data_17827 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17827 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Kindle-2 N-terminus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-03 _Entry.Accession_date 2011-08-03 _Entry.Last_release_date 2011-12-01 _Entry.Original_release_date 2011-12-01 _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 H. Perera . Dhanuja . 17827 2 Yan-Qing Ma . . . 17827 3 Jun Yang . . . 17827 4 Jamila Hirbawi . . . 17827 5 Edward Plow . F. . 17827 6 Jun Qin . . . 17827 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17827 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell adhesion' . 17827 'integrin activation' . 17827 Kindlin . 17827 membrane . 17827 NMR . 17827 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17827 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 17827 '15N chemical shifts' 103 17827 '1H chemical shifts' 581 17827 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-12-01 2011-08-03 original author . 17827 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LGX 'BMRB Entry Tracking System' 17827 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17827 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22078565 _Citation.Full_citation . _Citation.Title 'Membrane Binding of the N-Terminal Ubiquitin-Like Domain of kindlin-2 Is Crucial for Its Regulation of Integrin Activation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 11 _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 1664 _Citation.Page_last 1671 _Citation.Year 2011 _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 H. Perera . Dhanuja . 17827 1 2 Yan-Qing Ma . . . 17827 1 3 Jun Yang . . . 17827 1 4 Jamila Hirbawi . . . 17827 1 5 Edward Plow . F. . 17827 1 6 Jun Qin . . . 17827 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17827 _Assembly.ID 1 _Assembly.Name k2-n _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 k2-n 1 $k2-n A . yes native no no . . . 17827 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_k2-n _Entity.Sf_category entity _Entity.Sf_framecode k2-n _Entity.Entry_ID 17827 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMPDEFMALDGIRMPDGCY ADGTWELSVHVTDVNRDVTL RVTGEVHIGGVMLKLVEKLD VKKDWSDHALWWEKKRTWLL KTHWTLDKYGIQADAKLQFT PQHKLLRLQLPN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-7 represent a non-native cloning artifacts' _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10895.647 _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 2LGX . "Nmr Structure For Kindle-2 N-Terminus" . . . . . 100.00 112 100.00 100.00 9.62e-75 . . . . 17827 1 2 no DBJ BAC37692 . "unnamed protein product [Mus musculus]" . . . . . 93.75 149 98.10 99.05 2.86e-67 . . . . 17827 1 3 no DBJ BAE26194 . "unnamed protein product [Mus musculus]" . . . . . 93.75 680 98.10 99.05 4.57e-64 . . . . 17827 1 4 no DBJ BAE38850 . "unnamed protein product [Mus musculus]" . . . . . 93.75 680 98.10 99.05 4.76e-64 . . . . 17827 1 5 no DBJ BAF84427 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 680 99.05 100.00 2.24e-65 . . . . 17827 1 6 no EMBL CAA80852 . "mitogen inducible gene mig-2 [Homo sapiens]" . . . . . 93.75 720 98.10 100.00 7.95e-65 . . . . 17827 1 7 no EMBL CAD61925 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 633 99.05 100.00 1.19e-65 . . . . 17827 1 8 no GB AAH17327 . "Fermitin family homolog 2 (Drosophila) [Homo sapiens]" . . . . . 93.75 680 99.05 100.00 2.24e-65 . . . . 17827 1 9 no GB AAH33436 . "Fermitin family homolog 2 (Drosophila) [Mus musculus]" . . . . . 93.75 680 98.10 99.05 4.76e-64 . . . . 17827 1 10 no GB AAH83876 . "Fermitin family homolog 2 (Drosophila) [Rattus norvegicus]" . . . . . 93.75 680 98.10 100.00 8.06e-65 . . . . 17827 1 11 no GB AAI08179 . "FERMT2 protein [Bos taurus]" . . . . . 93.75 154 99.05 100.00 9.72e-69 . . . . 17827 1 12 no GB AAI51293 . "FERMT2 protein [Bos taurus]" . . . . . 93.75 680 99.05 100.00 2.10e-65 . . . . 17827 1 13 no REF NP_001011915 . "fermitin family homolog 2 [Rattus norvegicus]" . . . . . 93.75 680 98.10 100.00 8.06e-65 . . . . 17827 1 14 no REF NP_001094734 . "fermitin family homolog 2 [Bos taurus]" . . . . . 93.75 680 99.05 100.00 2.10e-65 . . . . 17827 1 15 no REF NP_001128471 . "fermitin family homolog 2 isoform 2 [Homo sapiens]" . . . . . 93.75 687 99.05 100.00 2.59e-65 . . . . 17827 1 16 no REF NP_001128472 . "fermitin family homolog 2 isoform 3 [Homo sapiens]" . . . . . 93.75 633 99.05 100.00 1.19e-65 . . . . 17827 1 17 no REF NP_001253248 . "fermitin family homolog 2 [Macaca mulatta]" . . . . . 93.75 680 99.05 100.00 2.10e-65 . . . . 17827 1 18 no SP Q8CIB5 . "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Pleckstrin homology domain-containing family C " . . . . . 93.75 680 98.10 99.05 4.76e-64 . . . . 17827 1 19 no SP Q96AC1 . "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Mitogen-inducible gene 2 protein; Short=MIG-2; " . . . . . 93.75 680 99.05 100.00 2.24e-65 . . . . 17827 1 20 no TPG DAA25234 . "TPA: fermitin family homolog 2 [Bos taurus]" . . . . . 93.75 680 99.05 100.00 2.10e-65 . . . . 17827 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 -6 GLY . 17827 1 2 -5 ALA . 17827 1 3 -4 MET . 17827 1 4 -3 PRO . 17827 1 5 -2 ASP . 17827 1 6 -1 GLU . 17827 1 7 0 PHE . 17827 1 8 1 MET . 17827 1 9 2 ALA . 17827 1 10 3 LEU . 17827 1 11 4 ASP . 17827 1 12 5 GLY . 17827 1 13 6 ILE . 17827 1 14 7 ARG . 17827 1 15 8 MET . 17827 1 16 9 PRO . 17827 1 17 10 ASP . 17827 1 18 11 GLY . 17827 1 19 12 CYS . 17827 1 20 13 TYR . 17827 1 21 14 ALA . 17827 1 22 15 ASP . 17827 1 23 16 GLY . 17827 1 24 17 THR . 17827 1 25 18 TRP . 17827 1 26 19 GLU . 17827 1 27 20 LEU . 17827 1 28 21 SER . 17827 1 29 22 VAL . 17827 1 30 23 HIS . 17827 1 31 24 VAL . 17827 1 32 25 THR . 17827 1 33 26 ASP . 17827 1 34 27 VAL . 17827 1 35 28 ASN . 17827 1 36 29 ARG . 17827 1 37 30 ASP . 17827 1 38 31 VAL . 17827 1 39 32 THR . 17827 1 40 33 LEU . 17827 1 41 34 ARG . 17827 1 42 35 VAL . 17827 1 43 36 THR . 17827 1 44 37 GLY . 17827 1 45 38 GLU . 17827 1 46 39 VAL . 17827 1 47 40 HIS . 17827 1 48 41 ILE . 17827 1 49 42 GLY . 17827 1 50 43 GLY . 17827 1 51 44 VAL . 17827 1 52 45 MET . 17827 1 53 46 LEU . 17827 1 54 47 LYS . 17827 1 55 48 LEU . 17827 1 56 49 VAL . 17827 1 57 50 GLU . 17827 1 58 51 LYS . 17827 1 59 52 LEU . 17827 1 60 53 ASP . 17827 1 61 54 VAL . 17827 1 62 55 LYS . 17827 1 63 56 LYS . 17827 1 64 57 ASP . 17827 1 65 58 TRP . 17827 1 66 59 SER . 17827 1 67 60 ASP . 17827 1 68 61 HIS . 17827 1 69 62 ALA . 17827 1 70 63 LEU . 17827 1 71 64 TRP . 17827 1 72 65 TRP . 17827 1 73 66 GLU . 17827 1 74 67 LYS . 17827 1 75 68 LYS . 17827 1 76 69 ARG . 17827 1 77 70 THR . 17827 1 78 71 TRP . 17827 1 79 72 LEU . 17827 1 80 73 LEU . 17827 1 81 74 LYS . 17827 1 82 75 THR . 17827 1 83 76 HIS . 17827 1 84 77 TRP . 17827 1 85 78 THR . 17827 1 86 79 LEU . 17827 1 87 80 ASP . 17827 1 88 81 LYS . 17827 1 89 82 TYR . 17827 1 90 83 GLY . 17827 1 91 84 ILE . 17827 1 92 85 GLN . 17827 1 93 86 ALA . 17827 1 94 87 ASP . 17827 1 95 88 ALA . 17827 1 96 89 LYS . 17827 1 97 90 LEU . 17827 1 98 91 GLN . 17827 1 99 92 PHE . 17827 1 100 93 THR . 17827 1 101 94 PRO . 17827 1 102 95 GLN . 17827 1 103 96 HIS . 17827 1 104 97 LYS . 17827 1 105 98 LEU . 17827 1 106 99 LEU . 17827 1 107 100 ARG . 17827 1 108 101 LEU . 17827 1 109 102 GLN . 17827 1 110 103 LEU . 17827 1 111 104 PRO . 17827 1 112 105 ASN . 17827 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17827 1 . ALA 2 2 17827 1 . MET 3 3 17827 1 . PRO 4 4 17827 1 . ASP 5 5 17827 1 . GLU 6 6 17827 1 . PHE 7 7 17827 1 . MET 8 8 17827 1 . ALA 9 9 17827 1 . LEU 10 10 17827 1 . ASP 11 11 17827 1 . GLY 12 12 17827 1 . ILE 13 13 17827 1 . ARG 14 14 17827 1 . MET 15 15 17827 1 . PRO 16 16 17827 1 . ASP 17 17 17827 1 . GLY 18 18 17827 1 . CYS 19 19 17827 1 . TYR 20 20 17827 1 . ALA 21 21 17827 1 . ASP 22 22 17827 1 . GLY 23 23 17827 1 . THR 24 24 17827 1 . TRP 25 25 17827 1 . GLU 26 26 17827 1 . LEU 27 27 17827 1 . SER 28 28 17827 1 . VAL 29 29 17827 1 . HIS 30 30 17827 1 . VAL 31 31 17827 1 . THR 32 32 17827 1 . ASP 33 33 17827 1 . VAL 34 34 17827 1 . ASN 35 35 17827 1 . ARG 36 36 17827 1 . ASP 37 37 17827 1 . VAL 38 38 17827 1 . THR 39 39 17827 1 . LEU 40 40 17827 1 . ARG 41 41 17827 1 . VAL 42 42 17827 1 . THR 43 43 17827 1 . GLY 44 44 17827 1 . GLU 45 45 17827 1 . VAL 46 46 17827 1 . HIS 47 47 17827 1 . ILE 48 48 17827 1 . GLY 49 49 17827 1 . GLY 50 50 17827 1 . VAL 51 51 17827 1 . MET 52 52 17827 1 . LEU 53 53 17827 1 . LYS 54 54 17827 1 . LEU 55 55 17827 1 . VAL 56 56 17827 1 . GLU 57 57 17827 1 . LYS 58 58 17827 1 . LEU 59 59 17827 1 . ASP 60 60 17827 1 . VAL 61 61 17827 1 . LYS 62 62 17827 1 . LYS 63 63 17827 1 . ASP 64 64 17827 1 . TRP 65 65 17827 1 . SER 66 66 17827 1 . ASP 67 67 17827 1 . HIS 68 68 17827 1 . ALA 69 69 17827 1 . LEU 70 70 17827 1 . TRP 71 71 17827 1 . TRP 72 72 17827 1 . GLU 73 73 17827 1 . LYS 74 74 17827 1 . LYS 75 75 17827 1 . ARG 76 76 17827 1 . THR 77 77 17827 1 . TRP 78 78 17827 1 . LEU 79 79 17827 1 . LEU 80 80 17827 1 . LYS 81 81 17827 1 . THR 82 82 17827 1 . HIS 83 83 17827 1 . TRP 84 84 17827 1 . THR 85 85 17827 1 . LEU 86 86 17827 1 . ASP 87 87 17827 1 . LYS 88 88 17827 1 . TYR 89 89 17827 1 . GLY 90 90 17827 1 . ILE 91 91 17827 1 . GLN 92 92 17827 1 . ALA 93 93 17827 1 . ASP 94 94 17827 1 . ALA 95 95 17827 1 . LYS 96 96 17827 1 . LEU 97 97 17827 1 . GLN 98 98 17827 1 . PHE 99 99 17827 1 . THR 100 100 17827 1 . PRO 101 101 17827 1 . GLN 102 102 17827 1 . HIS 103 103 17827 1 . LYS 104 104 17827 1 . LEU 105 105 17827 1 . LEU 106 106 17827 1 . ARG 107 107 17827 1 . LEU 108 108 17827 1 . GLN 109 109 17827 1 . LEU 110 110 17827 1 . PRO 111 111 17827 1 . ASN 112 112 17827 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17827 _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 $k2-n . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17827 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 17827 _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 $k2-n . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGST-1 . . . . . . 17827 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17827 _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 k2-n '[U-100% 13C; U-100% 15N]' . . 1 $k2-n . . 1 . . mM . . . . 17827 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17827 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17827 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17827 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17827 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17827 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17827 _Sample.ID 2 _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 k2-n 'natural abundance' . . 1 $k2-n . . 1 . . mM . . . . 17827 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17827 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17827 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17827 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17827 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17827 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17827 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 k2-n '[U-100% 15N]' . . 1 $k2-n . . 0.1 . . mM . . . . 