HG21 H 1 0.746 0.030 . 1 . . . . 70 ILE HG2 . 11248 1 773 . 1 1 70 70 ILE HG22 H 1 0.746 0.030 . 1 . . . . 70 ILE HG2 . 11248 1 774 . 1 1 70 70 ILE HG23 H 1 0.746 0.030 . 1 . . . . 70 ILE HG2 . 11248 1 775 . 1 1 70 70 ILE C C 13 175.119 0.300 . 1 . . . . 70 ILE C . 11248 1 776 . 1 1 70 70 ILE CA C 13 60.671 0.300 . 1 . . . . 70 ILE CA . 11248 1 777 . 1 1 70 70 ILE CB C 13 38.296 0.300 . 1 . . . . 70 ILE CB . 11248 1 778 . 1 1 70 70 ILE CD1 C 13 14.082 0.300 . 1 . . . . 70 ILE CD1 . 11248 1 779 . 1 1 70 70 ILE CG1 C 13 27.941 0.300 . 1 . . . . 70 ILE CG1 . 11248 1 780 . 1 1 70 70 ILE CG2 C 13 19.038 0.300 . 1 . . . . 70 ILE CG2 . 11248 1 781 . 1 1 70 70 ILE N N 15 122.534 0.300 . 1 . . . . 70 ILE N . 11248 1 782 . 1 1 71 71 LEU H H 1 9.308 0.030 . 1 . . . . 71 LEU H . 11248 1 783 . 1 1 71 71 LEU HA H 1 4.512 0.030 . 1 . . . . 71 LEU HA . 11248 1 784 . 1 1 71 71 LEU HB2 H 1 1.627 0.030 . 2 . . . . 71 LEU HB2 . 11248 1 785 . 1 1 71 71 LEU HB3 H 1 1.710 0.030 . 2 . . . . 71 LEU HB3 . 11248 1 786 . 1 1 71 71 LEU HD11 H 1 0.890 0.030 . 1 . . . . 71 LEU HD1 . 11248 1 787 . 1 1 71 71 LEU HD12 H 1 0.890 0.030 . 1 . . . . 71 LEU HD1 . 11248 1 788 . 1 1 71 71 LEU HD13 H 1 0.890 0.030 . 1 . . . . 71 LEU HD1 . 11248 1 789 . 1 1 71 71 LEU HD21 H 1 0.825 0.030 . 1 . . . . 71 LEU HD2 . 11248 1 790 . 1 1 71 71 LEU HD22 H 1 0.825 0.030 . 1 . . . . 71 LEU HD2 . 11248 1 791 . 1 1 71 71 LEU HD23 H 1 0.825 0.030 . 1 . . . . 71 LEU HD2 . 11248 1 792 . 1 1 71 71 LEU HG H 1 1.646 0.030 . 1 . . . . 71 LEU HG . 11248 1 793 . 1 1 71 71 LEU C C 13 179.672 0.300 . 1 . . . . 71 LEU C . 11248 1 794 . 1 1 71 71 LEU CA C 13 56.056 0.300 . 1 . . . . 71 LEU CA . 11248 1 795 . 1 1 71 71 LEU CB C 13 43.603 0.300 . 1 . . . . 71 LEU CB . 11248 1 796 . 1 1 71 71 LEU CD1 C 13 25.389 0.300 . 2 . . . . 71 LEU CD1 . 11248 1 797 . 1 1 71 71 LEU CD2 C 13 21.701 0.300 . 2 . . . . 71 LEU CD2 . 11248 1 798 . 1 1 71 71 LEU CG C 13 27.307 0.300 . 1 . . . . 71 LEU CG . 11248 1 799 . 1 1 71 71 LEU N N 15 126.320 0.300 . 1 . . . . 71 LEU N . 11248 1 800 . 1 1 72 72 GLU H H 1 7.453 0.030 . 1 . . . . 72 GLU H . 11248 1 801 . 1 1 72 72 GLU HA H 1 5.011 0.030 . 1 . . . . 72 GLU HA . 11248 1 802 . 1 1 72 72 GLU HB2 H 1 1.466 0.030 . 2 . . . . 72 GLU HB2 . 11248 1 803 . 1 1 72 72 GLU HB3 H 1 1.811 0.030 . 2 . . . . 72 GLU HB3 . 11248 1 804 . 1 1 72 72 GLU HG2 H 1 1.906 0.030 . 2 . . . . 72 GLU HG2 . 11248 1 805 . 1 1 72 72 GLU HG3 H 1 2.076 0.030 . 2 . . . . 72 GLU HG3 . 11248 1 806 . 1 1 72 72 GLU C C 13 174.845 0.300 . 1 . . . . 72 GLU C . 11248 1 807 . 1 1 72 72 GLU CA C 13 54.996 0.300 . 1 . . . . 72 GLU CA . 11248 1 808 . 1 1 72 72 GLU CB C 13 34.692 0.300 . 1 . . . . 72 GLU CB . 11248 1 809 . 1 1 72 72 GLU CG C 13 35.780 0.300 . 1 . . . . 72 GLU CG . 11248 1 810 . 1 1 72 72 GLU N N 15 116.327 0.300 . 1 . . . . 72 GLU N . 11248 1 811 . 1 1 73 73 ILE H H 1 8.317 0.030 . 1 . . . . 73 ILE H . 11248 1 812 . 1 1 73 73 ILE HA H 1 4.513 0.030 . 1 . . . . 73 ILE HA . 11248 1 813 . 1 1 73 73 ILE HB H 1 1.393 0.030 . 1 . . . . 73 ILE HB . 11248 1 814 . 1 1 73 73 ILE HD11 H 1 0.819 0.030 . 1 . . . . 73 ILE HD1 . 11248 1 815 . 1 1 73 73 ILE HD12 H 1 0.819 0.030 . 1 . . . . 73 ILE HD1 . 11248 1 816 . 1 1 73 73 ILE HD13 H 1 0.819 0.030 . 1 . . . . 73 ILE HD1 . 11248 1 817 . 1 1 73 73 ILE HG12 H 1 1.370 0.030 . 2 . . . . 73 ILE HG12 . 11248 1 818 . 1 1 73 73 ILE HG13 H 1 0.806 0.030 . 2 . . . . 73 ILE HG13 . 11248 1 819 . 1 1 73 73 ILE HG21 H 1 0.766 0.030 . 1 . . . . 73 ILE HG2 . 11248 1 820 . 1 1 73 73 ILE HG22 H 1 0.766 0.030 . 1 . . . . 73 ILE HG2 . 11248 1 821 . 1 1 73 73 ILE HG23 H 1 0.766 0.030 . 1 . . . . 73 ILE HG2 . 11248 1 822 . 1 1 73 73 ILE C C 13 175.352 0.300 . 1 . . . . 73 ILE C . 11248 1 823 . 1 1 73 73 ILE CA C 13 60.114 0.300 . 1 . . . . 73 ILE CA . 11248 1 824 . 1 1 73 73 ILE CB C 13 40.748 0.300 . 1 . . . . 73 ILE CB . 11248 1 825 . 1 1 73 73 ILE CD1 C 13 14.931 0.300 . 1 . . . . 73 ILE CD1 . 11248 1 826 . 1 1 73 73 ILE CG1 C 13 27.827 0.300 . 1 . . . . 73 ILE CG1 . 11248 1 827 . 1 1 73 73 ILE CG2 C 13 16.994 0.300 . 1 . . . . 73 ILE CG2 . 11248 1 828 . 1 1 73 73 ILE N N 15 120.800 0.300 . 1 . . . . 73 ILE N . 11248 1 829 . 1 1 74 74 ASN H H 1 9.997 0.030 . 1 . . . . 74 ASN H . 11248 1 830 . 1 1 74 74 ASN HA H 1 4.467 0.030 . 1 . . . . 74 ASN HA . 11248 1 831 . 1 1 74 74 ASN HB2 H 1 3.046 0.030 . 2 . . . . 74 ASN HB2 . 11248 1 832 . 1 1 74 74 ASN HB3 H 1 2.987 0.030 . 2 . . . . 74 ASN HB3 . 11248 1 833 . 1 1 74 74 ASN HD21 H 1 7.824 0.030 . 2 . . . . 74 ASN HD21 . 11248 1 834 . 1 1 74 74 ASN HD22 H 1 7.316 0.030 . 2 . . . . 74 ASN HD22 . 11248 1 835 . 1 1 74 74 ASN C C 13 175.757 0.300 . 1 . . . . 74 ASN C . 11248 1 836 . 1 1 74 74 ASN CA C 13 54.428 0.300 . 1 . . . . 74 ASN CA . 11248 1 837 . 1 1 74 74 ASN CB C 13 36.845 0.300 . 1 . . . . 74 ASN CB . 11248 1 838 . 1 1 74 74 ASN N N 15 128.211 0.300 . 1 . . . . 74 ASN N . 11248 1 839 . 1 1 74 74 ASN ND2 N 15 113.760 0.300 . 1 . . . . 74 ASN ND2 . 11248 1 840 . 1 1 75 75 GLY H H 1 9.098 0.030 . 1 . . . . 75 GLY H . 11248 1 841 . 1 1 75 75 GLY HA2 H 1 4.106 0.030 . 2 . . . . 75 GLY HA2 . 11248 1 842 . 1 1 75 75 GLY HA3 H 1 3.693 0.030 . 2 . . . . 75 GLY HA3 . 11248 1 843 . 1 1 75 75 GLY C C 13 173.903 0.300 . 1 . . . . 75 GLY C . 11248 1 844 . 1 1 75 75 GLY CA C 13 45.223 0.300 . 1 . . . . 75 GLY CA . 11248 1 845 . 1 1 75 75 GLY N N 15 103.582 0.300 . 1 . . . . 75 GLY N . 11248 1 846 . 1 1 76 76 THR H H 1 7.940 0.030 . 1 . . . . 76 THR H . 11248 1 847 . 1 1 76 76 THR HA H 1 4.784 0.030 . 1 . . . . 76 THR HA . 11248 1 848 . 1 1 76 76 THR HB H 1 4.110 0.030 . 1 . . . . 76 THR HB . 11248 1 849 . 1 1 76 76 THR HG21 H 1 1.172 0.030 . 1 . . . . 76 THR HG2 . 