data_18425 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18425 _Entry.Title ; Resonance Assignments of Ca2+-bound human S100A11 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-25 _Entry.Accession_date 2012-04-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kuo-Wei Hung . . . 18425 2 Yuan-Ming Chang . . . 18425 3 Chin Yu . . . 18425 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18425 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 18425 '15N chemical shifts' 87 18425 '1H chemical shifts' 498 18425 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 2 . . 2014-02-24 2012-04-25 update BMRB 'update entry citation' 18425 1 . . 2012-09-14 2012-04-25 original author 'original release' 18425 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LUC 'BMRB Entry Tracking System' 18425 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18425 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22825890 _Citation.Full_citation . _Citation.Title 'Resonance assignments of Ca2+-bound human S100A11.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 211 _Citation.Page_last 214 _Citation.Year 2013 _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 Kuo-Wei Hung . . . 18425 1 2 Yuan-Ming Chang . . . 18425 1 3 Chin Yu . . . 18425 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18425 _Assembly.ID 1 _Assembly.Name 'S100A11 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'S100A11, chain 1' 1 $S100A11 A . yes native no no . . . 18425 1 2 'S100A11, chain 2' 1 $S100A11 B . yes native no no . . . 18425 1 3 'Ca2+, 1' 2 $entity_CA A . no native no no . . . 18425 1 4 'Ca2+, 2' 2 $entity_CA B . no native no no . . . 18425 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A11 _Entity.Sf_category entity _Entity.Sf_framecode S100A11 _Entity.Entry_ID 18425 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A11 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAKISSPTETERCIESLIAV FQKYAGKDGYNYTLSKTEFL SFMNTELAAFTKNQKDPGVL DRMMKKLDTNSDGQLDFSEF LNLIGGLAMACHDSFLKAVP SQKRT ; _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 105 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LUC . "Solution Structure Of Human S100 Calcium-binding Protein A11" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 2 no DBJ BAA07597 . "calgizzarin [Homo sapiens]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 3 no DBJ BAA08354 . "human S100C protein [Homo sapiens]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 4 no DBJ BAA23325 . "calcium binding protein [Homo sapiens]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 5 no DBJ BAG35117 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 105 99.05 99.05 1.44e-69 . . . . 18425 1 6 no DBJ BAG73698 . "S100 calcium binding protein A11 [synthetic construct]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 7 no EMBL CAA56492 . "MLN 70, S100 C [Homo sapiens]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 8 no GB AAH01410 . "S100 calcium binding protein A11 [Homo sapiens]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 9 no GB AAH14354 . "S100 calcium binding protein A11 [Homo sapiens]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 10 no GB AAP36737 . "Homo sapiens S100 calcium binding protein A11 (calgizzarin) [synthetic construct]" . . . . . 100.00 106 100.00 100.00 9.09e-71 . . . . 18425 1 11 no GB AAP88914 . "S100 calcium binding protein A11 (calgizzarin) [Homo sapiens]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 12 no GB AAX32121 . "S100 calcium binding protein A11 [synthetic construct]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 13 no REF NP_001244459 . "protein S100-A11-like [Macaca mulatta]" . . . . . 99.05 105 98.08 100.00 1.57e-69 . . . . 18425 1 14 no REF NP_005611 . "protein S100-A11 [Homo sapiens]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 15 no REF XP_002810252 . "PREDICTED: protein S100-A11 [Pongo abelii]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 16 no REF XP_003259306 . "PREDICTED: protein S100-A11 [Nomascus leucogenys]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 17 no REF XP_003339045 . "PREDICTED: protein S100-A11 [Pan troglodytes]" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 1 18 no SP P31949 . "RecName: Full=Protein S100-A11; AltName: Full=Calgizzarin; AltName: Full=Metastatic lymph node gene 70 protein; Short=MLN 70; A" . . . . . 100.00 105 100.00 100.00 1.11e-70 . . . . 18425 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 . MET . 18425 1 2 . ALA . 18425 1 3 . LYS . 18425 1 4 . ILE . 18425 1 5 . SER . 18425 1 6 . SER . 18425 1 7 . PRO . 18425 1 8 . THR . 18425 1 9 . GLU . 18425 1 10 . THR . 18425 1 11 . GLU . 18425 1 12 . ARG . 18425 1 13 . CYS . 18425 1 14 . ILE . 18425 1 15 . GLU . 18425 1 16 . SER . 18425 1 17 . LEU . 18425 1 18 . ILE . 18425 1 19 . ALA . 18425 1 20 . VAL . 18425 1 21 . PHE . 18425 1 22 . GLN . 18425 1 23 . LYS . 18425 1 24 . TYR . 18425 1 25 . ALA . 18425 1 26 . GLY . 18425 1 27 . LYS . 18425 1 28 . ASP . 18425 1 29 . GLY . 18425 1 30 . TYR . 18425 1 31 . ASN . 18425 1 32 . TYR . 18425 1 33 . THR . 18425 1 34 . LEU . 18425 1 35 . SER . 18425 1 36 . LYS . 18425 1 37 . THR . 18425 1 38 . GLU . 18425 1 39 . PHE . 18425 1 40 . LEU . 18425 1 41 . SER . 18425 1 42 . PHE . 18425 1 43 . MET . 18425 1 44 . ASN . 18425 1 45 . THR . 18425 1 46 . GLU . 18425 1 47 . LEU . 18425 1 48 . ALA . 18425 1 49 . ALA . 18425 1 50 . PHE . 18425 1 51 . THR . 18425 1 52 . LYS . 18425 1 53 . ASN . 18425 1 54 . GLN . 18425 1 55 . LYS . 18425 1 56 . ASP . 18425 1 57 . PRO . 18425 1 58 . GLY . 18425 1 59 . VAL . 18425 1 60 . LEU . 18425 1 61 . ASP . 18425 1 62 . ARG . 18425 1 63 . MET . 18425 1 64 . MET . 18425 1 65 . LYS . 18425 1 66 . LYS . 18425 1 67 . LEU . 18425 1 68 . ASP . 18425 1 69 . THR . 18425 1 70 . ASN . 18425 1 71 . SER . 18425 1 72 . ASP . 18425 1 73 . GLY . 18425 1 74 . GLN . 18425 1 75 . LEU . 18425 1 76 . ASP . 18425 1 77 . PHE . 18425 1 78 . SER . 18425 1 79 . GLU . 18425 1 80 . PHE . 18425 1 81 . LEU . 18425 1 82 . ASN . 18425 1 83 . LEU . 18425 1 84 . ILE . 18425 1 85 . GLY . 18425 1 86 . GLY . 18425 1 87 . LEU . 18425 1 88 . ALA . 18425 1 89 . MET . 18425 1 90 . ALA . 18425 1 91 . CYS . 18425 1 92 . HIS . 18425 1 93 . ASP . 18425 1 94 . SER . 18425 1 95 . PHE . 18425 1 96 . LEU . 18425 1 97 . LYS . 18425 1 98 . ALA . 18425 1 99 . VAL . 18425 1 100 . PRO . 18425 1 101 . SER . 18425 1 102 . GLN . 18425 1 103 . LYS . 18425 1 104 . ARG . 18425 1 105 . THR . 18425 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 . MET 1 1 18425 1 . ALA 2 2 18425 1 . LYS 3 3 18425 1 . ILE 4 4 18425 1 . SER 5 5 18425 1 . SER 6 6 18425 1 . PRO 7 7 18425 1 . THR 8 8 18425 1 . GLU 9 9 18425 1 . THR 10 10 18425 1 . GLU 11 11 18425 1 . ARG 12 12 18425 1 . CYS 13 13 18425 1 . ILE 14 14 18425 1 . GLU 15 15 18425 1 . SER 16 16 18425 1 . LEU 17 17 18425 1 . ILE 18 18 18425 1 . ALA 19 19 18425 1 . VAL 20 20 18425 1 . PHE 21 21 18425 1 . GLN 22 22 18425 1 . LYS 23 23 18425 1 . TYR 24 24 18425 1 . ALA 25 25 18425 1 . GLY 26 26 18425 1 . LYS 27 27 18425 1 . ASP 28 28 18425 1 . GLY 29 29 18425 1 . TYR 30 30 18425 1 . ASN 31 31 18425 1 . TYR 32 32 18425 1 . THR 33 33 18425 1 . LEU 34 34 18425 1 . SER 35 35 18425 1 . LYS 36 36 18425 1 . THR 37 37 18425 1 . GLU 38 38 18425 1 . PHE 39 39 18425 1 . LEU 40 40 18425 1 . SER 41 41 18425 1 . PHE 42 42 18425 1 . MET 43 43 18425 1 . ASN 44 44 18425 1 . THR 45 45 18425 1 . GLU 46 46 18425 1 . LEU 47 47 18425 1 . ALA 48 48 18425 1 . ALA 49 49 18425 1 . PHE 50 50 18425 1 . THR 51 51 18425 1 . LYS 52 52 18425 1 . ASN 53 53 18425 1 . GLN 54 54 18425 1 . LYS 55 55 18425 1 . ASP 56 56 18425 1 . PRO 57 57 18425 1 . GLY 58 58 18425 1 . VAL 59 59 18425 1 . LEU 60 60 18425 1 . ASP 61 61 18425 1 . ARG 62 62 18425 1 . MET 63 63 18425 1 . MET 64 64 18425 1 . LYS 65 65 18425 1 . LYS 66 66 18425 1 . LEU 67 67 18425 1 . ASP 68 68 18425 1 . THR 69 69 18425 1 . ASN 70 70 18425 1 . SER 71 71 18425 1 . ASP 72 72 18425 1 . GLY 73 73 18425 1 . GLN 74 74 18425 1 . LEU 75 75 18425 1 . ASP 76 76 18425 1 . PHE 77 77 18425 1 . SER 78 78 18425 1 . GLU 79 79 18425 1 . PHE 80 80 18425 1 . LEU 81 81 18425 1 . ASN 82 82 18425 1 . LEU 83 83 18425 1 . ILE 84 84 18425 1 . GLY 85 85 18425 1 . GLY 86 86 18425 1 . LEU 87 87 18425 1 . ALA 88 88 18425 1 . MET 89 89 18425 1 . ALA 90 90 18425 1 . CYS 91 91 18425 1 . HIS 92 92 18425 1 . ASP 93 93 18425 1 . SER 94 94 18425 1 . PHE 95 95 18425 1 . LEU 96 96 18425 1 . LYS 97 97 18425 1 . ALA 98 98 18425 1 . VAL 99 99 18425 1 . PRO 100 100 18425 1 . SER 101 101 18425 1 . GLN 102 102 18425 1 . LYS 103 103 18425 1 . ARG 104 104 18425 1 . THR 105 105 18425 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 18425 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 18425 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 18425 2 CA 'Three letter code' 18425 2 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 1 CA $chem_comp_CA 18425 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 18425 2 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 18425 _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 $S100A11 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18425 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 18425 _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 $S100A11 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET20b . . . . . . 18425 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18425 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18425 CA [Ca++] SMILES CACTVS 3.341 18425 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18425 CA [Ca+2] SMILES ACDLabs 10.04 18425 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18425 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18425 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18425 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18425 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18425 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18425 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18425 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S100A11 '[U-100% 13C; U-100% 15N]' . . 