17827 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17827 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17827 3 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 17827 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17827 3 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 17827 _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' 0.1 . M 17827 1 pH 6.8 . pH 17827 1 pressure 1 . atm 17827 1 temperature 298 . K 17827 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17827 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17827 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17827 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 17827 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 17827 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17827 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17827 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17827 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17827 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17827 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17827 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17827 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17827 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17827 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17827 5 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 17827 _Software.ID 6 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 17827 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17827 6 stop_ save_ save_PASA _Software.Sf_category software _Software.Sf_framecode PASA _Software.Entry_ID 17827 _Software.ID 7 _Software.Name PASA _Software.Version . _Software.Details 'Xu, Y, Wang, X., Yang, J., Vaynberg, J., Qin, J. (2006). J Biomol NMR. 34, 41-56.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Xu, Wang, Yang, Vaynberg, Xu, and Qin' 'Dept. of Cardiology, Lerner Research Institute, The Cleveland Clinic Foundation, 9500 Euclid Ave., Cleveland, OH 44195' qinj@ccf.org 17827 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17827 7 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 17827 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17827 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17827 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17827 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17827 1 2 spectrometer_2 Bruker Avance . 800 . . . 17827 1 3 spectrometer_3 Bruker Avance . 900 . . . 17827 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 17827 _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 . . . . . . . . . . . . . . . . . . . . . 17827 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 8 '3D C(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 10 '3D 13C-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17827 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 17827 _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 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 17827 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 17827 _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 3 '3D CBCA(CO)NH' . . . 17827 1 4 '3D HNCACB' . . . 17827 1 5 '3D HNCO' . . . 17827 1 6 '3D HNCA' . . . 17827 1 7 '3D H(CCO)NH' . . . 17827 1 8 '3D C(CCO)NH' . . . 17827 1 9 '3D HCCH-TOCSY' . . . 17827 1 10 '3D 13C-15N NOESY' . . . 17827 1 11 '2D 1H-1H TOCSY' . . . 17827 1 12 '2D 1H-1H NOESY' . . . 17827 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 MET H H 1 7.950 0.03 . 1 . . . A 1 MET H . 17827 1 2 . 1 1 8 8 MET HA H 1 4.280 0.03 . 1 . . . A 1 MET HA . 17827 1 3 . 1 1 8 8 MET HB2 H 1 1.950 0.03 . 1 . . . A 1 MET HB2 . 17827 1 4 . 1 1 8 8 MET HB3 H 1 1.860 0.03 . 1 . . . A 1 MET HB3 . 17827 1 5 . 1 1 8 8 MET HG2 H 1 2.430 0.03 . 1 . . . A 1 MET HG2 . 17827 1 6 . 1 1 8 8 MET HG3 H 1 2.370 0.03 . 1 . . . A 1 MET HG3 . 17827 1 7 . 1 1 8 8 MET C C 13 175.284 0.50 . 1 . . . A 1 MET C . 17827 1 8 . 1 1 8 8 MET CA C 13 55.330 0.50 . 1 . . . A 1 MET CA . 17827 1 9 . 1 1 8 8 MET CB C 13 32.780 0.50 . 1 . . . A 1 MET CB . 17827 1 10 . 1 1 8 8 MET CG C 13 31.750 0.50 . 1 . . . A 1 MET CG . 17827 1 11 . 1 1 8 8 MET N N 15 121.498 0.25 . 1 . . . A 1 MET N . 17827 1 12 . 1 1 9 9 ALA H H 1 8.018 0.03 . 1 . . . A 2 ALA H . 17827 1 13 . 1 1 9 9 ALA HA H 1 4.210 0.03 . 1 . . . A 2 ALA HA . 17827 1 14 . 1 1 9 9 ALA HB1 H 1 1.320 0.03 . 1 . . . A 2 ALA HB1 . 17827 1 15 . 1 1 9 9 ALA HB2 H 1 1.320 0.03 . 1 . . . A 2 ALA HB2 . 17827 1 16 . 1 1 9 9 ALA HB3 H 1 1.320 0.03 . 1 . . . A 2 ALA HB3 . 17827 1 17 . 1 1 9 9 ALA C C 13 177.598 0.50 . 1 . . . A 2 ALA C . 17827 1 18 . 1 1 9 9 ALA CA C 13 52.440 0.50 . 1 . . . A 2 ALA CA . 17827 1 19 . 1 1 9 9 ALA CB C 13 19.030 0.50 . 1 . . . A 2 ALA CB . 17827 1 20 . 1 1 9 9 ALA N N 15 124.336 0.25 . 1 . . . A 2 ALA N . 17827 1 21 . 1 1 10 10 LEU H H 1 8.057 0.03 . 1 . . . A 3 LEU H . 17827 1 22 . 1 1 10 10 LEU HA H 1 4.210 0.03 . 1 . . . A 3 LEU HA . 17827 1 23 . 1 1 10 10 LEU HB2 H 1 1.580 0.03 . 1 . . . A 3 LEU HB2 . 17827 1 24 . 1 1 10 10 LEU HB3 H 1 1.510 0.03 . 1 . . . A 3 LEU HB3 . 17827 1 25 . 1 1 10 10 LEU HG H 1 1.445 0.03 . 1 . . . A 3 LEU HG . 17827 1 26 . 1 1 10 10 LEU HD11 H 1 0.850 0.03 . 1 . . . A 3 LEU HD11 . 17827 1 27 . 1 1 10 10 LEU HD12 H 1 0.850 0.03 . 1 . . . A 3 LEU HD12 . 17827 1 28 . 1 1 10 10 LEU HD13 H 1 0.850 0.03 . 1 . . . A 3 LEU HD13 . 17827 1 29 . 1 1 10 10 LEU HD21 H 1 0.780 0.03 . 1 . . . A 3 LEU HD21 . 17827 1 30 . 1 1 10 10 LEU HD22 H 1 0.780 0.03 . 1 . . . A 3 LEU HD22 . 17827 1 31 . 1 1 10 10 LEU HD23 H 1 0.780 0.03 . 1 . . . A 3 LEU HD23 . 17827 1 32 . 1 1 10 10 LEU C C 13 177.094 0.50 . 1 . . . A 3 LEU C . 17827 1 33 . 1 1 10 10 LEU CA C 13 55.320 0.50 . 1 . . . A 3 LEU CA . 17827 1 34 . 1 1 10 10 LEU CB C 13 42.170 0.50 . 1 . . . A 3 LEU CB . 17827 1 35 . 1 1 10 10 LEU CG C 13 26.720 0.50 . 1 . . . A 3 LEU CG . 17827 1 36 . 1 1 10 10 LEU CD1 C 13 24.480 0.50 . 1 . . . A 3 LEU CD1 . 17827 1 37 . 1 1 10 10 LEU CD2 C 13 23.480 0.50 . 1 . . . A 3 LEU CD2 . 17827 1 38 . 1 1 10 10 LEU N N 15 121.125 0.25 . 1 . . . A 3 LEU N . 17827 1 39 . 1 1 11 11 ASP H H 1 8.145 0.03 . 1 . . . A 4 ASP H . 17827 1 40 . 1 1 11 11 ASP HA H 1 4.475 0.03 . 1 . . . A 4 ASP HA . 17827 1 41 . 1 1 11 11 ASP HB2 H 1 2.590 0.03 . 1 . . . A 4 ASP HB2 . 17827 1 42 . 1 1 11 11 ASP C C 13 176.509 0.50 . 1 . . . A 4 ASP C . 17827 1 43 . 1 1 11 11 ASP CA C 13 54.550 0.50 . 1 . . . A 4 ASP CA . 17827 1 44 . 1 1 11 11 ASP CB C 13 40.950 0.50 . 1 . . . A 4 ASP CB . 17827 1 45 . 1 1 11 11 ASP N N 15 119.766 0.25 . 1 . . . A 4 ASP N . 17827 1 46 . 1 1 12 12 GLY H H 1 8.110 0.03 . 1 . . . A 5 GLY H . 17827 1 47 . 1 1 12 12 GLY HA2 H 1 3.870 0.03 . 1 . . . A 5 GLY HA2 . 17827 1 48 . 1 1 12 12 GLY C C 13 173.692 0.50 . 1 . . . A 5 GLY C . 17827 1 49 . 1 1 12 12 GLY CA C 13 45.310 0.50 . 1 . . . A 5 GLY CA . 17827 1 50 . 1 1 12 12 GLY N N 15 108.440 0.25 . 1 . . . A 5 GLY N . 17827 1 51 . 1 1 13 13 ILE H H 1 7.790 0.03 . 1 . . . A 6 ILE H . 17827 1 52 . 1 1 13 13 ILE HA H 1 4.100 0.03 . 1 . . . A 6 ILE HA . 17827 1 53 . 1 1 13 13 ILE HB H 1 1.810 0.03 . 1 . . . A 6 ILE HB . 17827 1 54 . 1 1 13 13 ILE HG12 H 1 1.380 0.03 . 1 . . . A 6 ILE HG12 . 17827 1 55 . 1 1 13 13 ILE HG13 H 1 1.090 0.03 . 1 . . . A 6 ILE HG13 . 17827 1 56 . 1 1 13 13 ILE HG21 H 1 0.820 0.03 . 1 . . . A 6 ILE HG21 . 17827 1 57 . 1 1 13 13 ILE HG22 H 1 0.820 0.03 . 1 . . . A 6 ILE HG22 . 17827 1 58 . 1 1 13 13 ILE HG23 H 1 0.820 0.03 . 1 . . . A 6 ILE HG23 . 17827 1 59 . 1 1 13 13 ILE HD11 H 1 0.770 0.03 . 1 . . . A 6 ILE HD11 . 17827 1 60 . 1 1 13 13 ILE HD12 H 1 0.770 0.03 . 1 . . . A 6 ILE HD12 . 17827 1 61 . 1 1 13 13 ILE HD13 H 1 0.770 0.03 . 1 . . . A 6 ILE HD13 . 17827 1 62 . 1 1 13 13 ILE C C 13 175.525 0.50 . 1 . . . A 6 ILE C . 17827 1 63 . 1 1 13 13 ILE CA C 13 60.710 0.50 . 1 . . . A 6 ILE CA . 17827 1 64 . 1 1 13 13 ILE CB C 13 38.430 0.50 . 1 . . . A 6 ILE CB . 17827 1 65 . 1 1 13 13 ILE CG1 C 13 26.900 0.50 . 1 . . . A 6 ILE CG1 . 17827 1 66 . 1 1 13 13 ILE CG2 C 13 17.330 0.50 . 1 . . . A 6 ILE CG2 . 17827 1 67 . 1 1 13 13 ILE CD1 C 13 13.140 0.50 . 1 . . . A 6 ILE CD1 . 17827 1 68 . 1 1 13 13 ILE N N 15 119.766 0.25 . 1 . . . A 6 ILE N . 17827 1 69 . 1 1 14 14 ARG H H 1 8.410 0.03 . 1 . . . A 7 ARG H . 17827 1 70 . 1 1 14 14 ARG HA H 1 4.210 0.03 . 1 . . . A 7 ARG HA . 17827 1 71 . 1 1 14 14 ARG HB2 H 1 1.580 0.03 . 1 . . . A 7 ARG HB2 . 17827 1 72 . 1 1 14 14 ARG HB3 H 1 1.650 0.03 . 1 . . . A 7 ARG HB3 . 17827 1 73 . 1 1 14 14 ARG HG2 H 1 1.380 0.03 . 1 . . . A 7 ARG HG2 . 17827 1 74 . 1 1 14 14 ARG HD2 H 1 2.987 0.03 . 1 . . . A 7 ARG HD2 . 17827 1 75 . 1 1 14 14 ARG C C 13 175.810 0.50 . 1 . . . A 7 ARG C . 17827 1 76 . 1 1 14 14 ARG CA C 13 55.640 0.50 . 1 . . . A 7 ARG CA . 17827 1 77 . 1 1 14 14 ARG CB C 13 30.990 0.50 . 1 . . . A 7 ARG CB . 17827 1 78 . 1 1 14 14 ARG CG C 13 26.810 0.50 . 1 . . . A 7 ARG CG . 17827 1 79 . 1 1 14 14 ARG CD C 13 43.000 0.50 . 1 . . . A 7 ARG CD . 17827 1 80 . 1 1 14 14 ARG N N 15 125.657 0.25 . 1 . . . A 7 ARG N . 17827 1 81 . 1 1 15 15 MET H H 1 8.495 0.03 . 1 . . . A 8 MET H . 17827 1 82 . 1 1 15 15 MET HA H 1 4.210 0.03 . 1 . . . A 8 MET HA . 17827 1 83 . 1 1 15 15 MET HB2 H 1 1.990 0.03 . 1 . . . A 8 MET HB2 . 17827 1 84 . 1 1 15 15 MET HG2 H 1 2.580 0.03 . 1 . . . A 8 MET HG2 . 17827 1 85 . 1 1 15 15 MET HG3 H 1 2.440 0.03 . 1 . . . A 8 MET HG3 . 17827 1 86 . 1 1 15 15 MET C C 13 174.950 0.50 . 1 . . . A 8 MET C . 17827 1 87 . 1 1 15 15 MET CA C 13 55.330 0.50 . 1 . . . A 8 MET CA . 17827 1 88 . 1 1 15 15 MET CB C 13 31.730 0.50 . 1 . . . A 8 MET CB . 17827 1 89 . 1 1 15 15 MET CG C 13 32.160 0.50 . 1 . . . A 8 MET CG . 17827 1 90 . 1 1 15 15 MET N N 15 123.598 0.25 . 1 . . . A 8 MET N . 17827 1 91 . 1 1 16 16 PRO HA H 1 4.290 0.03 . 1 . . . A 9 PRO HA . 17827 1 92 . 1 1 16 16 PRO HB2 H 1 2.210 0.03 . 1 . . . A 9 PRO HB2 . 17827 1 93 . 1 1 16 16 PRO HB3 H 1 1.810 0.03 . 1 . . . A 9 PRO HB3 . 17827 1 94 . 1 1 16 16 PRO HG2 H 1 1.950 0.03 . 1 . . . A 9 PRO HG2 . 17827 1 95 . 1 1 16 16 PRO HD2 H 1 3.750 0.03 . 1 . . . A 9 PRO HD2 . 17827 1 96 . 1 1 16 16 PRO C C 13 176.228 0.50 . 1 . . . A 9 PRO C . 17827 1 97 . 1 1 16 16 PRO CA C 13 63.370 0.50 . 1 . . . A 9 PRO CA . 17827 1 98 . 1 1 16 16 PRO CB C 13 31.820 0.50 . 1 . . . A 9 PRO CB . 17827 1 99 . 1 1 16 16 PRO CG C 13 27.270 0.50 . 1 . . . A 9 PRO CG . 17827 1 100 . 1 1 16 16 PRO CD C 13 50.300 0.50 . 1 . . . A 9 PRO CD . 17827 1 101 . 1 1 17 17 ASP H H 1 8.076 0.03 . 1 . . . A 10 ASP H . 17827 1 102 . 1 1 17 17 ASP HA H 1 4.420 0.03 . 1 . . . A 10 ASP HA . 17827 1 103 . 1 1 17 17 ASP HB2 H 1 2.680 0.03 . 1 . . . A 10 ASP HB2 . 17827 1 104 . 1 1 17 17 ASP C C 13 176.714 0.50 . 1 . . . A 10 ASP C . 17827 1 105 . 1 1 17 17 ASP CA C 13 54.130 0.50 . 1 . . . A 10 ASP CA . 17827 1 106 . 1 1 17 17 ASP CB C 13 40.430 0.50 . 1 . . . A 10 ASP CB . 17827 1 107 . 1 1 17 17 ASP N N 15 117.952 0.25 . 1 . . . A 10 ASP N . 17827 1 108 . 1 1 18 18 GLY H H 1 8.255 0.03 . 1 . . . A 11 GLY H . 17827 1 109 . 1 1 18 18 GLY HA2 H 1 4.005 0.03 . 1 . . . A 11 GLY HA2 . 17827 1 110 . 1 1 18 18 GLY HA3 H 1 3.670 0.03 . 1 . . . A 11 GLY HA3 . 17827 1 111 . 1 1 18 18 GLY C C 13 173.819 0.50 . 1 . . . A 11 GLY C . 17827 1 112 . 1 1 18 18 GLY CA C 13 45.300 0.50 . 1 . . . A 11 GLY CA . 17827 1 113 . 1 1 18 18 GLY N N 15 108.663 0.25 . 1 . . . A 11 GLY N . 17827 1 114 . 1 1 19 19 CYS H H 1 7.850 0.03 . 1 . . . A 12 CYS H . 17827 1 115 . 1 1 19 19 CYS HA H 1 4.550 0.03 . 1 . . . A 12 CYS HA . 17827 1 116 . 1 1 19 19 CYS HB2 H 1 2.850 0.03 . 1 . . . A 12 CYS HB2 . 17827 1 117 . 1 1 19 19 CYS C C 13 174.073 0.50 . 1 . . . A 12 CYS C . 17827 1 118 . 1 1 19 19 CYS CA C 13 58.420 0.50 . 1 . . . A 12 CYS CA . 17827 1 119 . 1 1 19 19 CYS CB C 13 28.400 0.50 . 1 . . . A 12 CYS CB . 17827 1 120 . 1 1 19 19 CYS N N 15 118.179 0.25 . 1 . . . A 12 CYS N . 17827 1 121 . 1 1 20 20 TYR H H 1 8.550 0.03 . 1 . . . A 13 TYR H . 17827 1 122 . 1 1 20 20 TYR HA H 1 4.550 0.03 . 