11248 1 850 . 1 1 76 76 THR HG22 H 1 1.172 0.030 . 1 . . . . 76 THR HG2 . 11248 1 851 . 1 1 76 76 THR HG23 H 1 1.172 0.030 . 1 . . . . 76 THR HG2 . 11248 1 852 . 1 1 76 76 THR C C 13 172.421 0.300 . 1 . . . . 76 THR C . 11248 1 853 . 1 1 76 76 THR CA C 13 59.509 0.300 . 1 . . . . 76 THR CA . 11248 1 854 . 1 1 76 76 THR CB C 13 70.673 0.300 . 1 . . . . 76 THR CB . 11248 1 855 . 1 1 76 76 THR CG2 C 13 21.773 0.300 . 1 . . . . 76 THR CG2 . 11248 1 856 . 1 1 76 76 THR N N 15 118.193 0.300 . 1 . . . . 76 THR N . 11248 1 857 . 1 1 77 77 PRO HA H 1 4.836 0.030 . 1 . . . . 77 PRO HA . 11248 1 858 . 1 1 77 77 PRO HB2 H 1 2.622 0.030 . 2 . . . . 77 PRO HB2 . 11248 1 859 . 1 1 77 77 PRO HB3 H 1 1.966 0.030 . 2 . . . . 77 PRO HB3 . 11248 1 860 . 1 1 77 77 PRO HD2 H 1 4.102 0.030 . 2 . . . . 77 PRO HD2 . 11248 1 861 . 1 1 77 77 PRO HD3 H 1 3.719 0.030 . 2 . . . . 77 PRO HD3 . 11248 1 862 . 1 1 77 77 PRO HG2 H 1 2.210 0.030 . 2 . . . . 77 PRO HG2 . 11248 1 863 . 1 1 77 77 PRO HG3 H 1 2.019 0.030 . 2 . . . . 77 PRO HG3 . 11248 1 864 . 1 1 77 77 PRO C C 13 179.152 0.300 . 1 . . . . 77 PRO C . 11248 1 865 . 1 1 77 77 PRO CA C 13 62.916 0.300 . 1 . . . . 77 PRO CA . 11248 1 866 . 1 1 77 77 PRO CB C 13 32.676 0.300 . 1 . . . . 77 PRO CB . 11248 1 867 . 1 1 77 77 PRO CD C 13 52.065 0.300 . 1 . . . . 77 PRO CD . 11248 1 868 . 1 1 77 77 PRO CG C 13 27.919 0.300 . 1 . . . . 77 PRO CG . 11248 1 869 . 1 1 78 78 VAL H H 1 8.026 0.030 . 1 . . . . 78 VAL H . 11248 1 870 . 1 1 78 78 VAL HA H 1 3.814 0.030 . 1 . . . . 78 VAL HA . 11248 1 871 . 1 1 78 78 VAL HB H 1 2.135 0.030 . 1 . . . . 78 VAL HB . 11248 1 872 . 1 1 78 78 VAL HG11 H 1 0.826 0.030 . 1 . . . . 78 VAL HG1 . 11248 1 873 . 1 1 78 78 VAL HG12 H 1 0.826 0.030 . 1 . . . . 78 VAL HG1 . 11248 1 874 . 1 1 78 78 VAL HG13 H 1 0.826 0.030 . 1 . . . . 78 VAL HG1 . 11248 1 875 . 1 1 78 78 VAL HG21 H 1 1.057 0.030 . 1 . . . . 78 VAL HG2 . 11248 1 876 . 1 1 78 78 VAL HG22 H 1 1.057 0.030 . 1 . . . . 78 VAL HG2 . 11248 1 877 . 1 1 78 78 VAL HG23 H 1 1.057 0.030 . 1 . . . . 78 VAL HG2 . 11248 1 878 . 1 1 78 78 VAL C C 13 175.896 0.300 . 1 . . . . 78 VAL C . 11248 1 879 . 1 1 78 78 VAL CA C 13 65.622 0.300 . 1 . . . . 78 VAL CA . 11248 1 880 . 1 1 78 78 VAL CB C 13 31.142 0.300 . 1 . . . . 78 VAL CB . 11248 1 881 . 1 1 78 78 VAL CG1 C 13 22.374 0.300 . 2 . . . . 78 VAL CG1 . 11248 1 882 . 1 1 78 78 VAL CG2 C 13 18.724 0.300 . 2 . . . . 78 VAL CG2 . 11248 1 883 . 1 1 78 78 VAL N N 15 121.142 0.300 . 1 . . . . 78 VAL N . 11248 1 884 . 1 1 79 79 ARG H H 1 7.883 0.030 . 1 . . . . 79 ARG H . 11248 1 885 . 1 1 79 79 ARG HA H 1 4.845 0.030 . 1 . . . . 79 ARG HA . 11248 1 886 . 1 1 79 79 ARG HB2 H 1 1.930 0.030 . 2 . . . . 79 ARG HB2 . 11248 1 887 . 1 1 79 79 ARG HB3 H 1 1.883 0.030 . 2 . . . . 79 ARG HB3 . 11248 1 888 . 1 1 79 79 ARG HD2 H 1 3.250 0.030 . 1 . . . . 79 ARG HD2 . 11248 1 889 . 1 1 79 79 ARG HD3 H 1 3.250 0.030 . 1 . . . . 79 ARG HD3 . 11248 1 890 . 1 1 79 79 ARG HG2 H 1 1.593 0.030 . 2 . . . . 79 ARG HG2 . 11248 1 891 . 1 1 79 79 ARG HG3 H 1 1.758 0.030 . 2 . . . . 79 ARG HG3 . 11248 1 892 . 1 1 79 79 ARG C C 13 176.904 0.300 . 1 . . . . 79 ARG C . 11248 1 893 . 1 1 79 79 ARG CA C 13 56.995 0.300 . 1 . . . . 79 ARG CA . 11248 1 894 . 1 1 79 79 ARG CB C 13 29.366 0.300 . 1 . . . . 79 ARG CB . 11248 1 895 . 1 1 79 79 ARG CD C 13 43.350 0.300 . 1 . . . . 79 ARG CD . 11248 1 896 . 1 1 79 79 ARG CG C 13 27.879 0.300 . 1 . . . . 79 ARG CG . 11248 1 897 . 1 1 79 79 ARG N N 15 114.432 0.300 . 1 . . . . 79 ARG N . 11248 1 898 . 1 1 80 80 THR H H 1 7.665 0.030 . 1 . . . . 80 THR H . 11248 1 899 . 1 1 80 80 THR HA H 1 4.324 0.030 . 1 . . . . 80 THR HA . 11248 1 900 . 1 1 80 80 THR HB H 1 4.408 0.030 . 1 . . . . 80 THR HB . 11248 1 901 . 1 1 80 80 THR HG21 H 1 1.163 0.030 . 1 . . . . 80 THR HG2 . 11248 1 902 . 1 1 80 80 THR HG22 H 1 1.163 0.030 . 1 . . . . 80 THR HG2 . 11248 1 903 . 1 1 80 80 THR HG23 H 1 1.163 0.030 . 1 . . . . 80 THR HG2 . 11248 1 904 . 1 1 80 80 THR C C 13 173.723 0.300 . 1 . . . . 80 THR C . 11248 1 905 . 1 1 80 80 THR CA C 13 61.265 0.300 . 1 . . . . 80 THR CA . 11248 1 906 . 1 1 80 80 THR CB C 13 69.590 0.300 . 1 . . . . 80 THR CB . 11248 1 907 . 1 1 80 80 THR CG2 C 13 21.906 0.300 . 1 . . . . 80 THR CG2 . 11248 1 908 . 1 1 80 80 THR N N 15 108.029 0.300 . 1 . . . . 80 THR N . 11248 1 909 . 1 1 81 81 LEU H H 1 8.044 0.030 . 1 . . . . 81 LEU H . 11248 1 910 . 1 1 81 81 LEU HA H 1 4.714 0.030 . 1 . . . . 81 LEU HA . 11248 1 911 . 1 1 81 81 LEU HB2 H 1 2.032 0.030 . 2 . . . . 81 LEU HB2 . 11248 1 912 . 1 1 81 81 LEU HB3 H 1 1.410 0.030 . 2 . . . . 81 LEU HB3 . 11248 1 913 . 1 1 81 81 LEU HD11 H 1 0.763 0.030 . 1 . . . . 81 LEU HD1 . 11248 1 914 . 1 1 81 81 LEU HD12 H 1 0.763 0.030 . 1 . . . . 81 LEU HD1 . 11248 1 915 . 1 1 81 81 LEU HD13 H 1 0.763 0.030 . 1 . . . . 81 LEU HD1 . 11248 1 916 . 1 1 81 81 LEU HD21 H 1 0.856 0.030 . 1 . . . . 81 LEU HD2 . 11248 1 917 . 1 1 81 81 LEU HD22 H 1 0.856 0.030 . 1 . . . . 81 LEU HD2 . 11248 1 918 . 1 1 81 81 LEU HD23 H 1 0.856 0.030 . 1 . . . . 81 LEU HD2 . 11248 1 919 . 1 1 81 81 LEU HG H 1 1.666 0.030 . 1 . . . . 81 LEU HG . 11248 1 920 . 1 1 81 81 LEU C C 13 176.028 0.300 . 1 . . . . 81 LEU C . 11248 1 921 . 1 1 81 81 LEU CA C 13 53.482 0.300 . 1 . . . . 81 LEU CA . 11248 1 922 . 1 1 81 81 LEU CB C 13 44.235 0.300 . 1 . . . . 81 LEU CB . 11248 1 923 . 1 1 81 81 LEU CD1 C 13 26.543 0.300 . 2 . . . . 81 LEU CD1 . 11248 1 924 . 1 1 81 81 LEU CD2 C 13 23.142 0.300 . 2 . . . . 81 LEU CD2 . 11248 1 925 . 1 1 81 81 LEU CG C 13 26.204 0.300 . 1 . . . . 81 LEU CG . 11248 1 926 . 1 1 81 81 LEU N N 15 123.698 0.300 . 1 . . . . 81 LEU N . 11248 1 927 . 1 1 82 82 ARG H H 1 9.325 0.030 . 1 . . . . 