data_5631 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5631 _Entry.Title ; ERBIN PDZ domain bound to a phage-derived peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-19 _Entry.Accession_date 2002-12-19 _Entry.Last_release_date 2003-08-07 _Entry.Original_release_date 2003-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Skelton . J. . 5631 2 M. Koehler . F.T. . 5631 3 K. Zobel . . . 5631 4 W. Wong . L. . 5631 5 S. Yeh . . . 5631 6 M. Pisabarro . T. . 5631 7 J. Yin . P. . 5631 8 L. Lasky . A. . 5631 9 S. Sidhu . S. . 5631 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5631 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 764 5631 '13C chemical shifts' 441 5631 '15N chemical shifts' 107 5631 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 . . 2003-08-07 2002-12-19 original author . 5631 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5631 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22486575 _Citation.DOI . _Citation.PubMed_ID 12446668 _Citation.Full_citation . _Citation.Title ; Origins of PDZ Domain Ligand Specificity: Structure Determination and Mutagenesis of the Erbin PDZ Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 9 _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 7645 _Citation.Page_last 7654 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Skelton . J. . 5631 1 2 M. Koehler . F.T. . 5631 1 3 K. Zobel . . . 5631 1 4 W. Wong . L. . 5631 1 5 S. Yeh . . . 5631 1 6 M. Pisabarro . T. . 5631 1 7 J. Yin . P. . 5631 1 8 L. Lasky . A. . 5631 1 9 S. Sidhu . S. . 5631 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'pdz domain' 5631 1 'c-terminal peptide complex' 5631 1 'high affinity ligand' 5631 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_densin-180 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_densin-180 _Assembly.Entry_ID 5631 _Assembly.ID 1 _Assembly.Name '99-mer peptide of densin-180-like protein/phage-derived peptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5631 1 stop_ 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 'kalata B1' 1 $kalata . . . native . . . . . 5631 1 2 PEPTIDE 2 $peptide . . . native . . . . . 5631 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1N7T . . . . . . 5631 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '99-mer peptide of densin-180-like protein/phage-derived peptide' system 5631 1 'kalata B1' abbreviation 5631 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_kalata _Entity.Sf_category entity _Entity.Sf_framecode kalata _Entity.Entry_ID 5631 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'kalata B1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGHELAKQEIRVRVEKD PELGFSISGGVGGRGNPFRP DDDGIFVTRVQPEGPASKLL QPGDKIIQANGYSFINIEHG QAVSLLKTFQNTVELIIVRE VSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q96RT1 . 'Protein LAP2 (Erbb2-interacting protein) (Erbin) (Densin-180-like protein)' . . . . . 96.12 1412 100.00 100.00 1.25e-51 . . . . 5631 1 . . REF XP_001162804 . 'PREDICTED: ERBB2 interacting protein isoform 4 [Pan troglodytes]' . . . . . 96.12 1371 100.00 100.00 1.42e-51 . . . . 5631 1 . . REF XP_001162761 . 'PREDICTED: ERBB2 interacting protein isoform 3 [Pan troglodytes]' . . . . . 96.12 1412 100.00 100.00 1.34e-51 . . . . 5631 1 . . REF XP_001162635 . 'PREDICTED: ERBB2 interacting protein isoform 1 [Pan troglodytes]' . . . . . 96.12 1124 100.00 100.00 1.26e-51 . . . . 5631 1 . . REF XP_001088781 . 'PREDICTED: ERBB2 interacting protein [Macaca mulatta]' . . . . . 96.12 1458 100.00 100.00 1.30e-51 . . . . 5631 1 . . REF NP_061165 . 'ERBB2 interacting protein isoform 2 [Homo sapiens]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1 . . GenBank AAK69431 . 'densin-180-like protein [Homo sapiens]' . . . . . 96.12 1412 100.00 100.00 1.27e-51 . . . . 5631 1 . . GenBank AAI26465 . 'Erbb2 interacting protein [Homo sapiens]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1 . . GenBank AAI15016 . 'ERBB2IP protein [Homo sapiens]' . . . . . 96.12 1367 100.00 100.00 1.40e-51 . . . . 5631 1 . . GenBank AAI15013 . 'Erbb2 interacting protein [Homo sapiens]' . . . . . 96.12 1371 98.99 100.00 3.16e-51 . . . . 5631 1 . . GenBank AAF77048 . 'erbb2-interacting protein ERBIN [Homo sapiens]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1 . . DBJ BAG58554 . 'unnamed protein product [Homo sapiens]' . . . . . 96.12 610 100.00 100.00 3.68e-51 . . . . 5631 1 . . DBJ BAG10002 . 'erbb2 interacting protein [synthetic construct]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1 . . DBJ BAA86539 . 'KIAA1225 protein [Homo sapiens]' . . . . . 96.12 1371 100.00 100.00 1.35e-51 . . . . 5631 1 . . PDB 2QBW . 'The Crystal Structure Of Pdz-Fibronectin Fusion Protein' . . . . . 78.64 195 100.00 100.00 2.97e-40 . . . . 5631 1 . . PDB 2H3L . 'Crystal Structure Of Erbin Pdz' . . . . . 100.00 103 100.00 100.00 2.36e-52 . . . . 5631 1 . . PDB 1N7T . 'Erbin Pdz Domain Bound To A Phage-Derived Peptide' . . . . . 100.00 103 100.00 100.00 2.36e-52 . . . . 5631 1 . . PDB 1MFL . 'The Structure Of Erbin Pdz Domain Bound To The Carboxy- Terminal Tail Of The Erbb2 Receptor' . . . . . 89.32 95 100.00 100.00 2.18e-45 . . . . 5631 1 . . PDB 1MFG . 'The Structure Of Erbin Pdz Domain Bound To The Carboxy- Terminal Tail Of The Erbb2 Receptor' . . . . . 89.32 95 100.00 100.00 2.18e-45 . . . . 5631 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'kalata B1' common 5631 1 'kalata B1' abbreviation 5631 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5631 1 2 . SER . 5631 1 3 . HIS . 5631 1 4 . MET . 5631 1 5 . GLY . 5631 1 6 . HIS . 5631 1 7 . GLU . 5631 1 8 . LEU . 5631 1 9 . ALA . 5631 1 10 . LYS . 5631 1 11 . GLN . 5631 1 12 . GLU . 5631 1 13 . ILE . 5631 1 14 . ARG . 5631 1 15 . VAL . 5631 1 16 . ARG . 5631 1 17 . VAL . 5631 1 18 . GLU . 5631 1 19 . LYS . 5631 1 20 . ASP . 5631 1 21 . PRO . 5631 1 22 . GLU . 5631 1 23 . LEU . 5631 1 24 . GLY . 5631 1 25 . PHE . 5631 1 26 . SER . 5631 1 27 . ILE . 5631 1 28 . SER . 5631 1 29 . GLY . 5631 1 30 . GLY . 5631 1 31 . VAL . 5631 1 32 . GLY . 5631 1 33 . GLY . 5631 1 34 . ARG . 5631 1 35 . GLY . 5631 1 36 . ASN . 5631 1 37 . PRO . 5631 1 38 . PHE . 5631 1 39 . ARG . 5631 1 40 . PRO . 5631 1 41 . ASP . 5631 1 42 . ASP . 5631 1 43 . ASP . 5631 1 44 . GLY . 5631 1 45 . ILE . 5631 1 46 . PHE . 5631 1 47 . VAL . 5631 1 48 . THR . 5631 1 49 . ARG . 5631 1 50 . VAL . 5631 1 51 . GLN . 5631 1 52 . PRO . 5631 1 53 . GLU . 5631 1 54 . GLY . 5631 1 55 . PRO . 5631 1 56 . ALA . 5631 1 57 . SER . 5631 1 58 . LYS . 5631 1 59 . LEU . 5631 1 60 . LEU . 5631 1 61 . GLN . 5631 1 62 . PRO . 5631 1 63 . GLY . 5631 1 64 . ASP . 5631 1 65 . LYS . 5631 1 66 . ILE . 5631 1 67 . ILE . 5631 1 68 . GLN . 5631 1 69 . ALA . 5631 1 70 . ASN . 5631 1 71 . GLY . 5631 1 72 . TYR . 5631 1 73 . SER . 5631 1 74 . PHE . 5631 1 75 . ILE . 5631 1 76 . ASN . 5631 1 77 . ILE . 5631 1 78 . GLU . 5631 1 79 . HIS . 5631 1 80 . GLY . 5631 1 81 . GLN . 5631 1 82 . ALA . 5631 1 83 . VAL . 5631 1 84 . SER . 5631 1 85 . LEU . 5631 1 86 . LEU . 5631 1 87 . LYS . 5631 1 88 . THR . 5631 1 89 . PHE . 5631 1 90 . GLN . 5631 1 91 . ASN . 5631 1 92 . THR . 5631 1 93 . VAL . 5631 1 94 . GLU . 5631 1 95 . LEU . 