1 . . . A 13 TYR HA . 17827 1 123 . 1 1 20 20 TYR HB2 H 1 3.050 0.03 . 1 . . . A 13 TYR HB2 . 17827 1 124 . 1 1 20 20 TYR HB3 H 1 2.890 0.03 . 1 . . . A 13 TYR HB3 . 17827 1 125 . 1 1 20 20 TYR C C 13 176.748 0.50 . 1 . . . A 13 TYR C . 17827 1 126 . 1 1 20 20 TYR CA C 13 58.470 0.50 . 1 . . . A 13 TYR CA . 17827 1 127 . 1 1 20 20 TYR CB C 13 39.210 0.50 . 1 . . . A 13 TYR CB . 17827 1 128 . 1 1 20 20 TYR N N 15 120.897 0.25 . 1 . . . A 13 TYR N . 17827 1 129 . 1 1 21 21 ALA H H 1 8.615 0.03 . 1 . . . A 14 ALA H . 17827 1 130 . 1 1 21 21 ALA HA H 1 4.190 0.03 . 1 . . . A 14 ALA HA . 17827 1 131 . 1 1 21 21 ALA HB1 H 1 1.380 0.03 . 1 . . . A 14 ALA HB1 . 17827 1 132 . 1 1 21 21 ALA HB2 H 1 1.380 0.03 . 1 . . . A 14 ALA HB2 . 17827 1 133 . 1 1 21 21 ALA HB3 H 1 1.380 0.03 . 1 . . . A 14 ALA HB3 . 17827 1 134 . 1 1 21 21 ALA C C 13 177.181 0.50 . 1 . . . A 14 ALA C . 17827 1 135 . 1 1 21 21 ALA CA C 13 53.530 0.50 . 1 . . . A 14 ALA CA . 17827 1 136 . 1 1 21 21 ALA CB C 13 18.630 0.50 . 1 . . . A 14 ALA CB . 17827 1 137 . 1 1 21 21 ALA N N 15 124.750 0.25 . 1 . . . A 14 ALA N . 17827 1 138 . 1 1 22 22 ASP H H 1 7.960 0.03 . 1 . . . A 15 ASP H . 17827 1 139 . 1 1 22 22 ASP HA H 1 4.480 0.03 . 1 . . . A 15 ASP HA . 17827 1 140 . 1 1 22 22 ASP HB2 H 1 2.870 0.03 . 1 . . . A 15 ASP HB2 . 17827 1 141 . 1 1 22 22 ASP HB3 H 1 2.580 0.03 . 1 . . . A 15 ASP HB3 . 17827 1 142 . 1 1 22 22 ASP C C 13 176.708 0.50 . 1 . . . A 15 ASP C . 17827 1 143 . 1 1 22 22 ASP CA C 13 53.500 0.50 . 1 . . . A 15 ASP CA . 17827 1 144 . 1 1 22 22 ASP CB C 13 40.730 0.50 . 1 . . . A 15 ASP CB . 17827 1 145 . 1 1 22 22 ASP N N 15 117.500 0.25 . 1 . . . A 15 ASP N . 17827 1 146 . 1 1 23 23 GLY H H 1 8.344 0.03 . 1 . . . A 16 GLY H . 17827 1 147 . 1 1 23 23 GLY HA2 H 1 4.200 0.03 . 1 . . . A 16 GLY HA2 . 17827 1 148 . 1 1 23 23 GLY HA3 H 1 3.870 0.03 . 1 . . . A 16 GLY HA3 . 17827 1 149 . 1 1 23 23 GLY C C 13 174.373 0.50 . 1 . . . A 16 GLY C . 17827 1 150 . 1 1 23 23 GLY CA C 13 45.370 0.50 . 1 . . . A 16 GLY CA . 17827 1 151 . 1 1 23 23 GLY N N 15 108.891 0.25 . 1 . . . A 16 GLY N . 17827 1 152 . 1 1 24 24 THR H H 1 7.850 0.03 . 1 . . . A 17 THR H . 17827 1 153 . 1 1 24 24 THR HA H 1 4.640 0.03 . 1 . . . A 17 THR HA . 17827 1 154 . 1 1 24 24 THR HB H 1 3.945 0.03 . 1 . . . A 17 THR HB . 17827 1 155 . 1 1 24 24 THR HG21 H 1 0.880 0.03 . 1 . . . A 17 THR HG21 . 17827 1 156 . 1 1 24 24 THR HG22 H 1 0.880 0.03 . 1 . . . A 17 THR HG22 . 17827 1 157 . 1 1 24 24 THR HG23 H 1 0.880 0.03 . 1 . . . A 17 THR HG23 . 17827 1 158 . 1 1 24 24 THR C C 13 173.620 0.50 . 1 . . . A 17 THR C . 17827 1 159 . 1 1 24 24 THR CA C 13 60.540 0.50 . 1 . . . A 17 THR CA . 17827 1 160 . 1 1 24 24 THR CB C 13 72.100 0.50 . 1 . . . A 17 THR CB . 17827 1 161 . 1 1 24 24 THR CG2 C 13 21.300 0.50 . 1 . . . A 17 THR CG2 . 17827 1 162 . 1 1 24 24 THR N N 15 110.929 0.25 . 1 . . . A 17 THR N . 17827 1 163 . 1 1 25 25 TRP H H 1 8.640 0.03 . 1 . . . A 18 TRP H . 17827 1 164 . 1 1 25 25 TRP HA H 1 4.945 0.03 . 1 . . . A 18 TRP HA . 17827 1 165 . 1 1 25 25 TRP HB2 H 1 3.400 0.03 . 1 . . . A 18 TRP HB2 . 17827 1 166 . 1 1 25 25 TRP HB3 H 1 3.275 0.03 . 1 . . . A 18 TRP HB3 . 17827 1 167 . 1 1 25 25 TRP HD1 H 1 7.214 0.03 . 1 . . . A 18 TRP HD1 . 17827 1 168 . 1 1 25 25 TRP HE1 H 1 9.800 0.03 . 1 . . . A 18 TRP HE1 . 17827 1 169 . 1 1 25 25 TRP HZ2 H 1 7.018 0.03 . 1 . . . A 18 TRP HZ2 . 17827 1 170 . 1 1 25 25 TRP C C 13 174.164 0.50 . 1 . . . A 18 TRP C . 17827 1 171 . 1 1 25 25 TRP CA C 13 54.620 0.50 . 1 . . . A 18 TRP CA . 17827 1 172 . 1 1 25 25 TRP CB C 13 30.650 0.50 . 1 . . . A 18 TRP CB . 17827 1 173 . 1 1 25 25 TRP N N 15 117.728 0.25 . 1 . . . A 18 TRP N . 17827 1 174 . 1 1 25 25 TRP NE1 N 15 128.375 0.25 . 1 . . . A 18 TRP NE1 . 17827 1 175 . 1 1 26 26 GLU H H 1 8.744 0.03 . 1 . . . A 19 GLU H . 17827 1 176 . 1 1 26 26 GLU HA H 1 4.851 0.03 . 1 . . . A 19 GLU HA . 17827 1 177 . 1 1 26 26 GLU HB2 H 1 1.990 0.03 . 1 . . . A 19 GLU HB2 . 17827 1 178 . 1 1 26 26 GLU HB3 H 1 1.770 0.03 . 1 . . . A 19 GLU HB3 . 17827 1 179 . 1 1 26 26 GLU HG2 H 1 2.280 0.03 . 1 . . . A 19 GLU HG2 . 17827 1 180 . 1 1 26 26 GLU HG3 H 1 1.935 0.03 . 1 . . . A 19 GLU HG3 . 17827 1 181 . 1 1 26 26 GLU C C 13 174.786 0.50 . 1 . . . A 19 GLU C . 17827 1 182 . 1 1 26 26 GLU CA C 13 55.710 0.50 . 1 . . . A 19 GLU CA . 17827 1 183 . 1 1 26 26 GLU CB C 13 31.500 0.50 . 1 . . . A 19 GLU CB . 17827 1 184 . 1 1 26 26 GLU CG C 13 37.530 0.50 . 1 . . . A 19 GLU CG . 17827 1 185 . 1 1 26 26 GLU N N 15 117.728 0.25 . 1 . . . A 19 GLU N . 17827 1 186 . 1 1 27 27 LEU H H 1 8.980 0.03 . 1 . . . A 20 LEU H . 17827 1 187 . 1 1 27 27 LEU HA H 1 4.880 0.03 . 1 . . . A 20 LEU HA . 17827 1 188 . 1 1 27 27 LEU HB2 H 1 1.527 0.03 . 1 . . . A 20 LEU HB2 . 17827 1 189 . 1 1 27 27 LEU HB3 H 1 1.370 0.03 . 1 . . . A 20 LEU HB3 . 17827 1 190 . 1 1 27 27 LEU HG H 1 1.230 0.03 . 1 . . . A 20 LEU HG . 17827 1 191 . 1 1 27 27 LEU HD11 H 1 0.800 0.03 . 1 . . . A 20 LEU HD11 . 17827 1 192 . 1 1 27 27 LEU HD12 H 1 0.800 0.03 . 1 . . . A 20 LEU HD12 . 17827 1 193 . 1 1 27 27 LEU HD13 H 1 0.800 0.03 . 1 . . . A 20 LEU HD13 . 17827 1 194 . 1 1 27 27 LEU HD21 H 1 0.540 0.03 . 1 . . . A 20 LEU HD21 . 17827 1 195 . 1 1 27 27 LEU HD22 H 1 0.540 0.03 . 1 . . . A 20 LEU HD22 . 17827 1 196 . 1 1 27 27 LEU HD23 H 1 0.540 0.03 . 1 . . . A 20 LEU HD23 . 17827 1 197 . 1 1 27 27 LEU C C 13 175.123 0.50 . 1 . . . A 20 LEU C . 17827 1 198 . 1 1 27 27 LEU CA C 13 53.252 0.50 . 1 . . . A 20 LEU CA . 17827 1 199 . 1 1 27 27 LEU CB C 13 45.280 0.50 . 1 . . . A 20 LEU CB . 17827 1 200 . 1 1 27 27 LEU CG C 13 26.970 0.50 . 1 . . . A 20 LEU CG . 17827 1 201 . 1 1 27 27 LEU CD1 C 13 23.710 0.50 . 1 . . . A 20 LEU CD1 . 17827 1 202 . 1 1 27 27 LEU CD2 C 13 26.690 0.50 . 1 . . . A 20 LEU CD2 . 17827 1 203 . 1 1 27 27 LEU N N 15 126.668 0.25 . 1 . . . A 20 LEU N . 17827 1 204 . 1 1 28 28 SER H H 1 8.785 0.03 . 1 . . . A 21 SER H . 17827 1 205 . 1 1 28 28 SER HA H 1 4.894 0.03 . 1 . . . A 21 SER HA . 17827 1 206 . 1 1 28 28 SER HB2 H 1 3.790 0.03 . 1 . . . A 21 SER HB2 . 17827 1 207 . 1 1 28 28 SER C C 13 173.483 0.50 . 1 . . . A 21 SER C . 17827 1 208 . 1 1 28 28 SER CA C 13 57.880 0.50 . 1 . . . A 21 SER CA . 17827 1 209 . 1 1 28 28 SER CB C 13 63.920 0.50 . 1 . . . A 21 SER CB . 17827 1 210 . 1 1 28 28 SER N N 15 121.804 0.25 . 1 . . . A 21 SER N . 17827 1 211 . 1 1 29 29 VAL H H 1 8.865 0.03 . 1 . . . A 22 VAL H . 17827 1 212 . 1 1 29 29 VAL HA H 1 4.370 0.03 . 1 . . . A 22 VAL HA . 17827 1 213 . 1 1 29 29 VAL HB H 1 1.720 0.03 . 1 . . . A 22 VAL HB . 17827 1 214 . 1 1 29 29 VAL HG11 H 1 0.650 0.03 . 1 . . . A 22 VAL HG11 . 17827 1 215 . 1 1 29 29 VAL HG12 H 1 0.650 0.03 . 1 . . . A 22 VAL HG12 . 17827 1 216 . 1 1 29 29 VAL HG13 H 1 0.650 0.03 . 1 . . . A 22 VAL HG13 . 17827 1 217 . 1 1 29 29 VAL HG21 H 1 0.540 0.03 . 1 . . . A 22 VAL HG21 . 17827 1 218 . 1 1 29 29 VAL HG22 H 1 0.540 0.03 . 1 . . . A 22 VAL HG22 . 17827 1 219 . 1 1 29 29 VAL HG23 H 1 0.540 0.03 . 1 . . . A 22 VAL HG23 . 17827 1 220 . 1 1 29 29 VAL C C 13 173.953 0.50 . 1 . . . A 22 VAL C . 17827 1 221 . 1 1 29 29 VAL CA C 13 60.440 0.50 . 1 . . . A 22 VAL CA . 17827 1 222 . 1 1 29 29 VAL CB C 13 34.350 0.50 . 1 . . . A 22 VAL CB . 17827 1 223 . 1 1 29 29 VAL CG1 C 13 22.920 0.50 . 1 . . . A 22 VAL CG1 . 17827 1 224 . 1 1 29 29 VAL CG2 C 13 20.180 0.50 . 1 . . . A 22 VAL CG2 . 17827 1 225 . 1 1 29 29 VAL N N 15 125.881 0.25 . 1 . . . A 22 VAL N . 17827 1 226 . 1 1 30 30 HIS H H 1 8.810 0.03 . 1 . . . A 23 HIS H . 17827 1 227 . 1 1 30 30 HIS HA H 1 5.220 0.03 . 1 . . . A 23 HIS HA . 17827 1 228 . 1 1 30 30 HIS HB2 H 1 3.220 0.03 . 1 . . . A 23 HIS HB2 . 17827 1 229 . 1 1 30 30 HIS HB3 H 1 3.140 0.03 . 1 . . . A 23 HIS HB3 . 17827 1 230 . 1 1 30 30 HIS C C 13 174.596 0.50 . 1 . . . A 23 HIS C . 17827 1 231 . 1 1 30 30 HIS CA C 13 55.250 0.50 . 1 . . . A 23 HIS CA . 17827 1 232 . 1 1 30 30 HIS CB C 13 30.550 0.50 . 1 . . . A 23 HIS CB . 17827 1 233 . 1 1 30 30 HIS N N 15 126.560 0.25 . 1 . . . A 23 HIS N . 17827 1 234 . 1 1 31 31 VAL H H 1 9.043 0.03 . 1 . . . A 24 VAL H . 17827 1 235 . 1 1 31 31 VAL HA H 1 5.230 0.03 . 1 . . . A 24 VAL HA . 17827 1 236 . 1 1 31 31 VAL HB H 1 2.170 0.03 . 1 . . . A 24 VAL HB . 17827 1 237 . 1 1 31 31 VAL HG11 H 1 1.280 0.03 . 1 . . . A 24 VAL HG11 . 17827 1 238 . 1 1 31 31 VAL HG12 H 1 1.280 0.03 . 1 . . . A 24 VAL HG12 . 17827 1 239 . 1 1 31 31 VAL HG13 H 1 1.280 0.03 . 1 . . . A 24 VAL HG13 . 17827 1 240 . 1 1 31 31 VAL HG21 H 1 0.950 0.03 . 1 . . . A 24 VAL HG21 . 17827 1 241 . 1 1 31 31 VAL HG22 H 1 0.950 0.03 . 1 . . . A 24 VAL HG22 . 17827 1 242 . 1 1 31 31 VAL HG23 H 1 0.950 0.03 . 1 . . . A 24 VAL HG23 . 17827 1 243 . 1 1 31 31 VAL C C 13 177.426 0.50 . 1 . . . A 24 VAL C . 17827 1 244 . 1 1 31 31 VAL CA C 13 55.530 0.50 . 1 . . . A 24 VAL CA . 17827 1 245 . 1 1 31 31 VAL CB C 13 31.040 0.50 . 1 . . . A 24 VAL CB . 17827 1 246 . 1 1 31 31 VAL CG1 C 13 22.350 0.50 . 1 . . . A 24 VAL CG1 . 17827 1 247 . 1 1 31 31 VAL CG2 C 13 20.830 0.50 . 1 . . . A 24 VAL CG2 . 17827 1 248 . 1 1 31 31 VAL N N 15 130.587 0.25 . 1 . . . A 24 VAL N . 17827 1 249 . 1 1 32 32 THR H H 1 8.245 0.03 . 1 . . . A 25 THR H . 17827 1 250 . 1 1 32 32 THR HA H 1 3.970 0.03 . 1 . . . A 25 THR HA . 17827 1 251 . 1 1 32 32 THR HB H 1 4.335 0.03 . 1 . . . A 25 THR HB . 17827 1 252 . 1 1 32 32 THR HG21 H 1 1.430 0.03 . 1 . . . A 25 THR HG21 . 17827 1 253 . 1 1 32 32 THR HG22 H 1 1.430 0.03 . 1 . . . A 25 THR HG22 . 17827 1 254 . 1 1 32 32 THR HG23 H 1 1.430 0.03 . 1 . . . A 25 THR HG23 . 17827 1 255 . 1 1 32 32 THR C C 13 177.437 0.50 . 1 . . . A 25 THR C . 17827 1 256 . 1 1 32 32 THR CA C 13 66.470 0.50 . 1 . . . A 25 THR CA . 17827 1 257 . 1 1 32 32 THR CB C 13 68.220 0.50 . 1 . . . A 25 THR CB . 17827 1 258 . 1 1 32 32 THR CG2 C 13 22.320 0.50 . 1 . . . A 25 THR CG2 . 17827 1 259 . 1 1 32 32 THR N N 15 122.484 0.25 . 1 . . . A 25 THR N . 17827 1 260 . 1 1 34 34 VAL H H 1 6.977 0.03 . 1 . . . A 27 VAL H . 17827 1 261 . 1 1 34 34 VAL HA H 1 4.500 0.03 . 1 . . . A 27 VAL HA . 17827 1 262 . 1 1 34 34 VAL HB H 1 1.692 0.03 . 1 . . . A 27 VAL HB . 17827 1 263 . 1 1 34 34 VAL HG11 H 1 1.015 0.03 . 1 . . . A 27 VAL HG11 . 17827 1 264 . 1 1 34 34 VAL HG12 H 1 1.015 0.03 . 1 . . . A 27 VAL HG12 . 17827 1 265 . 1 1 34 34 VAL HG13 H 1 1.015 0.03 . 1 . . . A 27 VAL HG13 . 17827 1 266 . 1 1 34 34 VAL HG21 H 1 0.930 0.03 . 1 . . . A 27 VAL HG21 . 17827 1 267 . 1 1 34 34 VAL HG22 H 1 0.930 0.03 . 1 . . . A 27 VAL HG22 . 17827 1 268 . 1 1 34 34 VAL HG23 H 1 0.930 0.03 . 1 . . . A 27 VAL HG23 . 17827 1 269 . 1 1 34 34 VAL CA C 13 54.220 0.50 . 1 . . . A 27 VAL CA . 17827 1 270 . 1 1 34 34 VAL CB C 13 27.060 0.50 . 1 . . . A 27 VAL CB . 17827 1 271 . 1 1 34 34 VAL CG1 C 13 25.700 0.50 . 1 . . . A 27 VAL CG1 . 17827 1 272 . 1 1 34 34 VAL CG2 C 13 22.400 0.50 . 1 . . . A 27 VAL CG2 . 17827 1 273 . 1 1 34 34 VAL N N 15 114.090 0.25 . 1 . . . A 27 VAL N . 17827 1 274 . 1 1 35 35 ASN H H 1 7.897 0.03 . 1 . . . A 28 ASN H . 17827 1 275 . 1 1 35 35 ASN HA H 1 4.299 0.03 . 1 . . . A 28 ASN HA . 17827 1 276 . 1 1 35 35 ASN HB2 H 1 3.273 0.03 . 1 . . . A 28 ASN HB2 . 17827 1 277 . 1 1 35 35 ASN HB3 H 1 2.630 0.03 . 1 . . . A 28 ASN HB3 . 17827 1 278 . 1 1 35 35 ASN CA C 13 53.650 0.50 . 1 . . . A 28 ASN CA . 17827 1 279 . 1 1 35 35 ASN CB C 13 37.110 0.50 . 1 . . . A 28 ASN CB . 17827 1 280 . 1 1 35 35 ASN N N 15 116.829 0.25 . 1 . . . A 28 ASN N . 17827 1 281 . 1 1 36 36 ARG H H 1 6.787 0.03 . 1 . . . A 29 ARG H . 17827 1 282 . 1 1 36 36 ARG HA H 1 4.700 0.03 . 1 . . . A 29 ARG HA . 17827 1 283 . 1 1 36 36 ARG HB2 H 1 1.570 0.03 . 