82 ARG H . 11248 1 928 . 1 1 82 82 ARG HA H 1 4.538 0.030 . 1 . . . . 82 ARG HA . 11248 1 929 . 1 1 82 82 ARG HB2 H 1 2.087 0.030 . 2 . . . . 82 ARG HB2 . 11248 1 930 . 1 1 82 82 ARG HB3 H 1 1.538 0.030 . 2 . . . . 82 ARG HB3 . 11248 1 931 . 1 1 82 82 ARG HD2 H 1 3.040 0.030 . 1 . . . . 82 ARG HD2 . 11248 1 932 . 1 1 82 82 ARG HD3 H 1 3.040 0.030 . 1 . . . . 82 ARG HD3 . 11248 1 933 . 1 1 82 82 ARG HG2 H 1 1.609 0.030 . 2 . . . . 82 ARG HG2 . 11248 1 934 . 1 1 82 82 ARG HG3 H 1 1.116 0.030 . 2 . . . . 82 ARG HG3 . 11248 1 935 . 1 1 82 82 ARG C C 13 179.125 0.300 . 1 . . . . 82 ARG C . 11248 1 936 . 1 1 82 82 ARG CA C 13 55.498 0.300 . 1 . . . . 82 ARG CA . 11248 1 937 . 1 1 82 82 ARG CB C 13 31.035 0.300 . 1 . . . . 82 ARG CB . 11248 1 938 . 1 1 82 82 ARG CD C 13 42.939 0.300 . 1 . . . . 82 ARG CD . 11248 1 939 . 1 1 82 82 ARG CG C 13 28.472 0.300 . 1 . . . . 82 ARG CG . 11248 1 940 . 1 1 82 82 ARG N N 15 120.304 0.300 . 1 . . . . 82 ARG N . 11248 1 941 . 1 1 83 83 VAL H H 1 8.421 0.030 . 1 . . . . 83 VAL H . 11248 1 942 . 1 1 83 83 VAL HA H 1 3.354 0.030 . 1 . . . . 83 VAL HA . 11248 1 943 . 1 1 83 83 VAL HB H 1 2.017 0.030 . 1 . . . . 83 VAL HB . 11248 1 944 . 1 1 83 83 VAL HG11 H 1 0.882 0.030 . 1 . . . . 83 VAL HG1 . 11248 1 945 . 1 1 83 83 VAL HG12 H 1 0.882 0.030 . 1 . . . . 83 VAL HG1 . 11248 1 946 . 1 1 83 83 VAL HG13 H 1 0.882 0.030 . 1 . . . . 83 VAL HG1 . 11248 1 947 . 1 1 83 83 VAL HG21 H 1 0.900 0.030 . 1 . . . . 83 VAL HG2 . 11248 1 948 . 1 1 83 83 VAL HG22 H 1 0.900 0.030 . 1 . . . . 83 VAL HG2 . 11248 1 949 . 1 1 83 83 VAL HG23 H 1 0.900 0.030 . 1 . . . . 83 VAL HG2 . 11248 1 950 . 1 1 83 83 VAL C C 13 178.062 0.300 . 1 . . . . 83 VAL C . 11248 1 951 . 1 1 83 83 VAL CA C 13 68.105 0.300 . 1 . . . . 83 VAL CA . 11248 1 952 . 1 1 83 83 VAL CB C 13 31.580 0.300 . 1 . . . . 83 VAL CB . 11248 1 953 . 1 1 83 83 VAL CG1 C 13 20.895 0.300 . 2 . . . . 83 VAL CG1 . 11248 1 954 . 1 1 83 83 VAL CG2 C 13 21.915 0.300 . 2 . . . . 83 VAL CG2 . 11248 1 955 . 1 1 83 83 VAL N N 15 122.101 0.300 . 1 . . . . 83 VAL N . 11248 1 956 . 1 1 84 84 GLU H H 1 9.430 0.030 . 1 . . . . 84 GLU H . 11248 1 957 . 1 1 84 84 GLU HA H 1 4.162 0.030 . 1 . . . . 84 GLU HA . 11248 1 958 . 1 1 84 84 GLU HB2 H 1 1.997 0.030 . 2 . . . . 84 GLU HB2 . 11248 1 959 . 1 1 84 84 GLU HB3 H 1 2.039 0.030 . 2 . . . . 84 GLU HB3 . 11248 1 960 . 1 1 84 84 GLU HG2 H 1 2.332 0.030 . 1 . . . . 84 GLU HG2 . 11248 1 961 . 1 1 84 84 GLU HG3 H 1 2.332 0.030 . 1 . . . . 84 GLU HG3 . 11248 1 962 . 1 1 84 84 GLU C C 13 178.755 0.300 . 1 . . . . 84 GLU C . 11248 1 963 . 1 1 84 84 GLU CA C 13 59.507 0.300 . 1 . . . . 84 GLU CA . 11248 1 964 . 1 1 84 84 GLU CB C 13 28.519 0.300 . 1 . . . . 84 GLU CB . 11248 1 965 . 1 1 84 84 GLU CG C 13 36.214 0.300 . 1 . . . . 84 GLU CG . 11248 1 966 . 1 1 84 84 GLU N N 15 116.252 0.300 . 1 . . . . 84 GLU N . 11248 1 967 . 1 1 85 85 GLU H H 1 7.132 0.030 . 1 . . . . 85 GLU H . 11248 1 968 . 1 1 85 85 GLU HA H 1 4.207 0.030 . 1 . . . . 85 GLU HA . 11248 1 969 . 1 1 85 85 GLU HB2 H 1 2.102 0.030 . 2 . . . . 85 GLU HB2 . 11248 1 970 . 1 1 85 85 GLU HB3 H 1 2.601 0.030 . 2 . . . . 85 GLU HB3 . 11248 1 971 . 1 1 85 85 GLU HG2 H 1 2.346 0.030 . 2 . . . . 85 GLU HG2 . 11248 1 972 . 1 1 85 85 GLU HG3 H 1 2.303 0.030 . 2 . . . . 85 GLU HG3 . 11248 1 973 . 1 1 85 85 GLU C C 13 180.169 0.300 . 1 . . . . 85 GLU C . 11248 1 974 . 1 1 85 85 GLU CA C 13 58.652 0.300 . 1 . . . . 85 GLU CA . 11248 1 975 . 1 1 85 85 GLU CB C 13 30.841 0.300 . 1 . . . . 85 GLU CB . 11248 1 976 . 1 1 85 85 GLU CG C 13 37.955 0.300 . 1 . . . . 85 GLU CG . 11248 1 977 . 1 1 85 85 GLU N N 15 117.895 0.300 . 1 . . . . 85 GLU N . 11248 1 978 . 1 1 86 86 VAL H H 1 7.744 0.030 . 1 . . . . 86 VAL H . 11248 1 979 . 1 1 86 86 VAL HA H 1 3.401 0.030 . 1 . . . . 86 VAL HA . 11248 1 980 . 1 1 86 86 VAL HB H 1 2.391 0.030 . 1 . . . . 86 VAL HB . 11248 1 981 . 1 1 86 86 VAL HG11 H 1 0.823 0.030 . 1 . . . . 86 VAL HG1 . 11248 1 982 . 1 1 86 86 VAL HG12 H 1 0.823 0.030 . 1 . . . . 86 VAL HG1 . 11248 1 983 . 1 1 86 86 VAL HG13 H 1 0.823 0.030 . 1 . . . . 86 VAL HG1 . 11248 1 984 . 1 1 86 86 VAL HG21 H 1 0.942 0.030 . 1 . . . . 86 VAL HG2 . 11248 1 985 . 1 1 86 86 VAL HG22 H 1 0.942 0.030 . 1 . . . . 86 VAL HG2 . 11248 1 986 . 1 1 86 86 VAL HG23 H 1 0.942 0.030 . 1 . . . . 86 VAL HG2 . 11248 1 987 . 1 1 86 86 VAL C C 13 176.815 0.300 . 1 . . . . 86 VAL C . 11248 1 988 . 1 1 86 86 VAL CA C 13 66.955 0.300 . 1 . . . . 86 VAL CA . 11248 1 989 . 1 1 86 86 VAL CB C 13 31.517 0.300 . 1 . . . . 86 VAL CB . 11248 1 990 . 1 1 86 86 VAL CG1 C 13 21.570 0.300 . 2 . . . . 86 VAL CG1 . 11248 1 991 . 1 1 86 86 VAL CG2 C 13 23.232 0.300 . 2 . . . . 86 VAL CG2 . 11248 1 992 . 1 1 86 86 VAL N N 15 120.986 0.300 . 1 . . . . 86 VAL N . 11248 1 993 . 1 1 87 87 GLU H H 1 7.911 0.030 . 1 . . . . 87 GLU H . 11248 1 994 . 1 1 87 87 GLU HA H 1 3.804 0.030 . 1 . . . . 87 GLU HA . 11248 1 995 . 1 1 87 87 GLU HB2 H 1 2.047 0.030 . 2 . . . . 87 GLU HB2 . 11248 1 996 . 1 1 87 87 GLU HB3 H 1 1.956 0.030 . 2 . . . . 87 GLU HB3 . 11248 1 997 . 1 1 87 87 GLU HG2 H 1 2.417 0.030 . 2 . . . . 87 GLU HG2 . 11248 1 998 . 1 1 87 87 GLU HG3 H 1 2.070 0.030 . 2 . . . . 87 GLU HG3 . 11248 1 999 . 1 1 87 87 GLU C C 13 179.624 0.300 . 1 . . . . 87 GLU C . 11248 1 1000 . 1 1 87 87 GLU CA C 13 59.812 0.300 . 1 . . . . 87 GLU CA . 11248 1 1001 . 1 1 87 87 GLU CB C 13 29.588 0.300 . 1 . . . . 87 GLU CB . 11248 1 1002 . 1 1 87 87 GLU CG C 13 36.504 0.300 . 1 . . . . 87 GLU CG . 11248 1 1003 . 1 1 87 87 GLU N N 15 115.889 0.300 . 1 . . . . 87 GLU N . 11248 1 1004 . 1 1 88 88 ASP H H 1 8.218 0.030 . 1 . . . . 88 ASP H . 11248 1 1005 . 1 1 88 88 ASP HA H 1 4.378 0.030 . 1 . . . . 