5631 1 96 . ILE . 5631 1 97 . ILE . 5631 1 98 . VAL . 5631 1 99 . ARG . 5631 1 100 . GLU . 5631 1 101 . VAL . 5631 1 102 . SER . 5631 1 103 . SER . 5631 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 5631 1 . SER 2 2 5631 1 . HIS 3 3 5631 1 . MET 4 4 5631 1 . GLY 5 5 5631 1 . HIS 6 6 5631 1 . GLU 7 7 5631 1 . LEU 8 8 5631 1 . ALA 9 9 5631 1 . LYS 10 10 5631 1 . GLN 11 11 5631 1 . GLU 12 12 5631 1 . ILE 13 13 5631 1 . ARG 14 14 5631 1 . VAL 15 15 5631 1 . ARG 16 16 5631 1 . VAL 17 17 5631 1 . GLU 18 18 5631 1 . LYS 19 19 5631 1 . ASP 20 20 5631 1 . PRO 21 21 5631 1 . GLU 22 22 5631 1 . LEU 23 23 5631 1 . GLY 24 24 5631 1 . PHE 25 25 5631 1 . SER 26 26 5631 1 . ILE 27 27 5631 1 . SER 28 28 5631 1 . GLY 29 29 5631 1 . GLY 30 30 5631 1 . VAL 31 31 5631 1 . GLY 32 32 5631 1 . GLY 33 33 5631 1 . ARG 34 34 5631 1 . GLY 35 35 5631 1 . ASN 36 36 5631 1 . PRO 37 37 5631 1 . PHE 38 38 5631 1 . ARG 39 39 5631 1 . PRO 40 40 5631 1 . ASP 41 41 5631 1 . ASP 42 42 5631 1 . ASP 43 43 5631 1 . GLY 44 44 5631 1 . ILE 45 45 5631 1 . PHE 46 46 5631 1 . VAL 47 47 5631 1 . THR 48 48 5631 1 . ARG 49 49 5631 1 . VAL 50 50 5631 1 . GLN 51 51 5631 1 . PRO 52 52 5631 1 . GLU 53 53 5631 1 . GLY 54 54 5631 1 . PRO 55 55 5631 1 . ALA 56 56 5631 1 . SER 57 57 5631 1 . LYS 58 58 5631 1 . LEU 59 59 5631 1 . LEU 60 60 5631 1 . GLN 61 61 5631 1 . PRO 62 62 5631 1 . GLY 63 63 5631 1 . ASP 64 64 5631 1 . LYS 65 65 5631 1 . ILE 66 66 5631 1 . ILE 67 67 5631 1 . GLN 68 68 5631 1 . ALA 69 69 5631 1 . ASN 70 70 5631 1 . GLY 71 71 5631 1 . TYR 72 72 5631 1 . SER 73 73 5631 1 . PHE 74 74 5631 1 . ILE 75 75 5631 1 . ASN 76 76 5631 1 . ILE 77 77 5631 1 . GLU 78 78 5631 1 . HIS 79 79 5631 1 . GLY 80 80 5631 1 . GLN 81 81 5631 1 . ALA 82 82 5631 1 . VAL 83 83 5631 1 . SER 84 84 5631 1 . LEU 85 85 5631 1 . LEU 86 86 5631 1 . LYS 87 87 5631 1 . THR 88 88 5631 1 . PHE 89 89 5631 1 . GLN 90 90 5631 1 . ASN 91 91 5631 1 . THR 92 92 5631 1 . VAL 93 93 5631 1 . GLU 94 94 5631 1 . LEU 95 95 5631 1 . ILE 96 96 5631 1 . ILE 97 97 5631 1 . VAL 98 98 5631 1 . ARG 99 99 5631 1 . GLU 100 100 5631 1 . VAL 101 101 5631 1 . SER 102 102 5631 1 . SER 103 103 5631 1 stop_ save_ save_peptide _Entity.Sf_category entity _Entity.Sf_framecode peptide _Entity.Entry_ID 5631 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name '99-MER PEPTIDE' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code TGWETWV _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '99-MER PEPTIDE' common 5631 2 '99-MER PEPTIDE' abbreviation 5631 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 301 THR . 5631 2 2 302 GLY . 5631 2 3 303 TRP . 5631 2 4 304 GLU . 5631 2 5 305 THR . 5631 2 6 306 TRP . 5631 2 7 307 VAL . 5631 2 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 . THR 1 1 5631 2 . GLY 2 2 5631 2 . TRP 3 3 5631 2 . GLU 4 4 5631 2 . THR 5 5 5631 2 . TRP 6 6 5631 2 . VAL 7 7 5631 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5631 _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 $kalata . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5631 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 5631 _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 $kalata . 'chemical synthesis' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . PLASMID . . . . . . 5631 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5631 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'kalata B1' [U-15N] . . 1 $kalata . . 2 . . mM . . . . 5631 1 2 '99-MER PEPTIDE' . . . 2 $peptide . . 2.2 . . mM . . . . 5631 1 3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5631 1 4 'sodium chloride' . . . . . . . 50 . . mM . . . . 5631 1 5 H2O . . . . . . . 90 . . % . . . . 5631 1 6 D2O . . . . . . . 10 . . % . . . . 5631 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5631 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'kalata B1' '[U-15N; U-13C]' . . 1 $kalata . . 2 . . mM . . . . 5631 2 2 '99-MER PEPTIDE' . . . 2 $peptide . . 2.2 . . mM . . . . 5631 2 3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5631 2 4 'sodium chloride' . . . . . . . 50 . . mM . . . . 5631 2 5 H2O . . . . . . . 90 . . % . . . . 5631 2 6 D2O . . . . . . . 10 . . % . . . . 5631 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5631 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'kalata B1' '[U-15N; U-13C]' . . 1 $kalata . . 2 . . mM . . . . 5631 3 2 '99-MER PEPTIDE' . . . 2 $peptide . . 2.2 . . mM . . . . 5631 3 3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5631 3 4 'sodium chloride' . . . . . . . 50 . . mM . . . . 5631 3 5 D2O . . . . . . . 100 . . % . . . . 5631 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5631 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'kalata B1' [U-15N] . . 1 $kalata . . 2 . . mM . . . . 5631 4 2 '99-MER PEPTIDE' . . . 2 $peptide . . 2.2 . . mM . . . . 5631 4 3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5631 4 4 'sodium chloride' . . . . . . . 50 . . mM . . . . 5631 4 5 Pf1_phage . . . . . . . 15 . . mg/ml . . . . 5631 4 6 H2O . . . . . . . 90 . . % . . . . 5631 4 7 D2O . . . . . . . 10 . . % . . . . 5631 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5631 _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 pH 6.5 . n/a 5631 1 temperature 298 . K 5631 1 'ionic strength' 250 . mM 5631 1 pressure 1 . atm 5631 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5631 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5631 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5631 _Software.ID 2 _Software.Name FELIX _Software.Version 98 _Software.Details Accelrys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5631 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5631 _Software.ID 3 _Software.Name CNS _Software.Version 2000.1 _Software.Details Accelrys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5631 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5631 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5631 _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 NMR_spectrometer Bruker DRX . 800 . . . 5631 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 5631 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 2 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 3 3D-HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 4 '3D 15N-separated low mixing time TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 5 '2D-15N-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 6 3D_13C-separated_NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 7 3D-13_filtered . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 8 '13C-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 9 '2D-13C-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5631 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D_15N-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D-HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 15N-separated low mixing time TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D-15N-filtered NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D_13C-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D-13_filtered _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '13C-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5631 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D-13C-filtered NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5631 _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 . . . . . . ppm . . . . . . . . . . . . . 