1 . . . A 29 ARG HB2 . 17827 1 284 . 1 1 36 36 ARG HB3 H 1 1.510 0.03 . 1 . . . A 29 ARG HB3 . 17827 1 285 . 1 1 36 36 ARG HG2 H 1 1.520 0.03 . 1 . . . A 29 ARG HG2 . 17827 1 286 . 1 1 36 36 ARG HG3 H 1 1.445 0.03 . 1 . . . A 29 ARG HG3 . 17827 1 287 . 1 1 36 36 ARG HD2 H 1 3.055 0.03 . 1 . . . A 29 ARG HD2 . 17827 1 288 . 1 1 36 36 ARG C C 13 173.347 0.50 . 1 . . . A 29 ARG C . 17827 1 289 . 1 1 36 36 ARG CA C 13 54.900 0.50 . 1 . . . A 29 ARG CA . 17827 1 290 . 1 1 36 36 ARG CB C 13 34.700 0.50 . 1 . . . A 29 ARG CB . 17827 1 291 . 1 1 36 36 ARG CG C 13 26.200 0.50 . 1 . . . A 29 ARG CG . 17827 1 292 . 1 1 36 36 ARG CD C 13 43.270 0.50 . 1 . . . A 29 ARG CD . 17827 1 293 . 1 1 36 36 ARG N N 15 114.310 0.25 . 1 . . . A 29 ARG N . 17827 1 294 . 1 1 37 37 ASP H H 1 8.760 0.03 . 1 . . . A 30 ASP H . 17827 1 295 . 1 1 37 37 ASP HA H 1 5.475 0.03 . 1 . . . A 30 ASP HA . 17827 1 296 . 1 1 37 37 ASP HB2 H 1 2.488 0.03 . 1 . . . A 30 ASP HB2 . 17827 1 297 . 1 1 37 37 ASP C C 13 175.354 0.50 . 1 . . . A 30 ASP C . 17827 1 298 . 1 1 37 37 ASP CA C 13 53.660 0.50 . 1 . . . A 30 ASP CA . 17827 1 299 . 1 1 37 37 ASP CB C 13 42.260 0.50 . 1 . . . A 30 ASP CB . 17827 1 300 . 1 1 37 37 ASP N N 15 124.071 0.25 . 1 . . . A 30 ASP N . 17827 1 301 . 1 1 38 38 VAL H H 1 9.187 0.03 . 1 . . . A 31 VAL H . 17827 1 302 . 1 1 38 38 VAL HA H 1 4.270 0.03 . 1 . . . A 31 VAL HA . 17827 1 303 . 1 1 38 38 VAL HB H 1 1.700 0.03 . 1 . . . A 31 VAL HB . 17827 1 304 . 1 1 38 38 VAL HG11 H 1 0.640 0.03 . 1 . . . A 31 VAL HG11 . 17827 1 305 . 1 1 38 38 VAL HG12 H 1 0.640 0.03 . 1 . . . A 31 VAL HG12 . 17827 1 306 . 1 1 38 38 VAL HG13 H 1 0.640 0.03 . 1 . . . A 31 VAL HG13 . 17827 1 307 . 1 1 38 38 VAL C C 13 174.203 0.50 . 1 . . . A 31 VAL C . 17827 1 308 . 1 1 38 38 VAL CA C 13 60.700 0.50 . 1 . . . A 31 VAL CA . 17827 1 309 . 1 1 38 38 VAL CB C 13 34.620 0.50 . 1 . . . A 31 VAL CB . 17827 1 310 . 1 1 38 38 VAL CG1 C 13 20.590 0.50 . 1 . . . A 31 VAL CG1 . 17827 1 311 . 1 1 38 38 VAL N N 15 123.300 0.25 . 1 . . . A 31 VAL N . 17827 1 312 . 1 1 39 39 THR H H 1 8.360 0.03 . 1 . . . A 32 THR H . 17827 1 313 . 1 1 39 39 THR HA H 1 5.095 0.03 . 1 . . . A 32 THR HA . 17827 1 314 . 1 1 39 39 THR HB H 1 3.840 0.03 . 1 . . . A 32 THR HB . 17827 1 315 . 1 1 39 39 THR HG21 H 1 1.015 0.03 . 1 . . . A 32 THR HG21 . 17827 1 316 . 1 1 39 39 THR HG22 H 1 1.015 0.03 . 1 . . . A 32 THR HG22 . 17827 1 317 . 1 1 39 39 THR HG23 H 1 1.015 0.03 . 1 . . . A 32 THR HG23 . 17827 1 318 . 1 1 39 39 THR C C 13 173.547 0.50 . 1 . . . A 32 THR C . 17827 1 319 . 1 1 39 39 THR CA C 13 60.550 0.50 . 1 . . . A 32 THR CA . 17827 1 320 . 1 1 39 39 THR CB C 13 70.170 0.50 . 1 . . . A 32 THR CB . 17827 1 321 . 1 1 39 39 THR CG2 C 13 21.630 0.50 . 1 . . . A 32 THR CG2 . 17827 1 322 . 1 1 39 39 THR N N 15 119.766 0.25 . 1 . . . A 32 THR N . 17827 1 323 . 1 1 40 40 LEU H H 1 8.750 0.03 . 1 . . . A 33 LEU H . 17827 1 324 . 1 1 40 40 LEU HA H 1 4.590 0.03 . 1 . . . A 33 LEU HA . 17827 1 325 . 1 1 40 40 LEU HB2 H 1 1.135 0.03 . 1 . . . A 33 LEU HB2 . 17827 1 326 . 1 1 40 40 LEU HB3 H 1 1.370 0.03 . 1 . . . A 33 LEU HB3 . 17827 1 327 . 1 1 40 40 LEU HD11 H 1 0.560 0.03 . 1 . . . A 33 LEU HD11 . 17827 1 328 . 1 1 40 40 LEU HD12 H 1 0.560 0.03 . 1 . . . A 33 LEU HD12 . 17827 1 329 . 1 1 40 40 LEU HD13 H 1 0.560 0.03 . 1 . . . A 33 LEU HD13 . 17827 1 330 . 1 1 40 40 LEU HD21 H 1 0.570 0.03 . 1 . . . A 33 LEU HD21 . 17827 1 331 . 1 1 40 40 LEU HD22 H 1 0.570 0.03 . 1 . . . A 33 LEU HD22 . 17827 1 332 . 1 1 40 40 LEU HD23 H 1 0.570 0.03 . 1 . . . A 33 LEU HD23 . 17827 1 333 . 1 1 40 40 LEU C C 13 174.691 0.50 . 1 . . . A 33 LEU C . 17827 1 334 . 1 1 40 40 LEU CA C 13 52.580 0.50 . 1 . . . A 33 LEU CA . 17827 1 335 . 1 1 40 40 LEU CB C 13 45.410 0.50 . 1 . . . A 33 LEU CB . 17827 1 336 . 1 1 40 40 LEU CD1 C 13 26.730 0.50 . 1 . . . A 33 LEU CD1 . 17827 1 337 . 1 1 40 40 LEU CD2 C 13 24.100 0.50 . 1 . . . A 33 LEU CD2 . 17827 1 338 . 1 1 40 40 LEU N N 15 124.522 0.25 . 1 . . . A 33 LEU N . 17827 1 339 . 1 1 41 41 ARG H H 1 8.345 0.03 . 1 . . . A 34 ARG H . 17827 1 340 . 1 1 41 41 ARG HA H 1 4.680 0.03 . 1 . . . A 34 ARG HA . 17827 1 341 . 1 1 41 41 ARG HB2 H 1 1.490 0.03 . 1 . . . A 34 ARG HB2 . 17827 1 342 . 1 1 41 41 ARG HG2 H 1 1.385 0.03 . 1 . . . A 34 ARG HG2 . 17827 1 343 . 1 1 41 41 ARG HD2 H 1 2.810 0.03 . 1 . . . A 34 ARG HD2 . 17827 1 344 . 1 1 41 41 ARG HD3 H 1 3.068 0.03 . 1 . . . A 34 ARG HD3 . 17827 1 345 . 1 1 41 41 ARG C C 13 175.700 0.50 . 1 . . . A 34 ARG C . 17827 1 346 . 1 1 41 41 ARG CA C 13 55.420 0.50 . 1 . . . A 34 ARG CA . 17827 1 347 . 1 1 41 41 ARG CB C 13 29.500 0.50 . 1 . . . A 34 ARG CB . 17827 1 348 . 1 1 41 41 ARG CG C 13 26.600 0.50 . 1 . . . A 34 ARG CG . 17827 1 349 . 1 1 41 41 ARG CD C 13 42.400 0.50 . 1 . . . A 34 ARG CD . 17827 1 350 . 1 1 41 41 ARG N N 15 122.712 0.25 . 1 . . . A 34 ARG N . 17827 1 351 . 1 1 42 42 VAL H H 1 8.640 0.03 . 1 . . . A 35 VAL H . 17827 1 352 . 1 1 42 42 VAL HA H 1 4.465 0.03 . 1 . . . A 35 VAL HA . 17827 1 353 . 1 1 42 42 VAL HB H 1 1.570 0.03 . 1 . . . A 35 VAL HB . 17827 1 354 . 1 1 42 42 VAL HG11 H 1 0.390 0.03 . 1 . . . A 35 VAL HG11 . 17827 1 355 . 1 1 42 42 VAL HG12 H 1 0.390 0.03 . 1 . . . A 35 VAL HG12 . 17827 1 356 . 1 1 42 42 VAL HG13 H 1 0.390 0.03 . 1 . . . A 35 VAL HG13 . 17827 1 357 . 1 1 42 42 VAL HG21 H 1 -0.870 0.03 . 1 . . . A 35 VAL HG21 . 17827 1 358 . 1 1 42 42 VAL HG22 H 1 -0.870 0.03 . 1 . . . A 35 VAL HG22 . 17827 1 359 . 1 1 42 42 VAL HG23 H 1 -0.870 0.03 . 1 . . . A 35 VAL HG23 . 17827 1 360 . 1 1 42 42 VAL C C 13 173.184 0.50 . 1 . . . A 35 VAL C . 17827 1 361 . 1 1 42 42 VAL CA C 13 58.670 0.50 . 1 . . . A 35 VAL CA . 17827 1 362 . 1 1 42 42 VAL CB C 13 36.050 0.50 . 1 . . . A 35 VAL CB . 17827 1 363 . 1 1 42 42 VAL CG1 C 13 21.310 0.50 . 1 . . . A 35 VAL CG1 . 17827 1 364 . 1 1 42 42 VAL CG2 C 13 16.690 0.50 . 1 . . . A 35 VAL CG2 . 17827 1 365 . 1 1 42 42 VAL N N 15 117.728 0.25 . 1 . . . A 35 VAL N . 17827 1 366 . 1 1 43 43 THR H H 1 6.220 0.03 . 1 . . . A 36 THR H . 17827 1 367 . 1 1 43 43 THR HA H 1 4.660 0.03 . 1 . . . A 36 THR HA . 17827 1 368 . 1 1 43 43 THR HB H 1 4.410 0.03 . 1 . . . A 36 THR HB . 17827 1 369 . 1 1 43 43 THR HG21 H 1 0.970 0.03 . 1 . . . A 36 THR HG21 . 17827 1 370 . 1 1 43 43 THR HG22 H 1 0.970 0.03 . 1 . . . A 36 THR HG22 . 17827 1 371 . 1 1 43 43 THR HG23 H 1 0.970 0.03 . 1 . . . A 36 THR HG23 . 17827 1 372 . 1 1 43 43 THR C C 13 174.862 0.50 . 1 . . . A 36 THR C . 17827 1 373 . 1 1 43 43 THR CA C 13 59.010 0.50 . 1 . . . A 36 THR CA . 17827 1 374 . 1 1 43 43 THR CB C 13 71.570 0.50 . 1 . . . A 36 THR CB . 17827 1 375 . 1 1 43 43 THR CG2 C 13 20.340 0.50 . 1 . . . A 36 THR CG2 . 17827 1 376 . 1 1 43 43 THR N N 15 104.359 0.25 . 1 . . . A 36 THR N . 17827 1 377 . 1 1 44 44 GLY H H 1 9.160 0.03 . 1 . . . A 37 GLY H . 17827 1 378 . 1 1 44 44 GLY HA2 H 1 4.360 0.03 . 1 . . . A 37 GLY HA2 . 17827 1 379 . 1 1 44 44 GLY HA3 H 1 3.990 0.03 . 1 . . . A 37 GLY HA3 . 17827 1 380 . 1 1 44 44 GLY C C 13 173.394 0.50 . 1 . . . A 37 GLY C . 17827 1 381 . 1 1 44 44 GLY CA C 13 46.830 0.50 . 1 . . . A 37 GLY CA . 17827 1 382 . 1 1 44 44 GLY N N 15 105.946 0.25 . 1 . . . A 37 GLY N . 17827 1 383 . 1 1 45 45 GLU H H 1 7.500 0.03 . 1 . . . A 38 GLU H . 17827 1 384 . 1 1 45 45 GLU HA H 1 4.290 0.03 . 1 . . . A 38 GLU HA . 17827 1 385 . 1 1 45 45 GLU HB2 H 1 1.770 0.03 . 1 . . . A 38 GLU HB2 . 17827 1 386 . 1 1 45 45 GLU HG2 H 1 2.240 0.03 . 1 . . . A 38 GLU HG2 . 17827 1 387 . 1 1 45 45 GLU C C 13 176.167 0.50 . 1 . . . A 38 GLU C . 17827 1 388 . 1 1 45 45 GLU CA C 13 55.500 0.50 . 1 . . . A 38 GLU CA . 17827 1 389 . 1 1 45 45 GLU CB C 13 30.950 0.50 . 1 . . . A 38 GLU CB . 17827 1 390 . 1 1 45 45 GLU CG C 13 36.470 0.50 . 1 . . . A 38 GLU CG . 17827 1 391 . 1 1 45 45 GLU N N 15 113.875 0.25 . 1 . . . A 38 GLU N . 17827 1 392 . 1 1 46 46 VAL H H 1 7.260 0.03 . 1 . . . A 39 VAL H . 17827 1 393 . 1 1 46 46 VAL HA H 1 3.820 0.03 . 1 . . . A 39 VAL HA . 17827 1 394 . 1 1 46 46 VAL HB H 1 1.950 0.03 . 1 . . . A 39 VAL HB . 17827 1 395 . 1 1 46 46 VAL HG11 H 1 0.990 0.03 . 1 . . . A 39 VAL HG11 . 17827 1 396 . 1 1 46 46 VAL HG12 H 1 0.990 0.03 . 1 . . . A 39 VAL HG12 . 17827 1 397 . 1 1 46 46 VAL HG13 H 1 0.990 0.03 . 1 . . . A 39 VAL HG13 . 17827 1 398 . 1 1 46 46 VAL HG21 H 1 0.920 0.03 . 1 . . . A 39 VAL HG21 . 17827 1 399 . 1 1 46 46 VAL HG22 H 1 0.920 0.03 . 1 . . . A 39 VAL HG22 . 17827 1 400 . 1 1 46 46 VAL HG23 H 1 0.920 0.03 . 1 . . . A 39 VAL HG23 . 17827 1 401 . 1 1 46 46 VAL C C 13 174.651 0.50 . 1 . . . A 39 VAL C . 17827 1 402 . 1 1 46 46 VAL CA C 13 63.920 0.50 . 1 . . . A 39 VAL CA . 17827 1 403 . 1 1 46 46 VAL CB C 13 31.590 0.50 . 1 . . . A 39 VAL CB . 17827 1 404 . 1 1 46 46 VAL CG1 C 13 23.070 0.50 . 1 . . . A 39 VAL CG1 . 17827 1 405 . 1 1 46 46 VAL CG2 C 13 21.310 0.50 . 1 . . . A 39 VAL CG2 . 17827 1 406 . 1 1 46 46 VAL N N 15 121.577 0.25 . 1 . . . A 39 VAL N . 17827 1 407 . 1 1 47 47 HIS H H 1 8.285 0.03 . 1 . . . A 40 HIS H . 17827 1 408 . 1 1 47 47 HIS HA H 1 5.212 0.03 . 1 . . . A 40 HIS HA . 17827 1 409 . 1 1 47 47 HIS HB2 H 1 3.140 0.03 . 1 . . . A 40 HIS HB2 . 17827 1 410 . 1 1 47 47 HIS HB3 H 1 3.300 0.03 . 1 . . . A 40 HIS HB3 . 17827 1 411 . 1 1 47 47 HIS C C 13 177.440 0.50 . 1 . . . A 40 HIS C . 17827 1 412 . 1 1 47 47 HIS CA C 13 54.660 0.50 . 1 . . . A 40 HIS CA . 17827 1 413 . 1 1 47 47 HIS CB C 13 30.910 0.50 . 1 . . . A 40 HIS CB . 17827 1 414 . 1 1 47 47 HIS N N 15 123.391 0.25 . 1 . . . A 40 HIS N . 17827 1 415 . 1 1 48 48 ILE H H 1 8.863 0.03 . 1 . . . A 41 ILE H . 17827 1 416 . 1 1 48 48 ILE HA H 1 3.530 0.03 . 1 . . . A 41 ILE HA . 17827 1 417 . 1 1 48 48 ILE HB H 1 2.435 0.03 . 1 . . . A 41 ILE HB . 17827 1 418 . 1 1 48 48 ILE HG12 H 1 1.420 0.03 . 1 . . . A 41 ILE HG12 . 17827 1 419 . 1 1 48 48 ILE HG13 H 1 1.990 0.03 . 1 . . . A 41 ILE HG13 . 17827 1 420 . 1 1 48 48 ILE HG21 H 1 0.570 0.03 . 1 . . . A 41 ILE HG21 . 17827 1 421 . 1 1 48 48 ILE HG22 H 1 0.570 0.03 . 1 . . . A 41 ILE HG22 . 17827 1 422 . 1 1 48 48 ILE HG23 H 1 0.570 0.03 . 1 . . . A 41 ILE HG23 . 17827 1 423 . 1 1 48 48 ILE HD11 H 1 0.870 0.03 . 1 . . . A 41 ILE HD11 . 17827 1 424 . 1 1 48 48 ILE HD12 H 1 0.870 0.03 . 1 . . . A 41 ILE HD12 . 17827 1 425 . 1 1 48 48 ILE HD13 H 1 0.870 0.03 . 1 . . . A 41 ILE HD13 . 17827 1 426 . 1 1 48 48 ILE C C 13 178.941 0.50 . 1 . . . A 41 ILE C . 17827 1 427 . 1 1 48 48 ILE CA C 13 62.330 0.50 . 1 . . . A 41 ILE CA . 17827 1 428 . 1 1 48 48 ILE CB C 13 34.230 0.50 . 1 . . . A 41 ILE CB . 17827 1 429 . 1 1 48 48 ILE CG1 C 13 27.800 0.50 . 1 . . . A 41 ILE CG1 . 17827 1 430 . 1 1 48 48 ILE CG2 C 13 9.200 0.50 . 1 . . . A 41 ILE CG2 . 17827 1 431 . 1 1 48 48 ILE CD1 C 13 17.880 0.50 . 1 . . . A 41 ILE CD1 . 17827 1 432 . 1 1 48 48 ILE N N 15 124.071 0.25 . 1 . . . A 41 ILE N . 17827 1 433 . 1 1 49 49 GLY H H 1 9.720 0.03 . 1 . . . A 42 GLY H . 17827 1 434 . 1 1 49 49 GLY HA2 H 1 3.867 0.03 . 1 . . . A 42 GLY HA2 . 17827 1 435 . 1 1 49 49 GLY C C 13 175.669 0.50 . 1 . . . A 42 GLY C . 17827 1 436 . 1 1 49 49 GLY CA C 13 45.320 0.50 . 1 . . . A 42 GLY CA . 17827 1 437 . 1 1 49 49 GLY N N 15 106.853 0.25 . 1 . . . A 42 GLY N . 17827 1 438 . 1 1 50 50 GLY H H 1 6.950 0.03 . 1 . . . A 43 GLY H . 17827 1 439 . 1 1 50 50 GLY HA2 H 1 3.789 0.03 . 1 . . . A 43 GLY HA2 . 17827 1 440 . 1 1 50 50 GLY HA3 H 1 3.490 0.03 . 1 . . . A 43 GLY HA3 . 17827 1 441 . 1 1 50 50 GLY C C 13 175.847 0.50 . 1 . . . A 43 GLY C . 17827 1 442 . 1 1 50 50 GLY CA C 13 47.000 0.50 . 1 . . . A 43 GLY CA . 17827 1 443 . 1 1 50 50 GLY N N 15 109.571 0.25 . 1 . . . A 43 GLY N . 17827 1 444 . 