88 ASP HA . 11248 1 1006 . 1 1 88 88 ASP HB2 H 1 2.780 0.030 . 2 . . . . 88 ASP HB2 . 11248 1 1007 . 1 1 88 88 ASP HB3 H 1 2.582 0.030 . 2 . . . . 88 ASP HB3 . 11248 1 1008 . 1 1 88 88 ASP C C 13 177.870 0.300 . 1 . . . . 88 ASP C . 11248 1 1009 . 1 1 88 88 ASP CA C 13 57.461 0.300 . 1 . . . . 88 ASP CA . 11248 1 1010 . 1 1 88 88 ASP CB C 13 41.084 0.300 . 1 . . . . 88 ASP CB . 11248 1 1011 . 1 1 88 88 ASP N N 15 118.183 0.300 . 1 . . . . 88 ASP N . 11248 1 1012 . 1 1 89 89 ALA H H 1 7.611 0.030 . 1 . . . . 89 ALA H . 11248 1 1013 . 1 1 89 89 ALA HA H 1 4.107 0.030 . 1 . . . . 89 ALA HA . 11248 1 1014 . 1 1 89 89 ALA HB1 H 1 1.471 0.030 . 1 . . . . 89 ALA HB . 11248 1 1015 . 1 1 89 89 ALA HB2 H 1 1.471 0.030 . 1 . . . . 89 ALA HB . 11248 1 1016 . 1 1 89 89 ALA HB3 H 1 1.471 0.030 . 1 . . . . 89 ALA HB . 11248 1 1017 . 1 1 89 89 ALA C C 13 180.050 0.300 . 1 . . . . 89 ALA C . 11248 1 1018 . 1 1 89 89 ALA CA C 13 54.933 0.300 . 1 . . . . 89 ALA CA . 11248 1 1019 . 1 1 89 89 ALA CB C 13 17.864 0.300 . 1 . . . . 89 ALA CB . 11248 1 1020 . 1 1 89 89 ALA N N 15 120.107 0.300 . 1 . . . . 89 ALA N . 11248 1 1021 . 1 1 90 90 ILE H H 1 7.516 0.030 . 1 . . . . 90 ILE H . 11248 1 1022 . 1 1 90 90 ILE HA H 1 3.729 0.030 . 1 . . . . 90 ILE HA . 11248 1 1023 . 1 1 90 90 ILE HB H 1 1.962 0.030 . 1 . . . . 90 ILE HB . 11248 1 1024 . 1 1 90 90 ILE HD11 H 1 0.742 0.030 . 1 . . . . 90 ILE HD1 . 11248 1 1025 . 1 1 90 90 ILE HD12 H 1 0.742 0.030 . 1 . . . . 90 ILE HD1 . 11248 1 1026 . 1 1 90 90 ILE HD13 H 1 0.742 0.030 . 1 . . . . 90 ILE HD1 . 11248 1 1027 . 1 1 90 90 ILE HG12 H 1 1.568 0.030 . 2 . . . . 90 ILE HG12 . 11248 1 1028 . 1 1 90 90 ILE HG13 H 1 1.436 0.030 . 2 . . . . 90 ILE HG13 . 11248 1 1029 . 1 1 90 90 ILE HG21 H 1 0.668 0.030 . 1 . . . . 90 ILE HG2 . 11248 1 1030 . 1 1 90 90 ILE HG22 H 1 0.668 0.030 . 1 . . . . 90 ILE HG2 . 11248 1 1031 . 1 1 90 90 ILE HG23 H 1 0.668 0.030 . 1 . . . . 90 ILE HG2 . 11248 1 1032 . 1 1 90 90 ILE C C 13 177.375 0.300 . 1 . . . . 90 ILE C . 11248 1 1033 . 1 1 90 90 ILE CA C 13 63.090 0.300 . 1 . . . . 90 ILE CA . 11248 1 1034 . 1 1 90 90 ILE CB C 13 37.357 0.300 . 1 . . . . 90 ILE CB . 11248 1 1035 . 1 1 90 90 ILE CD1 C 13 12.603 0.300 . 1 . . . . 90 ILE CD1 . 11248 1 1036 . 1 1 90 90 ILE CG1 C 13 28.548 0.300 . 1 . . . . 90 ILE CG1 . 11248 1 1037 . 1 1 90 90 ILE CG2 C 13 17.626 0.300 . 1 . . . . 90 ILE CG2 . 11248 1 1038 . 1 1 90 90 ILE N N 15 114.257 0.300 . 1 . . . . 90 ILE N . 11248 1 1039 . 1 1 91 91 LYS H H 1 7.796 0.030 . 1 . . . . 91 LYS H . 11248 1 1040 . 1 1 91 91 LYS HA H 1 4.211 0.030 . 1 . . . . 91 LYS HA . 11248 1 1041 . 1 1 91 91 LYS HB2 H 1 1.910 0.030 . 2 . . . . 91 LYS HB2 . 11248 1 1042 . 1 1 91 91 LYS HB3 H 1 1.965 0.030 . 2 . . . . 91 LYS HB3 . 11248 1 1043 . 1 1 91 91 LYS HD2 H 1 1.696 0.030 . 1 . . . . 91 LYS HD2 . 11248 1 1044 . 1 1 91 91 LYS HD3 H 1 1.696 0.030 . 1 . . . . 91 LYS HD3 . 11248 1 1045 . 1 1 91 91 LYS HE2 H 1 2.971 0.030 . 1 . . . . 91 LYS HE2 . 11248 1 1046 . 1 1 91 91 LYS HE3 H 1 2.971 0.030 . 1 . . . . 91 LYS HE3 . 11248 1 1047 . 1 1 91 91 LYS HG2 H 1 1.557 0.030 . 1 . . . . 91 LYS HG2 . 11248 1 1048 . 1 1 91 91 LYS HG3 H 1 1.557 0.030 . 1 . . . . 91 LYS HG3 . 11248 1 1049 . 1 1 91 91 LYS C C 13 177.486 0.300 . 1 . . . . 91 LYS C . 11248 1 1050 . 1 1 91 91 LYS CA C 13 57.773 0.300 . 1 . . . . 91 LYS CA . 11248 1 1051 . 1 1 91 91 LYS CB C 13 33.210 0.300 . 1 . . . . 91 LYS CB . 11248 1 1052 . 1 1 91 91 LYS CD C 13 29.508 0.300 . 1 . . . . 91 LYS CD . 11248 1 1053 . 1 1 91 91 LYS CE C 13 42.055 0.300 . 1 . . . . 91 LYS CE . 11248 1 1054 . 1 1 91 91 LYS CG C 13 25.253 0.300 . 1 . . . . 91 LYS CG . 11248 1 1055 . 1 1 91 91 LYS N N 15 118.112 0.300 . 1 . . . . 91 LYS N . 11248 1 1056 . 1 1 92 92 GLN H H 1 7.432 0.030 . 1 . . . . 92 GLN H . 11248 1 1057 . 1 1 92 92 GLN HA H 1 4.499 0.030 . 1 . . . . 92 GLN HA . 11248 1 1058 . 1 1 92 92 GLN HB2 H 1 2.146 0.030 . 1 . . . . 92 GLN HB2 . 11248 1 1059 . 1 1 92 92 GLN HB3 H 1 2.146 0.030 . 1 . . . . 92 GLN HB3 . 11248 1 1060 . 1 1 92 92 GLN HE21 H 1 7.598 0.030 . 2 . . . . 92 GLN HE21 . 11248 1 1061 . 1 1 92 92 GLN HE22 H 1 6.720 0.030 . 2 . . . . 92 GLN HE22 . 11248 1 1062 . 1 1 92 92 GLN HG2 H 1 2.534 0.030 . 2 . . . . 92 GLN HG2 . 11248 1 1063 . 1 1 92 92 GLN HG3 H 1 2.485 0.030 . 2 . . . . 92 GLN HG3 . 11248 1 1064 . 1 1 92 92 GLN C C 13 176.531 0.300 . 1 . . . . 92 GLN C . 11248 1 1065 . 1 1 92 92 GLN CA C 13 55.512 0.300 . 1 . . . . 92 GLN CA . 11248 1 1066 . 1 1 92 92 GLN CB C 13 26.796 0.300 . 1 . . . . 92 GLN CB . 11248 1 1067 . 1 1 92 92 GLN CG C 13 33.155 0.300 . 1 . . . . 92 GLN CG . 11248 1 1068 . 1 1 92 92 GLN N N 15 118.909 0.300 . 1 . . . . 92 GLN N . 11248 1 1069 . 1 1 92 92 GLN NE2 N 15 111.753 0.300 . 1 . . . . 92 GLN NE2 . 11248 1 1070 . 1 1 93 93 THR H H 1 8.202 0.030 . 1 . . . . 93 THR H . 11248 1 1071 . 1 1 93 93 THR HA H 1 4.100 0.030 . 1 . . . . 93 THR HA . 11248 1 1072 . 1 1 93 93 THR HB H 1 4.561 0.030 . 1 . . . . 93 THR HB . 11248 1 1073 . 1 1 93 93 THR HG21 H 1 1.037 0.030 . 1 . . . . 93 THR HG2 . 11248 1 1074 . 1 1 93 93 THR HG22 H 1 1.037 0.030 . 1 . . . . 93 THR HG2 . 11248 1 1075 . 1 1 93 93 THR HG23 H 1 1.037 0.030 . 1 . . . . 93 THR HG2 . 11248 1 1076 . 1 1 93 93 THR C C 13 174.050 0.300 . 1 . . . . 93 THR C . 11248 1 1077 . 1 1 93 93 THR CA C 13 63.105 0.300 . 1 . . . . 93 THR CA . 11248 1 1078 . 1 1 93 93 THR CB C 13 68.321 0.300 . 1 . . . . 93 THR CB . 11248 1 1079 . 1 1 93 93 THR CG2 C 13 22.317 0.300 . 1 . . . . 93 THR CG2 . 11248 1 1080 . 1 1 93 93 THR N N 15 115.882 0.300 . 1 . . . . 93 THR N . 11248 1 1081 . 1 1 94 94 SER H H 1 8.018 0.030 . 1 . . . . 94 SER H . 11248 1 1082 . 1 1 94 94 SER HA H 1 4.486 0.030 . 