5631 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 5631 1 C 13 . . . . . . ppm . . . . . . . . . . . . . 5631 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5631 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5631 1 . . 2 $sample_2 . 5631 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 1 1 GLY HA2 H 1 3.84 0.03 . 1 . . . . . . . . 5631 1 2 . 1 1 1 1 GLY HA3 H 1 3.84 0.03 . 1 . . . . . . . . 5631 1 3 . 1 1 1 1 GLY CA C 13 43.20 0.30 . 1 . . . . . . . . 5631 1 4 . 1 1 3 3 HIS HA H 1 4.67 0.03 . 1 . . . . . . . . 5631 1 5 . 1 1 3 3 HIS HD2 H 1 7.03 0.03 . 1 . . . . . . . . 5631 1 6 . 1 1 3 3 HIS HE1 H 1 8.10 0.03 . 1 . . . . . . . . 5631 1 7 . 1 1 3 3 HIS CA C 13 55.77 0.30 . 1 . . . . . . . . 5631 1 8 . 1 1 3 3 HIS CB C 13 29.79 0.30 . 1 . . . . . . . . 5631 1 9 . 1 1 3 3 HIS CD2 C 13 156.00 0.30 . 1 . . . . . . . . 5631 1 10 . 1 1 3 3 HIS CE1 C 13 137.50 0.30 . 1 . . . . . . . . 5631 1 11 . 1 1 4 4 MET H H 1 8.42 0.03 . 1 . . . . . . . . 5631 1 12 . 1 1 4 4 MET HA H 1 4.42 0.03 . 1 . . . . . . . . 5631 1 13 . 1 1 4 4 MET HB2 H 1 2.04 0.03 . 2 . . . . . . . . 5631 1 14 . 1 1 4 4 MET HB3 H 1 1.92 0.03 . 2 . . . . . . . . 5631 1 15 . 1 1 4 4 MET HG2 H 1 2.50 0.03 . 2 . . . . . . . . 5631 1 16 . 1 1 4 4 MET HG3 H 1 2.40 0.03 . 2 . . . . . . . . 5631 1 17 . 1 1 4 4 MET C C 13 176.45 0.10 . 1 . . . . . . . . 5631 1 18 . 1 1 4 4 MET CA C 13 55.50 0.30 . 1 . . . . . . . . 5631 1 19 . 1 1 4 4 MET CB C 13 32.50 0.30 . 1 . . . . . . . . 5631 1 20 . 1 1 4 4 MET CG C 13 31.90 0.30 . 1 . . . . . . . . 5631 1 21 . 1 1 4 4 MET N N 15 121.86 0.40 . 1 . . . . . . . . 5631 1 22 . 1 1 5 5 GLY H H 1 8.44 0.03 . 1 . . . . . . . . 5631 1 23 . 1 1 5 5 GLY HA2 H 1 3.93 0.03 . 2 . . . . . . . . 5631 1 24 . 1 1 5 5 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 5631 1 25 . 1 1 5 5 GLY C C 13 173.79 0.10 . 1 . . . . . . . . 5631 1 26 . 1 1 5 5 GLY CA C 13 45.20 0.30 . 1 . . . . . . . . 5631 1 27 . 1 1 5 5 GLY N N 15 110.00 0.40 . 1 . . . . . . . . 5631 1 28 . 1 1 6 6 HIS H H 1 8.20 0.03 . 1 . . . . . . . . 5631 1 29 . 1 1 6 6 HIS HA H 1 4.63 0.03 . 1 . . . . . . . . 5631 1 30 . 1 1 6 6 HIS HB2 H 1 3.14 0.03 . 2 . . . . . . . . 5631 1 31 . 1 1 6 6 HIS HB3 H 1 3.08 0.03 . 2 . . . . . . . . 5631 1 32 . 1 1 6 6 HIS HD2 H 1 7.03 0.03 . 1 . . . . . . . . 5631 1 33 . 1 1 6 6 HIS HE1 H 1 8.00 0.03 . 1 . . . . . . . . 5631 1 34 . 1 1 6 6 HIS C C 13 174.77 0.10 . 1 . . . . . . . . 5631 1 35 . 1 1 6 6 HIS CA C 13 56.00 0.30 . 1 . . . . . . . . 5631 1 36 . 1 1 6 6 HIS CB C 13 30.20 0.30 . 1 . . . . . . . . 5631 1 37 . 1 1 6 6 HIS CD2 C 13 155.90 0.30 . 1 . . . . . . . . 5631 1 38 . 1 1 6 6 HIS CE1 C 13 137.80 0.30 . 1 . . . . . . . . 5631 1 39 . 1 1 6 6 HIS N N 15 118.78 0.40 . 1 . . . . . . . . 5631 1 40 . 1 1 7 7 GLU H H 1 8.52 0.03 . 1 . . . . . . . . 5631 1 41 . 1 1 7 7 GLU HA H 1 4.26 0.03 . 1 . . . . . . . . 5631 1 42 . 1 1 7 7 GLU HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5631 1 43 . 1 1 7 7 GLU HG2 H 1 2.19 0.03 . 1 . . . . . . . . 5631 1 44 . 1 1 7 7 GLU HG3 H 1 2.19 0.03 . 1 . . . . . . . . 5631 1 45 . 1 1 7 7 GLU C C 13 176.09 0.10 . 1 . . . . . . . . 5631 1 46 . 1 1 7 7 GLU CA C 13 56.40 0.30 . 1 . . . . . . . . 5631 1 47 . 1 1 7 7 GLU CB C 13 30.20 0.30 . 1 . . . . . . . . 5631 1 48 . 1 1 7 7 GLU CG C 13 36.00 0.30 . 1 . . . . . . . . 5631 1 49 . 1 1 7 7 GLU N N 15 122.31 0.40 . 1 . . . . . . . . 5631 1 50 . 1 1 8 8 LEU H H 1 8.28 0.03 . 1 . . . . . . . . 5631 1 51 . 1 1 8 8 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 5631 1 52 . 1 1 8 8 LEU HB2 H 1 1.60 0.03 . 2 . . . . . . . . 5631 1 53 . 1 1 8 8 LEU HB3 H 1 1.53 0.03 . 2 . . . . . . . . 5631 1 54 . 1 1 8 8 LEU HG H 1 1.59 0.03 . 1 . . . . . . . . 5631 1 55 . 1 1 8 8 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 5631 1 56 . 1 1 8 8 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 5631 1 57 . 1 1 8 8 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 5631 1 58 . 1 1 8 8 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 5631 1 59 . 1 1 8 8 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 5631 1 60 . 1 1 8 8 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 5631 1 61 . 1 1 8 8 LEU C C 13 176.73 0.10 . 1 . . . . . . . . 5631 1 62 . 1 1 8 8 LEU CA C 13 54.70 0.30 . 1 . . . . . . . . 5631 1 63 . 1 1 8 8 LEU CB C 13 42.50 0.30 . 1 . . . . . . . . 5631 1 64 . 1 1 8 8 LEU CG C 13 27.10 0.30 . 1 . . . . . . . . 5631 1 65 . 1 1 8 8 LEU CD1 C 13 61.10 0.30 . 1 . . . . . . . . 5631 1 66 . 1 1 8 8 LEU CD2 C 13 59.50 0.30 . 1 . . . . . . . . 5631 1 67 . 1 1 8 8 LEU N N 15 123.54 0.40 . 1 . . . . . . . . 5631 1 68 . 1 1 9 9 ALA H H 1 8.40 0.03 . 1 . . . . . . . . 5631 1 69 . 1 1 9 9 ALA HA H 1 4.38 0.03 . 1 . . . . . . . . 5631 1 70 . 1 1 9 9 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 5631 1 71 . 1 1 9 9 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 5631 1 72 . 1 1 9 9 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 5631 1 73 . 1 1 9 9 ALA C C 13 176.57 0.10 . 1 . . . . . . . . 5631 1 74 . 1 1 9 9 ALA CA C 13 51.70 0.30 . 1 . . . . . . . . 5631 1 75 . 1 1 9 9 ALA CB C 13 19.80 0.30 . 1 . . . . . . . . 5631 1 76 . 1 1 9 9 ALA N N 15 125.16 0.40 . 1 . . . . . . . . 5631 1 77 . 1 1 10 10 LYS H H 1 8.16 0.03 . 1 . . . . . . . . 5631 1 78 . 1 1 10 10 LYS HA H 1 4.70 0.03 . 1 . . . . . . . . 5631 1 79 . 1 1 10 10 LYS HB2 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1 80 . 1 1 10 10 LYS HB3 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1 81 . 1 1 10 10 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 5631 1 82 . 1 1 10 10 LYS HG3 H 1 1.29 0.03 . 2 . . . . . . . . 5631 1 83 . 1 1 10 10 LYS HD2 H 1 1.58 0.03 . 1 . . . . . . . . 5631 1 84 . 1 1 10 10 LYS HD3 H 1 1.58 0.03 . 1 . . . . . . . . 5631 1 85 . 1 1 10 10 LYS HE2 H 1 2.95 0.03 . 1 . . . . . . . . 5631 1 86 . 1 1 10 10 LYS HE3 H 1 2.95 0.03 . 1 . . . . . . . . 5631 1 87 . 1 1 10 10 LYS C C 13 175.88 0.10 . 1 . . . . . . . . 5631 1 88 . 1 1 10 10 LYS CA C 13 55.50 0.30 . 1 . . . . . . . . 5631 1 89 . 1 1 10 10 LYS CB C 13 34.20 0.30 . 1 . . . . . . . . 5631 1 90 . 1 1 10 10 LYS CG C 13 25.20 0.30 . 1 . . . . . . . . 5631 1 91 . 1 1 10 10 LYS CD C 13 29.10 0.30 . 1 . . . . . . . . 5631 1 92 . 1 1 10 10 LYS CE C 13 41.90 0.30 . 1 . . . . . . . . 5631 1 93 . 1 1 10 10 LYS N N 15 119.00 0.40 . 1 . . . . . . . . 5631 1 94 . 1 1 11 11 GLN H H 1 8.78 0.03 . 1 . . . . . . . . 5631 1 95 . 1 1 11 11 GLN HA H 1 4.53 0.03 . 1 . . . . . . . . 5631 1 96 . 1 1 11 11 GLN HB2 H 1 1.96 0.03 . 2 . . . . . . . . 5631 1 97 . 1 1 11 11 GLN HB3 H 1 1.88 0.03 . 2 . . . . . . . . 5631 1 98 . 1 1 11 11 GLN HG2 H 1 2.22 0.03 . 1 . . . . . . . . 5631 1 99 . 1 1 11 11 GLN HG3 H 1 2.22 0.03 . 1 . . . . . . . . 5631 1 100 . 1 1 11 11 GLN HE21 H 1 6.77 0.03 . 1 . . . . . . . . 5631 1 101 . 1 1 11 11 GLN HE22 H 1 7.30 0.03 . 1 . . . . . . . . 5631 1 102 . 1 1 11 11 GLN C C 13 173.94 0.10 . 1 . . . . . . . . 5631 1 103 . 