1 1 51 51 VAL H H 1 7.860 0.03 . 1 . . . A 44 VAL H . 17827 1 445 . 1 1 51 51 VAL HA H 1 3.115 0.03 . 1 . . . A 44 VAL HA . 17827 1 446 . 1 1 51 51 VAL HB H 1 2.170 0.03 . 1 . . . A 44 VAL HB . 17827 1 447 . 1 1 51 51 VAL HG11 H 1 0.718 0.03 . 1 . . . A 44 VAL HG11 . 17827 1 448 . 1 1 51 51 VAL HG12 H 1 0.718 0.03 . 1 . . . A 44 VAL HG12 . 17827 1 449 . 1 1 51 51 VAL HG13 H 1 0.718 0.03 . 1 . . . A 44 VAL HG13 . 17827 1 450 . 1 1 51 51 VAL HG21 H 1 0.455 0.03 . 1 . . . A 44 VAL HG21 . 17827 1 451 . 1 1 51 51 VAL HG22 H 1 0.455 0.03 . 1 . . . A 44 VAL HG22 . 17827 1 452 . 1 1 51 51 VAL HG23 H 1 0.455 0.03 . 1 . . . A 44 VAL HG23 . 17827 1 453 . 1 1 51 51 VAL C C 13 176.804 0.50 . 1 . . . A 44 VAL C . 17827 1 454 . 1 1 51 51 VAL CA C 13 66.660 0.50 . 1 . . . A 44 VAL CA . 17827 1 455 . 1 1 51 51 VAL CB C 13 30.730 0.50 . 1 . . . A 44 VAL CB . 17827 1 456 . 1 1 51 51 VAL CG1 C 13 23.320 0.50 . 1 . . . A 44 VAL CG1 . 17827 1 457 . 1 1 51 51 VAL CG2 C 13 21.140 0.50 . 1 . . . A 44 VAL CG2 . 17827 1 458 . 1 1 51 51 VAL N N 15 123.163 0.25 . 1 . . . A 44 VAL N . 17827 1 459 . 1 1 52 52 MET H H 1 7.940 0.03 . 1 . . . A 45 MET H . 17827 1 460 . 1 1 52 52 MET HA H 1 3.410 0.03 . 1 . . . A 45 MET HA . 17827 1 461 . 1 1 52 52 MET HB2 H 1 2.185 0.03 . 1 . . . A 45 MET HB2 . 17827 1 462 . 1 1 52 52 MET HG2 H 1 2.754 0.03 . 1 . . . A 45 MET HG2 . 17827 1 463 . 1 1 52 52 MET HE1 H 1 2.322 0.03 . 1 . . . A 45 MET HE1 . 17827 1 464 . 1 1 52 52 MET HE2 H 1 2.322 0.03 . 1 . . . A 45 MET HE2 . 17827 1 465 . 1 1 52 52 MET HE3 H 1 2.322 0.03 . 1 . . . A 45 MET HE3 . 17827 1 466 . 1 1 52 52 MET C C 13 176.881 0.50 . 1 . . . A 45 MET C . 17827 1 467 . 1 1 52 52 MET CA C 13 59.830 0.50 . 1 . . . A 45 MET CA . 17827 1 468 . 1 1 52 52 MET CB C 13 32.310 0.50 . 1 . . . A 45 MET CB . 17827 1 469 . 1 1 52 52 MET CG C 13 32.280 0.50 . 1 . . . A 45 MET CG . 17827 1 470 . 1 1 52 52 MET CE C 13 16.390 0.50 . 1 . . . A 45 MET CE . 17827 1 471 . 1 1 52 52 MET N N 15 115.913 0.25 . 1 . . . A 45 MET N . 17827 1 472 . 1 1 53 53 LEU H H 1 7.550 0.03 . 1 . . . A 46 LEU H . 17827 1 473 . 1 1 53 53 LEU HA H 1 3.940 0.03 . 1 . . . A 46 LEU HA . 17827 1 474 . 1 1 53 53 LEU HB2 H 1 1.700 0.03 . 1 . . . A 46 LEU HB2 . 17827 1 475 . 1 1 53 53 LEU HG H 1 1.680 0.03 . 1 . . . A 46 LEU HG . 17827 1 476 . 1 1 53 53 LEU HD11 H 1 0.855 0.03 . 1 . . . A 46 LEU HD11 . 17827 1 477 . 1 1 53 53 LEU HD12 H 1 0.855 0.03 . 1 . . . A 46 LEU HD12 . 17827 1 478 . 1 1 53 53 LEU HD13 H 1 0.855 0.03 . 1 . . . A 46 LEU HD13 . 17827 1 479 . 1 1 53 53 LEU HD21 H 1 0.835 0.03 . 1 . . . A 46 LEU HD21 . 17827 1 480 . 1 1 53 53 LEU HD22 H 1 0.835 0.03 . 1 . . . A 46 LEU HD22 . 17827 1 481 . 1 1 53 53 LEU HD23 H 1 0.835 0.03 . 1 . . . A 46 LEU HD23 . 17827 1 482 . 1 1 53 53 LEU C C 13 179.178 0.50 . 1 . . . A 46 LEU C . 17827 1 483 . 1 1 53 53 LEU CA C 13 58.500 0.50 . 1 . . . A 46 LEU CA . 17827 1 484 . 1 1 53 53 LEU CB C 13 41.930 0.50 . 1 . . . A 46 LEU CB . 17827 1 485 . 1 1 53 53 LEU CG C 13 26.700 0.50 . 1 . . . A 46 LEU CG . 17827 1 486 . 1 1 53 53 LEU CD1 C 13 24.680 0.50 . 1 . . . A 46 LEU CD1 . 17827 1 487 . 1 1 53 53 LEU CD2 C 13 24.000 0.50 . 1 . . . A 46 LEU CD2 . 17827 1 488 . 1 1 53 53 LEU N N 15 118.291 0.25 . 1 . . . A 46 LEU N . 17827 1 489 . 1 1 54 54 LYS H H 1 7.665 0.03 . 1 . . . A 47 LYS H . 17827 1 490 . 1 1 54 54 LYS HA H 1 3.870 0.03 . 1 . . . A 47 LYS HA . 17827 1 491 . 1 1 54 54 LYS HB2 H 1 1.690 0.03 . 1 . . . A 47 LYS HB2 . 17827 1 492 . 1 1 54 54 LYS HB3 H 1 1.625 0.03 . 1 . . . A 47 LYS HB3 . 17827 1 493 . 1 1 54 54 LYS HG2 H 1 1.423 0.03 . 1 . . . A 47 LYS HG2 . 17827 1 494 . 1 1 54 54 LYS HD2 H 1 1.625 0.03 . 1 . . . A 47 LYS HD2 . 17827 1 495 . 1 1 54 54 LYS HE2 H 1 2.830 0.03 . 1 . . . A 47 LYS HE2 . 17827 1 496 . 1 1 54 54 LYS C C 13 178.616 0.50 . 1 . . . A 47 LYS C . 17827 1 497 . 1 1 54 54 LYS CA C 13 57.980 0.50 . 1 . . . A 47 LYS CA . 17827 1 498 . 1 1 54 54 LYS CB C 13 32.320 0.50 . 1 . . . A 47 LYS CB . 17827 1 499 . 1 1 54 54 LYS CG C 13 25.010 0.50 . 1 . . . A 47 LYS CG . 17827 1 500 . 1 1 54 54 LYS CD C 13 32.320 0.50 . 1 . . . A 47 LYS CD . 17827 1 501 . 1 1 54 54 LYS CE C 13 41.500 0.50 . 1 . . . A 47 LYS CE . 17827 1 502 . 1 1 54 54 LYS N N 15 118.142 0.25 . 1 . . . A 47 LYS N . 17827 1 503 . 1 1 55 55 LEU H H 1 7.975 0.03 . 1 . . . A 48 LEU H . 17827 1 504 . 1 1 55 55 LEU HA H 1 3.570 0.03 . 1 . . . A 48 LEU HA . 17827 1 505 . 1 1 55 55 LEU HB2 H 1 1.145 0.03 . 1 . . . A 48 LEU HB2 . 17827 1 506 . 1 1 55 55 LEU HG H 1 0.925 0.03 . 1 . . . A 48 LEU HG . 17827 1 507 . 1 1 55 55 LEU HD11 H 1 0.120 0.03 . 1 . . . A 48 LEU HD11 . 17827 1 508 . 1 1 55 55 LEU HD12 H 1 0.120 0.03 . 1 . . . A 48 LEU HD12 . 17827 1 509 . 1 1 55 55 LEU HD13 H 1 0.120 0.03 . 1 . . . A 48 LEU HD13 . 17827 1 510 . 1 1 55 55 LEU HD21 H 1 -0.143 0.03 . 1 . . . A 48 LEU HD21 . 17827 1 511 . 1 1 55 55 LEU HD22 H 1 -0.143 0.03 . 1 . . . A 48 LEU HD22 . 17827 1 512 . 1 1 55 55 LEU HD23 H 1 -0.143 0.03 . 1 . . . A 48 LEU HD23 . 17827 1 513 . 1 1 55 55 LEU C C 13 177.405 0.50 . 1 . . . A 48 LEU C . 17827 1 514 . 1 1 55 55 LEU CA C 13 57.790 0.50 . 1 . . . A 48 LEU CA . 17827 1 515 . 1 1 55 55 LEU CB C 13 41.590 0.50 . 1 . . . A 48 LEU CB . 17827 1 516 . 1 1 55 55 LEU CG C 13 26.020 0.50 . 1 . . . A 48 LEU CG . 17827 1 517 . 1 1 55 55 LEU CD1 C 13 23.960 0.50 . 1 . . . A 48 LEU CD1 . 17827 1 518 . 1 1 55 55 LEU CD2 C 13 24.860 0.50 . 1 . . . A 48 LEU CD2 . 17827 1 519 . 1 1 55 55 LEU N N 15 119.385 0.25 . 1 . . . A 48 LEU N . 17827 1 520 . 1 1 56 56 VAL H H 1 7.615 0.03 . 1 . . . A 49 VAL H . 17827 1 521 . 1 1 56 56 VAL HA H 1 2.990 0.03 . 1 . . . A 49 VAL HA . 17827 1 522 . 1 1 56 56 VAL HB H 1 1.955 0.03 . 1 . . . A 49 VAL HB . 17827 1 523 . 1 1 56 56 VAL HG21 H 1 0.770 0.03 . 1 . . . A 49 VAL HG21 . 17827 1 524 . 1 1 56 56 VAL HG22 H 1 0.770 0.03 . 1 . . . A 49 VAL HG22 . 17827 1 525 . 1 1 56 56 VAL HG23 H 1 0.770 0.03 . 1 . . . A 49 VAL HG23 . 17827 1 526 . 1 1 56 56 VAL C C 13 178.564 0.50 . 1 . . . A 49 VAL C . 17827 1 527 . 1 1 56 56 VAL CA C 13 66.310 0.50 . 1 . . . A 49 VAL CA . 17827 1 528 . 1 1 56 56 VAL CB C 13 31.300 0.50 . 1 . . . A 49 VAL CB . 17827 1 529 . 1 1 56 56 VAL CG2 C 13 21.640 0.50 . 1 . . . A 49 VAL CG2 . 17827 1 530 . 1 1 56 56 VAL N N 15 116.141 0.25 . 1 . . . A 49 VAL N . 17827 1 531 . 1 1 57 57 GLU H H 1 7.575 0.03 . 1 . . . A 50 GLU H . 17827 1 532 . 1 1 57 57 GLU HA H 1 3.965 0.03 . 1 . . . A 50 GLU HA . 17827 1 533 . 1 1 57 57 GLU HB2 H 1 2.140 0.03 . 1 . . . A 50 GLU HB2 . 17827 1 534 . 1 1 57 57 GLU HB3 H 1 2.040 0.03 . 1 . . . A 50 GLU HB3 . 17827 1 535 . 1 1 57 57 GLU HG2 H 1 2.145 0.03 . 1 . . . A 50 GLU HG2 . 17827 1 536 . 1 1 57 57 GLU HG3 H 1 2.365 0.03 . 1 . . . A 50 GLU HG3 . 17827 1 537 . 1 1 57 57 GLU C C 13 178.030 0.50 . 1 . . . A 50 GLU C . 17827 1 538 . 1 1 57 57 GLU CA C 13 58.500 0.50 . 1 . . . A 50 GLU CA . 17827 1 539 . 1 1 57 57 GLU CB C 13 29.610 0.50 . 1 . . . A 50 GLU CB . 17827 1 540 . 1 1 57 57 GLU CG C 13 36.320 0.50 . 1 . . . A 50 GLU CG . 17827 1 541 . 1 1 57 57 GLU N N 15 118.631 0.25 . 1 . . . A 50 GLU N . 17827 1 542 . 1 1 58 58 LYS H H 1 7.490 0.03 . 1 . . . A 51 LYS H . 17827 1 543 . 1 1 58 58 LYS HA H 1 4.130 0.03 . 1 . . . A 51 LYS HA . 17827 1 544 . 1 1 58 58 LYS HB2 H 1 1.785 0.03 . 1 . . . A 51 LYS HB2 . 17827 1 545 . 1 1 58 58 LYS HG2 H 1 1.395 0.03 . 1 . . . A 51 LYS HG2 . 17827 1 546 . 1 1 58 58 LYS HD2 H 1 1.560 0.03 . 1 . . . A 51 LYS HD2 . 17827 1 547 . 1 1 58 58 LYS HE2 H 1 2.930 0.03 . 1 . . . A 51 LYS HE2 . 17827 1 548 . 1 1 58 58 LYS C C 13 176.956 0.50 . 1 . . . A 51 LYS C . 17827 1 549 . 1 1 58 58 LYS CA C 13 56.660 0.50 . 1 . . . A 51 LYS CA . 17827 1 550 . 1 1 58 58 LYS CB C 13 32.660 0.50 . 1 . . . A 51 LYS CB . 17827 1 551 . 1 1 58 58 LYS CG C 13 24.960 0.50 . 1 . . . A 51 LYS CG . 17827 1 552 . 1 1 58 58 LYS CD C 13 27.090 0.50 . 1 . . . A 51 LYS CD . 17827 1 553 . 1 1 58 58 LYS CE C 13 42.000 0.50 . 1 . . . A 51 LYS CE . 17827 1 554 . 1 1 58 58 LYS N N 15 117.053 0.25 . 1 . . . A 51 LYS N . 17827 1 555 . 1 1 59 59 LEU H H 1 7.470 0.03 . 1 . . . A 52 LEU H . 17827 1 556 . 1 1 59 59 LEU HA H 1 4.122 0.03 . 1 . . . A 52 LEU HA . 17827 1 557 . 1 1 59 59 LEU HG H 1 1.590 0.03 . 1 . . . A 52 LEU HG . 17827 1 558 . 1 1 59 59 LEU HD11 H 1 0.500 0.03 . 1 . . . A 52 LEU HD11 . 17827 1 559 . 1 1 59 59 LEU HD12 H 1 0.500 0.03 . 1 . . . A 52 LEU HD12 . 17827 1 560 . 1 1 59 59 LEU HD13 H 1 0.500 0.03 . 1 . . . A 52 LEU HD13 . 17827 1 561 . 1 1 59 59 LEU HD21 H 1 1.390 0.03 . 1 . . . A 52 LEU HD21 . 17827 1 562 . 1 1 59 59 LEU HD22 H 1 1.390 0.03 . 1 . . . A 52 LEU HD22 . 17827 1 563 . 1 1 59 59 LEU HD23 H 1 1.390 0.03 . 1 . . . A 52 LEU HD23 . 17827 1 564 . 1 1 59 59 LEU C C 13 176.645 0.50 . 1 . . . A 52 LEU C . 17827 1 565 . 1 1 59 59 LEU CA C 13 56.660 0.50 . 1 . . . A 52 LEU CA . 17827 1 566 . 1 1 59 59 LEU CB C 13 42.700 0.50 . 1 . . . A 52 LEU CB . 17827 1 567 . 1 1 59 59 LEU CG C 13 27.090 0.50 . 1 . . . A 52 LEU CG . 17827 1 568 . 1 1 59 59 LEU CD1 C 13 22.380 0.50 . 1 . . . A 52 LEU CD1 . 17827 1 569 . 1 1 59 59 LEU CD2 C 13 24.960 0.50 . 1 . . . A 52 LEU CD2 . 17827 1 570 . 1 1 59 59 LEU N N 15 119.460 0.25 . 1 . . . A 52 LEU N . 17827 1 571 . 1 1 62 62 LYS C C 13 175.670 0.50 . 1 . . . A 55 LYS C . 17827 1 572 . 1 1 63 63 LYS H H 1 7.245 0.03 . 1 . . . A 56 LYS H . 17827 1 573 . 1 1 63 63 LYS HA H 1 4.302 0.03 . 1 . . . A 56 LYS HA . 17827 1 574 . 1 1 63 63 LYS HB2 H 1 1.765 0.03 . 1 . . . A 56 LYS HB2 . 17827 1 575 . 1 1 63 63 LYS HG2 H 1 1.417 0.03 . 1 . . . A 56 LYS HG2 . 17827 1 576 . 1 1 63 63 LYS HD2 H 1 1.622 0.03 . 1 . . . A 56 LYS HD2 . 17827 1 577 . 1 1 63 63 LYS HE2 H 1 2.93 0.03 . 1 . . . A 56 LYS HE2 . 17827 1 578 . 1 1 63 63 LYS C C 13 172.850 0.50 . 1 . . . A 56 LYS C . 17827 1 579 . 1 1 63 63 LYS CA C 13 54.530 0.50 . 1 . . . A 56 LYS CA . 17827 1 580 . 1 1 63 63 LYS CB C 13 31.1 0.50 . 1 . . . A 56 LYS CB . 17827 1 581 . 1 1 63 63 LYS CG C 13 23.940 0.50 . 1 . . . A 56 LYS CG . 17827 1 582 . 1 1 63 63 LYS CD C 13 28.570 0.50 . 1 . . . A 56 LYS CD . 17827 1 583 . 1 1 63 63 LYS CE C 13 41.300 0.50 . 1 . . . A 56 LYS CE . 17827 1 584 . 1 1 63 63 LYS N N 15 122.430 0.25 . 1 . . . A 56 LYS N . 17827 1 585 . 1 1 64 64 ASP H H 1 7.867 0.03 . 1 . . . A 57 ASP H . 17827 1 586 . 1 1 64 64 ASP HA H 1 4.530 0.03 . 1 . . . A 57 ASP HA . 17827 1 587 . 1 1 64 64 ASP HB2 H 1 2.470 0.03 . 1 . . . A 57 ASP HB2 . 17827 1 588 . 1 1 64 64 ASP HB3 H 1 2.690 0.03 . 1 . . . A 57 ASP HB3 . 17827 1 589 . 1 1 64 64 ASP C C 13 176.710 0.50 . 1 . . . A 57 ASP C . 17827 1 590 . 1 1 64 64 ASP CA C 13 52.500 0.50 . 1 . . . A 57 ASP CA . 17827 1 591 . 1 1 64 64 ASP CB C 13 40.320 0.50 . 1 . . . A 57 ASP CB . 17827 1 592 . 1 1 64 64 ASP N N 15 118.867 0.25 . 1 . . . A 57 ASP N . 17827 1 593 . 1 1 65 65 TRP H H 1 8.790 0.03 . 1 . . . A 58 TRP H . 17827 1 594 . 1 1 65 65 TRP HA H 1 4.540 0.03 . 1 . . . A 58 TRP HA . 17827 1 595 . 1 1 65 65 TRP HB2 H 1 3.479 0.03 . 1 . . . A 58 TRP HB2 . 17827 1 596 . 1 1 65 65 TRP HB3 H 1 2.910 0.03 . 1 . . . A 58 TRP HB3 . 17827 1 597 . 1 1 65 65 TRP HE1 H 1 10.100 0.03 . 1 . . . A 58 TRP HE1 . 17827 1 598 . 1 1 65 65 TRP C C 13 178.390 0.50 . 1 . . . A 58 TRP C . 17827 1 599 . 1 1 65 65 TRP CA C 13 52.860 0.50 . 1 . . . A 58 TRP CA . 17827 1 600 . 1 1 65 65 TRP CB C 13 29.420 0.50 . 1 . . . A 58 TRP CB . 17827 1 601 . 1 1 65 65 TRP N N 15 128.827 0.25 . 1 . . . A 58 TRP N . 17827 1 602 . 1 1 65 65 TRP NE1 N 15 128.827 0.25 . 1 . . . A 58 TRP NE1 . 17827 1 603 . 1 1 66 66 SER H H 1 8.637 0.03 . 1 . . . A 59 SER H . 17827 1 604 . 1 1 66 66 SER HA H 1 4.143 0.03 . 1 . . . A 59 SER HA . 