1 . . . . 94 SER HA . 11248 1 1083 . 1 1 94 94 SER HB2 H 1 4.074 0.030 . 2 . . . . 94 SER HB2 . 11248 1 1084 . 1 1 94 94 SER HB3 H 1 3.926 0.030 . 2 . . . . 94 SER HB3 . 11248 1 1085 . 1 1 94 94 SER C C 13 173.522 0.300 . 1 . . . . 94 SER C . 11248 1 1086 . 1 1 94 94 SER CA C 13 59.218 0.300 . 1 . . . . 94 SER CA . 11248 1 1087 . 1 1 94 94 SER CB C 13 63.293 0.300 . 1 . . . . 94 SER CB . 11248 1 1088 . 1 1 94 94 SER N N 15 113.605 0.300 . 1 . . . . 94 SER N . 11248 1 1089 . 1 1 95 95 GLN H H 1 7.845 0.030 . 1 . . . . 95 GLN H . 11248 1 1090 . 1 1 95 95 GLN HA H 1 4.769 0.030 . 1 . . . . 95 GLN HA . 11248 1 1091 . 1 1 95 95 GLN HB2 H 1 2.202 0.030 . 2 . . . . 95 GLN HB2 . 11248 1 1092 . 1 1 95 95 GLN HB3 H 1 1.926 0.030 . 2 . . . . 95 GLN HB3 . 11248 1 1093 . 1 1 95 95 GLN HE21 H 1 7.522 0.030 . 2 . . . . 95 GLN HE21 . 11248 1 1094 . 1 1 95 95 GLN HE22 H 1 6.864 0.030 . 2 . . . . 95 GLN HE22 . 11248 1 1095 . 1 1 95 95 GLN HG2 H 1 2.337 0.030 . 1 . . . . 95 GLN HG2 . 11248 1 1096 . 1 1 95 95 GLN HG3 H 1 2.337 0.030 . 1 . . . . 95 GLN HG3 . 11248 1 1097 . 1 1 95 95 GLN C C 13 175.139 0.300 . 1 . . . . 95 GLN C . 11248 1 1098 . 1 1 95 95 GLN CA C 13 53.715 0.300 . 1 . . . . 95 GLN CA . 11248 1 1099 . 1 1 95 95 GLN CB C 13 31.776 0.300 . 1 . . . . 95 GLN CB . 11248 1 1100 . 1 1 95 95 GLN CG C 13 33.179 0.300 . 1 . . . . 95 GLN CG . 11248 1 1101 . 1 1 95 95 GLN N N 15 119.440 0.300 . 1 . . . . 95 GLN N . 11248 1 1102 . 1 1 95 95 GLN NE2 N 15 112.199 0.300 . 1 . . . . 95 GLN NE2 . 11248 1 1103 . 1 1 96 96 THR H H 1 8.538 0.030 . 1 . . . . 96 THR H . 11248 1 1104 . 1 1 96 96 THR HA H 1 4.293 0.030 . 1 . . . . 96 THR HA . 11248 1 1105 . 1 1 96 96 THR HB H 1 4.070 0.030 . 1 . . . . 96 THR HB . 11248 1 1106 . 1 1 96 96 THR HG21 H 1 1.145 0.030 . 1 . . . . 96 THR HG2 . 11248 1 1107 . 1 1 96 96 THR HG22 H 1 1.145 0.030 . 1 . . . . 96 THR HG2 . 11248 1 1108 . 1 1 96 96 THR HG23 H 1 1.145 0.030 . 1 . . . . 96 THR HG2 . 11248 1 1109 . 1 1 96 96 THR C C 13 173.482 0.300 . 1 . . . . 96 THR C . 11248 1 1110 . 1 1 96 96 THR CA C 13 63.277 0.300 . 1 . . . . 96 THR CA . 11248 1 1111 . 1 1 96 96 THR CB C 13 69.493 0.300 . 1 . . . . 96 THR CB . 11248 1 1112 . 1 1 96 96 THR CG2 C 13 22.128 0.300 . 1 . . . . 96 THR CG2 . 11248 1 1113 . 1 1 96 96 THR N N 15 118.073 0.300 . 1 . . . . 96 THR N . 11248 1 1114 . 1 1 97 97 LEU H H 1 8.722 0.030 . 1 . . . . 97 LEU H . 11248 1 1115 . 1 1 97 97 LEU HA H 1 5.025 0.030 . 1 . . . . 97 LEU HA . 11248 1 1116 . 1 1 97 97 LEU HB2 H 1 1.548 0.030 . 2 . . . . 97 LEU HB2 . 11248 1 1117 . 1 1 97 97 LEU HB3 H 1 1.773 0.030 . 2 . . . . 97 LEU HB3 . 11248 1 1118 . 1 1 97 97 LEU HD11 H 1 0.958 0.030 . 1 . . . . 97 LEU HD1 . 11248 1 1119 . 1 1 97 97 LEU HD12 H 1 0.958 0.030 . 1 . . . . 97 LEU HD1 . 11248 1 1120 . 1 1 97 97 LEU HD13 H 1 0.958 0.030 . 1 . . . . 97 LEU HD1 . 11248 1 1121 . 1 1 97 97 LEU HD21 H 1 1.063 0.030 . 1 . . . . 97 LEU HD2 . 11248 1 1122 . 1 1 97 97 LEU HD22 H 1 1.063 0.030 . 1 . . . . 97 LEU HD2 . 11248 1 1123 . 1 1 97 97 LEU HD23 H 1 1.063 0.030 . 1 . . . . 97 LEU HD2 . 11248 1 1124 . 1 1 97 97 LEU HG H 1 1.355 0.030 . 1 . . . . 97 LEU HG . 11248 1 1125 . 1 1 97 97 LEU C C 13 174.197 0.300 . 1 . . . . 97 LEU C . 11248 1 1126 . 1 1 97 97 LEU CA C 13 53.703 0.300 . 1 . . . . 97 LEU CA . 11248 1 1127 . 1 1 97 97 LEU CB C 13 45.300 0.300 . 1 . . . . 97 LEU CB . 11248 1 1128 . 1 1 97 97 LEU CD1 C 13 23.908 0.300 . 2 . . . . 97 LEU CD1 . 11248 1 1129 . 1 1 97 97 LEU CD2 C 13 26.705 0.300 . 2 . . . . 97 LEU CD2 . 11248 1 1130 . 1 1 97 97 LEU CG C 13 27.437 0.300 . 1 . . . . 97 LEU CG . 11248 1 1131 . 1 1 97 97 LEU N N 15 128.638 0.300 . 1 . . . . 97 LEU N . 11248 1 1132 . 1 1 98 98 GLN H H 1 8.816 0.030 . 1 . . . . 98 GLN H . 11248 1 1133 . 1 1 98 98 GLN HA H 1 5.405 0.030 . 1 . . . . 98 GLN HA . 11248 1 1134 . 1 1 98 98 GLN HB2 H 1 1.978 0.030 . 2 . . . . 98 GLN HB2 . 11248 1 1135 . 1 1 98 98 GLN HB3 H 1 2.023 0.030 . 2 . . . . 98 GLN HB3 . 11248 1 1136 . 1 1 98 98 GLN HE21 H 1 7.269 0.030 . 2 . . . . 98 GLN HE21 . 11248 1 1137 . 1 1 98 98 GLN HE22 H 1 6.842 0.030 . 2 . . . . 98 GLN HE22 . 11248 1 1138 . 1 1 98 98 GLN HG2 H 1 2.298 0.030 . 2 . . . . 98 GLN HG2 . 11248 1 1139 . 1 1 98 98 GLN HG3 H 1 2.201 0.030 . 2 . . . . 98 GLN HG3 . 11248 1 1140 . 1 1 98 98 GLN C C 13 175.341 0.300 . 1 . . . . 98 GLN C . 11248 1 1141 . 1 1 98 98 GLN CA C 13 54.280 0.300 . 1 . . . . 98 GLN CA . 11248 1 1142 . 1 1 98 98 GLN CB C 13 31.489 0.300 . 1 . . . . 98 GLN CB . 11248 1 1143 . 1 1 98 98 GLN CG C 13 34.607 0.300 . 1 . . . . 98 GLN CG . 11248 1 1144 . 1 1 98 98 GLN N N 15 126.220 0.300 . 1 . . . . 98 GLN N . 11248 1 1145 . 1 1 98 98 GLN NE2 N 15 111.210 0.300 . 1 . . . . 98 GLN NE2 . 11248 1 1146 . 1 1 99 99 LEU H H 1 9.139 0.030 . 1 . . . . 99 LEU H . 11248 1 1147 . 1 1 99 99 LEU HA H 1 5.136 0.030 . 1 . . . . 99 LEU HA . 11248 1 1148 . 1 1 99 99 LEU HB2 H 1 1.706 0.030 . 2 . . . . 99 LEU HB2 . 11248 1 1149 . 1 1 99 99 LEU HB3 H 1 1.147 0.030 . 2 . . . . 99 LEU HB3 . 11248 1 1150 . 1 1 99 99 LEU HD11 H 1 0.679 0.030 . 1 . . . . 99 LEU HD1 . 11248 1 1151 . 1 1 99 99 LEU HD12 H 1 0.679 0.030 . 1 . . . . 99 LEU HD1 . 11248 1 1152 . 1 1 99 99 LEU HD13 H 1 0.679 0.030 . 1 . . . . 99 LEU HD1 . 11248 1 1153 . 1 1 99 99 LEU HD21 H 1 0.935 0.030 . 1 . . . . 99 LEU HD2 . 11248 1 1154 . 1 1 99 99 LEU HD22 H 1 0.935 0.030 . 1 . . . . 99 LEU HD2 . 11248 1 1155 . 1 1 99 99 LEU HD23 H 1 0.935 0.030 . 1 . . . . 99 LEU HD2 . 11248 1 1156 . 1 1 99 99 LEU HG H 1 1.499 0.030 . 1 . . . . 99 LEU HG . 11248 1 1157 . 1 1 99 99 LEU C C 13 174.063 0.300 . 1 . . . . 99 LEU C . 11248 1 1158 . 1 1 99 99 LEU CA C 13 52.853 0.300 . 1 . . . . 99 LEU CA . 11248 1 1159 . 