1 $S100A11 . . 1 . . mM . . . . 18425 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 18425 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18425 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 18425 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18425 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18425 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18425 _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' 0.0725 . M 18425 1 pH 7.5 . pH 18425 1 pressure 1 . atm 18425 1 temperature 298 . K 18425 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18425 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18425 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18425 1 processing 18425 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18425 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18425 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18425 2 'data analysis' 18425 2 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 18425 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18425 _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 VNMRS . 700 . . . 18425 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 18425 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18425 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18425 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18425 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18425 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18425 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18425 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18425 1 2 '3D HNCA' . . . 18425 1 3 '3D HN(CO)CA' . . . 18425 1 4 '3D HNCO' . . . 18425 1 5 '3D HN(CA)CO' . . . 18425 1 6 '3D HNCACB' . . . 18425 1 7 '3D CBCA(CO)NH' . . . 18425 1 8 '3D HBHA(CO)NH' . . . 18425 1 9 '3D HCCH-TOCSY' . . . 18425 1 10 '3D HCCH-COSY' . . . 18425 1 11 '2D 1H-13C HSQC' . . . 18425 1 12 '3D H(CCO)NH' . . . 18425 1 13 '3D C(CO)NH' . . . 18425 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 PRO HA H 1 4.634 0.02 . 1 . . . . 7 PRO HA . 18425 1 2 . 1 1 7 7 PRO HB2 H 1 2.155 0.02 . 2 . . . . 7 PRO HB2 . 18425 1 3 . 1 1 7 7 PRO HB3 H 1 1.845 0.02 . 2 . . . . 7 PRO HB3 . 18425 1 4 . 1 1 7 7 PRO HG2 H 1 1.854 0.02 . 2 . . . . 7 PRO HG2 . 18425 1 5 . 1 1 7 7 PRO HD2 H 1 3.569 0.02 . 2 . . . . 7 PRO HD2 . 18425 1 6 . 1 1 7 7 PRO C C 13 177.908 0.02 . 1 . . . . 7 PRO C . 18425 1 7 . 1 1 7 7 PRO CA C 13 62.697 0.015 . 1 . . . . 7 PRO CA . 18425 1 8 . 1 1 7 7 PRO CB C 13 32.255 0.02 . 1 . . . . 7 PRO CB . 18425 1 9 . 1 1 7 7 PRO CG C 13 27.117 0.02 . 1 . . . . 7 PRO CG . 18425 1 10 . 1 1 8 8 THR H H 1 9.022 0.005 . 1 . . . . 8 THR H . 18425 1 11 . 1 1 8 8 THR HA H 1 4.314 0.02 . 1 . . . . 8 THR HA . 18425 1 12 . 1 1 8 8 THR HB H 1 4.819 0.01 . 1 . . . . 8 THR HB . 18425 1 13 . 1 1 8 8 THR HG21 H 1 1.358 0.02 . 1 . . . . 8 THR HG21 . 18425 1 14 . 1 1 8 8 THR HG22 H 1 1.358 0.02 . 1 . . . . 8 THR HG22 . 18425 1 15 . 1 1 8 8 THR HG23 H 1 1.358 0.02 . 1 . . . . 8 THR HG23 . 18425 1 16 . 1 1 8 8 THR C C 13 174.692 0.02 . 1 . . . . 8 THR C . 18425 1 17 . 1 1 8 8 THR CA C 13 60.971 0.009 . 1 . . . . 8 THR CA . 18425 1 18 . 1 1 8 8 THR CB C 13 70.818 0.027 . 1 . . . . 8 THR CB . 18425 1 19 . 1 1 8 8 THR CG2 C 13 21.93 0.02 . 1 . . . . 8 THR CG2 . 18425 1 20 . 1 1 8 8 THR N N 15 115.239 0.045 . 1 . . . . 8 THR N . 18425 1 21 . 1 1 9 9 GLU H H 1 9.452 0.006 . 1 . . . . 9 GLU H . 18425 1 22 . 1 1 9 9 GLU HA H 1 3.935 0.01 . 1 . . . . 9 GLU HA . 18425 1 23 . 1 1 9 9 GLU HB2 H 1 2.087 0.02 . 2 . . . . 9 GLU HB2 . 18425 1 24 . 1 1 9 9 GLU HG2 H 1 2.241 0.02 . 2 . . . . 9 GLU HG2 . 18425 1 25 . 1 1 9 9 GLU C C 13 179.73 0.02 . 1 . . . . 9 GLU C . 18425 1 26 . 1 1 9 9 GLU CA C 13 60.238 0.006 . 1 . . . . 9 GLU CA . 18425 1 27 . 1 1 9 9 GLU CB C 13 29.449 0.016 . 1 . . . . 9 GLU CB . 18425 1 28 . 1 1 9 9 GLU CG C 13 36.64 0.02 . 1 . . . . 9 GLU CG . 18425 1 29 . 1 1 9 9 GLU N N 15 122.031 0.044 . 1 . . . . 9 GLU N . 18425 1 30 . 1 1 10 10 THR H H 1 8.588 0.002 . 1 . . . . 10 THR H . 18425 1 31 . 1 1 10 10 THR HA H 1 3.715 0.004 . 1 . . . . 10 THR HA . 18425 1 32 . 1 1 10 10 THR HB H 1 3.795 0.02 . 1 . . . . 10 THR HB . 18425 1 33 . 1 1 10 10 THR HG21 H 1 1.023 0.02 . 1 . . . . 10 THR HG21 . 18425 1 34 . 1 1 10 10 THR HG22 H 1 1.023 0.02 . 1 . . . . 10 THR HG22 . 18425 1 35 . 1 1 10 10 THR HG23 H 1 1.023 0.02 . 1 . . . . 10 THR HG23 . 18425 1 36 . 1 1 10 10 THR C C 13 176.618 0.02 . 1 . . . . 10 THR C . 18425 1 37 . 1 1 10 10 THR CA C 13 68.81 0.058 . 1 . . . . 10 THR CA . 18425 1 38 . 1 1 10 10 THR CB C 13 67.931 0.02 . 1 . . . . 10 THR CB . 18425 1 39 . 1 1 10 10 THR CG2 C 13 21.718 0.02 . 1 . . . . 10 THR CG2 . 18425 1 40 . 1 1 10 10 THR N N 15 116.618 0.037 . 1 . . . . 10 THR N . 18425 1 41 . 1 1 11 11 GLU H H 1 7.642 0.006 . 1 . . . . 11 GLU H . 18425 1 42 . 1 1 11 11 GLU HA H 1 3.673 0.02 . 1 . . . . 11 GLU HA . 18425 1 43 . 1 1 11 11 GLU HB2 H 1 1.864 0.02 . 2 . . . . 11 GLU HB2 . 18425 1 44 . 1 1 11 11 GLU HG2 H 1 2.416 0.02 . 2 . . . . 11 GLU HG2 . 18425 1 45 . 1 1 11 11 GLU HG3 H 1 2.073 0.02 . 2 . . . . 11 GLU HG3 . 18425 1 46 . 1 1 11 11 GLU C C 13 179.749 0.02 . 1 . . . . 11 GLU C . 18425 1 47 . 1 1 11 11 GLU CA C 13 60.19 0.01 . 1 . . . . 11 GLU CA . 18425 1 48 . 1 1 11 11 GLU CB C 13 29.928 0.043 . 1 . . . . 11 GLU CB . 18425 1 49 . 1 1 11 11 GLU CG C 13 37.859 0.001 . 1 . . . . 11 GLU CG . 18425 1 50 . 1 1 11 11 GLU N N 15 121.747 0.038 . 1 . . . . 11 GLU N . 18425 1 51 . 1 1 12 12 ARG H H 1 8.724 0.003 . 1 . . . . 12 ARG H . 18425 1 52 . 1 1 12 12 ARG HA H 1 3.961 0.02 . 1 . . . . 12 ARG HA . 18425 1 53 . 1 1 12 12 ARG HB2 H 1 1.867 0.02 . 2 . . . . 12 ARG HB2 . 18425 1 54 . 1 1 12 12 ARG HG2 H 1 1.673 0.02 . 2 . . . . 12 ARG HG2 . 18425 1 55 . 1 1 12 12 ARG HG3 H 1 1.523 0.02 . 2 . . . . 12 ARG HG3 . 18425 1 56 . 1 1 12 12 ARG HD2 H 1 3.108 0.02 . 2 . . . . 12 ARG HD2 . 18425 1 57 . 1 1 12 12 ARG C C 13 178.945 0.02 . 1 . . . . 12 ARG C . 18425 1 58 . 1 1 12 12 ARG CA C 13 59.33 0.008 . 1 . . . . 12 ARG CA . 18425 1 59 . 1 1 12 12 ARG CB C 13 29.979 0.027 . 1 . . . . 12 ARG CB . 18425 1 60 . 1 1 12 12 ARG CG C 13 27.833 0.02 . 1 . . . . 12 ARG CG . 18425 1 61 . 1 1 12 12 ARG CD C 13 43.5 0.02 . 1 . . . . 12 ARG CD . 18425 1 62 . 1 1 12 12 ARG N N 15 119.087 0.045 . 1 . . . . 12 ARG N . 18425 1 63 . 1 1 13 13 CYS H H 1 8.103 0.002 . 1 . . . . 13 CYS H . 18425 1 64 . 1 1 13 13 CYS HA H 1 4.157 0.02 . 1 . . . . 13 CYS HA . 18425 1 65 . 1 1 13 13 CYS HB2 H 1 3.256 0.02 . 2 . . . . 13 CYS HB2 . 18425 1 66 . 1 1 13 13 CYS HB3 H 1 2.832 0.02 . 2 . . . . 13 CYS HB3 . 18425 1 67 . 1 1 13 13 CYS C C 13 176.311 0.02 . 1 . . . . 13 CYS C . 18425 1 68 . 1 1 13 13 CYS CA C 13 63.617 0.015 . 1 . . . . 13 CYS CA . 18425 1 69 . 1 1 13 13 CYS CB C 13 26.506 0.095 . 1 . . . . 13 CYS CB . 18425 1 70 . 1 1 13 13 CYS N N 15 120.007 0.061 . 1 . . . . 13 CYS N . 18425 1 71 . 1 1 14 14 ILE H H 1 7.807 0.006 . 1 . . . . 14 ILE H . 18425 1 72 . 1 1 14 14 ILE HA H 1 3.388 0.02 . 1 . . . . 14 ILE HA . 18425 1 73 . 1 1 14 14 ILE HB H 1 1.871 0.02 . 1 . . . . 14 ILE HB . 18425 1 74 . 1 1 14 14 ILE HG12 H 1 1.716 0.02 . 2 . . . . 14 ILE HG12 . 18425 1 75 . 1 1 14 14 ILE HG21 H 1 0.741 0.02 . 1 . . . . 14 ILE HG21 . 18425 1 76 . 1 1 14 14 ILE HG22 H 1 0.741 0.02 . 1 . . . . 14 ILE HG22 . 18425 1 77 . 1 1 14 14 ILE HG23 H 1 0.741 0.02 . 1 . . . . 14 ILE HG23 . 18425 1 78 . 1 1 14 14 ILE HD11 H 1 0.666 0.008 . 1 . . . . 14 ILE HD11 . 18425 1 79 . 1 1 14 14 ILE HD12 H 1 0.666 0.008 . 1 . . . . 14 ILE HD12 . 18425 1 80 . 1 1 14 14 ILE HD13 H 1 0.666 0.008 . 1 . . . . 14 ILE HD13 . 18425 1 81 . 1 1 14 14 ILE C C 13 176.801 0.02 . 1 . . . . 14 ILE C . 18425 1 82 . 1 1 14 14 ILE CA C 13 66.492 0.048 . 1 . . . . 14 ILE CA . 18425 1 83 . 1 1 14 14 ILE CB C 13 37.865 0.035 . 1 . . . . 14 ILE CB . 18425 1 84 . 1 1 14 14 ILE CG1 C 13 29.767 0.02 . 1 . . . . 14 ILE CG1 . 18425 1 85 . 1 1 14 14 ILE CG2 C 13 16.994 0.02 . 1 . . . . 14 ILE CG2 . 18425 1 86 . 1 1 14 14 ILE CD1 C 13 13.937 0.02 . 1 . . . . 14 ILE CD1 . 18425 1 87 . 1 1 14 14 ILE N N 15 118.833 0.057 . 1 . . . . 14 ILE N . 18425 1 88 . 1 1 15 15 GLU H H 1 7.917 0.006 . 1 . . . . 15 GLU H . 18425 1 89 . 1 1 15 15 GLU HA H 1 3.81 0.02 . 1 . . . . 15 GLU HA . 18425 1 90 . 1 1 15 15 GLU HB2 H 1 2.021 0.007 . 2 . . . . 15 GLU HB2 . 18425 1 91 . 1 1 15 15 GLU HG2 H 1 2.341 0.02 . 2 . . . . 15 GLU HG2 . 18425 1 92 . 1 1 15 15 GLU HG3 H 1 2.108 0.02 . 2 . . . . 15 GLU HG3 . 18425 1 93 . 1 1 15 15 GLU C C 13 179.64 0.02 . 1 . . . . 15 GLU C . 18425 1 94 . 1 1 15 15 GLU CA C 13 59.839 0.006 . 1 . . . . 15 GLU CA . 18425 1 95 . 1 1 15 15 GLU CB C 13 29.563 0.018 . 1 . . . . 15 GLU CB . 18425 1 96 . 1 1 15 15 GLU CG C 13 36.54 0.02 . 1 . . . . 15 GLU CG . 18425 1 97 . 1 1 15 15 GLU N N 15 117.006 0.037 . 1 . . . . 15 GLU N . 18425 1 98 . 1 1 16 16 SER H H 1 8.465 0.037 . 1 . . . . 16 SER H . 18425 1 99 . 1 1 16 16 SER HA H 1 4.21 0.02 . 1 . . . . 16 SER HA . 18425 1 100 . 1 1 16 16 SER HB2 H 1 4.096 0.02 . 2 . . . . 16 SER HB2 . 18425 1 101 . 1 1 16 16 SER HB3 H 1 3.854 0.02 . 2 . . . . 16 SER HB3 . 18425 1 102 . 1 1 16 16 SER C C 13 175.773 0.02 . 1 . . . . 16 SER C . 18425 1 103 . 1 1 16 16 SER CA C 13 62.298 0.03 . 1 . . . . 16 SER CA . 18425 1 104 . 1 1 16 16 SER CB C 13 63.537 0.028 . 1 . . . . 16 SER CB . 18425 1 105 . 1 1 16 16 SER N N 15 116.363 0.053 . 1 . . . . 16 SER N . 18425 1 106 . 1 1 17 17 LEU H H 1 8.191 0.002 . 1 . . . . 17 LEU H . 18425 1 107 . 1 1 17 17 LEU HA H 1 4.179 0.001 . 1 . . . . 17 LEU HA . 18425 1 108 . 1 1 17 17 LEU HB2 H 1 2.217 0.002 . 2 . . . . 17 LEU HB2 . 18425 1 109 . 1 1 17 17 LEU HB3 H 1 1.386 0.019 . 2 . . . . 17 LEU HB3 . 18425 1 110 . 1 1 17 17 LEU HG H 1 2.077 0.001 . 1 . . . . 17 LEU HG . 18425 1 111 . 1 1 17 17 LEU HD11 H 1 0.617 0.005 . 