1 1 11 11 GLN CA C 13 54.50 0.30 . 1 . . . . . . . . 5631 1 104 . 1 1 11 11 GLN CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1 105 . 1 1 11 11 GLN CG C 13 33.60 0.30 . 1 . . . . . . . . 5631 1 106 . 1 1 11 11 GLN N N 15 121.58 0.40 . 1 . . . . . . . . 5631 1 107 . 1 1 11 11 GLN NE2 N 15 110.86 0.40 . 1 . . . . . . . . 5631 1 108 . 1 1 12 12 GLU H H 1 8.39 0.03 . 1 . . . . . . . . 5631 1 109 . 1 1 12 12 GLU HA H 1 5.18 0.03 . 1 . . . . . . . . 5631 1 110 . 1 1 12 12 GLU HB3 H 1 1.78 0.03 . 2 . . . . . . . . 5631 1 111 . 1 1 12 12 GLU HG2 H 1 2.08 0.03 . 2 . . . . . . . . 5631 1 112 . 1 1 12 12 GLU HG3 H 1 1.88 0.03 . 2 . . . . . . . . 5631 1 113 . 1 1 12 12 GLU C C 13 176.38 0.10 . 1 . . . . . . . . 5631 1 114 . 1 1 12 12 GLU CA C 13 55.00 0.30 . 1 . . . . . . . . 5631 1 115 . 1 1 12 12 GLU CB C 13 31.00 0.30 . 1 . . . . . . . . 5631 1 116 . 1 1 12 12 GLU CG C 13 37.10 0.30 . 1 . . . . . . . . 5631 1 117 . 1 1 12 12 GLU N N 15 124.31 0.40 . 1 . . . . . . . . 5631 1 118 . 1 1 13 13 ILE H H 1 9.22 0.03 . 1 . . . . . . . . 5631 1 119 . 1 1 13 13 ILE HA H 1 4.28 0.03 . 1 . . . . . . . . 5631 1 120 . 1 1 13 13 ILE HB H 1 1.47 0.03 . 1 . . . . . . . . 5631 1 121 . 1 1 13 13 ILE HG12 H 1 1.29 0.03 . 2 . . . . . . . . 5631 1 122 . 1 1 13 13 ILE HG13 H 1 0.86 0.03 . 2 . . . . . . . . 5631 1 123 . 1 1 13 13 ILE HG21 H 1 0.77 0.03 . 1 . . . . . . . . 5631 1 124 . 1 1 13 13 ILE HG22 H 1 0.77 0.03 . 1 . . . . . . . . 5631 1 125 . 1 1 13 13 ILE HG23 H 1 0.77 0.03 . 1 . . . . . . . . 5631 1 126 . 1 1 13 13 ILE HD11 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1 127 . 1 1 13 13 ILE HD12 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1 128 . 1 1 13 13 ILE HD13 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1 129 . 1 1 13 13 ILE C C 13 173.44 0.10 . 1 . . . . . . . . 5631 1 130 . 1 1 13 13 ILE CA C 13 60.20 0.30 . 1 . . . . . . . . 5631 1 131 . 1 1 13 13 ILE CB C 13 41.50 0.30 . 1 . . . . . . . . 5631 1 132 . 1 1 13 13 ILE CG1 C 13 27.10 0.30 . 1 . . . . . . . . 5631 1 133 . 1 1 13 13 ILE CG2 C 13 17.30 0.30 . 1 . . . . . . . . 5631 1 134 . 1 1 13 13 ILE CD1 C 13 13.54 0.30 . 1 . . . . . . . . 5631 1 135 . 1 1 13 13 ILE N N 15 126.38 0.40 . 1 . . . . . . . . 5631 1 136 . 1 1 14 14 ARG H H 1 8.40 0.03 . 1 . . . . . . . . 5631 1 137 . 1 1 14 14 ARG HA H 1 5.21 0.03 . 1 . . . . . . . . 5631 1 138 . 1 1 14 14 ARG HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5631 1 139 . 1 1 14 14 ARG HB3 H 1 1.62 0.03 . 2 . . . . . . . . 5631 1 140 . 1 1 14 14 ARG HG2 H 1 1.49 0.03 . 2 . . . . . . . . 5631 1 141 . 1 1 14 14 ARG HG3 H 1 1.29 0.03 . 2 . . . . . . . . 5631 1 142 . 1 1 14 14 ARG HD2 H 1 3.08 0.03 . 1 . . . . . . . . 5631 1 143 . 1 1 14 14 ARG HD3 H 1 3.08 0.03 . 1 . . . . . . . . 5631 1 144 . 1 1 14 14 ARG C C 13 175.94 0.10 . 1 . . . . . . . . 5631 1 145 . 1 1 14 14 ARG CA C 13 54.50 0.30 . 1 . . . . . . . . 5631 1 146 . 1 1 14 14 ARG CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1 147 . 1 1 14 14 ARG CG C 13 27.60 0.30 . 1 . . . . . . . . 5631 1 148 . 1 1 14 14 ARG CD C 13 43.20 0.30 . 1 . . . . . . . . 5631 1 149 . 1 1 14 14 ARG N N 15 126.48 0.40 . 1 . . . . . . . . 5631 1 150 . 1 1 15 15 VAL H H 1 9.03 0.03 . 1 . . . . . . . . 5631 1 151 . 1 1 15 15 VAL HA H 1 4.55 0.03 . 1 . . . . . . . . 5631 1 152 . 1 1 15 15 VAL HB H 1 1.85 0.03 . 1 . . . . . . . . 5631 1 153 . 1 1 15 15 VAL HG11 H 1 0.79 0.03 . 1 . . . . . . . . 5631 1 154 . 1 1 15 15 VAL HG12 H 1 0.79 0.03 . 1 . . . . . . . . 5631 1 155 . 1 1 15 15 VAL HG13 H 1 0.79 0.03 . 1 . . . . . . . . 5631 1 156 . 1 1 15 15 VAL HG21 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1 157 . 1 1 15 15 VAL HG22 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1 158 . 1 1 15 15 VAL HG23 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1 159 . 1 1 15 15 VAL C C 13 173.28 0.10 . 1 . . . . . . . . 5631 1 160 . 1 1 15 15 VAL CA C 13 59.60 0.30 . 1 . . . . . . . . 5631 1 161 . 1 1 15 15 VAL CB C 13 35.90 0.30 . 1 . . . . . . . . 5631 1 162 . 1 1 15 15 VAL CG1 C 13 58.10 0.30 . 1 . . . . . . . . 5631 1 163 . 1 1 15 15 VAL CG2 C 13 56.10 0.30 . 1 . . . . . . . . 5631 1 164 . 1 1 15 15 VAL N N 15 122.36 0.40 . 1 . . . . . . . . 5631 1 165 . 1 1 16 16 ARG H H 1 8.37 0.03 . 1 . . . . . . . . 5631 1 166 . 1 1 16 16 ARG HA H 1 5.13 0.03 . 1 . . . . . . . . 5631 1 167 . 1 1 16 16 ARG HB2 H 1 1.62 0.03 . 2 . . . . . . . . 5631 1 168 . 1 1 16 16 ARG HB3 H 1 1.56 0.03 . 2 . . . . . . . . 5631 1 169 . 1 1 16 16 ARG HG2 H 1 1.45 0.03 . 2 . . . . . . . . 5631 1 170 . 1 1 16 16 ARG HG3 H 1 1.29 0.03 . 2 . . . . . . . . 5631 1 171 . 1 1 16 16 ARG HD2 H 1 3.17 0.03 . 2 . . . . . . . . 5631 1 172 . 1 1 16 16 ARG HD3 H 1 3.10 0.03 . 2 . . . . . . . . 5631 1 173 . 1 1 16 16 ARG HE H 1 7.44 0.03 . 1 . . . . . . . . 5631 1 174 . 1 1 16 16 ARG C C 13 174.41 0.10 . 1 . . . . . . . . 5631 1 175 . 1 1 16 16 ARG CA C 13 54.60 0.30 . 1 . . . . . . . . 5631 1 176 . 1 1 16 16 ARG CB C 13 32.00 0.30 . 1 . . . . . . . . 5631 1 177 . 1 1 16 16 ARG CG C 13 27.80 0.30 . 1 . . . . . . . . 5631 1 178 . 1 1 16 16 ARG CD C 13 43.20 0.30 . 1 . . . . . . . . 5631 1 179 . 1 1 16 16 ARG N N 15 124.76 0.40 . 1 . . . . . . . . 5631 1 180 . 1 1 16 16 ARG NE N 15 109.64 0.40 . 1 . . . . . . . . 5631 1 181 . 1 1 17 17 VAL H H 1 8.87 0.03 . 1 . . . . . . . . 5631 1 182 . 1 1 17 17 VAL HA H 1 4.19 0.03 . 1 . . . . . . . . 5631 1 183 . 1 1 17 17 VAL HB H 1 1.87 0.03 . 1 . . . . . . . . 5631 1 184 . 1 1 17 17 VAL HG11 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1 185 . 1 1 17 17 VAL HG12 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1 186 . 1 1 17 17 VAL HG13 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1 187 . 1 1 17 17 VAL HG21 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 188 . 1 1 17 17 VAL HG22 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 189 . 1 1 17 17 VAL HG23 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 190 . 1 1 17 17 VAL C C 13 173.93 0.10 . 1 . . . . . . . . 5631 1 191 . 1 1 17 17 VAL CA C 13 60.70 0.30 . 1 . . . . . . . . 5631 1 192 . 1 1 17 17 VAL CB C 13 34.40 0.30 . 1 . . . . . . . . 5631 1 193 . 1 1 17 17 VAL CG1 C 13 59.00 0.30 . 1 . . . . . . . . 5631 1 194 . 1 1 17 17 VAL CG2 C 13 57.30 0.30 . 1 . . . . . . . . 5631 1 195 . 1 1 17 17 VAL N N 15 123.91 0.40 . 1 . . . . . . . . 5631 1 196 . 1 1 18 18 GLU H H 1 8.49 0.03 . 1 . . . . . . . . 5631 1 197 . 1 1 18 18 GLU HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 1 198 . 1 1 18 18 GLU HB2 H 1 1.84 0.03 . 1 . . . . . . . . 5631 1 199 . 1 1 18 18 GLU HB3 H 1 1.94 0.03 . 1 . . . . . . . . 5631 1 200 . 1 1 18 18 GLU HG2 H 1 2.17 0.03 . 1 . . . . . . . . 5631 1 201 . 1 1 18 18 GLU HG3 H 1 2.17 0.03 . 1 . . . . . . . . 5631 1 202 . 1 1 18 18 GLU C C 13 175.11 0.10 . 1 . . . . . . . . 5631 1 203 . 1 1 18 18 GLU CA C 13 54.60 0.30 . 1 . . . . . . . . 5631 1 204 . 1 1 18 18 GLU CB C 13 30.20 0.30 . 1 . . . . . . . . 5631 1 205 . 1 1 18 18 GLU CG C 13 35.50 0.30 . 1 . . . . . . . . 5631 1 206 . 1 1 18 18 GLU N N 15 127.10 0.40 . 1 . . . . . . . . 5631 1 207 . 1 1 19 19 LYS H H 1 8.09 0.03 . 1 . . . . . . . . 5631 1 208 . 1 1 19 19 LYS HA H 1 3.87 0.03 . 1 . . . . . . . . 5631 1 209 . 1 1 19 19 LYS HB2 H 1 1.61 0.03 . 