17827 1 605 . 1 1 66 66 SER HB2 H 1 3.952 0.03 . 1 . . . A 59 SER HB2 . 17827 1 606 . 1 1 66 66 SER HB3 H 1 3.994 0.03 . 1 . . . A 59 SER HB3 . 17827 1 607 . 1 1 66 66 SER C C 13 174.471 0.50 . 1 . . . A 59 SER C . 17827 1 608 . 1 1 66 66 SER CA C 13 62.350 0.50 . 1 . . . A 59 SER CA . 17827 1 609 . 1 1 66 66 SER CB C 13 63.110 0.50 . 1 . . . A 59 SER CB . 17827 1 610 . 1 1 66 66 SER N N 15 117.724 0.25 . 1 . . . A 59 SER N . 17827 1 611 . 1 1 67 67 ASP H H 1 8.895 0.03 . 1 . . . A 60 ASP H . 17827 1 612 . 1 1 67 67 ASP HB2 H 1 2.540 0.03 . 1 . . . A 60 ASP HB2 . 17827 1 613 . 1 1 67 67 ASP C C 13 176.206 0.50 . 1 . . . A 60 ASP C . 17827 1 614 . 1 1 67 67 ASP CB C 13 42.560 0.50 . 1 . . . A 60 ASP CB . 17827 1 615 . 1 1 67 67 ASP N N 15 121.042 0.25 . 1 . . . A 60 ASP N . 17827 1 616 . 1 1 68 68 HIS H H 1 7.958 0.03 . 1 . . . A 61 HIS H . 17827 1 617 . 1 1 68 68 HIS HA H 1 4.490 0.03 . 1 . . . A 61 HIS HA . 17827 1 618 . 1 1 68 68 HIS HB2 H 1 2.990 0.03 . 1 . . . A 61 HIS HB2 . 17827 1 619 . 1 1 68 68 HIS HB3 H 1 3.100 0.03 . 1 . . . A 61 HIS HB3 . 17827 1 620 . 1 1 68 68 HIS C C 13 174.546 0.50 . 1 . . . A 61 HIS C . 17827 1 621 . 1 1 68 68 HIS CA C 13 57.940 0.50 . 1 . . . A 61 HIS CA . 17827 1 622 . 1 1 68 68 HIS CB C 13 39.410 0.50 . 1 . . . A 61 HIS CB . 17827 1 623 . 1 1 68 68 HIS N N 15 121.519 0.25 . 1 . . . A 61 HIS N . 17827 1 624 . 1 1 69 69 ALA H H 1 8.575 0.03 . 1 . . . A 62 ALA H . 17827 1 625 . 1 1 69 69 ALA HB1 H 1 1.430 0.03 . 1 . . . A 62 ALA HB1 . 17827 1 626 . 1 1 69 69 ALA HB2 H 1 1.430 0.03 . 1 . . . A 62 ALA HB2 . 17827 1 627 . 1 1 69 69 ALA HB3 H 1 1.430 0.03 . 1 . . . A 62 ALA HB3 . 17827 1 628 . 1 1 69 69 ALA C C 13 175.294 0.50 . 1 . . . A 62 ALA C . 17827 1 629 . 1 1 69 69 ALA CB C 13 22.470 0.50 . 1 . . . A 62 ALA CB . 17827 1 630 . 1 1 69 69 ALA N N 15 122.256 0.25 . 1 . . . A 62 ALA N . 17827 1 631 . 1 1 70 70 LEU H H 1 9.150 0.03 . 1 . . . A 63 LEU H . 17827 1 632 . 1 1 70 70 LEU HA H 1 5.654 0.03 . 1 . . . A 63 LEU HA . 17827 1 633 . 1 1 70 70 LEU HB2 H 1 2.075 0.03 . 1 . . . A 63 LEU HB2 . 17827 1 634 . 1 1 70 70 LEU HG H 1 1.770 0.03 . 1 . . . A 63 LEU HG . 17827 1 635 . 1 1 70 70 LEU HD11 H 1 0.723 0.03 . 1 . . . A 63 LEU HD11 . 17827 1 636 . 1 1 70 70 LEU HD12 H 1 0.723 0.03 . 1 . . . A 63 LEU HD12 . 17827 1 637 . 1 1 70 70 LEU HD13 H 1 0.723 0.03 . 1 . . . A 63 LEU HD13 . 17827 1 638 . 1 1 70 70 LEU HD21 H 1 0.765 0.03 . 1 . . . A 63 LEU HD21 . 17827 1 639 . 1 1 70 70 LEU HD22 H 1 0.765 0.03 . 1 . . . A 63 LEU HD22 . 17827 1 640 . 1 1 70 70 LEU HD23 H 1 0.765 0.03 . 1 . . . A 63 LEU HD23 . 17827 1 641 . 1 1 70 70 LEU C C 13 174.445 0.50 . 1 . . . A 63 LEU C . 17827 1 642 . 1 1 70 70 LEU CA C 13 53.930 0.50 . 1 . . . A 63 LEU CA . 17827 1 643 . 1 1 70 70 LEU CB C 13 44.300 0.50 . 1 . . . A 63 LEU CB . 17827 1 644 . 1 1 70 70 LEU CG C 13 26.910 0.50 . 1 . . . A 63 LEU CG . 17827 1 645 . 1 1 70 70 LEU CD1 C 13 24.010 0.50 . 1 . . . A 63 LEU CD1 . 17827 1 646 . 1 1 70 70 LEU CD2 C 13 26.130 0.50 . 1 . . . A 63 LEU CD2 . 17827 1 647 . 1 1 70 70 LEU N N 15 118.904 0.25 . 1 . . . A 63 LEU N . 17827 1 648 . 1 1 71 71 TRP H H 1 9.590 0.03 . 1 . . . A 64 TRP H . 17827 1 649 . 1 1 71 71 TRP HB2 H 1 2.575 0.03 . 1 . . . A 64 TRP HB2 . 17827 1 650 . 1 1 71 71 TRP HB3 H 1 2.200 0.03 . 1 . . . A 64 TRP HB3 . 17827 1 651 . 1 1 71 71 TRP HE1 H 1 10.410 0.03 . 1 . . . A 64 TRP HE1 . 17827 1 652 . 1 1 71 71 TRP C C 13 174.010 0.50 . 1 . . . A 64 TRP C . 17827 1 653 . 1 1 71 71 TRP CB C 13 32.210 0.50 . 1 . . . A 64 TRP CB . 17827 1 654 . 1 1 71 71 TRP N N 15 125.367 0.25 . 1 . . . A 64 TRP N . 17827 1 655 . 1 1 71 71 TRP NE1 N 15 128.827 0.25 . 1 . . . A 64 TRP NE1 . 17827 1 656 . 1 1 72 72 TRP H H 1 8.277 0.03 . 1 . . . A 65 TRP H . 17827 1 657 . 1 1 72 72 TRP HA H 1 4.980 0.03 . 1 . . . A 65 TRP HA . 17827 1 658 . 1 1 72 72 TRP HB2 H 1 3.280 0.03 . 1 . . . A 65 TRP HB2 . 17827 1 659 . 1 1 72 72 TRP HB3 H 1 3.220 0.03 . 1 . . . A 65 TRP HB3 . 17827 1 660 . 1 1 72 72 TRP HE1 H 1 10.280 0.03 . 1 . . . A 65 TRP HE1 . 17827 1 661 . 1 1 72 72 TRP C C 13 174.335 0.50 . 1 . . . A 65 TRP C . 17827 1 662 . 1 1 72 72 TRP CA C 13 51.440 0.50 . 1 . . . A 65 TRP CA . 17827 1 663 . 1 1 72 72 TRP CB C 13 30.490 0.50 . 1 . . . A 65 TRP CB . 17827 1 664 . 1 1 72 72 TRP N N 15 129.982 0.25 . 1 . . . A 65 TRP N . 17827 1 665 . 1 1 72 72 TRP NE1 N 15 127.696 0.25 . 1 . . . A 65 TRP NE1 . 17827 1 666 . 1 1 73 73 GLU H H 1 8.969 0.03 . 1 . . . A 66 GLU H . 17827 1 667 . 1 1 73 73 GLU HA H 1 3.300 0.03 . 1 . . . A 66 GLU HA . 17827 1 668 . 1 1 73 73 GLU HB2 H 1 2.160 0.03 . 1 . . . A 66 GLU HB2 . 17827 1 669 . 1 1 73 73 GLU HG2 H 1 2.190 0.03 . 1 . . . A 66 GLU HG2 . 17827 1 670 . 1 1 73 73 GLU HG3 H 1 2.270 0.03 . 1 . . . A 66 GLU HG3 . 17827 1 671 . 1 1 73 73 GLU C C 13 178.595 0.50 . 1 . . . A 66 GLU C . 17827 1 672 . 1 1 73 73 GLU CA C 13 59.920 0.50 . 1 . . . A 66 GLU CA . 17827 1 673 . 1 1 73 73 GLU CB C 13 29.060 0.50 . 1 . . . A 66 GLU CB . 17827 1 674 . 1 1 73 73 GLU CG C 13 35.110 0.50 . 1 . . . A 66 GLU CG . 17827 1 675 . 1 1 73 73 GLU N N 15 129.112 0.25 . 1 . . . A 66 GLU N . 17827 1 676 . 1 1 74 74 LYS H H 1 7.860 0.03 . 1 . . . A 67 LYS H . 17827 1 677 . 1 1 74 74 LYS HA H 1 3.702 0.03 . 1 . . . A 67 LYS HA . 17827 1 678 . 1 1 74 74 LYS HB2 H 1 1.759 0.03 . 1 . . . A 67 LYS HB2 . 17827 1 679 . 1 1 74 74 LYS HG2 H 1 1.033 0.03 . 1 . . . A 67 LYS HG2 . 17827 1 680 . 1 1 74 74 LYS HD2 H 1 1.240 0.03 . 1 . . . A 67 LYS HD2 . 17827 1 681 . 1 1 74 74 LYS HE2 H 1 2.870 0.03 . 1 . . . A 67 LYS HE2 . 17827 1 682 . 1 1 74 74 LYS C C 13 176.361 0.50 . 1 . . . A 67 LYS C . 17827 1 683 . 1 1 74 74 LYS CA C 13 58.660 0.50 . 1 . . . A 67 LYS CA . 17827 1 684 . 1 1 74 74 LYS CB C 13 32.020 0.50 . 1 . . . A 67 LYS CB . 17827 1 685 . 1 1 74 74 LYS CG C 13 24.550 0.50 . 1 . . . A 67 LYS CG . 17827 1 686 . 1 1 74 74 LYS CD C 13 24.550 0.50 . 1 . . . A 67 LYS CD . 17827 1 687 . 1 1 74 74 LYS CE C 13 41.480 0.50 . 1 . . . A 67 LYS CE . 17827 1 688 . 1 1 74 74 LYS N N 15 117.492 0.25 . 1 . . . A 67 LYS N . 17827 1 689 . 1 1 75 75 LYS H H 1 7.500 0.03 . 1 . . . A 68 LYS H . 17827 1 690 . 1 1 75 75 LYS HA H 1 3.935 0.03 . 1 . . . A 68 LYS HA . 17827 1 691 . 1 1 75 75 LYS HB2 H 1 1.410 0.03 . 1 . . . A 68 LYS HB2 . 17827 1 692 . 1 1 75 75 LYS HG2 H 1 -0.120 0.03 . 1 . . . A 68 LYS HG2 . 17827 1 693 . 1 1 75 75 LYS HG3 H 1 -0.050 0.03 . 1 . . . A 68 LYS HG3 . 17827 1 694 . 1 1 75 75 LYS HD2 H 1 1.030 0.03 . 1 . . . A 68 LYS HD2 . 17827 1 695 . 1 1 75 75 LYS HE2 H 1 2.560 0.03 . 1 . . . A 68 LYS HE2 . 17827 1 696 . 1 1 75 75 LYS HE3 H 1 2.525 0.03 . 1 . . . A 68 LYS HE3 . 17827 1 697 . 1 1 75 75 LYS C C 13 174.183 0.50 . 1 . . . A 68 LYS C . 17827 1 698 . 1 1 75 75 LYS CA C 13 53.400 0.50 . 1 . . . A 68 LYS CA . 17827 1 699 . 1 1 75 75 LYS CB C 13 32.200 0.50 . 1 . . . A 68 LYS CB . 17827 1 700 . 1 1 75 75 LYS CG C 13 23.850 0.50 . 1 . . . A 68 LYS CG . 17827 1 701 . 1 1 75 75 LYS CD C 13 27.700 0.50 . 1 . . . A 68 LYS CD . 17827 1 702 . 1 1 75 75 LYS CE C 13 41.600 0.50 . 1 . . . A 68 LYS CE . 17827 1 703 . 1 1 75 75 LYS N N 15 121.233 0.25 . 1 . . . A 68 LYS N . 17827 1 704 . 1 1 76 76 ARG H H 1 7.500 0.03 . 1 . . . A 69 ARG H . 17827 1 705 . 1 1 76 76 ARG HA H 1 2.890 0.03 . 1 . . . A 69 ARG HA . 17827 1 706 . 1 1 76 76 ARG HB2 H 1 1.845 0.03 . 1 . . . A 69 ARG HB2 . 17827 1 707 . 1 1 76 76 ARG HB3 H 1 1.560 0.03 . 1 . . . A 69 ARG HB3 . 17827 1 708 . 1 1 76 76 ARG HD2 H 1 3.215 0.03 . 1 . . . A 69 ARG HD2 . 17827 1 709 . 1 1 76 76 ARG C C 13 173.984 0.50 . 1 . . . A 69 ARG C . 17827 1 710 . 1 1 76 76 ARG CA C 13 56.316 0.50 . 1 . . . A 69 ARG CA . 17827 1 711 . 1 1 76 76 ARG CB C 13 27.090 0.50 . 1 . . . A 69 ARG CB . 17827 1 712 . 1 1 76 76 ARG CD C 13 43.120 0.50 . 1 . . . A 69 ARG CD . 17827 1 713 . 1 1 76 76 ARG N N 15 121.125 0.25 . 1 . . . A 69 ARG N . 17827 1 714 . 1 1 77 77 THR H H 1 6.280 0.03 . 1 . . . A 70 THR H . 17827 1 715 . 1 1 77 77 THR HA H 1 4.650 0.03 . 1 . . . A 70 THR HA . 17827 1 716 . 1 1 77 77 THR HB H 1 3.590 0.03 . 1 . . . A 70 THR HB . 17827 1 717 . 1 1 77 77 THR HG21 H 1 1.130 0.03 . 1 . . . A 70 THR HG21 . 17827 1 718 . 1 1 77 77 THR HG22 H 1 1.130 0.03 . 1 . . . A 70 THR HG22 . 17827 1 719 . 1 1 77 77 THR HG23 H 1 1.130 0.03 . 1 . . . A 70 THR HG23 . 17827 1 720 . 1 1 77 77 THR C C 13 171.846 0.50 . 1 . . . A 70 THR C . 17827 1 721 . 1 1 77 77 THR CA C 13 61.630 0.50 . 1 . . . A 70 THR CA . 17827 1 722 . 1 1 77 77 THR CB C 13 72.210 0.50 . 1 . . . A 70 THR CB . 17827 1 723 . 1 1 77 77 THR CG2 C 13 20.190 0.50 . 1 . . . A 70 THR CG2 . 17827 1 724 . 1 1 77 77 THR N N 15 110.478 0.25 . 1 . . . A 70 THR N . 17827 1 725 . 1 1 78 78 TRP H H 1 8.795 0.03 . 1 . . . A 71 TRP H . 17827 1 726 . 1 1 78 78 TRP HA H 1 4.750 0.03 . 1 . . . A 71 TRP HA . 17827 1 727 . 1 1 78 78 TRP HB2 H 1 3.222 0.03 . 1 . . . A 71 TRP HB2 . 17827 1 728 . 1 1 78 78 TRP HB3 H 1 3.135 0.03 . 1 . . . A 71 TRP HB3 . 17827 1 729 . 1 1 78 78 TRP HE1 H 1 10.020 0.03 . 1 . . . A 71 TRP HE1 . 17827 1 730 . 1 1 78 78 TRP C C 13 177.303 0.50 . 1 . . . A 71 TRP C . 17827 1 731 . 1 1 78 78 TRP CA C 13 56.240 0.50 . 1 . . . A 71 TRP CA . 17827 1 732 . 1 1 78 78 TRP CB C 13 30.500 0.50 . 1 . . . A 71 TRP CB . 17827 1 733 . 1 1 78 78 TRP N N 15 127.244 0.25 . 1 . . . A 71 TRP N . 17827 1 734 . 1 1 78 78 TRP NE1 N 15 130.413 0.25 . 1 . . . A 71 TRP NE1 . 17827 1 735 . 1 1 79 79 LEU H H 1 9.175 0.03 . 1 . . . A 72 LEU H . 17827 1 736 . 1 1 79 79 LEU HA H 1 4.500 0.03 . 1 . . . A 72 LEU HA . 17827 1 737 . 1 1 79 79 LEU HB2 H 1 1.910 0.03 . 1 . . . A 72 LEU HB2 . 17827 1 738 . 1 1 79 79 LEU HG H 1 1.256 0.03 . 1 . . . A 72 LEU HG . 17827 1 739 . 1 1 79 79 LEU HD11 H 1 0.427 0.03 . 1 . . . A 72 LEU HD11 . 17827 1 740 . 1 1 79 79 LEU HD12 H 1 0.427 0.03 . 1 . . . A 72 LEU HD12 . 17827 1 741 . 1 1 79 79 LEU HD13 H 1 0.427 0.03 . 1 . . . A 72 LEU HD13 . 17827 1 742 . 1 1 79 79 LEU HD21 H 1 0.030 0.03 . 1 . . . A 72 LEU HD21 . 17827 1 743 . 1 1 79 79 LEU HD22 H 1 0.030 0.03 . 1 . . . A 72 LEU HD22 . 17827 1 744 . 1 1 79 79 LEU HD23 H 1 0.030 0.03 . 1 . . . A 72 LEU HD23 . 17827 1 745 . 1 1 79 79 LEU C C 13 175.667 0.50 . 1 . . . A 72 LEU C . 17827 1 746 . 1 1 79 79 LEU CA C 13 52.510 0.50 . 1 . . . A 72 LEU CA . 17827 1 747 . 1 1 79 79 LEU CB C 13 38.240 0.50 . 1 . . . A 72 LEU CB . 17827 1 748 . 1 1 79 79 LEU CG C 13 25.220 0.50 . 1 . . . A 72 LEU CG . 17827 1 749 . 1 1 79 79 LEU CD1 C 13 27.100 0.50 . 1 . . . A 72 LEU CD1 . 17827 1 750 . 1 1 79 79 LEU CD2 C 13 21.850 0.50 . 1 . . . A 72 LEU CD2 . 17827 1 751 . 1 1 79 79 LEU N N 15 125.202 0.25 . 1 . . . A 72 LEU N . 17827 1 752 . 1 1 80 80 LEU H H 1 7.280 0.03 . 1 . . . A 73 LEU H . 17827 1 753 . 1 1 80 80 LEU HA H 1 4.380 0.03 . 1 . . . A 73 LEU HA . 17827 1 754 . 1 1 80 80 LEU HB2 H 1 1.670 0.03 . 1 . . . A 73 LEU HB2 . 17827 1 755 . 1 1 80 80 LEU HD11 H 1 0.840 0.03 . 1 . . . A 73 LEU HD11 . 17827 1 756 . 1 1 80 80 LEU HD12 H 1 0.840 0.03 . 1 . . . A 73 LEU HD12 . 17827 1 757 . 1 1 80 80 LEU HD13 H 1 0.840 0.03 . 1 . . . A 73 LEU HD13 . 17827 1 758 . 1 1 80 80 LEU HD21 H 1 0.720 0.03 . 1 . . . A 73 LEU HD21 . 17827 1 759 . 1 1 80 80 LEU HD22 H 1 0.720 0.03 . 1 . . . A 73 LEU HD22 . 17827 1 760 . 1 1 80 80 LEU HD23 H 1 0.720 0.03 . 1 . . . A 73 LEU HD23 . 17827 1 761 . 1 1 80 80 LEU C C 13 178.139 0.50 . 1 . . . A 73 LEU C . 17827 1 762 . 1 1 80 80 LEU CA C 13 54.700 0.50 . 1 . . . A 73 LEU CA . 17827 1 763 . 1 1 80 80 LEU CB C 13 42.170 0.50 . 1 . . . A 73 LEU CB . 17827 1 764 . 1 1 80 80 LEU CD1 C 13 25.100 0.50 . 1 . . . A 73 LEU CD1 . 17827 1 765 . 1 1 80 80 LEU CD2 C 13 21.770 0.50 . 