1 1 99 99 LEU CB C 13 46.201 0.300 . 1 . . . . 99 LEU CB . 11248 1 1160 . 1 1 99 99 LEU CD1 C 13 26.530 0.300 . 2 . . . . 99 LEU CD1 . 11248 1 1161 . 1 1 99 99 LEU CD2 C 13 24.736 0.300 . 2 . . . . 99 LEU CD2 . 11248 1 1162 . 1 1 99 99 LEU CG C 13 26.539 0.300 . 1 . . . . 99 LEU CG . 11248 1 1163 . 1 1 99 99 LEU N N 15 124.051 0.300 . 1 . . . . 99 LEU N . 11248 1 1164 . 1 1 100 100 LEU H H 1 8.148 0.030 . 1 . . . . 100 LEU H . 11248 1 1165 . 1 1 100 100 LEU HA H 1 5.112 0.030 . 1 . . . . 100 LEU HA . 11248 1 1166 . 1 1 100 100 LEU HB2 H 1 1.814 0.030 . 2 . . . . 100 LEU HB2 . 11248 1 1167 . 1 1 100 100 LEU HB3 H 1 1.435 0.030 . 2 . . . . 100 LEU HB3 . 11248 1 1168 . 1 1 100 100 LEU HD11 H 1 0.788 0.030 . 1 . . . . 100 LEU HD1 . 11248 1 1169 . 1 1 100 100 LEU HD12 H 1 0.788 0.030 . 1 . . . . 100 LEU HD1 . 11248 1 1170 . 1 1 100 100 LEU HD13 H 1 0.788 0.030 . 1 . . . . 100 LEU HD1 . 11248 1 1171 . 1 1 100 100 LEU HD21 H 1 0.798 0.030 . 1 . . . . 100 LEU HD2 . 11248 1 1172 . 1 1 100 100 LEU HD22 H 1 0.798 0.030 . 1 . . . . 100 LEU HD2 . 11248 1 1173 . 1 1 100 100 LEU HD23 H 1 0.798 0.030 . 1 . . . . 100 LEU HD2 . 11248 1 1174 . 1 1 100 100 LEU HG H 1 1.213 0.030 . 1 . . . . 100 LEU HG . 11248 1 1175 . 1 1 100 100 LEU C C 13 175.349 0.300 . 1 . . . . 100 LEU C . 11248 1 1176 . 1 1 100 100 LEU CA C 13 54.173 0.300 . 1 . . . . 100 LEU CA . 11248 1 1177 . 1 1 100 100 LEU CB C 13 44.110 0.300 . 1 . . . . 100 LEU CB . 11248 1 1178 . 1 1 100 100 LEU CD1 C 13 25.679 0.300 . 2 . . . . 100 LEU CD1 . 11248 1 1179 . 1 1 100 100 LEU CD2 C 13 23.416 0.300 . 2 . . . . 100 LEU CD2 . 11248 1 1180 . 1 1 100 100 LEU CG C 13 27.347 0.300 . 1 . . . . 100 LEU CG . 11248 1 1181 . 1 1 100 100 LEU N N 15 125.768 0.300 . 1 . . . . 100 LEU N . 11248 1 1182 . 1 1 101 101 ILE H H 1 9.284 0.030 . 1 . . . . 101 ILE H . 11248 1 1183 . 1 1 101 101 ILE HA H 1 5.045 0.030 . 1 . . . . 101 ILE HA . 11248 1 1184 . 1 1 101 101 ILE HB H 1 1.727 0.030 . 1 . . . . 101 ILE HB . 11248 1 1185 . 1 1 101 101 ILE HD11 H 1 0.663 0.030 . 1 . . . . 101 ILE HD1 . 11248 1 1186 . 1 1 101 101 ILE HD12 H 1 0.663 0.030 . 1 . . . . 101 ILE HD1 . 11248 1 1187 . 1 1 101 101 ILE HD13 H 1 0.663 0.030 . 1 . . . . 101 ILE HD1 . 11248 1 1188 . 1 1 101 101 ILE HG12 H 1 1.419 0.030 . 2 . . . . 101 ILE HG12 . 11248 1 1189 . 1 1 101 101 ILE HG13 H 1 0.999 0.030 . 2 . . . . 101 ILE HG13 . 11248 1 1190 . 1 1 101 101 ILE HG21 H 1 0.814 0.030 . 1 . . . . 101 ILE HG2 . 11248 1 1191 . 1 1 101 101 ILE HG22 H 1 0.814 0.030 . 1 . . . . 101 ILE HG2 . 11248 1 1192 . 1 1 101 101 ILE HG23 H 1 0.814 0.030 . 1 . . . . 101 ILE HG2 . 11248 1 1193 . 1 1 101 101 ILE C C 13 173.951 0.300 . 1 . . . . 101 ILE C . 11248 1 1194 . 1 1 101 101 ILE CA C 13 59.519 0.300 . 1 . . . . 101 ILE CA . 11248 1 1195 . 1 1 101 101 ILE CB C 13 41.093 0.300 . 1 . . . . 101 ILE CB . 11248 1 1196 . 1 1 101 101 ILE CD1 C 13 13.755 0.300 . 1 . . . . 101 ILE CD1 . 11248 1 1197 . 1 1 101 101 ILE CG1 C 13 27.506 0.300 . 1 . . . . 101 ILE CG1 . 11248 1 1198 . 1 1 101 101 ILE CG2 C 13 17.928 0.300 . 1 . . . . 101 ILE CG2 . 11248 1 1199 . 1 1 101 101 ILE N N 15 127.769 0.300 . 1 . . . . 101 ILE N . 11248 1 1200 . 1 1 102 102 GLU H H 1 9.490 0.030 . 1 . . . . 102 GLU H . 11248 1 1201 . 1 1 102 102 GLU HA H 1 5.041 0.030 . 1 . . . . 102 GLU HA . 11248 1 1202 . 1 1 102 102 GLU HB2 H 1 2.166 0.030 . 2 . . . . 102 GLU HB2 . 11248 1 1203 . 1 1 102 102 GLU HB3 H 1 1.835 0.030 . 2 . . . . 102 GLU HB3 . 11248 1 1204 . 1 1 102 102 GLU HG2 H 1 1.921 0.030 . 2 . . . . 102 GLU HG2 . 11248 1 1205 . 1 1 102 102 GLU HG3 H 1 2.088 0.030 . 2 . . . . 102 GLU HG3 . 11248 1 1206 . 1 1 102 102 GLU C C 13 174.296 0.300 . 1 . . . . 102 GLU C . 11248 1 1207 . 1 1 102 102 GLU CA C 13 54.552 0.300 . 1 . . . . 102 GLU CA . 11248 1 1208 . 1 1 102 102 GLU CB C 13 33.564 0.300 . 1 . . . . 102 GLU CB . 11248 1 1209 . 1 1 102 102 GLU CG C 13 37.058 0.300 . 1 . . . . 102 GLU CG . 11248 1 1210 . 1 1 102 102 GLU N N 15 128.251 0.300 . 1 . . . . 102 GLU N . 11248 1 1211 . 1 1 103 103 HIS H H 1 8.895 0.030 . 1 . . . . 103 HIS H . 11248 1 1212 . 1 1 103 103 HIS HA H 1 4.999 0.030 . 1 . . . . 103 HIS HA . 11248 1 1213 . 1 1 103 103 HIS HB2 H 1 3.182 0.030 . 2 . . . . 103 HIS HB2 . 11248 1 1214 . 1 1 103 103 HIS HB3 H 1 2.949 0.030 . 2 . . . . 103 HIS HB3 . 11248 1 1215 . 1 1 103 103 HIS HD2 H 1 6.948 0.030 . 1 . . . . 103 HIS HD2 . 11248 1 1216 . 1 1 103 103 HIS C C 13 172.935 0.300 . 1 . . . . 103 HIS C . 11248 1 1217 . 1 1 103 103 HIS CA C 13 54.241 0.300 . 1 . . . . 103 HIS CA . 11248 1 1218 . 1 1 103 103 HIS CB C 13 30.612 0.300 . 1 . . . . 103 HIS CB . 11248 1 1219 . 1 1 103 103 HIS CD2 C 13 121.401 0.300 . 1 . . . . 103 HIS CD2 . 11248 1 1220 . 1 1 103 103 HIS N N 15 125.965 0.300 . 1 . . . . 103 HIS N . 11248 1 1221 . 1 1 104 104 ASP H H 1 8.553 0.030 . 1 . . . . 104 ASP H . 11248 1 1222 . 1 1 104 104 ASP HA H 1 4.958 0.030 . 1 . . . . 104 ASP HA . 11248 1 1223 . 1 1 104 104 ASP HB2 H 1 2.747 0.030 . 2 . . . . 104 ASP HB2 . 11248 1 1224 . 1 1 104 104 ASP HB3 H 1 2.345 0.030 . 2 . . . . 104 ASP HB3 . 11248 1 1225 . 1 1 104 104 ASP C C 13 173.811 0.300 . 1 . . . . 104 ASP C . 11248 1 1226 . 1 1 104 104 ASP CA C 13 51.435 0.300 . 1 . . . . 104 ASP CA . 11248 1 1227 . 1 1 104 104 ASP CB C 13 41.456 0.300 . 1 . . . . 104 ASP CB . 11248 1 1228 . 1 1 104 104 ASP N N 15 125.366 0.300 . 1 . . . . 104 ASP N . 11248 1 1229 . 1 1 105 105 PRO HA H 1 4.292 0.030 . 1 . . . . 105 PRO HA . 11248 1 1230 . 1 1 105 105 PRO HB2 H 1 2.167 0.030 . 2 . . . . 105 PRO HB2 . 11248 1 1231 . 1 1 105 105 PRO HB3 H 1 1.911 0.030 . 2 . . . . 105 PRO HB3 . 11248 1 1232 . 1 1 105 105 PRO HD2 H 1 3.531 0.030 . 2 . . . . 105 PRO HD2 . 11248 1 1233 . 