2 . . . . 17 LEU HD11 . 18425 1 112 . 1 1 17 17 LEU HD12 H 1 0.617 0.005 . 2 . . . . 17 LEU HD12 . 18425 1 113 . 1 1 17 17 LEU HD13 H 1 0.617 0.005 . 2 . . . . 17 LEU HD13 . 18425 1 114 . 1 1 17 17 LEU HD21 H 1 0.814 0.014 . 2 . . . . 17 LEU HD21 . 18425 1 115 . 1 1 17 17 LEU HD22 H 1 0.814 0.014 . 2 . . . . 17 LEU HD22 . 18425 1 116 . 1 1 17 17 LEU HD23 H 1 0.814 0.014 . 2 . . . . 17 LEU HD23 . 18425 1 117 . 1 1 17 17 LEU C C 13 178.486 0.02 . 1 . . . . 17 LEU C . 18425 1 118 . 1 1 17 17 LEU CA C 13 58.5 0.007 . 1 . . . . 17 LEU CA . 18425 1 119 . 1 1 17 17 LEU CB C 13 42.631 0.018 . 1 . . . . 17 LEU CB . 18425 1 120 . 1 1 17 17 LEU CG C 13 26.41 0.02 . 1 . . . . 17 LEU CG . 18425 1 121 . 1 1 17 17 LEU CD1 C 13 24.73 0.02 . 2 . . . . 17 LEU CD1 . 18425 1 122 . 1 1 17 17 LEU CD2 C 13 23.43 0.02 . 2 . . . . 17 LEU CD2 . 18425 1 123 . 1 1 17 17 LEU N N 15 122.217 0.04 . 1 . . . . 17 LEU N . 18425 1 124 . 1 1 18 18 ILE H H 1 7.49 0.008 . 1 . . . . 18 ILE H . 18425 1 125 . 1 1 18 18 ILE HA H 1 3.376 0.02 . 1 . . . . 18 ILE HA . 18425 1 126 . 1 1 18 18 ILE HB H 1 1.656 0.02 . 1 . . . . 18 ILE HB . 18425 1 127 . 1 1 18 18 ILE HG21 H 1 0.391 0.012 . 1 . . . . 18 ILE HG21 . 18425 1 128 . 1 1 18 18 ILE HG22 H 1 0.391 0.012 . 1 . . . . 18 ILE HG22 . 18425 1 129 . 1 1 18 18 ILE HG23 H 1 0.391 0.012 . 1 . . . . 18 ILE HG23 . 18425 1 130 . 1 1 18 18 ILE C C 13 177.052 0.02 . 1 . . . . 18 ILE C . 18425 1 131 . 1 1 18 18 ILE CA C 13 65.435 0.01 . 1 . . . . 18 ILE CA . 18425 1 132 . 1 1 18 18 ILE CB C 13 38.409 0.013 . 1 . . . . 18 ILE CB . 18425 1 133 . 1 1 18 18 ILE CG2 C 13 17.12 0.02 . 1 . . . . 18 ILE CG2 . 18425 1 134 . 1 1 18 18 ILE N N 15 117.179 0.047 . 1 . . . . 18 ILE N . 18425 1 135 . 1 1 19 19 ALA H H 1 8.118 0.004 . 1 . . . . 19 ALA H . 18425 1 136 . 1 1 19 19 ALA HA H 1 3.861 0.02 . 1 . . . . 19 ALA HA . 18425 1 137 . 1 1 19 19 ALA HB1 H 1 1.44 0.02 . 1 . . . . 19 ALA HB1 . 18425 1 138 . 1 1 19 19 ALA HB2 H 1 1.44 0.02 . 1 . . . . 19 ALA HB2 . 18425 1 139 . 1 1 19 19 ALA HB3 H 1 1.44 0.02 . 1 . . . . 19 ALA HB3 . 18425 1 140 . 1 1 19 19 ALA C C 13 181.572 0.02 . 1 . . . . 19 ALA C . 18425 1 141 . 1 1 19 19 ALA CA C 13 55.297 0.032 . 1 . . . . 19 ALA CA . 18425 1 142 . 1 1 19 19 ALA CB C 13 18.522 0.007 . 1 . . . . 19 ALA CB . 18425 1 143 . 1 1 19 19 ALA N N 15 121.168 0.058 . 1 . . . . 19 ALA N . 18425 1 144 . 1 1 20 20 VAL H H 1 8.818 0.007 . 1 . . . . 20 VAL H . 18425 1 145 . 1 1 20 20 VAL HA H 1 3.827 0.02 . 1 . . . . 20 VAL HA . 18425 1 146 . 1 1 20 20 VAL HB H 1 2.282 0.004 . 1 . . . . 20 VAL HB . 18425 1 147 . 1 1 20 20 VAL HG11 H 1 1.239 0.02 . 2 . . . . 20 VAL HG11 . 18425 1 148 . 1 1 20 20 VAL HG12 H 1 1.239 0.02 . 2 . . . . 20 VAL HG12 . 18425 1 149 . 1 1 20 20 VAL HG13 H 1 1.239 0.02 . 2 . . . . 20 VAL HG13 . 18425 1 150 . 1 1 20 20 VAL HG21 H 1 1.327 0.02 . 2 . . . . 20 VAL HG21 . 18425 1 151 . 1 1 20 20 VAL HG22 H 1 1.327 0.02 . 2 . . . . 20 VAL HG22 . 18425 1 152 . 1 1 20 20 VAL HG23 H 1 1.327 0.02 . 2 . . . . 20 VAL HG23 . 18425 1 153 . 1 1 20 20 VAL C C 13 176.906 0.02 . 1 . . . . 20 VAL C . 18425 1 154 . 1 1 20 20 VAL CA C 13 66.516 0.048 . 1 . . . . 20 VAL CA . 18425 1 155 . 1 1 20 20 VAL CB C 13 31.909 0.038 . 1 . . . . 20 VAL CB . 18425 1 156 . 1 1 20 20 VAL CG1 C 13 22.862 0.02 . 2 . . . . 20 VAL CG1 . 18425 1 157 . 1 1 20 20 VAL CG2 C 13 21.573 0.02 . 2 . . . . 20 VAL CG2 . 18425 1 158 . 1 1 20 20 VAL N N 15 119.334 0.046 . 1 . . . . 20 VAL N . 18425 1 159 . 1 1 21 21 PHE H H 1 7.618 0.003 . 1 . . . . 21 PHE H . 18425 1 160 . 1 1 21 21 PHE HA H 1 3.274 0.02 . 1 . . . . 21 PHE HA . 18425 1 161 . 1 1 21 21 PHE HB2 H 1 2.753 0.02 . 2 . . . . 21 PHE HB2 . 18425 1 162 . 1 1 21 21 PHE HB3 H 1 2.355 0.02 . 2 . . . . 21 PHE HB3 . 18425 1 163 . 1 1 21 21 PHE C C 13 176.907 0.02 . 1 . . . . 21 PHE C . 18425 1 164 . 1 1 21 21 PHE CA C 13 62.473 0.013 . 1 . . . . 21 PHE CA . 18425 1 165 . 1 1 21 21 PHE CB C 13 39.292 0.043 . 1 . . . . 21 PHE CB . 18425 1 166 . 1 1 21 21 PHE N N 15 120.184 0.045 . 1 . . . . 21 PHE N . 18425 1 167 . 1 1 22 22 GLN H H 1 8.505 0.005 . 1 . . . . 22 GLN H . 18425 1 168 . 1 1 22 22 GLN HA H 1 3.548 0.02 . 1 . . . . 22 GLN HA . 18425 1 169 . 1 1 22 22 GLN HB2 H 1 1.911 0.02 . 2 . . . . 22 GLN HB2 . 18425 1 170 . 1 1 22 22 GLN HG2 H 1 2.261 0.02 . 2 . . . . 22 GLN HG2 . 18425 1 171 . 1 1 22 22 GLN C C 13 178.58 0.02 . 1 . . . . 22 GLN C . 18425 1 172 . 1 1 22 22 GLN CA C 13 58.737 0.015 . 1 . . . . 22 GLN CA . 18425 1 173 . 1 1 22 22 GLN CB C 13 28.314 0.017 . 1 . . . . 22 GLN CB . 18425 1 174 . 1 1 22 22 GLN CG C 13 34.589 0.02 . 1 . . . . 22 GLN CG . 18425 1 175 . 1 1 22 22 GLN N N 15 115.3 0.054 . 1 . . . . 22 GLN N . 18425 1 176 . 1 1 23 23 LYS H H 1 7.943 0.002 . 1 . . . . 23 LYS H . 18425 1 177 . 1 1 23 23 LYS HA H 1 3.691 0.02 . 1 . . . . 23 LYS HA . 18425 1 178 . 1 1 23 23 LYS HB2 H 1 1.832 0.02 . 2 . . . . 23 LYS HB2 . 18425 1 179 . 1 1 23 23 LYS HB3 H 1 1.782 0.02 . 2 . . . . 23 LYS HB3 . 18425 1 180 . 1 1 23 23 LYS HG2 H 1 1.045 0.003 . 2 . . . . 23 LYS HG2 . 18425 1 181 . 1 1 23 23 LYS HG3 H 1 0.512 0.02 . 2 . . . . 23 LYS HG3 . 18425 1 182 . 1 1 23 23 LYS HD2 H 1 1.481 0.001 . 2 . . . . 23 LYS HD2 . 18425 1 183 . 1 1 23 23 LYS HE2 H 1 2.679 0.001 . 2 . . . . 23 LYS HE2 . 18425 1 184 . 1 1 23 23 LYS C C 13 177.914 0.02 . 1 . . . . 23 LYS C . 18425 1 185 . 1 1 23 23 LYS CA C 13 59.15 0.005 . 1 . . . . 23 LYS CA . 18425 1 186 . 1 1 23 23 LYS CB C 13 32.075 0.053 . 1 . . . . 23 LYS CB . 18425 1 187 . 1 1 23 23 LYS CG C 13 24.17 0.001 . 1 . . . . 23 LYS CG . 18425 1 188 . 1 1 23 23 LYS CD C 13 29.72 0.02 . 1 . . . . 23 LYS CD . 18425 1 189 . 1 1 23 23 LYS CE C 13 41.91 0.02 . 1 . . . . 23 LYS CE . 18425 1 190 . 1 1 23 23 LYS N N 15 120.331 0.055 . 1 . . . . 23 LYS N . 18425 1 191 . 1 1 24 24 TYR H H 1 7.149 0.005 . 1 . . . . 24 TYR H . 18425 1 192 . 1 1 24 24 TYR HA H 1 3.933 0.02 . 1 . . . . 24 TYR HA . 18425 1 193 . 1 1 24 24 TYR HB2 H 1 2.714 0.02 . 2 . . . . 24 TYR HB2 . 18425 1 194 . 1 1 24 24 TYR HB3 H 1 2.389 0.02 . 2 . . . . 24 TYR HB3 . 18425 1 195 . 1 1 24 24 TYR C C 13 176.326 0.02 . 1 . . . . 24 TYR C . 18425 1 196 . 1 1 24 24 TYR CA C 13 61.417 0.026 . 1 . . . . 24 TYR CA . 18425 1 197 . 1 1 24 24 TYR CB C 13 39.34 0.08 . 1 . . . . 24 TYR CB . 18425 1 198 . 1 1 24 24 TYR N N 15 114.923 0.053 . 1 . . . . 24 TYR N . 18425 1 199 . 1 1 25 25 ALA H H 1 8.771 0.008 . 1 . . . . 25 ALA H . 18425 1 200 . 1 1 25 25 ALA HA H 1 3.847 0.02 . 1 . . . . 25 ALA HA . 18425 1 201 . 1 1 25 25 ALA HB1 H 1 0.195 0.02 . 1 . . . . 25 ALA HB1 . 18425 1 202 . 1 1 25 25 ALA HB2 H 1 0.195 0.02 . 1 . . . . 25 ALA HB2 . 18425 1 203 . 1 1 25 25 ALA HB3 H 1 0.195 0.02 . 1 . . . . 25 ALA HB3 . 18425 1 204 . 1 1 25 25 ALA C C 13 180.066 0.02 . 1 . . . . 25 ALA C . 18425 1 205 . 1 1 25 25 ALA CA C 13 53.655 0.045 . 1 . . . . 25 ALA CA . 18425 1 206 . 1 1 25 25 ALA CB C 13 18.185 0.053 . 1 . . . . 25 ALA CB . 18425 1 207 . 1 1 25 25 ALA N N 15 119.12 0.067 . 1 . . . . 25 ALA N . 18425 1 208 . 1 1 26 26 GLY H H 1 7.619 0.008 . 1 . . . . 26 GLY H . 18425 1 209 . 1 1 26 26 GLY HA2 H 1 3.888 0.02 . 2 . . . . 26 GLY HA2 . 18425 1 210 . 1 1 26 26 GLY HA3 H 1 3.651 0.02 . 2 . . . . 26 GLY HA3 . 18425 1 211 . 1 1 26 26 GLY C C 13 175.402 0.02 . 1 . . . . 26 GLY C . 18425 1 212 . 1 1 26 26 GLY CA C 13 45.198 0.059 . 1 . . . . 26 GLY CA . 18425 1 213 . 1 1 26 26 GLY N N 15 102.492 0.024 . 1 . . . . 26 GLY N . 18425 1 214 . 1 1 27 27 LYS H H 1 6.987 0.002 . 1 . . . . 27 LYS H . 18425 1 215 . 1 1 27 27 LYS HA H 1 3.874 0.02 . 1 . . . . 27 LYS HA . 18425 1 216 . 1 1 27 27 LYS HB2 H 1 2.017 0.02 . 2 . . . . 27 LYS HB2 . 18425 1 217 . 1 1 27 27 LYS HB3 H 1 1.849 0.02 . 2 . . . . 27 LYS HB3 . 18425 1 218 . 1 1 27 27 LYS HD2 H 1 1.601 0.02 . 2 . . . . 27 LYS HD2 . 18425 1 219 . 1 1 27 27 LYS HE2 H 1 2.738 0.02 . 2 . . . . 27 LYS HE2 . 18425 1 220 . 1 1 27 27 LYS C C 13 177.795 0.02 . 1 . . . . 27 LYS C . 18425 1 221 . 1 1 27 27 LYS CA C 13 59.373 0.013 . 1 . . . . 27 LYS CA . 18425 1 222 . 1 1 27 27 LYS CB C 13 32.027 0.051 . 1 . . . . 27 LYS CB . 18425 1 223 . 1 1 27 27 LYS CG C 13 25.012 0.02 . 1 . . . . 27 LYS CG . 18425 1 224 . 1 1 27 27 LYS CD C 13 28.87 0.02 . 1 . . . . 27 LYS CD . 18425 1 225 . 1 1 27 27 LYS N N 15 122.354 0.05 . 1 . . . . 27 LYS N . 18425 1 226 . 1 1 28 28 ASP H H 1 8.495 0.003 . 1 . . . . 28 ASP H . 18425 1 227 . 1 1 28 28 ASP HA H 1 4.504 0.02 . 1 . . . . 28 ASP HA . 18425 1 228 . 1 1 28 28 ASP HB2 H 1 3.053 0.02 . 2 . . . . 28 ASP HB2 . 18425 1 229 . 1 1 28 28 ASP HB3 H 1 2.525 0.02 . 2 . . . . 28 ASP HB3 . 18425 1 230 . 1 1 28 28 ASP C C 13 177.091 0.02 . 1 . . . . 28 ASP C . 18425 1 231 . 1 1 28 28 ASP CA C 13 52.543 0.044 . 1 . . . . 28 ASP CA . 18425 1 232 . 1 1 28 28 ASP CB C 13 40.26 0.018 . 1 . . . . 28 ASP CB . 18425 1 233 . 1 1 28 28 ASP N N 15 116.336 0.039 . 1 . . . . 28 ASP N . 18425 1 234 . 1 1 29 29 GLY H H 1 7.721 0.003 . 1 . . . . 29 GLY H . 18425 1 235 . 1 1 29 29 GLY HA2 H 1 4.003 0.02 . 2 . . . . 29 GLY HA2 . 18425 1 236 . 1 1 29 29 GLY HA3 H 1 3.656 0.02 . 2 . . . . 29 GLY HA3 . 18425 1 237 . 1 1 29 29 GLY CA C 13 45.794 0.064 . 1 . . . . 29 GLY CA . 18425 1 238 . 1 1 29 29 GLY N N 15 107.385 0.039 . 1 . . . . 29 GLY N . 18425 1 239 . 1 1 33 33 THR HA H 1 5.204 0.02 . 1 . . . . 33 THR HA . 18425 1 240 . 1 1 33 33 THR HB H 1 3.867 0.02 . 1 . . . . 33 THR HB . 18425 1 241 . 1 1 33 33 THR HG21 H 1 1.054 0.02 . 1 . . . . 33 THR HG21 . 18425 1 242 . 1 1 33 33 THR HG22 H 1 1.054 0.02 . 1 . . . . 33 THR HG22 . 18425 1 243 . 1 1 33 33 THR HG23 H 1 1.054 0.02 . 1 . . . . 33 THR HG23 . 18425 1 244 . 1 1 33 33 THR C C 13 174.013 0.02 . 1 . . . . 33 THR C . 18425 1 245 . 1 1 33 33 THR CA C 13 58.304 0.009 . 1 . . . . 33 THR CA . 18425 1 246 . 1 1 33 33 THR CB C 13 74.031 0.008 . 1 . . . . 33 THR CB . 18425 1 247 . 1 1 33 33 THR CG2 C 13 22.273 0.02 . 1 . . . . 33 THR CG2 . 18425 1 248 . 1 1 34 34 LEU H H 1 9.584 0.005 . 1 . . . . 34 LEU H . 18425 1 249 . 1 1 34 34 LEU HA H 1 5.158 0.009 . 