1 . . . A 73 LEU CD2 . 17827 1 766 . 1 1 80 80 LEU N N 15 119.170 0.25 . 1 . . . A 73 LEU N . 17827 1 767 . 1 1 81 81 LYS H H 1 7.865 0.03 . 1 . . . A 74 LYS H . 17827 1 768 . 1 1 81 81 LYS HA H 1 4.435 0.03 . 1 . . . A 74 LYS HA . 17827 1 769 . 1 1 81 81 LYS HB2 H 1 1.325 0.03 . 1 . . . A 74 LYS HB2 . 17827 1 770 . 1 1 81 81 LYS HG2 H 1 0.810 0.03 . 1 . . . A 74 LYS HG2 . 17827 1 771 . 1 1 81 81 LYS HG3 H 1 0.370 0.03 . 1 . . . A 74 LYS HG3 . 17827 1 772 . 1 1 81 81 LYS HD2 H 1 0.570 0.03 . 1 . . . A 74 LYS HD2 . 17827 1 773 . 1 1 81 81 LYS HD3 H 1 0.105 0.03 . 1 . . . A 74 LYS HD3 . 17827 1 774 . 1 1 81 81 LYS HE2 H 1 2.445 0.03 . 1 . . . A 74 LYS HE2 . 17827 1 775 . 1 1 81 81 LYS HE3 H 1 2.515 0.03 . 1 . . . A 74 LYS HE3 . 17827 1 776 . 1 1 81 81 LYS C C 13 176.601 0.50 . 1 . . . A 74 LYS C . 17827 1 777 . 1 1 81 81 LYS CA C 13 54.660 0.50 . 1 . . . A 74 LYS CA . 17827 1 778 . 1 1 81 81 LYS CB C 13 28.540 0.50 . 1 . . . A 74 LYS CB . 17827 1 779 . 1 1 81 81 LYS CG C 13 23.470 0.50 . 1 . . . A 74 LYS CG . 17827 1 780 . 1 1 81 81 LYS CD C 13 27.900 0.50 . 1 . . . A 74 LYS CD . 17827 1 781 . 1 1 81 81 LYS CE C 13 42.020 0.50 . 1 . . . A 74 LYS CE . 17827 1 782 . 1 1 81 81 LYS N N 15 119.766 0.25 . 1 . . . A 74 LYS N . 17827 1 783 . 1 1 82 82 THR H H 1 7.910 0.03 . 1 . . . A 75 THR H . 17827 1 784 . 1 1 82 82 THR HA H 1 3.800 0.03 . 1 . . . A 75 THR HA . 17827 1 785 . 1 1 82 82 THR HB H 1 4.165 0.03 . 1 . . . A 75 THR HB . 17827 1 786 . 1 1 82 82 THR HG21 H 1 1.305 0.03 . 1 . . . A 75 THR HG21 . 17827 1 787 . 1 1 82 82 THR HG22 H 1 1.305 0.03 . 1 . . . A 75 THR HG22 . 17827 1 788 . 1 1 82 82 THR HG23 H 1 1.305 0.03 . 1 . . . A 75 THR HG23 . 17827 1 789 . 1 1 82 82 THR C C 13 174.806 0.50 . 1 . . . A 75 THR C . 17827 1 790 . 1 1 82 82 THR CA C 13 64.650 0.50 . 1 . . . A 75 THR CA . 17827 1 791 . 1 1 82 82 THR CB C 13 68.260 0.50 . 1 . . . A 75 THR CB . 17827 1 792 . 1 1 82 82 THR CG2 C 13 22.370 0.50 . 1 . . . A 75 THR CG2 . 17827 1 793 . 1 1 82 82 THR N N 15 115.636 0.25 . 1 . . . A 75 THR N . 17827 1 794 . 1 1 83 83 HIS H H 1 8.965 0.03 . 1 . . . A 76 HIS H . 17827 1 795 . 1 1 83 83 HIS HB2 H 1 3.310 0.03 . 1 . . . A 76 HIS HB2 . 17827 1 796 . 1 1 83 83 HIS HB3 H 1 3.295 0.03 . 1 . . . A 76 HIS HB3 . 17827 1 797 . 1 1 83 83 HIS C C 13 176.370 0.50 . 1 . . . A 76 HIS C . 17827 1 798 . 1 1 83 83 HIS CB C 13 30.210 0.50 . 1 . . . A 76 HIS CB . 17827 1 799 . 1 1 83 83 HIS N N 15 116.767 0.25 . 1 . . . A 76 HIS N . 17827 1 800 . 1 1 84 84 TRP H H 1 7.635 0.03 . 1 . . . A 77 TRP H . 17827 1 801 . 1 1 84 84 TRP HB2 H 1 3.430 0.03 . 1 . . . A 77 TRP HB2 . 17827 1 802 . 1 1 84 84 TRP HB3 H 1 2.950 0.03 . 1 . . . A 77 TRP HB3 . 17827 1 803 . 1 1 84 84 TRP HE1 H 1 10.180 0.03 . 1 . . . A 77 TRP HE1 . 17827 1 804 . 1 1 84 84 TRP C C 13 175.584 0.50 . 1 . . . A 77 TRP C . 17827 1 805 . 1 1 84 84 TRP CB C 13 30.390 0.50 . 1 . . . A 77 TRP CB . 17827 1 806 . 1 1 84 84 TRP N N 15 123.905 0.25 . 1 . . . A 77 TRP N . 17827 1 807 . 1 1 84 84 TRP NE1 N 15 127.468 0.25 . 1 . . . A 77 TRP NE1 . 17827 1 808 . 1 1 85 85 THR H H 1 7.030 0.03 . 1 . . . A 78 THR H . 17827 1 809 . 1 1 85 85 THR HA H 1 4.900 0.03 . 1 . . . A 78 THR HA . 17827 1 810 . 1 1 85 85 THR HB H 1 5.000 0.03 . 1 . . . A 78 THR HB . 17827 1 811 . 1 1 85 85 THR HG21 H 1 1.130 0.03 . 1 . . . A 78 THR HG21 . 17827 1 812 . 1 1 85 85 THR HG22 H 1 1.130 0.03 . 1 . . . A 78 THR HG22 . 17827 1 813 . 1 1 85 85 THR HG23 H 1 1.130 0.03 . 1 . . . A 78 THR HG23 . 17827 1 814 . 1 1 85 85 THR C C 13 175.691 0.50 . 1 . . . A 78 THR C . 17827 1 815 . 1 1 85 85 THR CA C 13 59.500 0.50 . 1 . . . A 78 THR CA . 17827 1 816 . 1 1 85 85 THR CB C 13 70.600 0.50 . 1 . . . A 78 THR CB . 17827 1 817 . 1 1 85 85 THR CG2 C 13 22.230 0.50 . 1 . . . A 78 THR CG2 . 17827 1 818 . 1 1 85 85 THR N N 15 108.440 0.25 . 1 . . . A 78 THR N . 17827 1 819 . 1 1 86 86 LEU H H 1 8.045 0.03 . 1 . . . A 79 LEU H . 17827 1 820 . 1 1 86 86 LEU HA H 1 4.040 0.03 . 1 . . . A 79 LEU HA . 17827 1 821 . 1 1 86 86 LEU HB2 H 1 2.060 0.03 . 1 . . . A 79 LEU HB2 . 17827 1 822 . 1 1 86 86 LEU HG H 1 1.760 0.03 . 1 . . . A 79 LEU HG . 17827 1 823 . 1 1 86 86 LEU HD11 H 1 0.570 0.03 . 1 . . . A 79 LEU HD11 . 17827 1 824 . 1 1 86 86 LEU HD12 H 1 0.570 0.03 . 1 . . . A 79 LEU HD12 . 17827 1 825 . 1 1 86 86 LEU HD13 H 1 0.570 0.03 . 1 . . . A 79 LEU HD13 . 17827 1 826 . 1 1 86 86 LEU HD21 H 1 0.630 0.03 . 1 . . . A 79 LEU HD21 . 17827 1 827 . 1 1 86 86 LEU HD22 H 1 0.630 0.03 . 1 . . . A 79 LEU HD22 . 17827 1 828 . 1 1 86 86 LEU HD23 H 1 0.630 0.03 . 1 . . . A 79 LEU HD23 . 17827 1 829 . 1 1 86 86 LEU C C 13 179.734 0.50 . 1 . . . A 79 LEU C . 17827 1 830 . 1 1 86 86 LEU CA C 13 58.750 0.50 . 1 . . . A 79 LEU CA . 17827 1 831 . 1 1 86 86 LEU CB C 13 40.450 0.50 . 1 . . . A 79 LEU CB . 17827 1 832 . 1 1 86 86 LEU CG C 13 26.680 0.50 . 1 . . . A 79 LEU CG . 17827 1 833 . 1 1 86 86 LEU CD1 C 13 22.950 0.50 . 1 . . . A 79 LEU CD1 . 17827 1 834 . 1 1 86 86 LEU CD2 C 13 26.310 0.50 . 1 . . . A 79 LEU CD2 . 17827 1 835 . 1 1 86 86 LEU N N 15 119.766 0.25 . 1 . . . A 79 LEU N . 17827 1 836 . 1 1 87 87 ASP H H 1 8.935 0.03 . 1 . . . A 80 ASP H . 17827 1 837 . 1 1 87 87 ASP HA H 1 4.440 0.03 . 1 . . . A 80 ASP HA . 17827 1 838 . 1 1 87 87 ASP HB2 H 1 2.465 0.03 . 1 . . . A 80 ASP HB2 . 17827 1 839 . 1 1 87 87 ASP HB3 H 1 2.400 0.03 . 1 . . . A 80 ASP HB3 . 17827 1 840 . 1 1 87 87 ASP C C 13 179.152 0.50 . 1 . . . A 80 ASP C . 17827 1 841 . 1 1 87 87 ASP CA C 13 57.320 0.50 . 1 . . . A 80 ASP CA . 17827 1 842 . 1 1 87 87 ASP CB C 13 40.320 0.50 . 1 . . . A 80 ASP CB . 17827 1 843 . 1 1 87 87 ASP N N 15 118.407 0.25 . 1 . . . A 80 ASP N . 17827 1 844 . 1 1 88 88 LYS H H 1 8.055 0.03 . 1 . . . A 81 LYS H . 17827 1 845 . 1 1 88 88 LYS HA H 1 3.700 0.03 . 1 . . . A 81 LYS HA . 17827 1 846 . 1 1 88 88 LYS HB2 H 1 1.75 0.03 . 1 . . . A 81 LYS HB2 . 17827 1 847 . 1 1 88 88 LYS HG2 H 1 1.22 0.03 . 1 . . . A 81 LYS HG2 . 17827 1 848 . 1 1 88 88 LYS HG3 H 1 1.03 0.03 . 1 . . . A 81 LYS HG3 . 17827 1 849 . 1 1 88 88 LYS HD2 H 1 1.5 0.03 . 1 . . . A 81 LYS HD2 . 17827 1 850 . 1 1 88 88 LYS HE2 H 1 2.940 0.03 . 1 . . . A 81 LYS HE2 . 17827 1 851 . 1 1 88 88 LYS C C 13 178.721 0.50 . 1 . . . A 81 LYS C . 17827 1 852 . 1 1 88 88 LYS CA C 13 59.020 0.50 . 1 . . . A 81 LYS CA . 17827 1 853 . 1 1 88 88 LYS CB C 13 31.640 0.50 . 1 . . . A 81 LYS CB . 17827 1 854 . 1 1 88 88 LYS CG C 13 24.100 0.50 . 1 . . . A 81 LYS CG . 17827 1 855 . 1 1 88 88 LYS CD C 13 29.0 0.50 . 1 . . . A 81 LYS CD . 17827 1 856 . 1 1 88 88 LYS CE C 13 42.000 0.50 . 1 . . . A 81 LYS CE . 17827 1 857 . 1 1 88 88 LYS N N 15 123.300 0.25 . 1 . . . A 81 LYS N . 17827 1 858 . 1 1 89 89 TYR H H 1 7.730 0.03 . 1 . . . A 82 TYR H . 17827 1 859 . 1 1 89 89 TYR HA H 1 4.580 0.03 . 1 . . . A 82 TYR HA . 17827 1 860 . 1 1 89 89 TYR HB2 H 1 3.260 0.03 . 1 . . . A 82 TYR HB2 . 17827 1 861 . 1 1 89 89 TYR HB3 H 1 2.790 0.03 . 1 . . . A 82 TYR HB3 . 17827 1 862 . 1 1 89 89 TYR C C 13 176.164 0.50 . 1 . . . A 82 TYR C . 17827 1 863 . 1 1 89 89 TYR CA C 13 61.750 0.50 . 1 . . . A 82 TYR CA . 17827 1 864 . 1 1 89 89 TYR CB C 13 40.750 0.50 . 1 . . . A 82 TYR CB . 17827 1 865 . 1 1 89 89 TYR N N 15 115.690 0.25 . 1 . . . A 82 TYR N . 17827 1 866 . 1 1 90 90 GLY H H 1 8.030 0.03 . 1 . . . A 83 GLY H . 17827 1 867 . 1 1 90 90 GLY HA2 H 1 4.240 0.03 . 1 . . . A 83 GLY HA2 . 17827 1 868 . 1 1 90 90 GLY HA3 H 1 3.840 0.03 . 1 . . . A 83 GLY HA3 . 17827 1 869 . 1 1 90 90 GLY C C 13 174.555 0.50 . 1 . . . A 83 GLY C . 17827 1 870 . 1 1 90 90 GLY CA C 13 45.510 0.50 . 1 . . . A 83 GLY CA . 17827 1 871 . 1 1 90 90 GLY N N 15 108.212 0.25 . 1 . . . A 83 GLY N . 17827 1 872 . 1 1 91 91 ILE H H 1 7.850 0.03 . 1 . . . A 84 ILE H . 17827 1 873 . 1 1 91 91 ILE HA H 1 3.370 0.03 . 1 . . . A 84 ILE HA . 17827 1 874 . 1 1 91 91 ILE HB H 1 1.470 0.03 . 1 . . . A 84 ILE HB . 17827 1 875 . 1 1 91 91 ILE HG12 H 1 0.825 0.03 . 1 . . . A 84 ILE HG12 . 17827 1 876 . 1 1 91 91 ILE HG13 H 1 -0.560 0.03 . 1 . . . A 84 ILE HG13 . 17827 1 877 . 1 1 91 91 ILE HG21 H 1 0.525 0.03 . 1 . . . A 84 ILE HG21 . 17827 1 878 . 1 1 91 91 ILE HG22 H 1 0.525 0.03 . 1 . . . A 84 ILE HG22 . 17827 1 879 . 1 1 91 91 ILE HG23 H 1 0.525 0.03 . 1 . . . A 84 ILE HG23 . 17827 1 880 . 1 1 91 91 ILE HD11 H 1 0.010 0.03 . 1 . . . A 84 ILE HD11 . 17827 1 881 . 1 1 91 91 ILE HD12 H 1 0.010 0.03 . 1 . . . A 84 ILE HD12 . 17827 1 882 . 1 1 91 91 ILE HD13 H 1 0.010 0.03 . 1 . . . A 84 ILE HD13 . 17827 1 883 . 1 1 91 91 ILE C C 13 173.611 0.50 . 1 . . . A 84 ILE C . 17827 1 884 . 1 1 91 91 ILE CA C 13 61.700 0.50 . 1 . . . A 84 ILE CA . 17827 1 885 . 1 1 91 91 ILE CB C 13 37.610 0.50 . 1 . . . A 84 ILE CB . 17827 1 886 . 1 1 91 91 ILE CG1 C 13 27.700 0.50 . 1 . . . A 84 ILE CG1 . 17827 1 887 . 1 1 91 91 ILE CG2 C 13 17.900 0.50 . 1 . . . A 84 ILE CG2 . 17827 1 888 . 1 1 91 91 ILE CD1 C 13 14.000 0.50 . 1 . . . A 84 ILE CD1 . 17827 1 889 . 1 1 91 91 ILE N N 15 122.960 0.25 . 1 . . . A 84 ILE N . 17827 1 890 . 1 1 92 92 GLN H H 1 7.700 0.03 . 1 . . . A 85 GLN H . 17827 1 891 . 1 1 92 92 GLN HA H 1 3.880 0.03 . 1 . . . A 85 GLN HA . 17827 1 892 . 1 1 92 92 GLN HB2 H 1 1.770 0.03 . 1 . . . A 85 GLN HB2 . 17827 1 893 . 1 1 92 92 GLN HG2 H 1 2.050 0.03 . 1 . . . A 85 GLN HG2 . 17827 1 894 . 1 1 92 92 GLN HE21 H 1 7.420 0.03 . 1 . . . A 85 GLN HE21 . 17827 1 895 . 1 1 92 92 GLN HE22 H 1 6.640 0.03 . 1 . . . A 85 GLN HE22 . 17827 1 896 . 1 1 92 92 GLN C C 13 174.756 0.50 . 1 . . . A 85 GLN C . 17827 1 897 . 1 1 92 92 GLN CA C 13 53.720 0.50 . 1 . . . A 85 GLN CA . 17827 1 898 . 1 1 92 92 GLN CB C 13 31.150 0.50 . 1 . . . A 85 GLN CB . 17827 1 899 . 1 1 92 92 GLN CG C 13 33.840 0.50 . 1 . . . A 85 GLN CG . 17827 1 900 . 1 1 92 92 GLN N N 15 125.429 0.25 . 1 . . . A 85 GLN N . 17827 1 901 . 1 1 92 92 GLN NE2 N 15 112.280 0.25 . 1 . . . A 85 GLN NE2 . 17827 1 902 . 1 1 93 93 ALA H H 1 6.886 0.03 . 1 . . . A 86 ALA H . 17827 1 903 . 1 1 93 93 ALA HA H 1 3.800 0.03 . 1 . . . A 86 ALA HA . 17827 1 904 . 1 1 93 93 ALA HB1 H 1 1.085 0.03 . 1 . . . A 86 ALA HB1 . 17827 1 905 . 1 1 93 93 ALA HB2 H 1 1.085 0.03 . 1 . . . A 86 ALA HB2 . 17827 1 906 . 1 1 93 93 ALA HB3 H 1 1.085 0.03 . 1 . . . A 86 ALA HB3 . 17827 1 907 . 1 1 93 93 ALA C C 13 177.201 0.50 . 1 . . . A 86 ALA C . 17827 1 908 . 1 1 93 93 ALA CA C 13 54.080 0.50 . 1 . . . A 86 ALA CA . 17827 1 909 . 1 1 93 93 ALA CB C 13 18.410 0.50 . 1 . . . A 86 ALA CB . 17827 1 910 . 1 1 93 93 ALA N N 15 118.217 0.25 . 1 . . . A 86 ALA N . 17827 1 911 . 1 1 94 94 ASP H H 1 8.223 0.03 . 1 . . . A 87 ASP H . 17827 1 912 . 1 1 94 94 ASP HA H 1 4.420 0.03 . 1 . . . A 87 ASP HA . 17827 1 913 . 1 1 94 94 ASP HB2 H 1 2.795 0.03 . 1 . . . A 87 ASP HB2 . 17827 1 914 . 1 1 94 94 ASP HB3 H 1 2.560 0.03 . 1 . . . A 87 ASP HB3 . 17827 1 915 . 1 1 94 94 ASP C C 13 176.218 0.50 . 1 . . . A 87 ASP C . 17827 1 916 . 1 1 94 94 ASP CA C 13 54.060 0.50 . 1 . . . A 87 ASP CA . 17827 1 917 . 1 1 94 94 ASP CB C 13 39.600 0.50 . 1 . . . A 87 ASP CB . 17827 1 918 . 1 1 94 94 ASP N N 15 113.647 0.25 . 1 . . . A 87 ASP N . 17827 1 919 . 1 1 95 95 ALA H H 1 7.941 0.03 . 1 . . . A 88 ALA H . 17827 1 920 . 1 1 95 95 ALA HA H 1 4.306 0.03 . 1 . . . A 88 ALA HA . 17827 1 921 . 1 1 95 95 ALA HB1 H 1 1.275 0.03 . 1 . . . A 88 ALA HB1 . 17827 1 922 . 1 1 95 95 ALA HB2 H 1 1.275 0.03 . 1 . . . A 88 ALA HB2 . 17827 1 923 . 1 1 95 95 ALA HB3 H 1 1.275 0.03 . 1 . . . A 88 ALA HB3 . 17827 1 924 . 1 1 95 95 ALA C C 13 176.630 0.50 . 1 . . . A 88 ALA C . 17827 1 925 . 1 1 95 95 ALA CA C 13 53.320 0.50 . 1 . . . A 88 ALA CA . 17827 1 926 . 1 1 95 95 ALA CB C 13 20.020 0.50 . 1 . . . A 88 ALA CB . 