1 . . . . . . . . 5631 1 210 . 1 1 19 19 LYS HB3 H 1 1.61 0.03 . 1 . . . . . . . . 5631 1 211 . 1 1 19 19 LYS HG2 H 1 1.52 0.03 . 1 . . . . . . . . 5631 1 212 . 1 1 19 19 LYS HG3 H 1 1.52 0.03 . 1 . . . . . . . . 5631 1 213 . 1 1 19 19 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1 214 . 1 1 19 19 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1 215 . 1 1 19 19 LYS HE2 H 1 2.99 0.03 . 2 . . . . . . . . 5631 1 216 . 1 1 19 19 LYS HE3 H 1 2.82 0.03 . 2 . . . . . . . . 5631 1 217 . 1 1 19 19 LYS C C 13 177.15 0.10 . 1 . . . . . . . . 5631 1 218 . 1 1 19 19 LYS CA C 13 57.30 0.30 . 1 . . . . . . . . 5631 1 219 . 1 1 19 19 LYS CB C 13 31.80 0.30 . 1 . . . . . . . . 5631 1 220 . 1 1 19 19 LYS CG C 13 27.40 0.30 . 1 . . . . . . . . 5631 1 221 . 1 1 19 19 LYS CD C 13 29.70 0.30 . 1 . . . . . . . . 5631 1 222 . 1 1 19 19 LYS CE C 13 42.40 0.30 . 1 . . . . . . . . 5631 1 223 . 1 1 19 19 LYS N N 15 122.05 0.40 . 1 . . . . . . . . 5631 1 224 . 1 1 20 20 ASP H H 1 8.22 0.03 . 1 . . . . . . . . 5631 1 225 . 1 1 20 20 ASP HA H 1 5.01 0.03 . 1 . . . . . . . . 5631 1 226 . 1 1 20 20 ASP HB2 H 1 2.67 0.03 . 2 . . . . . . . . 5631 1 227 . 1 1 20 20 ASP HB3 H 1 2.47 0.03 . 2 . . . . . . . . 5631 1 228 . 1 1 20 20 ASP CA C 13 53.60 0.30 . 1 . . . . . . . . 5631 1 229 . 1 1 20 20 ASP CB C 13 42.00 0.30 . 1 . . . . . . . . 5631 1 230 . 1 1 20 20 ASP N N 15 120.36 0.40 . 1 . . . . . . . . 5631 1 231 . 1 1 21 21 PRO HA H 1 4.42 0.03 . 1 . . . . . . . . 5631 1 232 . 1 1 21 21 PRO HB2 H 1 2.27 0.03 . 2 . . . . . . . . 5631 1 233 . 1 1 21 21 PRO HB3 H 1 2.21 0.03 . 2 . . . . . . . . 5631 1 234 . 1 1 21 21 PRO HG2 H 1 2.02 0.03 . 2 . . . . . . . . 5631 1 235 . 1 1 21 21 PRO HG3 H 1 1.81 0.03 . 2 . . . . . . . . 5631 1 236 . 1 1 21 21 PRO HD2 H 1 3.72 0.03 . 2 . . . . . . . . 5631 1 237 . 1 1 21 21 PRO HD3 H 1 3.59 0.03 . 2 . . . . . . . . 5631 1 238 . 1 1 21 21 PRO C C 13 177.01 0.10 . 1 . . . . . . . . 5631 1 239 . 1 1 21 21 PRO CA C 13 64.60 0.30 . 1 . . . . . . . . 5631 1 240 . 1 1 21 21 PRO CB C 13 33.60 0.30 . 1 . . . . . . . . 5631 1 241 . 1 1 21 21 PRO CG C 13 23.60 0.30 . 1 . . . . . . . . 5631 1 242 . 1 1 21 21 PRO CD C 13 14.50 0.30 . 1 . . . . . . . . 5631 1 243 . 1 1 22 22 GLU H H 1 7.83 0.03 . 1 . . . . . . . . 5631 1 244 . 1 1 22 22 GLU HA H 1 4.69 0.03 . 1 . . . . . . . . 5631 1 245 . 1 1 22 22 GLU HB2 H 1 1.89 0.03 . 1 . . . . . . . . 5631 1 246 . 1 1 22 22 GLU HB3 H 1 2.67 0.03 . 1 . . . . . . . . 5631 1 247 . 1 1 22 22 GLU HG2 H 1 2.17 0.03 . 1 . . . . . . . . 5631 1 248 . 1 1 22 22 GLU HG3 H 1 2.17 0.03 . 1 . . . . . . . . 5631 1 249 . 1 1 22 22 GLU C C 13 175.72 0.10 . 1 . . . . . . . . 5631 1 250 . 1 1 22 22 GLU CA C 13 54.70 0.30 . 1 . . . . . . . . 5631 1 251 . 1 1 22 22 GLU CB C 13 30.50 0.30 . 1 . . . . . . . . 5631 1 252 . 1 1 22 22 GLU CG C 13 36.90 0.30 . 1 . . . . . . . . 5631 1 253 . 1 1 22 22 GLU N N 15 122.75 0.40 . 1 . . . . . . . . 5631 1 254 . 1 1 23 23 LEU H H 1 11.22 0.06 . 1 . . . . . . . . 5631 1 255 . 1 1 23 23 LEU HA H 1 4.26 0.03 . 1 . . . . . . . . 5631 1 256 . 1 1 23 23 LEU HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5631 1 257 . 1 1 23 23 LEU HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5631 1 258 . 1 1 23 23 LEU HG H 1 1.55 0.03 . 1 . . . . . . . . 5631 1 259 . 1 1 23 23 LEU HD11 H 1 0.85 0.03 . 1 . . . . . . . . 5631 1 260 . 1 1 23 23 LEU HD12 H 1 0.85 0.03 . 1 . . . . . . . . 5631 1 261 . 1 1 23 23 LEU HD13 H 1 0.85 0.03 . 1 . . . . . . . . 5631 1 262 . 1 1 23 23 LEU HD21 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1 263 . 1 1 23 23 LEU HD22 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1 264 . 1 1 23 23 LEU HD23 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1 265 . 1 1 23 23 LEU C C 13 177.26 0.10 . 1 . . . . . . . . 5631 1 266 . 1 1 23 23 LEU CA C 13 57.10 0.30 . 1 . . . . . . . . 5631 1 267 . 1 1 23 23 LEU CB C 13 41.60 0.30 . 1 . . . . . . . . 5631 1 268 . 1 1 23 23 LEU CG C 13 27.90 0.30 . 1 . . . . . . . . 5631 1 269 . 1 1 23 23 LEU CD1 C 13 62.60 0.30 . 1 . . . . . . . . 5631 1 270 . 1 1 23 23 LEU CD2 C 13 60.60 0.30 . 1 . . . . . . . . 5631 1 271 . 1 1 23 23 LEU N N 15 124.20 0.40 . 1 . . . . . . . . 5631 1 272 . 1 1 24 24 GLY H H 1 9.01 0.03 . 1 . . . . . . . . 5631 1 273 . 1 1 24 24 GLY HA2 H 1 4.23 0.03 . 2 . . . . . . . . 5631 1 274 . 1 1 24 24 GLY HA3 H 1 4.11 0.03 . 2 . . . . . . . . 5631 1 275 . 1 1 24 24 GLY C C 13 176.61 0.10 . 1 . . . . . . . . 5631 1 276 . 1 1 24 24 GLY CA C 13 46.50 0.30 . 1 . . . . . . . . 5631 1 277 . 1 1 24 24 GLY N N 15 102.70 0.40 . 1 . . . . . . . . 5631 1 278 . 1 1 25 25 PHE H H 1 7.93 0.03 . 1 . . . . . . . . 5631 1 279 . 1 1 25 25 PHE HA H 1 5.27 0.03 . 1 . . . . . . . . 5631 1 280 . 1 1 25 25 PHE HB2 H 1 3.35 0.03 . 1 . . . . . . . . 5631 1 281 . 1 1 25 25 PHE HB3 H 1 2.94 0.03 . 1 . . . . . . . . 5631 1 282 . 1 1 25 25 PHE HD1 H 1 6.82 0.03 . 1 . . . . . . . . 5631 1 283 . 1 1 25 25 PHE HD2 H 1 6.82 0.03 . 1 . . . . . . . . 5631 1 284 . 1 1 25 25 PHE HE1 H 1 6.79 0.03 . 1 . . . . . . . . 5631 1 285 . 1 1 25 25 PHE HE2 H 1 6.79 0.03 . 1 . . . . . . . . 5631 1 286 . 1 1 25 25 PHE HZ H 1 6.70 0.03 . 1 . . . . . . . . 5631 1 287 . 1 1 25 25 PHE C C 13 170.39 0.10 . 1 . . . . . . . . 5631 1 288 . 1 1 25 25 PHE CA C 13 56.20 0.30 . 1 . . . . . . . . 5631 1 289 . 1 1 25 25 PHE CB C 13 40.90 0.30 . 1 . . . . . . . . 5631 1 290 . 1 1 25 25 PHE CD1 C 13 132.65 0.30 . 1 . . . . . . . . 5631 1 291 . 1 1 25 25 PHE CD2 C 13 132.65 0.30 . 1 . . . . . . . . 5631 1 292 . 1 1 25 25 PHE CE1 C 13 130.80 0.30 . 1 . . . . . . . . 5631 1 293 . 1 1 25 25 PHE CE2 C 13 130.80 0.30 . 1 . . . . . . . . 5631 1 294 . 1 1 25 25 PHE CZ C 13 127.40 0.30 . 1 . . . . . . . . 5631 1 295 . 1 1 25 25 PHE N N 15 116.77 0.40 . 1 . . . . . . . . 5631 1 296 . 1 1 26 26 SER H H 1 9.05 0.03 . 1 . . . . . . . . 5631 1 297 . 1 1 26 26 SER HA H 1 5.29 0.03 . 1 . . . . . . . . 5631 1 298 . 1 1 26 26 SER HB2 H 1 2.90 0.03 . 1 . . . . . . . . 5631 1 299 . 1 1 26 26 SER HB3 H 1 1.13 0.03 . 1 . . . . . . . . 5631 1 300 . 1 1 26 26 SER HG H 1 6.34 0.03 . 1 . . . . . . . . 5631 1 301 . 1 1 26 26 SER C C 13 175.27 0.10 . 1 . . . . . . . . 5631 1 302 . 1 1 26 26 SER CA C 13 53.50 0.30 . 1 . . . . . . . . 5631 1 303 . 1 1 26 26 SER CB C 13 65.10 0.30 . 1 . . . . . . . . 5631 1 304 . 1 1 26 26 SER N N 15 114.44 0.40 . 1 . . . . . . . . 5631 1 305 . 1 1 27 27 ILE H H 1 8.72 0.03 . 1 . . . . . . . . 5631 1 306 . 1 1 27 27 ILE HA H 1 5.82 0.03 . 1 . . . . . . . . 5631 1 307 . 1 1 27 27 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 5631 1 308 . 1 1 27 27 ILE HG12 H 1 1.44 0.03 . 2 . . . . . . . . 5631 1 309 . 1 1 27 27 ILE HG13 H 1 0.88 0.03 . 2 . . . . . . . . 5631 1 310 . 1 1 27 27 ILE HG21 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 311 . 1 1 27 27 ILE HG22 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 312 . 1 1 27 27 ILE HG23 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 313 . 1 1 27 27 ILE HD11 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1 314 . 1 1 27 27 ILE HD12 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1 315 . 1 1 27 27 ILE HD13 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1 316 . 