1 1 105 105 PRO HD3 H 1 3.840 0.030 . 2 . . . . 105 PRO HD3 . 11248 1 1234 . 1 1 105 105 PRO HG2 H 1 1.961 0.030 . 1 . . . . 105 PRO HG2 . 11248 1 1235 . 1 1 105 105 PRO HG3 H 1 1.961 0.030 . 1 . . . . 105 PRO HG3 . 11248 1 1236 . 1 1 105 105 PRO C C 13 176.790 0.300 . 1 . . . . 105 PRO C . 11248 1 1237 . 1 1 105 105 PRO CA C 13 62.977 0.300 . 1 . . . . 105 PRO CA . 11248 1 1238 . 1 1 105 105 PRO CB C 13 32.248 0.300 . 1 . . . . 105 PRO CB . 11248 1 1239 . 1 1 105 105 PRO CD C 13 50.495 0.300 . 1 . . . . 105 PRO CD . 11248 1 1240 . 1 1 105 105 PRO CG C 13 27.112 0.300 . 1 . . . . 105 PRO CG . 11248 1 1241 . 1 1 106 106 VAL H H 1 8.110 0.030 . 1 . . . . 106 VAL H . 11248 1 1242 . 1 1 106 106 VAL HA H 1 4.276 0.030 . 1 . . . . 106 VAL HA . 11248 1 1243 . 1 1 106 106 VAL HB H 1 2.076 0.030 . 1 . . . . 106 VAL HB . 11248 1 1244 . 1 1 106 106 VAL HG11 H 1 0.933 0.030 . 1 . . . . 106 VAL HG1 . 11248 1 1245 . 1 1 106 106 VAL HG12 H 1 0.933 0.030 . 1 . . . . 106 VAL HG1 . 11248 1 1246 . 1 1 106 106 VAL HG13 H 1 0.933 0.030 . 1 . . . . 106 VAL HG1 . 11248 1 1247 . 1 1 106 106 VAL HG21 H 1 0.925 0.030 . 1 . . . . 106 VAL HG2 . 11248 1 1248 . 1 1 106 106 VAL HG22 H 1 0.925 0.030 . 1 . . . . 106 VAL HG2 . 11248 1 1249 . 1 1 106 106 VAL HG23 H 1 0.925 0.030 . 1 . . . . 106 VAL HG2 . 11248 1 1250 . 1 1 106 106 VAL C C 13 174.356 0.300 . 1 . . . . 106 VAL C . 11248 1 1251 . 1 1 106 106 VAL CA C 13 60.364 0.300 . 1 . . . . 106 VAL CA . 11248 1 1252 . 1 1 106 106 VAL CB C 13 32.169 0.300 . 1 . . . . 106 VAL CB . 11248 1 1253 . 1 1 106 106 VAL CG1 C 13 21.052 0.300 . 2 . . . . 106 VAL CG1 . 11248 1 1254 . 1 1 106 106 VAL CG2 C 13 20.865 0.300 . 2 . . . . 106 VAL CG2 . 11248 1 1255 . 1 1 106 106 VAL N N 15 121.858 0.300 . 1 . . . . 106 VAL N . 11248 1 1256 . 1 1 107 107 PRO HA H 1 4.363 0.030 . 1 . . . . 107 PRO HA . 11248 1 1257 . 1 1 107 107 PRO HB2 H 1 2.268 0.030 . 2 . . . . 107 PRO HB2 . 11248 1 1258 . 1 1 107 107 PRO HB3 H 1 1.841 0.030 . 2 . . . . 107 PRO HB3 . 11248 1 1259 . 1 1 107 107 PRO HD2 H 1 3.811 0.030 . 2 . . . . 107 PRO HD2 . 11248 1 1260 . 1 1 107 107 PRO HD3 H 1 3.621 0.030 . 2 . . . . 107 PRO HD3 . 11248 1 1261 . 1 1 107 107 PRO HG2 H 1 2.004 0.030 . 2 . . . . 107 PRO HG2 . 11248 1 1262 . 1 1 107 107 PRO HG3 H 1 1.959 0.030 . 2 . . . . 107 PRO HG3 . 11248 1 1263 . 1 1 107 107 PRO C C 13 176.950 0.300 . 1 . . . . 107 PRO C . 11248 1 1264 . 1 1 107 107 PRO CA C 13 63.304 0.300 . 1 . . . . 107 PRO CA . 11248 1 1265 . 1 1 107 107 PRO CB C 13 32.017 0.300 . 1 . . . . 107 PRO CB . 11248 1 1266 . 1 1 107 107 PRO CD C 13 50.831 0.300 . 1 . . . . 107 PRO CD . 11248 1 1267 . 1 1 107 107 PRO CG C 13 27.430 0.300 . 1 . . . . 107 PRO CG . 11248 1 1268 . 1 1 108 108 GLN H H 1 8.391 0.030 . 1 . . . . 108 GLN H . 11248 1 1269 . 1 1 108 108 GLN HA H 1 4.264 0.030 . 1 . . . . 108 GLN HA . 11248 1 1270 . 1 1 108 108 GLN HB2 H 1 2.051 0.030 . 2 . . . . 108 GLN HB2 . 11248 1 1271 . 1 1 108 108 GLN HB3 H 1 1.953 0.030 . 2 . . . . 108 GLN HB3 . 11248 1 1272 . 1 1 108 108 GLN HE21 H 1 7.570 0.030 . 2 . . . . 108 GLN HE21 . 11248 1 1273 . 1 1 108 108 GLN HE22 H 1 6.863 0.030 . 2 . . . . 108 GLN HE22 . 11248 1 1274 . 1 1 108 108 GLN HG2 H 1 2.365 0.030 . 1 . . . . 108 GLN HG2 . 11248 1 1275 . 1 1 108 108 GLN HG3 H 1 2.365 0.030 . 1 . . . . 108 GLN HG3 . 11248 1 1276 . 1 1 108 108 GLN C C 13 175.935 0.300 . 1 . . . . 108 GLN C . 11248 1 1277 . 1 1 108 108 GLN CA C 13 55.786 0.300 . 1 . . . . 108 GLN CA . 11248 1 1278 . 1 1 108 108 GLN CB C 13 29.616 0.300 . 1 . . . . 108 GLN CB . 11248 1 1279 . 1 1 108 108 GLN CG C 13 33.803 0.300 . 1 . . . . 108 GLN CG . 11248 1 1280 . 1 1 108 108 GLN N N 15 120.541 0.300 . 1 . . . . 108 GLN N . 11248 1 1281 . 1 1 108 108 GLN NE2 N 15 112.759 0.300 . 1 . . . . 108 GLN NE2 . 11248 1 1282 . 1 1 109 109 ARG H H 1 8.381 0.030 . 1 . . . . 109 ARG H . 11248 1 1283 . 1 1 109 109 ARG HA H 1 4.332 0.030 . 1 . . . . 109 ARG HA . 11248 1 1284 . 1 1 109 109 ARG HB2 H 1 1.855 0.030 . 2 . . . . 109 ARG HB2 . 11248 1 1285 . 1 1 109 109 ARG HB3 H 1 1.756 0.030 . 2 . . . . 109 ARG HB3 . 11248 1 1286 . 1 1 109 109 ARG HD2 H 1 3.188 0.030 . 1 . . . . 109 ARG HD2 . 11248 1 1287 . 1 1 109 109 ARG HD3 H 1 3.188 0.030 . 1 . . . . 109 ARG HD3 . 11248 1 1288 . 1 1 109 109 ARG HG2 H 1 1.616 0.030 . 2 . . . . 109 ARG HG2 . 11248 1 1289 . 1 1 109 109 ARG HG3 H 1 1.580 0.030 . 2 . . . . 109 ARG HG3 . 11248 1 1290 . 1 1 109 109 ARG C C 13 176.254 0.300 . 1 . . . . 109 ARG C . 11248 1 1291 . 1 1 109 109 ARG CA C 13 55.986 0.300 . 1 . . . . 109 ARG CA . 11248 1 1292 . 1 1 109 109 ARG CB C 13 30.850 0.300 . 1 . . . . 109 ARG CB . 11248 1 1293 . 1 1 109 109 ARG CD C 13 43.288 0.300 . 1 . . . . 109 ARG CD . 11248 1 1294 . 1 1 109 109 ARG CG C 13 27.009 0.300 . 1 . . . . 109 ARG CG . 11248 1 1295 . 1 1 109 109 ARG N N 15 122.743 0.300 . 1 . . . . 109 ARG N . 11248 1 1296 . 1 1 110 110 LEU H H 1 8.415 0.030 . 1 . . . . 110 LEU H . 11248 1 1297 . 1 1 110 110 LEU HA H 1 4.360 0.030 . 1 . . . . 110 LEU HA . 11248 1 1298 . 1 1 110 110 LEU HB2 H 1 1.631 0.030 . 2 . . . . 110 LEU HB2 . 11248 1 1299 . 1 1 110 110 LEU HB3 H 1 1.586 0.030 . 2 . . . . 110 LEU HB3 . 11248 1 1300 . 1 1 110 110 LEU HD11 H 1 0.916 0.030 . 1 . . . . 110 LEU HD1 . 11248 1 1301 . 1 1 110 110 LEU HD12 H 1 0.916 0.030 . 1 . . . . 110 LEU HD1 . 11248 1 1302 . 1 1 110 110 LEU HD13 H 1 0.916 0.030 . 1 . . . . 110 LEU HD1 . 11248 1 1303 . 1 1 110 110 LEU HD21 H 1 0.853 0.030 . 1 . . . . 110 LEU HD2 . 11248 1 1304 . 1 1 110 110 LEU HD22 H 1 0.853 0.030 . 1 . . . . 110 LEU HD2 . 11248 1 1305 . 1 1 110 110 LEU HD23 H 1 0.853 0.030 . 1 . . . . 110 LEU HD2 . 11248 1 1306 . 1 1 110 110 LEU HG H 1 1.593 0.030 . 1 . . . . 110 LEU HG . 