17827 1 927 . 1 1 95 95 ALA N N 15 124.145 0.25 . 1 . . . A 88 ALA N . 17827 1 928 . 1 1 96 96 LYS H H 1 8.500 0.03 . 1 . . . A 89 LYS H . 17827 1 929 . 1 1 96 96 LYS HA H 1 4.826 0.03 . 1 . . . A 89 LYS HA . 17827 1 930 . 1 1 96 96 LYS HB2 H 1 1.920 0.03 . 1 . . . A 89 LYS HB2 . 17827 1 931 . 1 1 96 96 LYS HB3 H 1 1.810 0.03 . 1 . . . A 89 LYS HB3 . 17827 1 932 . 1 1 96 96 LYS HG2 H 1 1.480 0.03 . 1 . . . A 89 LYS HG2 . 17827 1 933 . 1 1 96 96 LYS HD2 H 1 1.680 0.03 . 1 . . . A 89 LYS HD2 . 17827 1 934 . 1 1 96 96 LYS HE2 H 1 2.950 0.03 . 1 . . . A 89 LYS HE2 . 17827 1 935 . 1 1 96 96 LYS C C 13 176.161 0.50 . 1 . . . A 89 LYS C . 17827 1 936 . 1 1 96 96 LYS CA C 13 54.736 0.50 . 1 . . . A 89 LYS CA . 17827 1 937 . 1 1 96 96 LYS CB C 13 32.390 0.50 . 1 . . . A 89 LYS CB . 17827 1 938 . 1 1 96 96 LYS CG C 13 24.140 0.50 . 1 . . . A 89 LYS CG . 17827 1 939 . 1 1 96 96 LYS CD C 13 28.780 0.50 . 1 . . . A 89 LYS CD . 17827 1 940 . 1 1 96 96 LYS CE C 13 42.000 0.50 . 1 . . . A 89 LYS CE . 17827 1 941 . 1 1 96 96 LYS N N 15 120.897 0.25 . 1 . . . A 89 LYS N . 17827 1 942 . 1 1 97 97 LEU H H 1 8.566 0.03 . 1 . . . A 90 LEU H . 17827 1 943 . 1 1 97 97 LEU HA H 1 5.075 0.03 . 1 . . . A 90 LEU HA . 17827 1 944 . 1 1 97 97 LEU HB2 H 1 1.770 0.03 . 1 . . . A 90 LEU HB2 . 17827 1 945 . 1 1 97 97 LEU HB3 H 1 1.270 0.03 . 1 . . . A 90 LEU HB3 . 17827 1 946 . 1 1 97 97 LEU HG H 1 1.420 0.03 . 1 . . . A 90 LEU HG . 17827 1 947 . 1 1 97 97 LEU HD11 H 1 0.530 0.03 . 1 . . . A 90 LEU HD11 . 17827 1 948 . 1 1 97 97 LEU HD12 H 1 0.530 0.03 . 1 . . . A 90 LEU HD12 . 17827 1 949 . 1 1 97 97 LEU HD13 H 1 0.530 0.03 . 1 . . . A 90 LEU HD13 . 17827 1 950 . 1 1 97 97 LEU HD21 H 1 0.290 0.03 . 1 . . . A 90 LEU HD21 . 17827 1 951 . 1 1 97 97 LEU HD22 H 1 0.290 0.03 . 1 . . . A 90 LEU HD22 . 17827 1 952 . 1 1 97 97 LEU HD23 H 1 0.290 0.03 . 1 . . . A 90 LEU HD23 . 17827 1 953 . 1 1 97 97 LEU C C 13 176.394 0.50 . 1 . . . A 90 LEU C . 17827 1 954 . 1 1 97 97 LEU CA C 13 53.060 0.50 . 1 . . . A 90 LEU CA . 17827 1 955 . 1 1 97 97 LEU CB C 13 44.850 0.50 . 1 . . . A 90 LEU CB . 17827 1 956 . 1 1 97 97 LEU CG C 13 26.880 0.50 . 1 . . . A 90 LEU CG . 17827 1 957 . 1 1 97 97 LEU CD1 C 13 25.500 0.50 . 1 . . . A 90 LEU CD1 . 17827 1 958 . 1 1 97 97 LEU CD2 C 13 22.000 0.50 . 1 . . . A 90 LEU CD2 . 17827 1 959 . 1 1 97 97 LEU N N 15 122.960 0.25 . 1 . . . A 90 LEU N . 17827 1 960 . 1 1 98 98 GLN H H 1 9.060 0.03 . 1 . . . A 91 GLN H . 17827 1 961 . 1 1 98 98 GLN HA H 1 5.710 0.03 . 1 . . . A 91 GLN HA . 17827 1 962 . 1 1 98 98 GLN HB2 H 1 2.280 0.03 . 1 . . . A 91 GLN HB2 . 17827 1 963 . 1 1 98 98 GLN HB3 H 1 2.225 0.03 . 1 . . . A 91 GLN HB3 . 17827 1 964 . 1 1 98 98 GLN HG2 H 1 2.500 0.03 . 1 . . . A 91 GLN HG2 . 17827 1 965 . 1 1 98 98 GLN HG3 H 1 2.720 0.03 . 1 . . . A 91 GLN HG3 . 17827 1 966 . 1 1 98 98 GLN HE21 H 1 7.570 0.03 . 1 . . . A 91 GLN HE21 . 17827 1 967 . 1 1 98 98 GLN HE22 H 1 6.870 0.03 . 1 . . . A 91 GLN HE22 . 17827 1 968 . 1 1 98 98 GLN C C 13 174.144 0.50 . 1 . . . A 91 GLN C . 17827 1 969 . 1 1 98 98 GLN CA C 13 54.360 0.50 . 1 . . . A 91 GLN CA . 17827 1 970 . 1 1 98 98 GLN CB C 13 32.290 0.50 . 1 . . . A 91 GLN CB . 17827 1 971 . 1 1 98 98 GLN CG C 13 34.400 0.50 . 1 . . . A 91 GLN CG . 17827 1 972 . 1 1 98 98 GLN N N 15 119.538 0.25 . 1 . . . A 91 GLN N . 17827 1 973 . 1 1 98 98 GLN NE2 N 15 111.037 0.25 . 1 . . . A 91 GLN NE2 . 17827 1 974 . 1 1 99 99 PHE H H 1 9.290 0.03 . 1 . . . A 92 PHE H . 17827 1 975 . 1 1 99 99 PHE HA H 1 5.700 0.03 . 1 . . . A 92 PHE HA . 17827 1 976 . 1 1 99 99 PHE HB2 H 1 2.560 0.03 . 1 . . . A 92 PHE HB2 . 17827 1 977 . 1 1 99 99 PHE HB3 H 1 3.135 0.03 . 1 . . . A 92 PHE HB3 . 17827 1 978 . 1 1 99 99 PHE C C 13 174.537 0.50 . 1 . . . A 92 PHE C . 17827 1 979 . 1 1 99 99 PHE CA C 13 54.190 0.50 . 1 . . . A 92 PHE CA . 17827 1 980 . 1 1 99 99 PHE CB C 13 41.080 0.50 . 1 . . . A 92 PHE CB . 17827 1 981 . 1 1 99 99 PHE N N 15 125.674 0.25 . 1 . . . A 92 PHE N . 17827 1 982 . 1 1 100 100 THR H H 1 8.945 0.03 . 1 . . . A 93 THR H . 17827 1 983 . 1 1 100 100 THR HA H 1 5.100 0.03 . 1 . . . A 93 THR HA . 17827 1 984 . 1 1 100 100 THR HB H 1 3.960 0.03 . 1 . . . A 93 THR HB . 17827 1 985 . 1 1 100 100 THR HG21 H 1 1.270 0.03 . 1 . . . A 93 THR HG21 . 17827 1 986 . 1 1 100 100 THR HG22 H 1 1.270 0.03 . 1 . . . A 93 THR HG22 . 17827 1 987 . 1 1 100 100 THR HG23 H 1 1.270 0.03 . 1 . . . A 93 THR HG23 . 17827 1 988 . 1 1 100 100 THR C C 13 180.164 0.50 . 1 . . . A 93 THR C . 17827 1 989 . 1 1 100 100 THR CA C 13 58.830 0.50 . 1 . . . A 93 THR CA . 17827 1 990 . 1 1 100 100 THR CB C 13 73.610 0.50 . 1 . . . A 93 THR CB . 17827 1 991 . 1 1 100 100 THR CG2 C 13 19.700 0.50 . 1 . . . A 93 THR CG2 . 17827 1 992 . 1 1 100 100 THR N N 15 124.543 0.25 . 1 . . . A 93 THR N . 17827 1 993 . 1 1 101 101 PRO HA H 1 4.300 0.03 . 1 . . . A 94 PRO HA . 17827 1 994 . 1 1 101 101 PRO HB2 H 1 2.206 0.03 . 1 . . . A 94 PRO HB2 . 17827 1 995 . 1 1 101 101 PRO HG2 H 1 1.816 0.03 . 1 . . . A 94 PRO HG2 . 17827 1 996 . 1 1 101 101 PRO HG3 H 1 1.950 0.03 . 1 . . . A 94 PRO HG3 . 17827 1 997 . 1 1 101 101 PRO HD2 H 1 3.725 0.03 . 1 . . . A 94 PRO HD2 . 17827 1 998 . 1 1 101 101 PRO CA C 13 63.570 0.50 . 1 . . . A 94 PRO CA . 17827 1 999 . 1 1 101 101 PRO CB C 13 31.620 0.50 . 1 . . . A 94 PRO CB . 17827 1 1000 . 1 1 101 101 PRO CG C 13 27.2 0.50 . 1 . . . A 94 PRO CG . 17827 1 1001 . 1 1 101 101 PRO CD C 13 50.690 0.50 . 1 . . . A 94 PRO CD . 17827 1 1002 . 1 1 103 103 HIS HA H 1 4.358 0.03 . 1 . . . . 96 HIS HA . 17827 1 1003 . 1 1 103 103 HIS HB2 H 1 2.984 0.03 . 1 . . . . 96 HIS HB2 . 17827 1 1004 . 1 1 103 103 HIS C C 13 174.808 0.50 . 1 . . . . 96 HIS C . 17827 1 1005 . 1 1 103 103 HIS CA C 13 56.595 0.50 . 1 . . . . 96 HIS CA . 17827 1 1006 . 1 1 103 103 HIS CB C 13 29.646 0.50 . 1 . . . . 96 HIS CB . 17827 1 1007 . 1 1 104 104 LYS H H 1 7.985 0.03 . 1 . . . . 97 LYS H . 17827 1 1008 . 1 1 104 104 LYS C C 13 176.220 0.50 . 1 . . . . 97 LYS C . 17827 1 1009 . 1 1 104 104 LYS CA C 13 56.386 0.50 . 1 . . . . 97 LYS CA . 17827 1 1010 . 1 1 104 104 LYS CB C 13 32.442 0.50 . 1 . . . . 97 LYS CB . 17827 1 1011 . 1 1 104 104 LYS CG C 13 24.241 0.50 . 1 . . . . 97 LYS CG . 17827 1 1012 . 1 1 104 104 LYS CD C 13 28.488 0.50 . 1 . . . . 97 LYS CD . 17827 1 1013 . 1 1 104 104 LYS CE C 13 41.584 0.50 . 1 . . . . 97 LYS CE . 17827 1 1014 . 1 1 104 104 LYS N N 15 120.773 0.25 . 1 . . . . 97 LYS N . 17827 1 1015 . 1 1 105 105 LEU H H 1 8.062 0.03 . 1 . . . . 98 LEU H . 17827 1 1016 . 1 1 105 105 LEU C C 13 176.953 0.50 . 1 . . . . 98 LEU C . 17827 1 1017 . 1 1 105 105 LEU CA C 13 55.061 0.50 . 1 . . . . 98 LEU CA . 17827 1 1018 . 1 1 105 105 LEU CB C 13 43.761 0.50 . 1 . . . . 98 LEU CB . 17827 1 1019 . 1 1 105 105 LEU N N 15 122.256 0.25 . 1 . . . . 98 LEU N . 17827 1 1020 . 1 1 106 106 LEU H H 1 8.013 0.03 . 1 . . . . 99 LEU H . 17827 1 1021 . 1 1 106 106 LEU HA H 1 4.206 0.03 . 1 . . . . 99 LEU HA . 17827 1 1022 . 1 1 106 106 LEU HB2 H 1 1.460 0.03 . 1 . . . . 99 LEU HB2 . 17827 1 1023 . 1 1 106 106 LEU HB3 H 1 1.510 0.03 . 1 . . . . 99 LEU HB3 . 17827 1 1024 . 1 1 106 106 LEU HG H 1 1.450 0.03 . 1 . . . . 99 LEU HG . 17827 1 1025 . 1 1 106 106 LEU HD11 H 1 0.720 0.03 . 1 . . . . 99 LEU HD1 . 17827 1 1026 . 1 1 106 106 LEU HD12 H 1 0.720 0.03 . 1 . . . . 99 LEU HD1 . 17827 1 1027 . 1 1 106 106 LEU HD13 H 1 0.720 0.03 . 1 . . . . 99 LEU HD1 . 17827 1 1028 . 1 1 106 106 LEU C C 13 176.940 0.50 . 1 . . . . 99 LEU C . 17827 1 1029 . 1 1 106 106 LEU CA C 13 54.950 0.50 . 1 . . . . 99 LEU CA . 17827 1 1030 . 1 1 106 106 LEU CB C 13 42.040 0.50 . 1 . . . . 99 LEU CB . 17827 1 1031 . 1 1 106 106 LEU CG C 13 26.770 0.50 . 1 . . . . 99 LEU CG . 17827 1 1032 . 1 1 106 106 LEU CD1 C 13 23.470 0.50 . 1 . . . . 99 LEU CD1 . 17827 1 1033 . 1 1 106 106 LEU N N 15 123.010 0.25 . 1 . . . . 99 LEU N . 17827 1 1034 . 1 1 107 107 ARG H H 1 8.091 0.03 . 1 . . . . 100 ARG H . 17827 1 1035 . 1 1 107 107 ARG HA H 1 4.205 0.03 . 1 . . . . 100 ARG HA . 17827 1 1036 . 1 1 107 107 ARG HB2 H 1 1.650 0.03 . 1 . . . . 100 ARG HB2 . 17827 1 1037 . 1 1 107 107 ARG HB3 H 1 1.723 0.03 . 1 . . . . 100 ARG HB3 . 17827 1 1038 . 1 1 107 107 ARG HD2 H 1 3.065 0.03 . 1 . . . . 100 ARG HD2 . 17827 1 1039 . 1 1 107 107 ARG C C 13 175.772 0.50 . 1 . . . . 100 ARG C . 17827 1 1040 . 1 1 107 107 ARG CA C 13 55.620 0.50 . 1 . . . . 100 ARG CA . 17827 1 1041 . 1 1 107 107 ARG CB C 13 30.100 0.50 . 1 . . . . 100 ARG CB . 17827 1 1042 . 1 1 107 107 ARG CD C 13 43.150 0.50 . 1 . . . . 100 ARG CD . 17827 1 1043 . 1 1 107 107 ARG N N 15 121.353 0.25 . 1 . . . . 100 ARG N . 17827 1 1044 . 1 1 108 108 LEU H H 1 8.032 0.03 . 1 . . . . 101 LEU H . 17827 1 1045 . 1 1 108 108 LEU HA H 1 4.210 0.03 . 1 . . . . 101 LEU HA . 17827 1 1046 . 1 1 108 108 LEU HB2 H 1 1.500 0.03 . 1 . . . . 101 LEU HB2 . 17827 1 1047 . 1 1 108 108 LEU HB3 H 1 1.450 0.03 . 1 . . . . 101 LEU HB3 . 17827 1 1048 . 1 1 108 108 LEU HG H 1 1.450 0.03 . 1 . . . . 101 LEU HG . 17827 1 1049 . 1 1 108 108 LEU HD11 H 1 0.830 0.03 . 1 . . . . 101 LEU HD1 . 17827 1 1050 . 1 1 108 108 LEU HD12 H 1 0.830 0.03 . 1 . . . . 101 LEU HD1 . 17827 1 1051 . 1 1 108 108 LEU HD13 H 1 0.830 0.03 . 1 . . . . 101 LEU HD1 . 17827 1 1052 . 1 1 108 108 LEU HD21 H 1 0.830 0.03 . 1 . . . . 101 LEU HD2 . 17827 1 1053 . 1 1 108 108 LEU HD22 H 1 0.830 0.03 . 1 . . . . 101 LEU HD2 . 17827 1 1054 . 1 1 108 108 LEU HD23 H 1 0.830 0.03 . 1 . . . . 101 LEU HD2 . 17827 1 1055 . 1 1 108 108 LEU C C 13 176.744 0.50 . 1 . . . . 101 LEU C . 17827 1 1056 . 1 1 108 108 LEU CA C 13 55.180 0.50 . 1 . . . . 101 LEU CA . 17827 1 1057 . 1 1 108 108 LEU CB C 13 42.030 0.50 . 1 . . . . 101 LEU CB . 17827 1 1058 . 1 1 108 108 LEU CG C 13 26.740 0.50 . 1 . . . . 101 LEU CG . 17827 1 1059 . 1 1 108 108 LEU CD1 C 13 23.130 0.50 . 1 . . . . 101 LEU CD1 . 17827 1 1060 . 1 1 108 108 LEU CD2 C 13 24.520 0.50 . 1 . . . . 101 LEU CD2 . 17827 1 1061 . 1 1 108 108 LEU N N 15 122.712 0.25 . 1 . . . . 101 LEU N . 17827 1 1062 . 1 1 109 109 GLN H H 1 8.210 0.03 . 1 . . . . 102 GLN H . 17827 1 1063 . 1 1 109 109 GLN HA H 1 4.280 0.03 . 1 . . . . 102 GLN HA . 17827 1 1064 . 1 1 109 109 GLN HB2 H 1 1.900 0.03 . 1 . . . . 102 GLN HB2 . 17827 1 1065 . 1 1 109 109 GLN HB3 H 1 2.000 0.03 . 1 . . . . 102 GLN HB3 . 17827 1 1066 . 1 1 109 109 GLN HG2 H 1 2.255 0.03 . 1 . . . . 102 GLN HG2 . 17827 1 1067 . 1 1 109 109 GLN C C 13 175.167 0.50 . 1 . . . . 102 GLN C . 17827 1 1068 . 1 1 109 109 GLN CA C 13 55.310 0.50 . 1 . . . . 102 GLN CA . 17827 1 1069 . 1 1 109 109 GLN CB C 13 29.200 0.50 . 1 . . . . 102 GLN CB . 17827 1 1070 . 1 1 109 109 GLN CG C 13 33.460 0.50 . 1 . . . . 102 GLN CG . 17827 1 1071 . 1 1 109 109 GLN N N 15 121.063 0.25 . 1 . . . . 102 GLN N . 17827 1 1072 . 1 1 110 110 LEU H H 1 8.183 0.03 . 1 . . . . 103 LEU H . 17827 1 1073 . 1 1 110 110 LEU HA H 1 4.540 0.03 . 1 . . . . 103 LEU HA . 17827 1 1074 . 1 1 110 110 LEU HB2 H 1 1.570 0.03 . 1 . . . . 103 LEU HB2 . 17827 1 1075 . 1 1 110 110 LEU HD21 H 1 0.850 0.03 . 1 . . . . 103 LEU HD2 . 17827 1 1076 . 1 1 110 110 LEU HD22 H 1 0.850 0.03 . 1 . . . . 103 LEU HD2 . 17827 1 1077 . 1 1 110 110 LEU HD23 H 1 0.850 0.03 . 1 . . . . 103 LEU HD2 . 17827 1 1078 . 1 1 110 110 LEU C C 13 174.815 0.50 . 1 . . . . 103 LEU C . 17827 1 1079 . 1 1 110 110 LEU CA C 13 52.800 0.50 . 1 . . . . 103 LEU CA . 17827 1 1080 . 1 1 110 110 LEU CB C 13 41.550 0.50 . 1 . . . . 103 LEU CB . 17827 1 1081 . 1 1 110 110 LEU CD2 C 13 22.860 0.50 . 1 . . . . 103 LEU CD2 . 17827 1 1082 . 1 1 110 110 LEU N N 15 125.202 0.25 . 1 . . . . 103 LEU N . 17827 1 stop_ save_