1 . . . . 34 LEU HA . 18425 1 250 . 1 1 34 34 LEU HB2 H 1 1.888 0.002 . 2 . . . . 34 LEU HB2 . 18425 1 251 . 1 1 34 34 LEU HB3 H 1 1.445 0.012 . 2 . . . . 34 LEU HB3 . 18425 1 252 . 1 1 34 34 LEU HG H 1 1.322 0.001 . 1 . . . . 34 LEU HG . 18425 1 253 . 1 1 34 34 LEU HD11 H 1 0.442 0.02 . 2 . . . . 34 LEU HD11 . 18425 1 254 . 1 1 34 34 LEU HD12 H 1 0.442 0.02 . 2 . . . . 34 LEU HD12 . 18425 1 255 . 1 1 34 34 LEU HD13 H 1 0.442 0.02 . 2 . . . . 34 LEU HD13 . 18425 1 256 . 1 1 34 34 LEU HD21 H 1 0.359 0.02 . 2 . . . . 34 LEU HD21 . 18425 1 257 . 1 1 34 34 LEU HD22 H 1 0.359 0.02 . 2 . . . . 34 LEU HD22 . 18425 1 258 . 1 1 34 34 LEU HD23 H 1 0.359 0.02 . 2 . . . . 34 LEU HD23 . 18425 1 259 . 1 1 34 34 LEU C C 13 176.439 0.02 . 1 . . . . 34 LEU C . 18425 1 260 . 1 1 34 34 LEU CA C 13 53.138 0.006 . 1 . . . . 34 LEU CA . 18425 1 261 . 1 1 34 34 LEU CB C 13 43.389 0.05 . 1 . . . . 34 LEU CB . 18425 1 262 . 1 1 34 34 LEU CD1 C 13 26.9 0.02 . 2 . . . . 34 LEU CD1 . 18425 1 263 . 1 1 34 34 LEU CD2 C 13 25.06 0.02 . 2 . . . . 34 LEU CD2 . 18425 1 264 . 1 1 34 34 LEU N N 15 124.457 0.04 . 1 . . . . 34 LEU N . 18425 1 265 . 1 1 35 35 SER H H 1 9.782 0.006 . 1 . . . . 35 SER H . 18425 1 266 . 1 1 35 35 SER HA H 1 4.464 0.02 . 1 . . . . 35 SER HA . 18425 1 267 . 1 1 35 35 SER HB2 H 1 4.325 0.02 . 2 . . . . 35 SER HB2 . 18425 1 268 . 1 1 35 35 SER HB3 H 1 3.985 0.02 . 2 . . . . 35 SER HB3 . 18425 1 269 . 1 1 35 35 SER C C 13 174.384 0.02 . 1 . . . . 35 SER C . 18425 1 270 . 1 1 35 35 SER CA C 13 56.622 0.012 . 1 . . . . 35 SER CA . 18425 1 271 . 1 1 35 35 SER CB C 13 64.998 0.042 . 1 . . . . 35 SER CB . 18425 1 272 . 1 1 35 35 SER N N 15 121.752 0.042 . 1 . . . . 35 SER N . 18425 1 273 . 1 1 36 36 LYS H H 1 9.08 0.004 . 1 . . . . 36 LYS H . 18425 1 274 . 1 1 36 36 LYS HA H 1 4.162 0.004 . 1 . . . . 36 LYS HA . 18425 1 275 . 1 1 36 36 LYS HB2 H 1 1.891 0.004 . 2 . . . . 36 LYS HB2 . 18425 1 276 . 1 1 36 36 LYS HG2 H 1 1.438 0.004 . 2 . . . . 36 LYS HG2 . 18425 1 277 . 1 1 36 36 LYS HD2 H 1 1.539 0.005 . 2 . . . . 36 LYS HD2 . 18425 1 278 . 1 1 36 36 LYS HE2 H 1 2.843 0.002 . 2 . . . . 36 LYS HE2 . 18425 1 279 . 1 1 36 36 LYS C C 13 178.324 0.02 . 1 . . . . 36 LYS C . 18425 1 280 . 1 1 36 36 LYS CA C 13 60.961 0.011 . 1 . . . . 36 LYS CA . 18425 1 281 . 1 1 36 36 LYS CB C 13 31.838 0.034 . 1 . . . . 36 LYS CB . 18425 1 282 . 1 1 36 36 LYS CG C 13 25.22 0.001 . 1 . . . . 36 LYS CG . 18425 1 283 . 1 1 36 36 LYS CD C 13 29.309 0.002 . 1 . . . . 36 LYS CD . 18425 1 284 . 1 1 36 36 LYS CE C 13 42.173 0.149 . 1 . . . . 36 LYS CE . 18425 1 285 . 1 1 36 36 LYS N N 15 120.965 0.058 . 1 . . . . 36 LYS N . 18425 1 286 . 1 1 37 37 THR H H 1 8.072 0.002 . 1 . . . . 37 THR H . 18425 1 287 . 1 1 37 37 THR HA H 1 3.884 0.02 . 1 . . . . 37 THR HA . 18425 1 288 . 1 1 37 37 THR HB H 1 4.056 0.02 . 1 . . . . 37 THR HB . 18425 1 289 . 1 1 37 37 THR HG21 H 1 1.188 0.02 . 1 . . . . 37 THR HG21 . 18425 1 290 . 1 1 37 37 THR HG22 H 1 1.188 0.02 . 1 . . . . 37 THR HG22 . 18425 1 291 . 1 1 37 37 THR HG23 H 1 1.188 0.02 . 1 . . . . 37 THR HG23 . 18425 1 292 . 1 1 37 37 THR C C 13 177.652 0.02 . 1 . . . . 37 THR C . 18425 1 293 . 1 1 37 37 THR CA C 13 66.243 0.037 . 1 . . . . 37 THR CA . 18425 1 294 . 1 1 37 37 THR CB C 13 68.484 0.032 . 1 . . . . 37 THR CB . 18425 1 295 . 1 1 37 37 THR CG2 C 13 22.182 0.02 . 1 . . . . 37 THR CG2 . 18425 1 296 . 1 1 37 37 THR N N 15 111.183 0.038 . 1 . . . . 37 THR N . 18425 1 297 . 1 1 38 38 GLU H H 1 7.629 0.002 . 1 . . . . 38 GLU H . 18425 1 298 . 1 1 38 38 GLU HA H 1 4.067 0.02 . 1 . . . . 38 GLU HA . 18425 1 299 . 1 1 38 38 GLU HB2 H 1 2.202 0.02 . 2 . . . . 38 GLU HB2 . 18425 1 300 . 1 1 38 38 GLU HB3 H 1 1.879 0.02 . 2 . . . . 38 GLU HB3 . 18425 1 301 . 1 1 38 38 GLU C C 13 178.801 0.02 . 1 . . . . 38 GLU C . 18425 1 302 . 1 1 38 38 GLU CA C 13 59.283 0.005 . 1 . . . . 38 GLU CA . 18425 1 303 . 1 1 38 38 GLU CB C 13 30.176 0.034 . 1 . . . . 38 GLU CB . 18425 1 304 . 1 1 38 38 GLU CG C 13 37.453 0.02 . 1 . . . . 38 GLU CG . 18425 1 305 . 1 1 38 38 GLU N N 15 124.33 0.055 . 1 . . . . 38 GLU N . 18425 1 306 . 1 1 39 39 PHE H H 1 9.094 0.005 . 1 . . . . 39 PHE H . 18425 1 307 . 1 1 39 39 PHE HA H 1 4.181 0.02 . 1 . . . . 39 PHE HA . 18425 1 308 . 1 1 39 39 PHE HB2 H 1 3.353 0.02 . 2 . . . . 39 PHE HB2 . 18425 1 309 . 1 1 39 39 PHE HB3 H 1 2.967 0.02 . 2 . . . . 39 PHE HB3 . 18425 1 310 . 1 1 39 39 PHE C C 13 176.578 0.02 . 1 . . . . 39 PHE C . 18425 1 311 . 1 1 39 39 PHE CA C 13 61.079 0.014 . 1 . . . . 39 PHE CA . 18425 1 312 . 1 1 39 39 PHE CB C 13 38.93 0.023 . 1 . . . . 39 PHE CB . 18425 1 313 . 1 1 39 39 PHE N N 15 120.709 0.045 . 1 . . . . 39 PHE N . 18425 1 314 . 1 1 40 40 LEU H H 1 8.441 0.003 . 1 . . . . 40 LEU H . 18425 1 315 . 1 1 40 40 LEU HA H 1 3.5 0.02 . 1 . . . . 40 LEU HA . 18425 1 316 . 1 1 40 40 LEU HB2 H 1 1.832 0.02 . 2 . . . . 40 LEU HB2 . 18425 1 317 . 1 1 40 40 LEU HB3 H 1 1.365 0.02 . 2 . . . . 40 LEU HB3 . 18425 1 318 . 1 1 40 40 LEU HG H 1 1.946 0.001 . 1 . . . . 40 LEU HG . 18425 1 319 . 1 1 40 40 LEU HD11 H 1 0.848 0.02 . 2 . . . . 40 LEU HD11 . 18425 1 320 . 1 1 40 40 LEU HD12 H 1 0.848 0.02 . 2 . . . . 40 LEU HD12 . 18425 1 321 . 1 1 40 40 LEU HD13 H 1 0.848 0.02 . 2 . . . . 40 LEU HD13 . 18425 1 322 . 1 1 40 40 LEU HD21 H 1 0.786 0.02 . 2 . . . . 40 LEU HD21 . 18425 1 323 . 1 1 40 40 LEU HD22 H 1 0.786 0.02 . 2 . . . . 40 LEU HD22 . 18425 1 324 . 1 1 40 40 LEU HD23 H 1 0.786 0.02 . 2 . . . . 40 LEU HD23 . 18425 1 325 . 1 1 40 40 LEU C C 13 179.004 0.02 . 1 . . . . 40 LEU C . 18425 1 326 . 1 1 40 40 LEU CA C 13 58.474 0.006 . 1 . . . . 40 LEU CA . 18425 1 327 . 1 1 40 40 LEU CB C 13 40.99 0.031 . 1 . . . . 40 LEU CB . 18425 1 328 . 1 1 40 40 LEU CG C 13 26.882 0.02 . 1 . . . . 40 LEU CG . 18425 1 329 . 1 1 40 40 LEU CD1 C 13 25.32 0.02 . 2 . . . . 40 LEU CD1 . 18425 1 330 . 1 1 40 40 LEU CD2 C 13 23.729 0.001 . 2 . . . . 40 LEU CD2 . 18425 1 331 . 1 1 40 40 LEU N N 15 120.026 0.051 . 1 . . . . 40 LEU N . 18425 1 332 . 1 1 41 41 SER H H 1 7.742 0.002 . 1 . . . . 41 SER H . 18425 1 333 . 1 1 41 41 SER C C 13 176.733 0.02 . 1 . . . . 41 SER C . 18425 1 334 . 1 1 41 41 SER CA C 13 61.882 0.025 . 1 . . . . 41 SER CA . 18425 1 335 . 1 1 41 41 SER CB C 13 62.96 0.016 . 1 . . . . 41 SER CB . 18425 1 336 . 1 1 41 41 SER N N 15 114.488 0.048 . 1 . . . . 41 SER N . 18425 1 337 . 1 1 42 42 PHE H H 1 8.288 0.002 . 1 . . . . 42 PHE H . 18425 1 338 . 1 1 42 42 PHE HA H 1 2.784 0.02 . 1 . . . . 42 PHE HA . 18425 1 339 . 1 1 42 42 PHE HB2 H 1 2.967 0.02 . 2 . . . . 42 PHE HB2 . 18425 1 340 . 1 1 42 42 PHE HB3 H 1 2.437 0.02 . 2 . . . . 42 PHE HB3 . 18425 1 341 . 1 1 42 42 PHE C C 13 176.798 0.02 . 1 . . . . 42 PHE C . 18425 1 342 . 1 1 42 42 PHE CA C 13 61.259 0.008 . 1 . . . . 42 PHE CA . 18425 1 343 . 1 1 42 42 PHE CB C 13 38.025 0.015 . 1 . . . . 42 PHE CB . 18425 1 344 . 1 1 42 42 PHE N N 15 123.446 0.036 . 1 . . . . 42 PHE N . 18425 1 345 . 1 1 43 43 MET H H 1 8.391 0.003 . 1 . . . . 43 MET H . 18425 1 346 . 1 1 43 43 MET HA H 1 3.593 0.02 . 1 . . . . 43 MET HA . 18425 1 347 . 1 1 43 43 MET HB2 H 1 1.557 0.02 . 2 . . . . 43 MET HB2 . 18425 1 348 . 1 1 43 43 MET C C 13 178.184 0.02 . 1 . . . . 43 MET C . 18425 1 349 . 1 1 43 43 MET CA C 13 56.305 0.006 . 1 . . . . 43 MET CA . 18425 1 350 . 1 1 43 43 MET CB C 13 29.493 0.021 . 1 . . . . 43 MET CB . 18425 1 351 . 1 1 43 43 MET N N 15 119.13 0.049 . 1 . . . . 43 MET N . 18425 1 352 . 1 1 44 44 ASN H H 1 7.833 0.003 . 1 . . . . 44 ASN H . 18425 1 353 . 1 1 44 44 ASN HA H 1 4.195 0.001 . 1 . . . . 44 ASN HA . 18425 1 354 . 1 1 44 44 ASN HB2 H 1 2.639 0.02 . 2 . . . . 44 ASN HB2 . 18425 1 355 . 1 1 44 44 ASN HB3 H 1 2.539 0.02 . 2 . . . . 44 ASN HB3 . 18425 1 356 . 1 1 44 44 ASN C C 13 175.647 0.02 . 1 . . . . 44 ASN C . 18425 1 357 . 1 1 44 44 ASN CA C 13 55.227 0.008 . 1 . . . . 44 ASN CA . 18425 1 358 . 1 1 44 44 ASN CB C 13 39.385 0.013 . 1 . . . . 44 ASN CB . 18425 1 359 . 1 1 44 44 ASN N N 15 112.719 0.049 . 1 . . . . 44 ASN N . 18425 1 360 . 1 1 45 45 THR H H 1 7.444 0.002 . 1 . . . . 45 THR H . 18425 1 361 . 1 1 45 45 THR HA H 1 4.141 0.02 . 1 . . . . 45 THR HA . 18425 1 362 . 1 1 45 45 THR HB H 1 4.125 0.02 . 1 . . . . 45 THR HB . 18425 1 363 . 1 1 45 45 THR HG21 H 1 1.2 0.02 . 1 . . . . 45 THR HG21 . 18425 1 364 . 1 1 45 45 THR HG22 H 1 1.2 0.02 . 1 . . . . 45 THR HG22 . 18425 1 365 . 1 1 45 45 THR HG23 H 1 1.2 0.02 . 1 . . . . 45 THR HG23 . 18425 1 366 . 1 1 45 45 THR C C 13 175.54 0.02 . 1 . . . . 45 THR C . 18425 1 367 . 1 1 45 45 THR CA C 13 64.594 0.02 . 1 . . . . 45 THR CA . 18425 1 368 . 1 1 45 45 THR CB C 13 69.728 0.034 . 1 . . . . 45 THR CB . 18425 1 369 . 1 1 45 45 THR CG2 C 13 22.335 0.02 . 1 . . . . 45 THR CG2 . 18425 1 370 . 1 1 45 45 THR N N 15 112.284 0.047 . 1 . . . . 45 THR N . 18425 1 371 . 1 1 46 46 GLU H H 1 8.268 0.004 . 1 . . . . 46 GLU H . 18425 1 372 . 1 1 46 46 GLU HA H 1 3.886 0.02 . 1 . . . . 46 GLU HA . 18425 1 373 . 1 1 46 46 GLU HB2 H 1 1.655 0.02 . 2 . . . . 46 GLU HB2 . 18425 1 374 . 1 1 46 46 GLU HB3 H 1 0.801 0.02 . 2 . . . . 46 GLU HB3 . 18425 1 375 . 1 1 46 46 GLU HG2 H 1 2.004 0.02 . 2 . . . . 46 GLU HG2 . 18425 1 376 . 1 1 46 46 GLU C C 13 177.412 0.02 . 1 . . . . 46 GLU C . 18425 1 377 . 1 1 46 46 GLU CA C 13 57.831 0.016 . 1 . . . . 46 GLU CA . 18425 1 378 . 1 1 46 46 GLU CB C 13 30.391 0.054 . 1 . . . . 46 GLU CB . 18425 1 379 . 1 1 46 46 GLU CG C 13 36.664 0.02 . 1 . . . . 46 GLU CG . 18425 1 380 . 1 1 46 46 GLU N N 15 119.477 0.054 . 1 . . . . 46 GLU N . 18425 1 381 . 1 1 47 47 LEU H H 1 6.533 0.004 . 1 . . . . 47 LEU H . 18425 1 382 . 1 1 47 47 LEU HA H 1 4.885 0.02 . 1 . . . . 47 LEU HA . 18425 1 383 . 1 1 47 47 LEU HB2 H 1 1.652 0.02 . 2 . . . . 47 LEU HB2 . 18425 1 384 . 1 1 47 47 LEU HB3 H 1 1.446 0.02 . 2 . . . . 47 LEU HB3 . 18425 1 385 . 1 1 47 47 LEU HG H 1 0.963 0.02 . 1 . . . . 47 LEU HG . 18425 1 386 . 1 1 47 47 LEU HD11 H 1 0.626 0.02 . 2 . . . . 47 LEU HD11 . 18425 1 387 . 1 1 47 47 LEU HD12 H 1 0.626 0.02 . 