1 1 27 27 ILE C C 13 174.84 0.10 . 1 . . . . . . . . 5631 1 317 . 1 1 27 27 ILE CA C 13 57.80 0.30 . 1 . . . . . . . . 5631 1 318 . 1 1 27 27 ILE CB C 13 43.10 0.30 . 1 . . . . . . . . 5631 1 319 . 1 1 27 27 ILE CG1 C 13 24.70 0.30 . 1 . . . . . . . . 5631 1 320 . 1 1 27 27 ILE CG2 C 13 19.70 0.30 . 1 . . . . . . . . 5631 1 321 . 1 1 27 27 ILE CD1 C 13 14.50 0.30 . 1 . . . . . . . . 5631 1 322 . 1 1 27 27 ILE N N 15 111.73 0.40 . 1 . . . . . . . . 5631 1 323 . 1 1 28 28 SER H H 1 8.92 0.03 . 1 . . . . . . . . 5631 1 324 . 1 1 28 28 SER HA H 1 5.19 0.03 . 1 . . . . . . . . 5631 1 325 . 1 1 28 28 SER HB2 H 1 4.18 0.03 . 2 . . . . . . . . 5631 1 326 . 1 1 28 28 SER HB3 H 1 4.07 0.03 . 2 . . . . . . . . 5631 1 327 . 1 1 28 28 SER C C 13 173.28 0.10 . 1 . . . . . . . . 5631 1 328 . 1 1 28 28 SER CA C 13 57.20 0.30 . 1 . . . . . . . . 5631 1 329 . 1 1 28 28 SER CB C 13 67.30 0.30 . 1 . . . . . . . . 5631 1 330 . 1 1 28 28 SER N N 15 114.82 0.40 . 1 . . . . . . . . 5631 1 331 . 1 1 29 29 GLY H H 1 9.23 0.03 . 1 . . . . . . . . 5631 1 332 . 1 1 29 29 GLY HA2 H 1 5.73 0.03 . 2 . . . . . . . . 5631 1 333 . 1 1 29 29 GLY HA3 H 1 3.99 0.03 . 2 . . . . . . . . 5631 1 334 . 1 1 29 29 GLY C C 13 175.82 0.10 . 1 . . . . . . . . 5631 1 335 . 1 1 29 29 GLY CA C 13 44.30 0.30 . 1 . . . . . . . . 5631 1 336 . 1 1 29 29 GLY N N 15 108.41 0.40 . 1 . . . . . . . . 5631 1 337 . 1 1 30 30 GLY H H 1 7.08 0.03 . 1 . . . . . . . . 5631 1 338 . 1 1 30 30 GLY HA2 H 1 4.71 0.03 . 2 . . . . . . . . 5631 1 339 . 1 1 30 30 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 5631 1 340 . 1 1 30 30 GLY C C 13 175.81 0.10 . 1 . . . . . . . . 5631 1 341 . 1 1 30 30 GLY CA C 13 43.90 0.30 . 1 . . . . . . . . 5631 1 342 . 1 1 30 30 GLY N N 15 108.52 0.40 . 1 . . . . . . . . 5631 1 343 . 1 1 31 31 VAL H H 1 8.11 0.03 . 1 . . . . . . . . 5631 1 344 . 1 1 31 31 VAL HA H 1 3.92 0.03 . 1 . . . . . . . . 5631 1 345 . 1 1 31 31 VAL HB H 1 1.66 0.03 . 1 . . . . . . . . 5631 1 346 . 1 1 31 31 VAL HG11 H 1 0.90 0.03 . 1 . . . . . . . . 5631 1 347 . 1 1 31 31 VAL HG12 H 1 0.90 0.03 . 1 . . . . . . . . 5631 1 348 . 1 1 31 31 VAL HG13 H 1 0.90 0.03 . 1 . . . . . . . . 5631 1 349 . 1 1 31 31 VAL HG21 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 350 . 1 1 31 31 VAL HG22 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 351 . 1 1 31 31 VAL HG23 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 352 . 1 1 31 31 VAL C C 13 178.63 0.10 . 1 . . . . . . . . 5631 1 353 . 1 1 31 31 VAL CA C 13 64.00 0.30 . 1 . . . . . . . . 5631 1 354 . 1 1 31 31 VAL CB C 13 31.90 0.30 . 1 . . . . . . . . 5631 1 355 . 1 1 31 31 VAL CG1 C 13 57.30 0.30 . 1 . . . . . . . . 5631 1 356 . 1 1 31 31 VAL CG2 C 13 56.90 0.30 . 1 . . . . . . . . 5631 1 357 . 1 1 31 31 VAL N N 15 123.13 0.40 . 1 . . . . . . . . 5631 1 358 . 1 1 32 32 GLY H H 1 9.55 0.03 . 1 . . . . . . . . 5631 1 359 . 1 1 32 32 GLY HA2 H 1 4.12 0.03 . 2 . . . . . . . . 5631 1 360 . 1 1 32 32 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 5631 1 361 . 1 1 32 32 GLY C C 13 175.15 0.10 . 1 . . . . . . . . 5631 1 362 . 1 1 32 32 GLY CA C 13 45.90 0.30 . 1 . . . . . . . . 5631 1 363 . 1 1 32 32 GLY N N 15 118.01 0.40 . 1 . . . . . . . . 5631 1 364 . 1 1 33 33 GLY H H 1 7.95 0.03 . 1 . . . . . . . . 5631 1 365 . 1 1 33 33 GLY HA2 H 1 4.27 0.03 . 2 . . . . . . . . 5631 1 366 . 1 1 33 33 GLY HA3 H 1 3.64 0.03 . 2 . . . . . . . . 5631 1 367 . 1 1 33 33 GLY C C 13 174.36 0.10 . 1 . . . . . . . . 5631 1 368 . 1 1 33 33 GLY CA C 13 44.40 0.30 . 1 . . . . . . . . 5631 1 369 . 1 1 33 33 GLY N N 15 107.10 0.40 . 1 . . . . . . . . 5631 1 370 . 1 1 34 34 ARG H H 1 8.64 0.03 . 1 . . . . . . . . 5631 1 371 . 1 1 34 34 ARG HA H 1 4.22 0.03 . 1 . . . . . . . . 5631 1 372 . 1 1 34 34 ARG HB2 H 1 1.99 0.03 . 2 . . . . . . . . 5631 1 373 . 1 1 34 34 ARG HB3 H 1 1.63 0.03 . 2 . . . . . . . . 5631 1 374 . 1 1 34 34 ARG HG2 H 1 1.44 0.03 . 1 . . . . . . . . 5631 1 375 . 1 1 34 34 ARG HG3 H 1 1.44 0.03 . 1 . . . . . . . . 5631 1 376 . 1 1 34 34 ARG HD2 H 1 2.88 0.03 . 2 . . . . . . . . 5631 1 377 . 1 1 34 34 ARG HD3 H 1 2.82 0.03 . 2 . . . . . . . . 5631 1 378 . 1 1 34 34 ARG C C 13 176.51 0.10 . 1 . . . . . . . . 5631 1 379 . 1 1 34 34 ARG CA C 13 55.60 0.30 . 1 . . . . . . . . 5631 1 380 . 1 1 34 34 ARG CB C 13 29.80 0.30 . 1 . . . . . . . . 5631 1 381 . 1 1 34 34 ARG CG C 13 27.10 0.30 . 1 . . . . . . . . 5631 1 382 . 1 1 34 34 ARG CD C 13 42.70 0.30 . 1 . . . . . . . . 5631 1 383 . 1 1 34 34 ARG N N 15 116.89 0.40 . 1 . . . . . . . . 5631 1 384 . 1 1 35 35 GLY H H 1 8.23 0.03 . 1 . . . . . . . . 5631 1 385 . 1 1 35 35 GLY HA2 H 1 4.36 0.03 . 2 . . . . . . . . 5631 1 386 . 1 1 35 35 GLY HA3 H 1 3.86 0.03 . 2 . . . . . . . . 5631 1 387 . 1 1 35 35 GLY C C 13 171.87 0.10 . 1 . . . . . . . . 5631 1 388 . 1 1 35 35 GLY CA C 13 44.30 0.30 . 1 . . . . . . . . 5631 1 389 . 1 1 35 35 GLY N N 15 107.28 0.40 . 1 . . . . . . . . 5631 1 390 . 1 1 36 36 ASN H H 1 7.86 0.03 . 1 . . . . . . . . 5631 1 391 . 1 1 36 36 ASN HA H 1 4.96 0.03 . 1 . . . . . . . . 5631 1 392 . 1 1 36 36 ASN HB2 H 1 2.48 0.03 . 2 . . . . . . . . 5631 1 393 . 1 1 36 36 ASN HB3 H 1 2.40 0.03 . 2 . . . . . . . . 5631 1 394 . 1 1 36 36 ASN HD21 H 1 6.77 0.03 . 1 . . . . . . . . 5631 1 395 . 1 1 36 36 ASN HD22 H 1 8.03 0.03 . 1 . . . . . . . . 5631 1 396 . 1 1 36 36 ASN CA C 13 51.20 0.30 . 1 . . . . . . . . 5631 1 397 . 1 1 36 36 ASN CB C 13 42.10 0.30 . 1 . . . . . . . . 5631 1 398 . 1 1 36 36 ASN N N 15 114.00 0.40 . 1 . . . . . . . . 5631 1 399 . 1 1 36 36 ASN ND2 N 15 120.29 0.40 . 1 . . . . . . . . 5631 1 400 . 1 1 37 37 PRO HA H 1 4.16 0.03 . 1 . . . . . . . . 5631 1 401 . 1 1 37 37 PRO HB2 H 1 1.74 0.03 . 2 . . . . . . . . 5631 1 402 . 1 1 37 37 PRO HB3 H 1 1.08 0.03 . 2 . . . . . . . . 5631 1 403 . 1 1 37 37 PRO HG2 H 1 1.48 0.03 . 2 . . . . . . . . 5631 1 404 . 1 1 37 37 PRO HG3 H 1 0.49 0.03 . 2 . . . . . . . . 5631 1 405 . 1 1 37 37 PRO HD2 H 1 3.39 0.03 . 2 . . . . . . . . 5631 1 406 . 1 1 37 37 PRO HD3 H 1 3.14 0.03 . 2 . . . . . . . . 5631 1 407 . 1 1 37 37 PRO C C 13 175.50 0.10 . 1 . . . . . . . . 5631 1 408 . 1 1 37 37 PRO CA C 13 63.30 0.30 . 1 . . . . . . . . 5631 1 409 . 1 1 37 37 PRO CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1 410 . 1 1 37 37 PRO CG C 13 25.80 0.30 . 1 . . . . . . . . 5631 1 411 . 1 1 37 37 PRO CD C 13 13.60 0.30 . 1 . . . . . . . . 5631 1 412 . 1 1 38 38 PHE H H 1 8.10 0.03 . 1 . . . . . . . . 5631 1 413 . 1 1 38 38 PHE HA H 1 4.34 0.03 . 1 . . . . . . . . 5631 1 414 . 1 1 38 38 PHE HB2 H 1 2.28 0.03 . 1 . . . . . . . . 5631 1 415 . 1 1 38 38 PHE HB3 H 1 3.24 0.03 . 1 . . . . . . . . 5631 1 416 . 1 1 38 38 PHE HD1 H 1 6.99 0.03 . 1 . . . . . . . . 5631 1 417 . 1 1 38 38 PHE HD2 H 1 6.99 0.03 . 1 . . . . . . . . 5631 1 418 . 1 1 38 38 PHE HE1 H 1 7.37 0.03 . 1 . . . . . . . . 5631 1 419 . 1 1 38 38 PHE HE2 H 1 7.37 0.03 . 1 . . . . . . . . 5631 1 420 . 1 1 38 38 PHE HZ H 1 7.55 0.03 . 1 . . . . . . . . 5631 1 421 . 1 1 38 38 PHE C C 13 176.54 0.10 . 1 . . . . . . . . 5631 1 422 . 1 1 38 38 PHE CA C 13 58.90 0.30 . 1 . . . . . . . . 5631 1 423 . 1 1 38 38 PHE CB C 13 39.90 0.30 . 1 . . . . . . . . 5631 1 424 . 1 1 38 38 PHE CD1 C 13 131.90 0.30 . 1 . . . . . . . . 