11248 1 1307 . 1 1 110 110 LEU C C 13 177.101 0.300 . 1 . . . . 110 LEU C . 11248 1 1308 . 1 1 110 110 LEU CA C 13 55.194 0.300 . 1 . . . . 110 LEU CA . 11248 1 1309 . 1 1 110 110 LEU CB C 13 42.325 0.300 . 1 . . . . 110 LEU CB . 11248 1 1310 . 1 1 110 110 LEU CD1 C 13 24.827 0.300 . 2 . . . . 110 LEU CD1 . 11248 1 1311 . 1 1 110 110 LEU CD2 C 13 23.414 0.300 . 2 . . . . 110 LEU CD2 . 11248 1 1312 . 1 1 110 110 LEU CG C 13 27.076 0.300 . 1 . . . . 110 LEU CG . 11248 1 1313 . 1 1 110 110 LEU N N 15 124.034 0.300 . 1 . . . . 110 LEU N . 11248 1 1314 . 1 1 111 111 ASP H H 1 8.378 0.030 . 1 . . . . 111 ASP H . 11248 1 1315 . 1 1 111 111 ASP HA H 1 4.578 0.030 . 1 . . . . 111 ASP HA . 11248 1 1316 . 1 1 111 111 ASP HB2 H 1 2.679 0.030 . 1 . . . . 111 ASP HB2 . 11248 1 1317 . 1 1 111 111 ASP HB3 H 1 2.679 0.030 . 1 . . . . 111 ASP HB3 . 11248 1 1318 . 1 1 111 111 ASP C C 13 176.216 0.300 . 1 . . . . 111 ASP C . 11248 1 1319 . 1 1 111 111 ASP CA C 13 54.248 0.300 . 1 . . . . 111 ASP CA . 11248 1 1320 . 1 1 111 111 ASP CB C 13 40.928 0.300 . 1 . . . . 111 ASP CB . 11248 1 1321 . 1 1 111 111 ASP N N 15 120.776 0.300 . 1 . . . . 111 ASP N . 11248 1 1322 . 1 1 112 112 GLN H H 1 8.290 0.030 . 1 . . . . 112 GLN H . 11248 1 1323 . 1 1 112 112 GLN HA H 1 4.398 0.030 . 1 . . . . 112 GLN HA . 11248 1 1324 . 1 1 112 112 GLN HB2 H 1 2.188 0.030 . 2 . . . . 112 GLN HB2 . 11248 1 1325 . 1 1 112 112 GLN HB3 H 1 1.972 0.030 . 2 . . . . 112 GLN HB3 . 11248 1 1326 . 1 1 112 112 GLN HG2 H 1 2.368 0.030 . 1 . . . . 112 GLN HG2 . 11248 1 1327 . 1 1 112 112 GLN HG3 H 1 2.368 0.030 . 1 . . . . 112 GLN HG3 . 11248 1 1328 . 1 1 112 112 GLN C C 13 175.986 0.300 . 1 . . . . 112 GLN C . 11248 1 1329 . 1 1 112 112 GLN CA C 13 55.711 0.300 . 1 . . . . 112 GLN CA . 11248 1 1330 . 1 1 112 112 GLN CB C 13 29.428 0.300 . 1 . . . . 112 GLN CB . 11248 1 1331 . 1 1 112 112 GLN CG C 13 33.803 0.300 . 1 . . . . 112 GLN CG . 11248 1 1332 . 1 1 112 112 GLN N N 15 120.649 0.300 . 1 . . . . 112 GLN N . 11248 1 1333 . 1 1 113 113 SER H H 1 8.381 0.030 . 1 . . . . 113 SER H . 11248 1 1334 . 1 1 113 113 SER HA H 1 4.466 0.030 . 1 . . . . 113 SER HA . 11248 1 1335 . 1 1 113 113 SER HB2 H 1 3.892 0.030 . 1 . . . . 113 SER HB2 . 11248 1 1336 . 1 1 113 113 SER HB3 H 1 3.892 0.030 . 1 . . . . 113 SER HB3 . 11248 1 1337 . 1 1 113 113 SER C C 13 174.603 0.300 . 1 . . . . 113 SER C . 11248 1 1338 . 1 1 113 113 SER CA C 13 58.699 0.300 . 1 . . . . 113 SER CA . 11248 1 1339 . 1 1 113 113 SER CB C 13 64.017 0.300 . 1 . . . . 113 SER CB . 11248 1 1340 . 1 1 113 113 SER N N 15 116.980 0.300 . 1 . . . . 113 SER N . 11248 1 1341 . 1 1 114 114 GLY H H 1 8.233 0.030 . 1 . . . . 114 GLY H . 11248 1 1342 . 1 1 114 114 GLY HA2 H 1 4.178 0.030 . 2 . . . . 114 GLY HA2 . 11248 1 1343 . 1 1 114 114 GLY HA3 H 1 4.080 0.030 . 2 . . . . 114 GLY HA3 . 11248 1 1344 . 1 1 114 114 GLY C C 13 171.753 0.300 . 1 . . . . 114 GLY C . 11248 1 1345 . 1 1 114 114 GLY CA C 13 44.656 0.300 . 1 . . . . 114 GLY CA . 11248 1 1346 . 1 1 114 114 GLY N N 15 110.641 0.300 . 1 . . . . 114 GLY N . 11248 1 1347 . 1 1 115 115 PRO HA H 1 4.482 0.030 . 1 . . . . 115 PRO HA . 11248 1 1348 . 1 1 115 115 PRO HB2 H 1 2.295 0.030 . 2 . . . . 115 PRO HB2 . 11248 1 1349 . 1 1 115 115 PRO HB3 H 1 2.007 0.030 . 2 . . . . 115 PRO HB3 . 11248 1 1350 . 1 1 115 115 PRO HD2 H 1 3.636 0.030 . 1 . . . . 115 PRO HD2 . 11248 1 1351 . 1 1 115 115 PRO HD3 H 1 3.636 0.030 . 1 . . . . 115 PRO HD3 . 11248 1 1352 . 1 1 115 115 PRO HG2 H 1 2.026 0.030 . 1 . . . . 115 PRO HG2 . 11248 1 1353 . 1 1 115 115 PRO HG3 H 1 2.026 0.030 . 1 . . . . 115 PRO HG3 . 11248 1 1354 . 1 1 115 115 PRO C C 13 177.412 0.300 . 1 . . . . 115 PRO C . 11248 1 1355 . 1 1 115 115 PRO CA C 13 63.239 0.300 . 1 . . . . 115 PRO CA . 11248 1 1356 . 1 1 115 115 PRO CB C 13 32.190 0.300 . 1 . . . . 115 PRO CB . 11248 1 1357 . 1 1 115 115 PRO CD C 13 49.761 0.300 . 1 . . . . 115 PRO CD . 11248 1 1358 . 1 1 115 115 PRO CG C 13 27.195 0.300 . 1 . . . . 115 PRO CG . 11248 1 1359 . 1 1 116 116 SER H H 1 8.557 0.030 . 1 . . . . 116 SER H . 11248 1 1360 . 1 1 116 116 SER HA H 1 4.492 0.030 . 1 . . . . 116 SER HA . 11248 1 1361 . 1 1 116 116 SER HB2 H 1 3.906 0.030 . 1 . . . . 116 SER HB2 . 11248 1 1362 . 1 1 116 116 SER HB3 H 1 3.906 0.030 . 1 . . . . 116 SER HB3 . 11248 1 1363 . 1 1 116 116 SER C C 13 174.690 0.300 . 1 . . . . 116 SER C . 11248 1 1364 . 1 1 116 116 SER CA C 13 58.347 0.300 . 1 . . . . 116 SER CA . 11248 1 1365 . 1 1 116 116 SER CB C 13 63.895 0.300 . 1 . . . . 116 SER CB . 11248 1 1366 . 1 1 116 116 SER N N 15 116.539 0.300 . 1 . . . . 116 SER N . 11248 1 1367 . 1 1 117 117 SER H H 1 8.362 0.030 . 1 . . . . 117 SER H . 11248 1 1368 . 1 1 117 117 SER HA H 1 4.484 0.030 . 1 . . . . 117 SER HA . 11248 1 1369 . 1 1 117 117 SER HB2 H 1 3.898 0.030 . 1 . . . . 117 SER HB2 . 11248 1 1370 . 1 1 117 117 SER HB3 H 1 3.898 0.030 . 1 . . . . 117 SER HB3 . 11248 1 1371 . 1 1 117 117 SER C C 13 173.933 0.300 . 1 . . . . 117 SER C . 11248 1 1372 . 1 1 117 117 SER CA C 13 58.379 0.300 . 1 . . . . 117 SER CA . 11248 1 1373 . 1 1 117 117 SER CB C 13 63.927 0.300 . 1 . . . . 117 SER CB . 11248 1 1374 . 1 1 117 117 SER N N 15 117.974 0.300 . 1 . . . . 117 SER N . 11248 1 1375 . 1 1 118 118 GLY H H 1 8.040 0.030 . 1 . . . . 118 GLY H . 11248 1 1376 . 1 1 118 118 GLY HA2 H 1 3.771 0.030 . 1 . . . . 118 GLY HA2 . 11248 1 1377 . 1 1 118 118 GLY HA3 H 1 3.771 0.030 . 1 . . . . 118 GLY HA3 . 11248 1 1378 . 1 1 118 118 GLY C C 13 179.018 0.300 . 1 . . . . 118 GLY C . 11248 1 1379 . 1 1 118 118 GLY CA C 13 46.223 0.300 . 1 . . . . 118 GLY CA . 11248 1 1380 . 1 1 118 118 GLY N N 15 116.863 0.300 . 1 . . . . 118 GLY N . 11248 1 stop_ save_