2 . . . . 47 LEU HD12 . 18425 1 388 . 1 1 47 47 LEU HD13 H 1 0.626 0.02 . 2 . . . . 47 LEU HD13 . 18425 1 389 . 1 1 47 47 LEU HD21 H 1 0.587 0.02 . 2 . . . . 47 LEU HD21 . 18425 1 390 . 1 1 47 47 LEU HD22 H 1 0.587 0.02 . 2 . . . . 47 LEU HD22 . 18425 1 391 . 1 1 47 47 LEU HD23 H 1 0.587 0.02 . 2 . . . . 47 LEU HD23 . 18425 1 392 . 1 1 47 47 LEU C C 13 176.676 0.02 . 1 . . . . 47 LEU C . 18425 1 393 . 1 1 47 47 LEU CA C 13 52.415 0.022 . 1 . . . . 47 LEU CA . 18425 1 394 . 1 1 47 47 LEU CB C 13 41.299 0.032 . 1 . . . . 47 LEU CB . 18425 1 395 . 1 1 47 47 LEU CD1 C 13 26.67 0.02 . 2 . . . . 47 LEU CD1 . 18425 1 396 . 1 1 47 47 LEU CD2 C 13 23.13 0.02 . 2 . . . . 47 LEU CD2 . 18425 1 397 . 1 1 47 47 LEU N N 15 118.99 0.033 . 1 . . . . 47 LEU N . 18425 1 398 . 1 1 48 48 ALA H H 1 6.775 0.002 . 1 . . . . 48 ALA H . 18425 1 399 . 1 1 48 48 ALA HA H 1 3.8 0.02 . 1 . . . . 48 ALA HA . 18425 1 400 . 1 1 48 48 ALA HB1 H 1 1.251 0.02 . 1 . . . . 48 ALA HB1 . 18425 1 401 . 1 1 48 48 ALA HB2 H 1 1.251 0.02 . 1 . . . . 48 ALA HB2 . 18425 1 402 . 1 1 48 48 ALA HB3 H 1 1.251 0.02 . 1 . . . . 48 ALA HB3 . 18425 1 403 . 1 1 48 48 ALA C C 13 179.558 0.02 . 1 . . . . 48 ALA C . 18425 1 404 . 1 1 48 48 ALA CA C 13 55.487 0.044 . 1 . . . . 48 ALA CA . 18425 1 405 . 1 1 48 48 ALA CB C 13 18.736 0.025 . 1 . . . . 48 ALA CB . 18425 1 406 . 1 1 48 48 ALA N N 15 123.043 0.047 . 1 . . . . 48 ALA N . 18425 1 407 . 1 1 49 49 ALA H H 1 8.834 0.003 . 1 . . . . 49 ALA H . 18425 1 408 . 1 1 49 49 ALA HA H 1 3.847 0.02 . 1 . . . . 49 ALA HA . 18425 1 409 . 1 1 49 49 ALA HB1 H 1 1.204 0.02 . 1 . . . . 49 ALA HB1 . 18425 1 410 . 1 1 49 49 ALA HB2 H 1 1.204 0.02 . 1 . . . . 49 ALA HB2 . 18425 1 411 . 1 1 49 49 ALA HB3 H 1 1.204 0.02 . 1 . . . . 49 ALA HB3 . 18425 1 412 . 1 1 49 49 ALA C C 13 179.711 0.02 . 1 . . . . 49 ALA C . 18425 1 413 . 1 1 49 49 ALA CA C 13 54.996 0.008 . 1 . . . . 49 ALA CA . 18425 1 414 . 1 1 49 49 ALA CB C 13 17.878 0.033 . 1 . . . . 49 ALA CB . 18425 1 415 . 1 1 49 49 ALA N N 15 119.473 0.069 . 1 . . . . 49 ALA N . 18425 1 416 . 1 1 50 50 PHE H H 1 8.02 0.003 . 1 . . . . 50 PHE H . 18425 1 417 . 1 1 50 50 PHE HA H 1 4.141 0.02 . 1 . . . . 50 PHE HA . 18425 1 418 . 1 1 50 50 PHE HB2 H 1 3.003 0.02 . 2 . . . . 50 PHE HB2 . 18425 1 419 . 1 1 50 50 PHE C C 13 177.842 0.02 . 1 . . . . 50 PHE C . 18425 1 420 . 1 1 50 50 PHE CA C 13 60.206 0.007 . 1 . . . . 50 PHE CA . 18425 1 421 . 1 1 50 50 PHE CB C 13 39.28 0.04 . 1 . . . . 50 PHE CB . 18425 1 422 . 1 1 50 50 PHE N N 15 118.016 0.052 . 1 . . . . 50 PHE N . 18425 1 423 . 1 1 51 51 THR H H 1 8.298 0.002 . 1 . . . . 51 THR H . 18425 1 424 . 1 1 51 51 THR HA H 1 3.584 0.02 . 1 . . . . 51 THR HA . 18425 1 425 . 1 1 51 51 THR HB H 1 4.029 0.02 . 1 . . . . 51 THR HB . 18425 1 426 . 1 1 51 51 THR HG21 H 1 0.932 0.02 . 1 . . . . 51 THR HG21 . 18425 1 427 . 1 1 51 51 THR HG22 H 1 0.932 0.02 . 1 . . . . 51 THR HG22 . 18425 1 428 . 1 1 51 51 THR HG23 H 1 0.932 0.02 . 1 . . . . 51 THR HG23 . 18425 1 429 . 1 1 51 51 THR C C 13 176.707 0.02 . 1 . . . . 51 THR C . 18425 1 430 . 1 1 51 51 THR CA C 13 65.408 0.088 . 1 . . . . 51 THR CA . 18425 1 431 . 1 1 51 51 THR CB C 13 68.603 0.078 . 1 . . . . 51 THR CB . 18425 1 432 . 1 1 51 51 THR CG2 C 13 22.631 0.02 . 1 . . . . 51 THR CG2 . 18425 1 433 . 1 1 51 51 THR N N 15 114.611 0.053 . 1 . . . . 51 THR N . 18425 1 434 . 1 1 52 52 LYS H H 1 8.131 0.004 . 1 . . . . 52 LYS H . 18425 1 435 . 1 1 52 52 LYS HA H 1 3.94 0.02 . 1 . . . . 52 LYS HA . 18425 1 436 . 1 1 52 52 LYS HB2 H 1 1.706 0.02 . 2 . . . . 52 LYS HB2 . 18425 1 437 . 1 1 52 52 LYS HG2 H 1 1.353 0.02 . 2 . . . . 52 LYS HG2 . 18425 1 438 . 1 1 52 52 LYS HD2 H 1 1.656 0.02 . 2 . . . . 52 LYS HD2 . 18425 1 439 . 1 1 52 52 LYS HE2 H 1 2.789 0.02 . 2 . . . . 52 LYS HE2 . 18425 1 440 . 1 1 52 52 LYS C C 13 176.934 0.02 . 1 . . . . 52 LYS C . 18425 1 441 . 1 1 52 52 LYS CA C 13 58.216 0.006 . 1 . . . . 52 LYS CA . 18425 1 442 . 1 1 52 52 LYS CB C 13 31.966 0.042 . 1 . . . . 52 LYS CB . 18425 1 443 . 1 1 52 52 LYS CG C 13 24.759 0.02 . 1 . . . . 52 LYS CG . 18425 1 444 . 1 1 52 52 LYS CD C 13 29.14 0.02 . 1 . . . . 52 LYS CD . 18425 1 445 . 1 1 52 52 LYS CE C 13 42.104 0.02 . 1 . . . . 52 LYS CE . 18425 1 446 . 1 1 52 52 LYS N N 15 121.093 0.05 . 1 . . . . 52 LYS N . 18425 1 447 . 1 1 53 53 ASN H H 1 7.517 0.004 . 1 . . . . 53 ASN H . 18425 1 448 . 1 1 53 53 ASN HA H 1 4.521 0.02 . 1 . . . . 53 ASN HA . 18425 1 449 . 1 1 53 53 ASN HB2 H 1 2.683 0.02 . 2 . . . . 53 ASN HB2 . 18425 1 450 . 1 1 53 53 ASN HB3 H 1 2.54 0.02 . 2 . . . . 53 ASN HB3 . 18425 1 451 . 1 1 53 53 ASN C C 13 175.042 0.02 . 1 . . . . 53 ASN C . 18425 1 452 . 1 1 53 53 ASN CA C 13 53.27 0.016 . 1 . . . . 53 ASN CA . 18425 1 453 . 1 1 53 53 ASN CB C 13 38.774 0.055 . 1 . . . . 53 ASN CB . 18425 1 454 . 1 1 53 53 ASN N N 15 115.328 0.043 . 1 . . . . 53 ASN N . 18425 1 455 . 1 1 54 54 GLN H H 1 7.349 0.003 . 1 . . . . 54 GLN H . 18425 1 456 . 1 1 54 54 GLN C C 13 175.874 0.02 . 1 . . . . 54 GLN C . 18425 1 457 . 1 1 54 54 GLN CA C 13 55.017 0.02 . 1 . . . . 54 GLN CA . 18425 1 458 . 1 1 54 54 GLN CB C 13 28.17 0.02 . 1 . . . . 54 GLN CB . 18425 1 459 . 1 1 54 54 GLN N N 15 118.16 0.059 . 1 . . . . 54 GLN N . 18425 1 460 . 1 1 57 57 PRO HA H 1 4.302 0.02 . 1 . . . . 57 PRO HA . 18425 1 461 . 1 1 57 57 PRO HB2 H 1 2.248 0.02 . 2 . . . . 57 PRO HB2 . 18425 1 462 . 1 1 57 57 PRO HB3 H 1 1.882 0.02 . 2 . . . . 57 PRO HB3 . 18425 1 463 . 1 1 57 57 PRO HG2 H 1 1.931 0.02 . 2 . . . . 57 PRO HG2 . 18425 1 464 . 1 1 57 57 PRO HD2 H 1 3.79 0.02 . 2 . . . . 57 PRO HD2 . 18425 1 465 . 1 1 57 57 PRO C C 13 178.216 0.02 . 1 . . . . 57 PRO C . 18425 1 466 . 1 1 57 57 PRO CA C 13 64.137 0.031 . 1 . . . . 57 PRO CA . 18425 1 467 . 1 1 57 57 PRO CB C 13 31.83 0.02 . 1 . . . . 57 PRO CB . 18425 1 468 . 1 1 57 57 PRO CG C 13 27.124 0.02 . 1 . . . . 57 PRO CG . 18425 1 469 . 1 1 57 57 PRO CD C 13 50.937 0.02 . 1 . . . . 57 PRO CD . 18425 1 470 . 1 1 58 58 GLY H H 1 8.619 0.004 . 1 . . . . 58 GLY H . 18425 1 471 . 1 1 58 58 GLY HA2 H 1 4.137 0.02 . 2 . . . . 58 GLY HA2 . 18425 1 472 . 1 1 58 58 GLY HA3 H 1 3.729 0.02 . 2 . . . . 58 GLY HA3 . 18425 1 473 . 1 1 58 58 GLY C C 13 175.715 0.02 . 1 . . . . 58 GLY C . 18425 1 474 . 1 1 58 58 GLY CA C 13 46.123 0.078 . 1 . . . . 58 GLY CA . 18425 1 475 . 1 1 58 58 GLY N N 15 108.234 0.048 . 1 . . . . 58 GLY N . 18425 1 476 . 1 1 59 59 VAL H H 1 7.457 0.001 . 1 . . . . 59 VAL H . 18425 1 477 . 1 1 59 59 VAL HA H 1 3.576 0.02 . 1 . . . . 59 VAL HA . 18425 1 478 . 1 1 59 59 VAL HB H 1 2.064 0.02 . 1 . . . . 59 VAL HB . 18425 1 479 . 1 1 59 59 VAL HG11 H 1 0.994 0.008 . 2 . . . . 59 VAL HG11 . 18425 1 480 . 1 1 59 59 VAL HG12 H 1 0.994 0.008 . 2 . . . . 59 VAL HG12 . 18425 1 481 . 1 1 59 59 VAL HG13 H 1 0.994 0.008 . 2 . . . . 59 VAL HG13 . 18425 1 482 . 1 1 59 59 VAL HG21 H 1 0.887 0.006 . 2 . . . . 59 VAL HG21 . 18425 1 483 . 1 1 59 59 VAL HG22 H 1 0.887 0.006 . 2 . . . . 59 VAL HG22 . 18425 1 484 . 1 1 59 59 VAL HG23 H 1 0.887 0.006 . 2 . . . . 59 VAL HG23 . 18425 1 485 . 1 1 59 59 VAL C C 13 177.564 0.02 . 1 . . . . 59 VAL C . 18425 1 486 . 1 1 59 59 VAL CA C 13 66.029 0.029 . 1 . . . . 59 VAL CA . 18425 1 487 . 1 1 59 59 VAL CB C 13 31.688 0.059 . 1 . . . . 59 VAL CB . 18425 1 488 . 1 1 59 59 VAL CG1 C 13 22.7 0.02 . 2 . . . . 59 VAL CG1 . 18425 1 489 . 1 1 59 59 VAL CG2 C 13 20.2 0.02 . 2 . . . . 59 VAL CG2 . 18425 1 490 . 1 1 59 59 VAL N N 15 120.935 0.035 . 1 . . . . 59 VAL N . 18425 1 491 . 1 1 60 60 LEU H H 1 8.014 0.003 . 1 . . . . 60 LEU H . 18425 1 492 . 1 1 60 60 LEU HA H 1 4.145 0.02 . 1 . . . . 60 LEU HA . 18425 1 493 . 1 1 60 60 LEU HB2 H 1 1.901 0.001 . 2 . . . . 60 LEU HB2 . 18425 1 494 . 1 1 60 60 LEU HB3 H 1 1.349 0.02 . 2 . . . . 60 LEU HB3 . 18425 1 495 . 1 1 60 60 LEU HG H 1 1.708 0.001 . 1 . . . . 60 LEU HG . 18425 1 496 . 1 1 60 60 LEU HD11 H 1 0.799 0.02 . 2 . . . . 60 LEU HD11 . 18425 1 497 . 1 1 60 60 LEU HD12 H 1 0.799 0.02 . 2 . . . . 60 LEU HD12 . 18425 1 498 . 1 1 60 60 LEU HD13 H 1 0.799 0.02 . 2 . . . . 60 LEU HD13 . 18425 1 499 . 1 1 60 60 LEU HD21 H 1 0.777 0.02 . 2 . . . . 60 LEU HD21 . 18425 1 500 . 1 1 60 60 LEU HD22 H 1 0.777 0.02 . 2 . . . . 60 LEU HD22 . 18425 1 501 . 1 1 60 60 LEU HD23 H 1 0.777 0.02 . 2 . . . . 60 LEU HD23 . 18425 1 502 . 1 1 60 60 LEU C C 13 178.919 0.02 . 1 . . . . 60 LEU C . 18425 1 503 . 1 1 60 60 LEU CA C 13 58.117 0.023 . 1 . . . . 60 LEU CA . 18425 1 504 . 1 1 60 60 LEU CB C 13 40.672 0.034 . 1 . . . . 60 LEU CB . 18425 1 505 . 1 1 60 60 LEU CD1 C 13 25.701 0.001 . 2 . . . . 60 LEU CD1 . 18425 1 506 . 1 1 60 60 LEU CD2 C 13 23.61 0.02 . 2 . . . . 60 LEU CD2 . 18425 1 507 . 1 1 60 60 LEU N N 15 119.704 0.046 . 1 . . . . 60 LEU N . 18425 1 508 . 1 1 61 61 ASP H H 1 7.617 0.002 . 1 . . . . 61 ASP H . 18425 1 509 . 1 1 61 61 ASP HA H 1 4.217 0.02 . 1 . . . . 61 ASP HA . 18425 1 510 . 1 1 61 61 ASP HB2 H 1 2.652 0.02 . 2 . . . . 61 ASP HB2 . 18425 1 511 . 1 1 61 61 ASP HB3 H 1 2.552 0.02 . 2 . . . . 61 ASP HB3 . 18425 1 512 . 1 1 61 61 ASP C C 13 179.009 0.02 . 1 . . . . 61 ASP C . 18425 1 513 . 1 1 61 61 ASP CA C 13 57.66 0.011 . 1 . . . . 61 ASP CA . 18425 1 514 . 1 1 61 61 ASP CB C 13 41.005 0.004 . 1 . . . . 61 ASP CB . 18425 1 515 . 1 1 61 61 ASP N N 15 119.324 0.049 . 1 . . . . 61 ASP N . 18425 1 516 . 1 1 62 62 ARG H H 1 7.785 0.003 . 1 . . . . 62 ARG H . 18425 1 517 . 1 1 62 62 ARG HA H 1 3.874 0.001 . 1 . . . . 62 ARG HA . 18425 1 518 . 1 1 62 62 ARG HB2 H 1 1.85 0.02 . 2 . . . . 62 ARG HB2 . 18425 1 519 . 1 1 62 62 ARG HB3 H 1 1.705 0.02 . 2 . . . . 62 ARG HB3 . 18425 1 520 . 1 1 62 62 ARG HG2 H 1 1.757 0.02 . 2 . . . . 62 ARG HG2 . 18425 1 521 . 1 1 62 62 ARG HG3 H 1 1.415 0.02 . 2 . . . . 62 ARG HG3 . 18425 1 522 . 1 1 62 62 ARG HD2 H 1 3.183 0.02 . 2 . . . . 62 ARG HD2 . 18425 1 523 . 1 1 62 62 ARG HD3 H 1 3.026 0.02 . 2 . . . . 62 ARG HD3 . 18425 1 524 . 1 1 62 62 ARG C C 13 179.211 0.02 . 1 . . . . 62 ARG C . 18425 1 525 . 1 1 62 62 ARG CA C 13 59.62 0.02 . 1 . . . . 