5631 1 425 . 1 1 38 38 PHE CD2 C 13 131.90 0.30 . 1 . . . . . . . . 5631 1 426 . 1 1 38 38 PHE CE1 C 13 131.40 0.30 . 1 . . . . . . . . 5631 1 427 . 1 1 38 38 PHE CE2 C 13 131.40 0.30 . 1 . . . . . . . . 5631 1 428 . 1 1 38 38 PHE CZ C 13 130.10 0.30 . 1 . . . . . . . . 5631 1 429 . 1 1 38 38 PHE N N 15 119.87 0.40 . 1 . . . . . . . . 5631 1 430 . 1 1 39 39 ARG H H 1 8.75 0.03 . 1 . . . . . . . . 5631 1 431 . 1 1 39 39 ARG HA H 1 4.74 0.03 . 1 . . . . . . . . 5631 1 432 . 1 1 39 39 ARG HB2 H 1 1.80 0.03 . 2 . . . . . . . . 5631 1 433 . 1 1 39 39 ARG HB3 H 1 1.70 0.03 . 2 . . . . . . . . 5631 1 434 . 1 1 39 39 ARG HG2 H 1 1.67 0.03 . 2 . . . . . . . . 5631 1 435 . 1 1 39 39 ARG HG3 H 1 1.47 0.03 . 2 . . . . . . . . 5631 1 436 . 1 1 39 39 ARG HD2 H 1 3.39 0.03 . 2 . . . . . . . . 5631 1 437 . 1 1 39 39 ARG HD3 H 1 3.27 0.03 . 2 . . . . . . . . 5631 1 438 . 1 1 39 39 ARG HE H 1 7.82 0.03 . 1 . . . . . . . . 5631 1 439 . 1 1 39 39 ARG CA C 13 52.00 0.30 . 1 . . . . . . . . 5631 1 440 . 1 1 39 39 ARG CB C 13 31.60 0.30 . 1 . . . . . . . . 5631 1 441 . 1 1 39 39 ARG CG C 13 26.30 0.30 . 1 . . . . . . . . 5631 1 442 . 1 1 39 39 ARG CD C 13 43.10 0.30 . 1 . . . . . . . . 5631 1 443 . 1 1 39 39 ARG N N 15 119.18 0.40 . 1 . . . . . . . . 5631 1 444 . 1 1 39 39 ARG NE N 15 110.80 0.40 . 1 . . . . . . . . 5631 1 445 . 1 1 40 40 PRO HA H 1 4.32 0.03 . 1 . . . . . . . . 5631 1 446 . 1 1 40 40 PRO HB2 H 1 2.35 0.03 . 2 . . . . . . . . 5631 1 447 . 1 1 40 40 PRO HB3 H 1 1.89 0.03 . 2 . . . . . . . . 5631 1 448 . 1 1 40 40 PRO HG2 H 1 1.89 0.03 . 1 . . . . . . . . 5631 1 449 . 1 1 40 40 PRO HG3 H 1 1.89 0.03 . 1 . . . . . . . . 5631 1 450 . 1 1 40 40 PRO HD2 H 1 3.69 0.03 . 2 . . . . . . . . 5631 1 451 . 1 1 40 40 PRO HD3 H 1 3.36 0.03 . 2 . . . . . . . . 5631 1 452 . 1 1 40 40 PRO C C 13 176.42 0.10 . 1 . . . . . . . . 5631 1 453 . 1 1 40 40 PRO CA C 13 64.50 0.30 . 1 . . . . . . . . 5631 1 454 . 1 1 40 40 PRO CB C 13 32.20 0.30 . 1 . . . . . . . . 5631 1 455 . 1 1 40 40 PRO CG C 13 26.90 0.30 . 1 . . . . . . . . 5631 1 456 . 1 1 40 40 PRO CD C 13 14.50 0.30 . 1 . . . . . . . . 5631 1 457 . 1 1 41 41 ASP H H 1 8.47 0.03 . 1 . . . . . . . . 5631 1 458 . 1 1 41 41 ASP HA H 1 4.55 0.03 . 1 . . . . . . . . 5631 1 459 . 1 1 41 41 ASP HB2 H 1 2.69 0.03 . 1 . . . . . . . . 5631 1 460 . 1 1 41 41 ASP HB3 H 1 2.69 0.03 . 1 . . . . . . . . 5631 1 461 . 1 1 41 41 ASP C C 13 174.29 0.10 . 1 . . . . . . . . 5631 1 462 . 1 1 41 41 ASP CA C 13 53.80 0.30 . 1 . . . . . . . . 5631 1 463 . 1 1 41 41 ASP CB C 13 39.90 0.30 . 1 . . . . . . . . 5631 1 464 . 1 1 41 41 ASP N N 15 114.93 0.40 . 1 . . . . . . . . 5631 1 465 . 1 1 42 42 ASP H H 1 7.73 0.03 . 1 . . . . . . . . 5631 1 466 . 1 1 42 42 ASP HA H 1 4.84 0.03 . 1 . . . . . . . . 5631 1 467 . 1 1 42 42 ASP HB2 H 1 2.41 0.03 . 1 . . . . . . . . 5631 1 468 . 1 1 42 42 ASP HB3 H 1 3.25 0.03 . 1 . . . . . . . . 5631 1 469 . 1 1 42 42 ASP C C 13 176.25 0.10 . 1 . . . . . . . . 5631 1 470 . 1 1 42 42 ASP CA C 13 53.00 0.30 . 1 . . . . . . . . 5631 1 471 . 1 1 42 42 ASP CB C 13 44.50 0.30 . 1 . . . . . . . . 5631 1 472 . 1 1 42 42 ASP N N 15 121.98 0.40 . 1 . . . . . . . . 5631 1 473 . 1 1 43 43 ASP H H 1 8.48 0.03 . 1 . . . . . . . . 5631 1 474 . 1 1 43 43 ASP HA H 1 4.74 0.03 . 1 . . . . . . . . 5631 1 475 . 1 1 43 43 ASP HB2 H 1 2.95 0.03 . 1 . . . . . . . . 5631 1 476 . 1 1 43 43 ASP HB3 H 1 2.72 0.03 . 1 . . . . . . . . 5631 1 477 . 1 1 43 43 ASP C C 13 176.89 0.10 . 1 . . . . . . . . 5631 1 478 . 1 1 43 43 ASP CA C 13 54.50 0.30 . 1 . . . . . . . . 5631 1 479 . 1 1 43 43 ASP CB C 13 40.30 0.30 . 1 . . . . . . . . 5631 1 480 . 1 1 43 43 ASP N N 15 126.88 0.40 . 1 . . . . . . . . 5631 1 481 . 1 1 44 44 GLY H H 1 9.47 0.03 . 1 . . . . . . . . 5631 1 482 . 1 1 44 44 GLY HA2 H 1 4.46 0.03 . 2 . . . . . . . . 5631 1 483 . 1 1 44 44 GLY HA3 H 1 3.50 0.03 . 2 . . . . . . . . 5631 1 484 . 1 1 44 44 GLY C C 13 172.30 0.10 . 1 . . . . . . . . 5631 1 485 . 1 1 44 44 GLY CA C 13 44.80 0.30 . 1 . . . . . . . . 5631 1 486 . 1 1 44 44 GLY N N 15 107.28 0.40 . 1 . . . . . . . . 5631 1 487 . 1 1 45 45 ILE H H 1 9.09 0.03 . 1 . . . . . . . . 5631 1 488 . 1 1 45 45 ILE HA H 1 4.87 0.03 . 1 . . . . . . . . 5631 1 489 . 1 1 45 45 ILE HB H 1 2.39 0.03 . 1 . . . . . . . . 5631 1 490 . 1 1 45 45 ILE HG12 H 1 1.89 0.03 . 2 . . . . . . . . 5631 1 491 . 1 1 45 45 ILE HG13 H 1 1.16 0.03 . 2 . . . . . . . . 5631 1 492 . 1 1 45 45 ILE HG21 H 1 0.91 0.03 . 1 . . . . . . . . 5631 1 493 . 1 1 45 45 ILE HG22 H 1 0.91 0.03 . 1 . . . . . . . . 5631 1 494 . 1 1 45 45 ILE HG23 H 1 0.91 0.03 . 1 . . . . . . . . 5631 1 495 . 1 1 45 45 ILE HD11 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1 496 . 1 1 45 45 ILE HD12 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1 497 . 1 1 45 45 ILE HD13 H 1 0.44 0.03 . 1 . . . . . . . . 5631 1 498 . 1 1 45 45 ILE C C 13 174.74 0.10 . 1 . . . . . . . . 5631 1 499 . 1 1 45 45 ILE CA C 13 57.20 0.30 . 1 . . . . . . . . 5631 1 500 . 1 1 45 45 ILE CB C 13 35.90 0.30 . 1 . . . . . . . . 5631 1 501 . 1 1 45 45 ILE CG1 C 13 25.80 0.30 . 1 . . . . . . . . 5631 1 502 . 1 1 45 45 ILE CG2 C 13 18.60 0.30 . 1 . . . . . . . . 5631 1 503 . 1 1 45 45 ILE CD1 C 13 44.30 0.30 . 1 . . . . . . . . 5631 1 504 . 1 1 45 45 ILE N N 15 119.85 0.40 . 1 . . . . . . . . 5631 1 505 . 1 1 46 46 PHE H H 1 9.18 0.03 . 1 . . . . . . . . 5631 1 506 . 1 1 46 46 PHE HA H 1 5.23 0.03 . 1 . . . . . . . . 5631 1 507 . 1 1 46 46 PHE HB2 H 1 2.80 0.03 . 2 . . . . . . . . 5631 1 508 . 1 1 46 46 PHE HB3 H 1 2.69 0.03 . 2 . . . . . . . . 5631 1 509 . 1 1 46 46 PHE HD1 H 1 6.98 0.03 . 1 . . . . . . . . 5631 1 510 . 1 1 46 46 PHE HD2 H 1 6.98 0.03 . 1 . . . . . . . . 5631 1 511 . 1 1 46 46 PHE HE1 H 1 7.12 0.03 . 1 . . . . . . . . 5631 1 512 . 1 1 46 46 PHE HE2 H 1 7.12 0.03 . 1 . . . . . . . . 5631 1 513 . 1 1 46 46 PHE HZ H 1 7.14 0.03 . 1 . . . . . . . . 5631 1 514 . 1 1 46 46 PHE C C 13 177.68 0.10 . 1 . . . . . . . . 5631 1 515 . 1 1 46 46 PHE CA C 13 56.40 0.30 . 1 . . . . . . . . 5631 1 516 . 1 1 46 46 PHE CB C 13 42.50 0.30 . 1 . . . . . . . . 5631 1 517 . 1 1 46 46 PHE CD1 C 13 131.90 0.30 . 1 . . . . . . . . 5631 1 518 . 1 1 46 46 PHE CD2 C 13 131.90 0.30 . 1 . . . . . . . . 5631 1 519 . 1 1 46 46 PHE CE1 C 13 130.00 0.30 . 1 . . . . . . . . 5631 1 520 . 1 1 46 46 PHE CE2 C 13 130.00 0.30 . 1 . . . . . . . . 5631 1 521 . 1 1 46 46 PHE CZ C 13 130.00 0.30 . 1 . . . . . . . . 5631 1 522 . 1 1 46 46 PHE N N 15 124.13 0.40 . 1 . . . . . . . . 5631 1 523 . 1 1 47 47 VAL H H 1 9.51 0.03 . 1 . . . . . . . . 5631 1 524 . 1 1 47 47 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . 5631 1 525 . 1 1 47 47 VAL HB H 1 2.07 0.03 . 1 . . . . . . . . 5631 1 526 . 1 1 47 47 VAL HG11 H 1 0.43 0.03 . 1 . . . . . . . . 5631 1 527 . 1 1 47 47 VAL HG12 H 1 0.43 0.03 . 1 . . . . . . . . 5631 1 528 . 1 1 47 47 VAL HG13 H 1 0.43 0.03 . 1 . . . . . . . . 5631 1 529 . 1 1 47 47 VAL HG21 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 530 . 1 1 47 47 VAL HG22 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 531 . 1 1 47 47 VAL HG23 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 532 . 1 1 47 47 VAL C C 13 176.04 0.10 . 1 . . . . . . . . 