62 ARG CA . 18425 1 526 . 1 1 62 62 ARG CB C 13 30.18 0.018 . 1 . . . . 62 ARG CB . 18425 1 527 . 1 1 62 62 ARG CG C 13 28.19 0.02 . 1 . . . . 62 ARG CG . 18425 1 528 . 1 1 62 62 ARG CD C 13 43.576 0.02 . 1 . . . . 62 ARG CD . 18425 1 529 . 1 1 62 62 ARG N N 15 118.534 0.066 . 1 . . . . 62 ARG N . 18425 1 530 . 1 1 63 63 MET H H 1 8.331 0.003 . 1 . . . . 63 MET H . 18425 1 531 . 1 1 63 63 MET HA H 1 3.931 0.02 . 1 . . . . 63 MET HA . 18425 1 532 . 1 1 63 63 MET HB2 H 1 2.324 0.02 . 2 . . . . 63 MET HB2 . 18425 1 533 . 1 1 63 63 MET HB3 H 1 2.105 0.02 . 2 . . . . 63 MET HB3 . 18425 1 534 . 1 1 63 63 MET HG2 H 1 2.718 0.02 . 2 . . . . 63 MET HG2 . 18425 1 535 . 1 1 63 63 MET HG3 H 1 2.431 0.02 . 2 . . . . 63 MET HG3 . 18425 1 536 . 1 1 63 63 MET C C 13 177.39 0.02 . 1 . . . . 63 MET C . 18425 1 537 . 1 1 63 63 MET CA C 13 59.358 0.033 . 1 . . . . 63 MET CA . 18425 1 538 . 1 1 63 63 MET CB C 13 33.635 0.106 . 1 . . . . 63 MET CB . 18425 1 539 . 1 1 63 63 MET CG C 13 32.33 0.02 . 1 . . . . 63 MET CG . 18425 1 540 . 1 1 63 63 MET N N 15 120.273 0.05 . 1 . . . . 63 MET N . 18425 1 541 . 1 1 64 64 MET H H 1 7.931 0.003 . 1 . . . . 64 MET H . 18425 1 542 . 1 1 64 64 MET HA H 1 3.305 0.02 . 1 . . . . 64 MET HA . 18425 1 543 . 1 1 64 64 MET HB2 H 1 1.971 0.02 . 2 . . . . 64 MET HB2 . 18425 1 544 . 1 1 64 64 MET HB3 H 1 1.597 0.02 . 2 . . . . 64 MET HB3 . 18425 1 545 . 1 1 64 64 MET HG2 H 1 2.286 0.002 . 2 . . . . 64 MET HG2 . 18425 1 546 . 1 1 64 64 MET C C 13 176.674 0.02 . 1 . . . . 64 MET C . 18425 1 547 . 1 1 64 64 MET CA C 13 59.156 0.03 . 1 . . . . 64 MET CA . 18425 1 548 . 1 1 64 64 MET CB C 13 30.867 0.058 . 1 . . . . 64 MET CB . 18425 1 549 . 1 1 64 64 MET CG C 13 33.16 0.02 . 1 . . . . 64 MET CG . 18425 1 550 . 1 1 64 64 MET N N 15 117.725 0.046 . 1 . . . . 64 MET N . 18425 1 551 . 1 1 65 65 LYS H H 1 7.177 0.004 . 1 . . . . 65 LYS H . 18425 1 552 . 1 1 65 65 LYS HA H 1 3.893 0.02 . 1 . . . . 65 LYS HA . 18425 1 553 . 1 1 65 65 LYS HB2 H 1 1.725 0.02 . 2 . . . . 65 LYS HB2 . 18425 1 554 . 1 1 65 65 LYS HG2 H 1 1.419 0.02 . 2 . . . . 65 LYS HG2 . 18425 1 555 . 1 1 65 65 LYS HD2 H 1 1.671 0.02 . 2 . . . . 65 LYS HD2 . 18425 1 556 . 1 1 65 65 LYS HE2 H 1 2.812 0.02 . 2 . . . . 65 LYS HE2 . 18425 1 557 . 1 1 65 65 LYS C C 13 178.708 0.02 . 1 . . . . 65 LYS C . 18425 1 558 . 1 1 65 65 LYS CA C 13 59.136 0.003 . 1 . . . . 65 LYS CA . 18425 1 559 . 1 1 65 65 LYS CB C 13 32.464 0.063 . 1 . . . . 65 LYS CB . 18425 1 560 . 1 1 65 65 LYS CG C 13 25.379 0.02 . 1 . . . . 65 LYS CG . 18425 1 561 . 1 1 65 65 LYS CD C 13 29.062 0.02 . 1 . . . . 65 LYS CD . 18425 1 562 . 1 1 65 65 LYS CE C 13 42.246 0.02 . 1 . . . . 65 LYS CE . 18425 1 563 . 1 1 65 65 LYS N N 15 114.685 0.048 . 1 . . . . 65 LYS N . 18425 1 564 . 1 1 66 66 LYS H H 1 7.578 0.001 . 1 . . . . 66 LYS H . 18425 1 565 . 1 1 66 66 LYS HA H 1 3.836 0.02 . 1 . . . . 66 LYS HA . 18425 1 566 . 1 1 66 66 LYS HB2 H 1 1.762 0.02 . 2 . . . . 66 LYS HB2 . 18425 1 567 . 1 1 66 66 LYS HG2 H 1 1.299 0.02 . 2 . . . . 66 LYS HG2 . 18425 1 568 . 1 1 66 66 LYS HD2 H 1 1.523 0.02 . 2 . . . . 66 LYS HD2 . 18425 1 569 . 1 1 66 66 LYS HE2 H 1 2.815 0.02 . 2 . . . . 66 LYS HE2 . 18425 1 570 . 1 1 66 66 LYS C C 13 178.403 0.02 . 1 . . . . 66 LYS C . 18425 1 571 . 1 1 66 66 LYS CA C 13 58.254 0.004 . 1 . . . . 66 LYS CA . 18425 1 572 . 1 1 66 66 LYS CB C 13 32.511 0.06 . 1 . . . . 66 LYS CB . 18425 1 573 . 1 1 66 66 LYS CG C 13 24.712 0.02 . 1 . . . . 66 LYS CG . 18425 1 574 . 1 1 66 66 LYS CD C 13 29.037 0.02 . 1 . . . . 66 LYS CD . 18425 1 575 . 1 1 66 66 LYS CE C 13 42.241 0.02 . 1 . . . . 66 LYS CE . 18425 1 576 . 1 1 66 66 LYS N N 15 117.84 0.039 . 1 . . . . 66 LYS N . 18425 1 577 . 1 1 67 67 LEU H H 1 7.711 0.004 . 1 . . . . 67 LEU H . 18425 1 578 . 1 1 67 67 LEU HA H 1 4.016 0.02 . 1 . . . . 67 LEU HA . 18425 1 579 . 1 1 67 67 LEU HB2 H 1 1.53 0.03 . 2 . . . . 67 LEU HB2 . 18425 1 580 . 1 1 67 67 LEU HB3 H 1 1.192 0.019 . 2 . . . . 67 LEU HB3 . 18425 1 581 . 1 1 67 67 LEU HG H 1 1.662 0.004 . 1 . . . . 67 LEU HG . 18425 1 582 . 1 1 67 67 LEU HD11 H 1 0.692 0.02 . 2 . . . . 67 LEU HD11 . 18425 1 583 . 1 1 67 67 LEU HD12 H 1 0.692 0.02 . 2 . . . . 67 LEU HD12 . 18425 1 584 . 1 1 67 67 LEU HD13 H 1 0.692 0.02 . 2 . . . . 67 LEU HD13 . 18425 1 585 . 1 1 67 67 LEU HD21 H 1 0.718 0.02 . 2 . . . . 67 LEU HD21 . 18425 1 586 . 1 1 67 67 LEU HD22 H 1 0.718 0.02 . 2 . . . . 67 LEU HD22 . 18425 1 587 . 1 1 67 67 LEU HD23 H 1 0.718 0.02 . 2 . . . . 67 LEU HD23 . 18425 1 588 . 1 1 67 67 LEU C C 13 176.918 0.02 . 1 . . . . 67 LEU C . 18425 1 589 . 1 1 67 67 LEU CA C 13 55.148 0.022 . 1 . . . . 67 LEU CA . 18425 1 590 . 1 1 67 67 LEU CB C 13 43.43 0.019 . 1 . . . . 67 LEU CB . 18425 1 591 . 1 1 67 67 LEU CG C 13 27.19 0.02 . 1 . . . . 67 LEU CG . 18425 1 592 . 1 1 67 67 LEU CD1 C 13 27.63 0.02 . 2 . . . . 67 LEU CD1 . 18425 1 593 . 1 1 67 67 LEU CD2 C 13 22.29 0.02 . 2 . . . . 67 LEU CD2 . 18425 1 594 . 1 1 67 67 LEU N N 15 117.339 0.036 . 1 . . . . 67 LEU N . 18425 1 595 . 1 1 68 68 ASP H H 1 7.369 0.003 . 1 . . . . 68 ASP H . 18425 1 596 . 1 1 68 68 ASP HA H 1 4.575 0.02 . 1 . . . . 68 ASP HA . 18425 1 597 . 1 1 68 68 ASP HB2 H 1 2.815 0.02 . 2 . . . . 68 ASP HB2 . 18425 1 598 . 1 1 68 68 ASP HB3 H 1 2.228 0.02 . 2 . . . . 68 ASP HB3 . 18425 1 599 . 1 1 68 68 ASP C C 13 177.585 0.02 . 1 . . . . 68 ASP C . 18425 1 600 . 1 1 68 68 ASP CA C 13 52.345 0.023 . 1 . . . . 68 ASP CA . 18425 1 601 . 1 1 68 68 ASP CB C 13 38.98 0.041 . 1 . . . . 68 ASP CB . 18425 1 602 . 1 1 68 68 ASP N N 15 118.443 0.042 . 1 . . . . 68 ASP N . 18425 1 603 . 1 1 69 69 THR H H 1 8.198 0.003 . 1 . . . . 69 THR H . 18425 1 604 . 1 1 69 69 THR HA H 1 3.913 0.02 . 1 . . . . 69 THR HA . 18425 1 605 . 1 1 69 69 THR HB H 1 4.196 0.001 . 1 . . . . 69 THR HB . 18425 1 606 . 1 1 69 69 THR HG21 H 1 1.183 0.02 . 1 . . . . 69 THR HG21 . 18425 1 607 . 1 1 69 69 THR HG22 H 1 1.183 0.02 . 1 . . . . 69 THR HG22 . 18425 1 608 . 1 1 69 69 THR HG23 H 1 1.183 0.02 . 1 . . . . 69 THR HG23 . 18425 1 609 . 1 1 69 69 THR C C 13 175.985 0.02 . 1 . . . . 69 THR C . 18425 1 610 . 1 1 69 69 THR CA C 13 64.616 0.025 . 1 . . . . 69 THR CA . 18425 1 611 . 1 1 69 69 THR CB C 13 68.594 0.046 . 1 . . . . 69 THR CB . 18425 1 612 . 1 1 69 69 THR CG2 C 13 22.788 0.002 . 1 . . . . 69 THR CG2 . 18425 1 613 . 1 1 69 69 THR N N 15 118.61 0.048 . 1 . . . . 69 THR N . 18425 1 614 . 1 1 70 70 ASN H H 1 7.81 0.002 . 1 . . . . 70 ASN H . 18425 1 615 . 1 1 70 70 ASN HA H 1 4.771 0.02 . 1 . . . . 70 ASN HA . 18425 1 616 . 1 1 70 70 ASN HB2 H 1 3.133 0.02 . 2 . . . . 70 ASN HB2 . 18425 1 617 . 1 1 70 70 ASN HB3 H 1 2.666 0.02 . 2 . . . . 70 ASN HB3 . 18425 1 618 . 1 1 70 70 ASN C C 13 174.505 0.02 . 1 . . . . 70 ASN C . 18425 1 619 . 1 1 70 70 ASN CA C 13 51.64 0.025 . 1 . . . . 70 ASN CA . 18425 1 620 . 1 1 70 70 ASN CB C 13 36.904 0.02 . 1 . . . . 70 ASN CB . 18425 1 621 . 1 1 70 70 ASN N N 15 116.625 0.046 . 1 . . . . 70 ASN N . 18425 1 622 . 1 1 71 71 SER H H 1 7.702 0.002 . 1 . . . . 71 SER H . 18425 1 623 . 1 1 71 71 SER HA H 1 3.883 0.02 . 1 . . . . 71 SER HA . 18425 1 624 . 1 1 71 71 SER HB2 H 1 3.733 0.02 . 2 . . . . 71 SER HB2 . 18425 1 625 . 1 1 71 71 SER C C 13 173.871 0.02 . 1 . . . . 71 SER C . 18425 1 626 . 1 1 71 71 SER CA C 13 58.926 0.013 . 1 . . . . 71 SER CA . 18425 1 627 . 1 1 71 71 SER CB C 13 61.534 0.041 . 1 . . . . 71 SER CB . 18425 1 628 . 1 1 71 71 SER N N 15 112.173 0.043 . 1 . . . . 71 SER N . 18425 1 629 . 1 1 72 72 ASP H H 1 8.302 0.004 . 1 . . . . 72 ASP H . 18425 1 630 . 1 1 72 72 ASP HA H 1 4.644 0.02 . 1 . . . . 72 ASP HA . 18425 1 631 . 1 1 72 72 ASP HB2 H 1 2.941 0.02 . 2 . . . . 72 ASP HB2 . 18425 1 632 . 1 1 72 72 ASP HB3 H 1 2.268 0.02 . 2 . . . . 72 ASP HB3 . 18425 1 633 . 1 1 72 72 ASP C C 13 178.182 0.02 . 1 . . . . 72 ASP C . 18425 1 634 . 1 1 72 72 ASP CA C 13 52.428 0.019 . 1 . . . . 72 ASP CA . 18425 1 635 . 1 1 72 72 ASP CB C 13 40.645 0.031 . 1 . . . . 72 ASP CB . 18425 1 636 . 1 1 72 72 ASP N N 15 118.278 0.048 . 1 . . . . 72 ASP N . 18425 1 637 . 1 1 73 73 GLY H H 1 10.502 0.005 . 1 . . . . 73 GLY H . 18425 1 638 . 1 1 73 73 GLY HA2 H 1 3.937 0.02 . 2 . . . . 73 GLY HA2 . 18425 1 639 . 1 1 73 73 GLY HA3 H 1 3.365 0.02 . 2 . . . . 73 GLY HA3 . 18425 1 640 . 1 1 73 73 GLY C C 13 172.594 0.02 . 1 . . . . 73 GLY C . 18425 1 641 . 1 1 73 73 GLY CA C 13 45.994 0.072 . 1 . . . . 73 GLY CA . 18425 1 642 . 1 1 73 73 GLY N N 15 113.608 0.036 . 1 . . . . 73 GLY N . 18425 1 643 . 1 1 74 74 GLN H H 1 7.639 0.002 . 1 . . . . 74 GLN H . 18425 1 644 . 1 1 74 74 GLN HA H 1 4.769 0.011 . 1 . . . . 74 GLN HA . 18425 1 645 . 1 1 74 74 GLN HB2 H 1 1.779 0.02 . 2 . . . . 74 GLN HB2 . 18425 1 646 . 1 1 74 74 GLN HB3 H 1 1.563 0.02 . 2 . . . . 74 GLN HB3 . 18425 1 647 . 1 1 74 74 GLN HG2 H 1 1.972 0.02 . 2 . . . . 74 GLN HG2 . 18425 1 648 . 1 1 74 74 GLN C C 13 174.694 0.02 . 1 . . . . 74 GLN C . 18425 1 649 . 1 1 74 74 GLN CA C 13 52.943 0.043 . 1 . . . . 74 GLN CA . 18425 1 650 . 1 1 74 74 GLN CB C 13 32.359 0.023 . 1 . . . . 74 GLN CB . 18425 1 651 . 1 1 74 74 GLN CG C 13 32.61 0.02 . 1 . . . . 74 GLN CG . 18425 1 652 . 1 1 74 74 GLN N N 15 115.552 0.043 . 1 . . . . 74 GLN N . 18425 1 653 . 1 1 75 75 LEU H H 1 9.624 0.006 . 1 . . . . 75 LEU H . 18425 1 654 . 1 1 75 75 LEU HA H 1 5.86 0.02 . 1 . . . . 75 LEU HA . 18425 1 655 . 1 1 75 75 LEU HB2 H 1 1.932 0.02 . 2 . . . . 75 LEU HB2 . 18425 1 656 . 1 1 75 75 LEU HB3 H 1 1.337 0.02 . 2 . . . . 75 LEU HB3 . 18425 1 657 . 1 1 75 75 LEU HD11 H 1 0.476 0.02 . 2 . . . . 75 LEU HD11 . 18425 1 658 . 1 1 75 75 LEU HD12 H 1 0.476 0.02 . 2 . . . . 75 LEU HD12 . 18425 1 659 . 1 1 75 75 LEU HD13 H 1 0.476 0.02 . 2 . . . . 75 LEU HD13 . 18425 1 660 . 1 1 75 75 LEU HD21 H 1 0.481 0.02 . 2 . . . . 75 LEU HD21 . 18425 1 661 . 1 1 75 75 LEU HD22 H 1 0.481 0.02 . 2 . . . . 75 LEU HD22 . 18425 1 662 . 1 1 75 75 LEU HD23 H 1 0.481 0.02 . 2 . . . . 75 LEU HD23 . 18425 1 663 . 1 1 75 75 LEU C C 13 176.576 0.02 . 1 . . . . 75 LEU C . 18425 1 664 . 1 1 75 75 LEU CA C 13 52.659 0.012 . 1 . . . . 75 LEU CA . 18425 1 665 . 1 1 75 75 LEU CB C 13 43.281 0.038 . 1 . . . . 75 LEU CB . 18425 1 666 . 1 1 75 75 LEU CD1 C 13 26.769 0.02 . 2 . . . . 75 LEU CD1 . 18425 1 667 . 1 1 75 75 LEU CD2 C 13 23.103 0.02 . 2 . . . . 75 LEU CD2 . 18425 1 668 . 1 1 75 75 LEU N N 15 123.359 0.043 . 1 . . . . 75 LEU N . 18425 1 669 . 1 1 76 76 ASP H H 1 8.983 0.003 . 1 . . . . 76 ASP H . 18425 1 670 . 1 1 76 76 ASP HA H 1 5.04 0.02 . 1 . . . . 76 ASP HA . 18425 1 671 . 1 1 76 76 ASP HB2 H 1 3.28 0.02 . 2 . . . . 76 ASP HB2 . 18425 1 672 . 1 1 76 76 ASP HB3 H 1 2.51 0.02 . 2 . . . . 76 ASP HB3 . 18425 1 673 . 1 1 76 76 ASP C C 13 175.101 0.02 . 1 . . . . 76 ASP C . 18425 1 674 . 1 1 76 76 ASP CA C 13 52.203 0.018 . 1 . . . . 76 ASP CA . 18425 1 675 . 1 1 76 76 ASP CB C 13 41.406 0.005 . 1 . . . . 76 ASP CB . 18425 1 676 . 1 1 76 76 ASP N N 15 124.617 0.038 . 1 . . . . 76 ASP N . 18425 1 677 . 1 1 77 77 PHE H H 1 8.996 0.003 . 1 . . . . 77 PHE H . 18425 1 678 . 1 1 77 77 PHE HA H 1 3.188 0.02 . 1 . . . . 77 PHE HA . 18425 1 679 . 1 1 77 77 PHE HB2 H 1 2.22 0.02 . 2 . . . . 77 PHE HB2 . 18425 1 680 . 1 1 77 77 PHE HB3 H 1 1.944 0.02 . 2 . . . . 77 PHE HB3 . 18425 1 681 . 1 1 77 77 PHE C C 13 176.715 0.02 . 1 . . . . 77 PHE C . 18425 1 682 . 1 1 77 77 PHE CA C 13 61.364 0.008 . 1 . . . . 77 PHE CA . 18425 1 683 . 1 1 77 77 PHE CB C 13 38.841 0.012 . 1 . . . . 77 PHE CB . 18425 1 684 . 1 1 77 77 PHE N N 15 119.095 0.056 . 1 . . . . 77 PHE N . 18425 1 685 . 1 1 78 78 SER H H 1 8.017 0.003 . 1 . . . . 78 SER H . 18425 1 686 . 1 1 78 78 SER HA H 1 3.77 0.02 . 1 . . . . 78 SER HA . 18425 1 687 . 1 1 78 78 SER HB2 H 1 3.892 0.02 . 2 . . . . 78 SER HB2 . 18425 1 688 . 1 1 78 78 SER C C 13 176.954 0.02 . 1 . . . . 78 SER C . 18425 1 689 . 1 1 78 78 SER CA C 13 61.603 0.009 . 1 . . . . 78 SER CA . 18425 1 690 . 1 1 78 78 SER CB C 13 62.511 0.02 . 1 . . . . 78 SER CB . 18425 1 691 . 1 1 78 78 SER N N 15 113.971 0.037 . 1 . . . . 78 SER N . 18425 1 692 . 1 1 79 79 GLU H H 1 7.968 0.003 . 1 . . . . 79 GLU H . 18425 1 693 . 1 1 79 79 GLU HA H 1 4.096 0.02 . 1 . . . . 79 GLU HA . 18425 1 694 . 1 1 79 79 GLU C C 13 179.733 0.02 . 1 . . . . 79 GLU C . 18425 1 695 . 1 1 79 79 GLU CA C 13 58.658 0.006 . 1 . . . . 79 GLU CA . 18425 1 696 . 1 1 79 79 GLU CB C 13 30.063 0.02 . 1 . . . . 79 GLU CB . 18425 1 697 . 1 1 79 79 GLU CG C 13 36.629 0.02 . 1 . . . . 79 GLU CG . 18425 1 698 . 1 1 79 79 GLU N N 15 124.375 0.036 . 1 . . . . 79 GLU N . 18425 1 699 . 1 1 80 80 PHE H H 1 8.663 0.004 . 1 . . . . 80 PHE H . 18425 1 700 . 1 1 80 80 PHE HA H 1 3.91 0.02 . 1 . . . . 80 PHE HA . 18425 1 701 . 1 1 80 80 PHE HB2 H 1 3.046 0.02 . 2 . . . . 80 PHE HB2 . 18425 1 702 . 1 1 80 80 PHE HB3 H 1 2.798 0.02 . 2 . . . . 80 PHE HB3 . 18425 1 703 . 1 1 80 80 PHE C C 13 176.84 0.02 . 1 . . . . 80 PHE C . 18425 1 704 . 1 1 80 80 PHE CA C 13 60.852 0.015 . 1 . . . . 80 PHE CA . 18425 1 705 . 1 1 80 80 PHE CB C 13 39.767 0.001 . 1 . . . . 80 PHE CB . 18425 1 706 . 1 1 80 80 PHE N N 15 121.14 0.033 . 1 . . . . 80 PHE N . 18425 1 707 . 1 1 81 81 LEU H H 1 8.24 0.003 . 1 . . . . 81 LEU H . 18425 1 708 . 1 1 81 81 LEU HA H 1 3.298 0.02 . 1 . . . . 81 LEU HA . 18425 1 709 . 1 1 81 81 LEU HB2 H 1 1.539 0.02 . 2 . . . . 81 LEU HB2 . 18425 1 710 . 1 1 81 81 LEU HB3 H 1 0.893 0.02 . 2 . . . . 81 LEU HB3 . 18425 1 711 . 1 1 81 81 LEU HG H 1 0.814 0.02 . 1 . . . . 81 LEU HG . 18425 1 712 . 1 1 81 81 LEU HD11 H 1 0.396 0.02 . 2 . . . . 81 LEU HD11 . 18425 1 713 . 1 1 81 81 LEU HD12 H 1 0.396 0.02 . 2 . . . . 81 LEU HD12 . 18425 1 714 . 1 1 81 81 LEU HD13 H 1 0.396 0.02 . 2 . . . . 81 LEU HD13 . 18425 1 715 . 1 1 81 81 LEU HD21 H 1 0.286 0.02 . 2 . . . . 81 LEU HD21 . 18425 1 716 . 1 1 81 81 LEU HD22 H 1 0.286 0.02 . 2 . . . . 81 LEU HD22 . 18425 1 717 . 1 1 81 81 LEU HD23 H 1 0.286 0.02 . 2 . . . . 81 LEU HD23 . 18425 1 718 . 1 1 81 81 LEU C C 13 179.765 0.02 . 1 . . . . 81 LEU C . 18425 1 719 . 1 1 81 81 LEU CA C 13 57.418 0.004 . 1 . . . . 81 LEU CA . 18425 1 720 . 1 1 81 81 LEU CB C 13 40.869 0.008 . 1 . . . . 81 LEU CB . 18425 1 721 . 1 1 81 81 LEU CD1 C 13 26.77 0.02 . 2 . . . . 81 LEU CD1 . 18425 1 722 . 1 1 81 81 LEU CD2 C 13 22 0.02 . 2 . . . . 81 LEU CD2 . 18425 1 723 . 1 1 81 81 LEU N N 15 119.579 0.026 . 1 . . . . 81 LEU N . 18425 1 724 . 1 1 82 82 ASN H H 1 7.252 0.003 . 1 . . . . 82 ASN H . 18425 1 725 . 1 1 82 82 ASN HA H 1 4.314 0.02 . 1 . . . . 82 ASN HA . 18425 1 726 . 1 1 82 82 ASN HB2 H 1 2.86 0.02 . 2 . . . . 82 ASN HB2 . 18425 1 727 . 1 1 82 82 ASN HB3 H 1 2.636 0.02 . 2 . . . . 82 ASN HB3 . 18425 1 728 . 1 1 82 82 ASN C C 13 178.13 0.02 . 1 . . . . 82 ASN C . 18425 1 729 . 1 1 82 82 ASN CA C 13 55.779 0.014 . 1 . . . . 82 ASN CA . 18425 1 730 . 1 1 82 82 ASN CB C 13 37.647 0.015 . 1 . . . . 82 ASN CB . 18425 1 731 . 1 1 82 82 ASN N N 15 118.333 0.043 . 1 . . . . 82 ASN N . 18425 1 732 . 1 1 83 83 LEU H H 1 7.297 0.005 . 1 . . . . 83 LEU H . 18425 1 733 . 1 1 83 83 LEU HA H 1 3.885 0.004 . 1 . . . . 83 LEU HA . 18425 1 734 . 1 1 83 83 LEU HB2 H 1 2.172 0.006 . 2 . . . . 83 LEU HB2 . 18425 1 735 . 1 1 83 83 LEU HB3 H 1 1.459 0.003 . 2 . . . . 83 LEU HB3 . 18425 1 736 . 1 1 83 83 LEU HG H 1 1.231 0.001 . 1 . . . . 83 LEU HG . 18425 1 737 . 1 1 83 83 LEU HD11 H 1 0.861 0.02 . 2 . . . . 83 LEU HD11 . 18425 1 738 . 1 1 83 83 LEU HD12 H 1 0.861 0.02 . 2 . . . . 83 LEU HD12 . 18425 1 739 . 1 1 83 83 LEU HD13 H 1 0.861 0.02 . 2 . . . . 83 LEU HD13 . 18425 1 740 . 1 1 83 83 LEU HD21 H 1 0.808 0.02 . 2 . . . . 83 LEU HD21 . 18425 1 741 . 1 1 83 83 LEU HD22 H 1 0.808 0.02 . 2 . . . . 83 LEU HD22 . 18425 1 742 . 1 1 83 83 LEU HD23 H 1 0.808 0.02 . 2 . . . . 83 LEU HD23 . 18425 1 743 . 1 1 83 83 LEU C C 13 177.891 0.02 . 1 . . . . 83 LEU C . 18425 1 744 . 1 1 83 83 LEU CA C 13 58.001 0.002 . 1 . . . . 83 LEU CA . 18425 1 745 . 1 1 83 83 LEU CB C 13 40.33 0.006 . 1 . . . . 83 LEU CB . 18425 1 746 . 1 1 83 83 LEU CG C 13 27.76 0.02 . 1 . . . . 83 LEU CG . 18425 1 747 . 1 1 83 83 LEU CD1 C 13 25.94 0.02 . 2 . . . . 83 LEU CD1 . 18425 1 748 . 1 1 83 83 LEU CD2 C 13 23.78 0.02 . 2 . . . . 83 LEU CD2 . 18425 1 749 . 1 1 83 83 LEU N N 15 124.042 0.045 . 1 . . . . 83 LEU N . 18425 1 750 . 1 1 84 84 ILE H H 1 7.462 0.001 . 1 . . . . 84 ILE H . 18425 1 751 . 1 1 84 84 ILE HA H 1 3.238 0.02 . 1 . . . . 84 ILE HA . 18425 1 752 . 1 1 84 84 ILE HB H 1 1.593 0.02 . 1 . . . . 84 ILE HB . 18425 1 753 . 1 1 84 84 ILE HG21 H 1 0.485 0.001 . 1 . . . . 84 ILE HG21 . 18425 1 754 . 1 1 84 84 ILE HG22 H 1 0.485 0.001 . 1 . . . . 84 ILE HG22 . 18425 1 755 . 1 1 84 84 ILE HG23 H 1 0.485 0.001 . 1 . . . . 84 ILE HG23 . 18425 1 756 . 1 1 84 84 ILE C C 13 177.807 0.02 . 1 . . . . 84 ILE C . 18425 1 757 . 1 1 84 84 ILE CA C 13 61.691 0.018 . 1 . . . . 84 ILE CA . 18425 1 758 . 1 1 84 84 ILE CB C 13 35.218 0.004 . 1 . . . . 84 ILE CB . 18425 1 759 . 1 1 84 84 ILE CG1 C 13 25.982 0.02 . 1 . . . . 84 ILE CG1 . 18425 1 760 . 1 1 84 84 ILE CG2 C 13 15.818 0.002 . 1 . . . . 84 ILE CG2 . 18425 1 761 . 1 1 84 84 ILE N N 15 117.614 0.035 . 1 . . . . 84 ILE N . 18425 1 762 . 1 1 85 85 GLY H H 1 8.55 0.004 . 1 . . . . 85 GLY H . 18425 1 763 . 1 1 85 85 GLY HA2 H 1 3.83 0.02 . 2 . . . . 85 GLY HA2 . 18425 1 764 . 1 1 85 85 GLY HA3 H 1 3.436 0.02 . 2 . . . . 85 GLY HA3 . 18425 1 765 . 1 1 85 85 GLY C C 13 175.52 0.02 . 1 . . . . 85 GLY C . 18425 1 766 . 1 1 85 85 GLY CA C 13 47.279 0.01 . 1 . . . . 85 GLY CA . 18425 1 767 . 1 1 85 85 GLY N N 15 106.556 0.025 . 1 . . . . 85 GLY N . 18425 1 768 . 1 1 86 86 GLY H H 1 7.686 0.001 . 1 . . . . 86 GLY H . 18425 1 769 . 1 1 86 86 GLY HA2 H 1 3.846 0.02 . 2 . . . . 86 GLY HA2 . 18425 1 770 . 1 1 86 86 GLY HA3 H 1 3.684 0.02 . 2 . . . . 86 GLY HA3 . 18425 1 771 . 1 1 86 86 GLY C C 13 177.441 0.02 . 1 . . . . 86 GLY C . 18425 1 772 . 1 1 86 86 GLY CA C 13 47.268 0.045 . 1 . . . . 86 GLY CA . 18425 1 773 . 1 1 86 86 GLY N N 15 107.996 0.026 . 1 . . . . 86 GLY N . 18425 1 774 . 1 1 87 87 LEU H H 1 7.587 0.004 . 1 . . . . 87 LEU H . 18425 1 775 . 1 1 87 87 LEU HA H 1 3.997 0.02 . 1 . . . . 87 LEU HA . 18425 1 776 . 1 1 87 87 LEU HB2 H 1 1.618 0.02 . 2 . . . . 87 LEU HB2 . 18425 1 777 . 1 1 87 87 LEU HB3 H 1 1.196 0.02 . 2 . . . . 87 LEU HB3 . 18425 1 778 . 1 1 87 87 LEU HG H 1 1.463 0.02 . 1 . . . . 87 LEU HG . 18425 1 779 . 1 1 87 87 LEU HD11 H 1 0.369 0.003 . 2 . . . . 87 LEU HD11 . 18425 1 780 . 1 1 87 87 LEU HD12 H 1 0.369 0.003 . 2 . . . . 87 LEU HD12 . 18425 1 781 . 1 1 87 87 LEU HD13 H 1 0.369 0.003 . 2 . . . . 87 LEU HD13 . 18425 1 782 . 1 1 87 87 LEU HD21 H 1 0.297 0.02 . 2 . . . . 87 LEU HD21 . 18425 1 783 . 1 1 87 87 LEU HD22 H 1 0.297 0.02 . 2 . . . . 87 LEU HD22 . 18425 1 784 . 1 1 87 87 LEU HD23 H 1 0.297 0.02 . 2 . . . . 87 LEU HD23 . 18425 1 785 . 1 1 87 87 LEU C C 13 179.559 0.02 . 1 . . . . 87 LEU C . 18425 1 786 . 1 1 87 87 LEU CA C 13 57.469 0.002 . 1 . . . . 87 LEU CA . 18425 1 787 . 1 1 87 87 LEU CB C 13 41.517 0.006 . 1 . . . . 87 LEU CB . 18425 1 788 . 1 1 87 87 LEU CG C 13 26.68 0.02 . 1 . . . . 87 LEU CG . 18425 1 789 . 1 1 87 87 LEU CD1 C 13 26.101 0.001 . 2 . . . . 87 LEU CD1 . 18425 1 790 . 1 1 87 87 LEU CD2 C 13 22.931 0.001 . 2 . . . . 87 LEU CD2 . 18425 1 791 . 1 1 87 87 LEU N N 15 123.018 0.029 . 1 . . . . 87 LEU N . 18425 1 792 . 1 1 88 88 ALA H H 1 8.812 0.007 . 1 . . . . 88 ALA H . 18425 1 793 . 1 1 88 88 ALA HA H 1 3.931 0.02 . 1 . . . . 88 ALA HA . 18425 1 794 . 1 1 88 88 ALA HB1 H 1 1.476 0.02 . 1 . . . . 88 ALA HB1 . 18425 1 795 . 1 1 88 88 ALA HB2 H 1 1.476 0.02 . 1 . . . . 88 ALA HB2 . 18425 1 796 . 1 1 88 88 ALA HB3 H 1 1.476 0.02 . 1 . . . . 88 ALA HB3 . 18425 1 797 . 1 1 88 88 ALA C C 13 179.334 0.02 . 1 . . . . 88 ALA C . 18425 1 798 . 1 1 88 88 ALA CA C 13 55.351 0.004 . 1 . . . . 88 ALA CA . 18425 1 799 . 1 1 88 88 ALA CB C 13 17.699 0.011 . 1 . . . . 88 ALA CB . 18425 1 800 . 1 1 88 88 ALA N N 15 122.247 0.041 . 1 . . . . 88 ALA N . 18425 1 801 . 1 1 89 89 MET H H 1 8.68 0.004 . 1 . . . . 89 MET H . 18425 1 802 . 1 1 89 89 MET HA H 1 4.054 0.02 . 1 . . . . 89 MET HA . 18425 1 803 . 1 1 89 89 MET HB2 H 1 2.078 0.02 . 2 . . . . 89 MET HB2 . 18425 1 804 . 1 1 89 89 MET HG2 H 1 2.548 0.001 . 2 . . . . 89 MET HG2 . 18425 1 805 . 1 1 89 89 MET HG3 H 1 2.42 0.02 . 2 . . . . 89 MET HG3 . 18425 1 806 . 1 1 89 89 MET C C 13 177.803 0.02 . 1 . . . . 89 MET C . 18425 1 807 . 1 1 89 89 MET CA C 13 59.068 0.003 . 1 . . . . 89 MET CA . 18425 1 808 . 1 1 89 89 MET CB C 13 32.487 0.08 . 1 . . . . 89 MET CB . 18425 1 809 . 1 1 89 89 MET CG C 13 32.38 0.02 . 1 . . . . 89 MET CG . 18425 1 810 . 1 1 89 89 MET N N 15 117.598 0.021 . 1 . . . . 89 MET N . 18425 1 811 . 1 1 90 90 ALA H H 1 7.406 0.003 . 1 . . . . 90 ALA H . 18425 1 812 . 1 1 90 90 ALA HA H 1 4.143 0.02 . 1 . . . . 90 ALA HA . 18425 1 813 . 1 1 90 90 ALA HB1 H 1 1.454 0.02 . 1 . . . . 90 ALA HB1 . 18425 1 814 . 1 1 90 90 ALA HB2 H 1 1.454 0.02 . 1 . . . . 90 ALA HB2 . 18425 1 815 . 1 1 90 90 ALA HB3 H 1 1.454 0.02 . 1 . . . . 90 ALA HB3 . 18425 1 816 . 1 1 90 90 ALA C C 13 180.592 0.02 . 1 . . . . 90 ALA C . 18425 1 817 . 1 1 90 90 ALA CA C 13 54.974 0.013 . 1 . . . . 90 ALA CA . 18425 1 818 . 1 1 90 90 ALA CB C 13 18.058 0.002 . 1 . . . . 90 ALA CB . 18425 1 819 . 1 1 90 90 ALA N N 15 120.873 0.024 . 1 . . . . 90 ALA N . 18425 1 820 . 1 1 91 91 CYS H H 1 7.947 0.004 . 1 . . . . 91 CYS H . 18425 1 821 . 1 1 91 91 CYS HA H 1 4.068 0.02 . 1 . . . . 91 CYS HA . 18425 1 822 . 1 1 91 91 CYS HB2 H 1 2.791 0.02 . 2 . . . . 91 CYS HB2 . 18425 1 823 . 1 1 91 91 CYS C C 13 176.814 0.02 . 1 . . . . 91 CYS C . 18425 1 824 . 1 1 91 91 CYS CA C 13 62.509 0.027 . 1 . . . . 91 CYS CA . 18425 1 825 . 1 1 91 91 CYS CB C 13 26.967 0.023 . 1 . . . . 91 CYS CB . 18425 1 826 . 1 1 91 91 CYS N N 15 117.494 0.062 . 1 . . . . 91 CYS N . 18425 1 827 . 1 1 92 92 HIS H H 1 8.681 0.008 . 1 . . . . 92 HIS H . 18425 1 828 . 1 1 92 92 HIS HA H 1 4.355 0.02 . 1 . . . . 92 HIS HA . 18425 1 829 . 1 1 92 92 HIS HB2 H 1 3.694 0.02 . 2 . . . . 92 HIS HB2 . 18425 1 830 . 1 1 92 92 HIS C C 13 176.312 0.02 . 1 . . . . 92 HIS C . 18425 1 831 . 1 1 92 92 HIS CA C 13 60.499 0.024 . 1 . . . . 92 HIS CA . 18425 1 832 . 1 1 92 92 HIS N N 15 123.201 0.047 . 1 . . . . 92 HIS N . 18425 1 833 . 1 1 93 93 ASP H H 1 8.289 0.003 . 1 . . . . 93 ASP H . 18425 1 834 . 1 1 93 93 ASP HA H 1 4.158 0.02 . 1 . . . . 93 ASP HA . 18425 1 835 . 1 1 93 93 ASP HB2 H 1 2.659 0.02 . 2 . . . . 93 ASP HB2 . 18425 1 836 . 1 1 93 93 ASP HB3 H 1 2.501 0.02 . 2 . . . . 93 ASP HB3 . 18425 1 837 . 1 1 93 93 ASP C C 13 178.419 0.02 . 1 . . . . 93 ASP C . 18425 1 838 . 1 1 93 93 ASP CA C 13 57.303 0.01 . 1 . . . . 93 ASP CA . 18425 1 839 . 1 1 93 93 ASP CB C 13 40.758 0.003 . 1 . . . . 93 ASP CB . 18425 1 840 . 1 1 93 93 ASP N N 15 118.648 0.071 . 1 . . . . 93 ASP N . 18425 1 841 . 1 1 94 94 SER H H 1 7.645 0.005 . 1 . . . . 94 SER H . 18425 1 842 . 1 1 94 94 SER HA H 1 4.005 0.02 . 1 . . . . 94 SER HA . 18425 1 843 . 1 1 94 94 SER HB2 H 1 3.786 0.02 . 2 . . . . 94 SER HB2 . 18425 1 844 . 1 1 94 94 SER C C 13 176.095 0.02 . 1 . . . . 94 SER C . 18425 1 845 . 1 1 94 94 SER CA C 13 61.252 0.023 . 1 . . . . 94 SER CA . 18425 1 846 . 1 1 94 94 SER CB C 13 62.737 0.001 . 1 . . . . 94 SER CB . 18425 1 847 . 1 1 94 94 SER N N 15 113.355 0.034 . 1 . . . . 94 SER N . 18425 1 848 . 1 1 95 95 PHE H H 1 7.778 0.003 . 1 . . . . 95 PHE H . 18425 1 849 . 1 1 95 95 PHE HA H 1 4.142 0.02 . 1 . . . . 95 PHE HA . 18425 1 850 . 1 1 95 95 PHE HB2 H 1 3.026 0.02 . 2 . . . . 95 PHE HB2 . 18425 1 851 . 1 1 95 95 PHE C C 13 177.138 0.02 . 1 . . . . 95 PHE C . 18425 1 852 . 1 1 95 95 PHE CA C 13 60.046 0.01 . 1 . . . . 95 PHE CA . 18425 1 853 . 1 1 95 95 PHE CB C 13 38.719 0.04 . 1 . . . . 95 PHE CB . 18425 1 854 . 1 1 95 95 PHE N N 15 122.617 0.039 . 1 . . . . 95 PHE N . 18425 1 855 . 1 1 96 96 LEU H H 1 7.758 0.003 . 1 . . . . 96 LEU H . 18425 1 856 . 1 1 96 96 LEU HA H 1 3.721 0.02 . 1 . . . . 96 LEU HA . 18425 1 857 . 1 1 96 96 LEU HB2 H 1 1.517 0.002 . 2 . . . . 96 LEU HB2 . 18425 1 858 . 1 1 96 96 LEU HB3 H 1 1.171 0.001 . 2 . . . . 96 LEU HB3 . 18425 1 859 . 1 1 96 96 LEU HG H 1 1.166 0.002 . 1 . . . . 96 LEU HG . 18425 1 860 . 1 1 96 96 LEU HD11 H 1 0.479 0.02 . 2 . . . . 96 LEU HD11 . 18425 1 861 . 1 1 96 96 LEU HD12 H 1 0.479 0.02 . 2 . . . . 96 LEU HD12 . 18425 1 862 . 1 1 96 96 LEU HD13 H 1 0.479 0.02 . 2 . . . . 96 LEU HD13 . 18425 1 863 . 1 1 96 96 LEU HD21 H 1 0.457 0.02 . 2 . . . . 96 LEU HD21 . 18425 1 864 . 1 1 96 96 LEU HD22 H 1 0.457 0.02 . 2 . . . . 96 LEU HD22 . 18425 1 865 . 1 1 96 96 LEU HD23 H 1 0.457 0.02 . 2 . . . . 96 LEU HD23 . 18425 1 866 . 1 1 96 96 LEU C C 13 178.297 0.02 . 1 . . . . 96 LEU C . 18425 1 867 . 1 1 96 96 LEU CA C 13 56.272 0.019 . 1 . . . . 96 LEU CA . 18425 1 868 . 1 1 96 96 LEU CB C 13 41.879 0.024 . 1 . . . . 96 LEU CB . 18425 1 869 . 1 1 96 96 LEU CG C 13 26.35 0.02 . 1 . . . . 96 LEU CG . 18425 1 870 . 1 1 96 96 LEU CD1 C 13 25.35 0.02 . 2 . . . . 96 LEU CD1 . 18425 1 871 . 1 1 96 96 LEU CD2 C 13 22.75 0.02 . 2 . . . . 96 LEU CD2 . 18425 1 872 . 1 1 96 96 LEU N N 15 119.042 0.041 . 1 . . . . 96 LEU N . 18425 1 873 . 1 1 97 97 LYS H H 1 7.426 0.007 . 1 . . . . 97 LYS H . 18425 1 874 . 1 1 97 97 LYS HA H 1 4.014 0.02 . 1 . . . . 97 LYS HA . 18425 1 875 . 1 1 97 97 LYS HB2 H 1 1.66 0.02 . 2 . . . . 97 LYS HB2 . 18425 1 876 . 1 1 97 97 LYS HG2 H 1 1.337 0.02 . 2 . . . . 97 LYS HG2 . 18425 1 877 . 1 1 97 97 LYS HD2 H 1 1.616 0.02 . 2 . . . . 97 LYS HD2 . 18425 1 878 . 1 1 97 97 LYS HE2 H 1 2.788 0.02 . 2 . . . . 97 LYS HE2 . 18425 1 879 . 1 1 97 97 LYS C C 13 176.177 0.02 . 1 . . . . 97 LYS C . 18425 1 880 . 1 1 97 97 LYS CA C 13 56.67 0.038 . 1 . . . . 97 LYS CA . 18425 1 881 . 1 1 97 97 LYS CB C 13 32.778 0.019 . 1 . . . . 97 LYS CB . 18425 1 882 . 1 1 97 97 LYS CG C 13 25.12 0.02 . 1 . . . . 97 LYS CG . 18425 1 883 . 1 1 97 97 LYS CD C 13 28.96 0.02 . 1 . . . . 97 LYS CD . 18425 1 884 . 1 1 97 97 LYS CE C 13 42.303 0.02 . 1 . . . . 97 LYS CE . 18425 1 885 . 1 1 97 97 LYS N N 15 117.835 0.07 . 1 . . . . 97 LYS N . 18425 1 886 . 1 1 98 98 ALA H H 1 7.48 0.002 . 1 . . . . 98 ALA H . 18425 1 887 . 1 1 98 98 ALA HA H 1 4.107 0.02 . 1 . . . . 98 ALA HA . 18425 1 888 . 1 1 98 98 ALA HB1 H 1 1.18 0.02 . 1 . . . . 98 ALA HB1 . 18425 1 889 . 1 1 98 98 ALA HB2 H 1 1.18 0.02 . 1 . . . . 98 ALA HB2 . 18425 1 890 . 1 1 98 98 ALA HB3 H 1 1.18 0.02 . 1 . . . . 98 ALA HB3 . 18425 1 891 . 1 1 98 98 ALA C C 13 177.238 0.02 . 1 . . . . 98 ALA C . 18425 1 892 . 1 1 98 98 ALA CA C 13 52.338 0.025 . 1 . . . . 98 ALA CA . 18425 1 893 . 1 1 98 98 ALA CB C 13 18.97 0.033 . 1 . . . . 98 ALA CB . 18425 1 894 . 1 1 98 98 ALA N N 15 122.991 0.039 . 1 . . . . 98 ALA N . 18425 1 895 . 1 1 99 99 VAL H H 1 7.628 0.004 . 1 . . . . 99 VAL H . 18425 1 896 . 1 1 99 99 VAL HA H 1 4.156 0.02 . 1 . . . . 99 VAL HA . 18425 1 897 . 1 1 99 99 VAL HB H 1 1.866 0.02 . 1 . . . . 99 VAL HB . 18425 1 898 . 1 1 99 99 VAL HG11 H 1 0.773 0.02 . 2 . . . . 99 VAL HG11 . 18425 1 899 . 1 1 99 99 VAL HG12 H 1 0.773 0.02 . 2 . . . . 99 VAL HG12 . 18425 1 900 . 1 1 99 99 VAL HG13 H 1 0.773 0.02 . 2 . . . . 99 VAL HG13 . 18425 1 901 . 1 1 99 99 VAL HG21 H 1 0.727 0.02 . 2 . . . . 99 VAL HG21 . 18425 1 902 . 1 1 99 99 VAL HG22 H 1 0.727 0.02 . 2 . . . . 99 VAL HG22 . 18425 1 903 . 1 1 99 99 VAL HG23 H 1 0.727 0.02 . 2 . . . . 99 VAL HG23 . 18425 1 904 . 1 1 99 99 VAL C C 13 174.433 0.02 . 1 . . . . 99 VAL C . 18425 1 905 . 1 1 99 99 VAL CA C 13 60.234 0.02 . 1 . . . . 99 VAL CA . 18425 1 906 . 1 1 99 99 VAL CB C 13 32.179 0.002 . 1 . . . . 99 VAL CB . 18425 1 907 . 1 1 99 99 VAL CG1 C 13 20.64 0.02 . 2 . . . . 99 VAL CG1 . 18425 1 908 . 1 1 99 99 VAL CG2 C 13 20.328 0.02 . 2 . . . . 99 VAL CG2 . 18425 1 909 . 1 1 99 99 VAL N N 15 120.604 0.02 . 1 . . . . 99 VAL N . 18425 1 910 . 1 1 100 100 PRO HA H 1 4.284 0.012 . 1 . . . . 100 PRO HA . 18425 1 911 . 1 1 100 100 PRO HB2 H 1 2.144 0.013 . 2 . . . . 100 PRO HB2 . 18425 1 912 . 1 1 100 100 PRO HB3 H 1 1.797 0.011 . 2 . . . . 100 PRO HB3 . 18425 1 913 . 1 1 100 100 PRO HG2 H 1 1.889 0.02 . 2 . . . . 100 PRO HG2 . 18425 1 914 . 1 1 100 100 PRO HG3 H 1 1.81 0.02 . 2 . . . . 100 PRO HG3 . 18425 1 915 . 1 1 100 100 PRO HD2 H 1 3.687 0.02 . 2 . . . . 100 PRO HD2 . 18425 1 916 . 1 1 100 100 PRO HD3 H 1 3.499 0.02 . 2 . . . . 100 PRO HD3 . 18425 1 917 . 1 1 100 100 PRO C C 13 176.839 0.037 . 1 . . . . 100 PRO C . 18425 1 918 . 1 1 100 100 PRO CA C 13 63.163 0.054 . 1 . . . . 100 PRO CA . 18425 1 919 . 1 1 100 100 PRO CB C 13 32.164 0.035 . 1 . . . . 100 PRO CB . 18425 1 920 . 1 1 100 100 PRO CG C 13 27.338 0.02 . 1 . . . . 100 PRO CG . 18425 1 921 . 1 1 100 100 PRO CD C 13 51.03 0.02 . 1 . . . . 100 PRO CD . 18425 1 922 . 1 1 101 101 SER H H 1 8.261 0.002 . 1 . . . . 101 SER H . 18425 1 923 . 1 1 101 101 SER HA H 1 4.261 0.013 . 1 . . . . 101 SER HA . 18425 1 924 . 1 1 101 101 SER HB2 H 1 3.729 0.012 . 2 . . . . 101 SER HB2 . 18425 1 925 . 1 1 101 101 SER C C 13 173.652 0.035 . 1 . . . . 101 SER C . 18425 1 926 . 1 1 101 101 SER CA C 13 58.371 0.022 . 1 . . . . 101 SER CA . 18425 1 927 . 1 1 101 101 SER CB C 13 63.881 0.061 . 1 . . . . 101 SER CB . 18425 1 928 . 1 1 101 101 SER N N 15 116.495 0.047 . 1 . . . . 101 SER N . 18425 1 929 . 1 1 102 102 GLN H H 1 7.844 0.002 . 1 . . . . 102 GLN H . 18425 1 930 . 1 1 102 102 GLN HA H 1 4.044 0.002 . 1 . . . . 102 GLN HA . 18425 1 931 . 1 1 102 102 GLN HB2 H 1 1.978 0.004 . 2 . . . . 102 GLN HB2 . 18425 1 932 . 1 1 102 102 GLN HB3 H 1 1.783 0.002 . 2 . . . . 102 GLN HB3 . 18425 1 933 . 1 1 102 102 GLN HG2 H 1 2.145 0.008 . 2 . . . . 102 GLN HG2 . 18425 1 934 . 1 1 102 102 GLN C C 13 180.357 0.02 . 1 . . . . 102 GLN C . 18425 1 935 . 1 1 102 102 GLN CA C 13 57.341 0.014 . 1 . . . . 102 GLN CA . 18425 1 936 . 1 1 102 102 GLN CB C 13 30.44 0.02 . 1 . . . . 102 GLN CB . 18425 1 937 . 1 1 102 102 GLN CG C 13 34.1 0.02 . 1 . . . . 102 GLN CG . 18425 1 938 . 1 1 102 102 GLN N N 15 126.511 0.047 . 1 . . . . 102 GLN N . 18425 1 stop_ save_