5631 1 533 . 1 1 47 47 VAL CA C 13 63.40 0.30 . 1 . . . . . . . . 5631 1 534 . 1 1 47 47 VAL CB C 13 31.30 0.30 . 1 . . . . . . . . 5631 1 535 . 1 1 47 47 VAL CG1 C 13 57.50 0.30 . 1 . . . . . . . . 5631 1 536 . 1 1 47 47 VAL CG2 C 13 57.20 0.30 . 1 . . . . . . . . 5631 1 537 . 1 1 47 47 VAL N N 15 126.31 0.40 . 1 . . . . . . . . 5631 1 538 . 1 1 48 48 THR H H 1 9.28 0.03 . 1 . . . . . . . . 5631 1 539 . 1 1 48 48 THR HA H 1 4.83 0.03 . 1 . . . . . . . . 5631 1 540 . 1 1 48 48 THR HB H 1 4.07 0.03 . 1 . . . . . . . . 5631 1 541 . 1 1 48 48 THR HG21 H 1 1.13 0.03 . 1 . . . . . . . . 5631 1 542 . 1 1 48 48 THR HG22 H 1 1.13 0.03 . 1 . . . . . . . . 5631 1 543 . 1 1 48 48 THR HG23 H 1 1.13 0.03 . 1 . . . . . . . . 5631 1 544 . 1 1 48 48 THR C C 13 172.19 0.10 . 1 . . . . . . . . 5631 1 545 . 1 1 48 48 THR CA C 13 65.60 0.30 . 1 . . . . . . . . 5631 1 546 . 1 1 48 48 THR CB C 13 68.70 0.30 . 1 . . . . . . . . 5631 1 547 . 1 1 48 48 THR CG2 C 13 20.70 0.30 . 1 . . . . . . . . 5631 1 548 . 1 1 48 48 THR N N 15 127.60 0.40 . 1 . . . . . . . . 5631 1 549 . 1 1 49 49 ARG H H 1 7.60 0.03 . 1 . . . . . . . . 5631 1 550 . 1 1 49 49 ARG HA H 1 4.71 0.03 . 1 . . . . . . . . 5631 1 551 . 1 1 49 49 ARG HB2 H 1 1.81 0.03 . 2 . . . . . . . . 5631 1 552 . 1 1 49 49 ARG HB3 H 1 1.74 0.03 . 2 . . . . . . . . 5631 1 553 . 1 1 49 49 ARG HG2 H 1 1.80 0.03 . 2 . . . . . . . . 5631 1 554 . 1 1 49 49 ARG HG3 H 1 1.60 0.03 . 2 . . . . . . . . 5631 1 555 . 1 1 49 49 ARG HD2 H 1 3.46 0.03 . 2 . . . . . . . . 5631 1 556 . 1 1 49 49 ARG HD3 H 1 3.33 0.03 . 2 . . . . . . . . 5631 1 557 . 1 1 49 49 ARG HE H 1 8.97 0.03 . 1 . . . . . . . . 5631 1 558 . 1 1 49 49 ARG C C 13 176.10 0.10 . 1 . . . . . . . . 5631 1 559 . 1 1 49 49 ARG CA C 13 55.00 0.30 . 1 . . . . . . . . 5631 1 560 . 1 1 49 49 ARG CB C 13 35.90 0.30 . 1 . . . . . . . . 5631 1 561 . 1 1 49 49 ARG CG C 13 28.40 0.30 . 1 . . . . . . . . 5631 1 562 . 1 1 49 49 ARG CD C 13 44.20 0.30 . 1 . . . . . . . . 5631 1 563 . 1 1 49 49 ARG N N 15 119.53 0.40 . 1 . . . . . . . . 5631 1 564 . 1 1 49 49 ARG NE N 15 113.74 0.40 . 1 . . . . . . . . 5631 1 565 . 1 1 50 50 VAL H H 1 8.64 0.03 . 1 . . . . . . . . 5631 1 566 . 1 1 50 50 VAL HA H 1 4.41 0.03 . 1 . . . . . . . . 5631 1 567 . 1 1 50 50 VAL HB H 1 1.86 0.03 . 1 . . . . . . . . 5631 1 568 . 1 1 50 50 VAL HG11 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1 569 . 1 1 50 50 VAL HG12 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1 570 . 1 1 50 50 VAL HG13 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1 571 . 1 1 50 50 VAL HG21 H 1 0.48 0.03 . 1 . . . . . . . . 5631 1 572 . 1 1 50 50 VAL HG22 H 1 0.48 0.03 . 1 . . . . . . . . 5631 1 573 . 1 1 50 50 VAL HG23 H 1 0.48 0.03 . 1 . . . . . . . . 5631 1 574 . 1 1 50 50 VAL C C 13 176.37 0.10 . 1 . . . . . . . . 5631 1 575 . 1 1 50 50 VAL CA C 13 61.20 0.30 . 1 . . . . . . . . 5631 1 576 . 1 1 50 50 VAL CB C 13 35.10 0.30 . 1 . . . . . . . . 5631 1 577 . 1 1 50 50 VAL CG1 C 13 57.80 0.30 . 1 . . . . . . . . 5631 1 578 . 1 1 50 50 VAL CG2 C 13 56.70 0.30 . 1 . . . . . . . . 5631 1 579 . 1 1 50 50 VAL N N 15 118.77 0.40 . 1 . . . . . . . . 5631 1 580 . 1 1 51 51 GLN H H 1 8.63 0.03 . 1 . . . . . . . . 5631 1 581 . 1 1 51 51 GLN HA H 1 4.73 0.03 . 1 . . . . . . . . 5631 1 582 . 1 1 51 51 GLN HB2 H 1 2.31 0.03 . 2 . . . . . . . . 5631 1 583 . 1 1 51 51 GLN HB3 H 1 2.18 0.03 . 2 . . . . . . . . 5631 1 584 . 1 1 51 51 GLN HG2 H 1 2.39 0.03 . 1 . . . . . . . . 5631 1 585 . 1 1 51 51 GLN HG3 H 1 2.39 0.03 . 1 . . . . . . . . 5631 1 586 . 1 1 51 51 GLN HE21 H 1 6.81 0.03 . 1 . . . . . . . . 5631 1 587 . 1 1 51 51 GLN HE22 H 1 7.29 0.03 . 1 . . . . . . . . 5631 1 588 . 1 1 51 51 GLN CA C 13 54.40 0.30 . 1 . . . . . . . . 5631 1 589 . 1 1 51 51 GLN CB C 13 29.10 0.30 . 1 . . . . . . . . 5631 1 590 . 1 1 51 51 GLN CG C 13 32.60 0.30 . 1 . . . . . . . . 5631 1 591 . 1 1 51 51 GLN N N 15 129.09 0.40 . 1 . . . . . . . . 5631 1 592 . 1 1 51 51 GLN NE2 N 15 110.86 0.40 . 1 . . . . . . . . 5631 1 593 . 1 1 52 52 PRO HA H 1 4.46 0.03 . 1 . . . . . . . . 5631 1 594 . 1 1 52 52 PRO HB2 H 1 2.43 0.03 . 2 . . . . . . . . 5631 1 595 . 1 1 52 52 PRO HB3 H 1 2.06 0.03 . 2 . . . . . . . . 5631 1 596 . 1 1 52 52 PRO HG2 H 1 2.18 0.03 . 2 . . . . . . . . 5631 1 597 . 1 1 52 52 PRO HG3 H 1 2.15 0.03 . 2 . . . . . . . . 5631 1 598 . 1 1 52 52 PRO HD2 H 1 4.23 0.03 . 2 . . . . . . . . 5631 1 599 . 1 1 52 52 PRO HD3 H 1 3.87 0.03 . 2 . . . . . . . . 5631 1 600 . 1 1 52 52 PRO C C 13 177.16 0.10 . 1 . . . . . . . . 5631 1 601 . 1 1 52 52 PRO CA C 13 64.60 0.30 . 1 . . . . . . . . 5631 1 602 . 1 1 52 52 PRO CB C 13 31.90 0.30 . 1 . . . . . . . . 5631 1 603 . 1 1 52 52 PRO CG C 13 27.50 0.30 . 1 . . . . . . . . 5631 1 604 . 1 1 52 52 PRO CD C 13 15.70 0.30 . 1 . . . . . . . . 5631 1 605 . 1 1 53 53 GLU H H 1 8.71 0.03 . 1 . . . . . . . . 5631 1 606 . 1 1 53 53 GLU HA H 1 4.37 0.03 . 1 . . . . . . . . 5631 1 607 . 1 1 53 53 GLU HB3 H 1 2.08 0.03 . 2 . . . . . . . . 5631 1 608 . 1 1 53 53 GLU HG2 H 1 2.23 0.03 . 1 . . . . . . . . 5631 1 609 . 1 1 53 53 GLU HG3 H 1 2.23 0.03 . 1 . . . . . . . . 5631 1 610 . 1 1 53 53 GLU C C 13 176.38 0.10 . 1 . . . . . . . . 5631 1 611 . 1 1 53 53 GLU CA C 13 56.60 0.30 . 1 . . . . . . . . 5631 1 612 . 1 1 53 53 GLU CB C 13 28.50 0.30 . 1 . . . . . . . . 5631 1 613 . 1 1 53 53 GLU CG C 13 36.40 0.30 . 1 . . . . . . . . 5631 1 614 . 1 1 53 53 GLU N N 15 115.68 0.40 . 1 . . . . . . . . 5631 1 615 . 1 1 54 54 GLY H H 1 7.70 0.03 . 1 . . . . . . . . 5631 1 616 . 1 1 54 54 GLY HA2 H 1 4.61 0.03 . 2 . . . . . . . . 5631 1 617 . 1 1 54 54 GLY HA3 H 1 4.06 0.03 . 2 . . . . . . . . 5631 1 618 . 1 1 54 54 GLY CA C 13 45.40 0.30 . 1 . . . . . . . . 5631 1 619 . 1 1 54 54 GLY N N 15 106.55 0.40 . 1 . . . . . . . . 5631 1 620 . 1 1 55 55 PRO HA H 1 4.40 0.03 . 1 . . . . . . . . 5631 1 621 . 1 1 55 55 PRO HB2 H 1 2.64 0.03 . 2 . . . . . . . . 5631 1 622 . 1 1 55 55 PRO HB3 H 1 2.27 0.03 . 2 . . . . . . . . 5631 1 623 . 1 1 55 55 PRO HG2 H 1 2.45 0.03 . 2 . . . . . . . . 5631 1 624 . 1 1 55 55 PRO HG3 H 1 2.11 0.03 . 2 . . . . . . . . 5631 1 625 . 1 1 55 55 PRO HD2 H 1 3.83 0.03 . 2 . . . . . . . . 5631 1 626 . 1 1 55 55 PRO HD3 H 1 3.46 0.03 . 2 . . . . . . . . 5631 1 627 . 1 1 55 55 PRO C C 13 178.15 0.10 . 1 . . . . . . . . 5631 1 628 . 1 1 55 55 PRO CA C 13 65.10 0.30 . 1 . . . . . . . . 5631 1 629 . 1 1 55 55 PRO CB C 13 32.90 0.30 . 1 . . . . . . . . 5631 1 630 . 1 1 55 55 PRO CG C 13 27.60 0.30 . 1 . . . . . . . . 5631 1 631 . 1 1 55 55 PRO CD C 13 14.00 0.30 . 1 . . . . . . . . 5631 1 632 . 1 1 56 56 ALA H H 1 8.40 0.03 . 1 . . . . . . . . 5631 1 633 . 1 1 56 56 ALA HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 1 634 . 1 1 56 56 ALA HB1 H 1 1.59 0.03 . 1 . . . . . . . . 5631 1 635 . 1 1 56 56 ALA HB2 H 1 1.59 0.03 . 1 . . . . . . . . 5631 1 636 . 1 1 56 56 ALA HB3 H 1 1.59 0.03 . 1 . . . . . . . . 5631 1 637 . 1 1 56 56 ALA C C 13 178.01 0.10 . 1 . . . . . . . . 5631 1 638 . 1 1 56 56 ALA CA C 13 51.50 0.30 . 1 . . . . . . . . 5631 1 639 . 1 1 56 56 ALA CB C 13 20.20 0.30 . 1 . . . . . . . . 5631 1 640 . 1 1 56 56 ALA N N 15 119.56 0.40 . 1 . . . . . . . . 5631 1 641 . 1 1 57 57 SER H H 1 7.72 0.03 . 1 . . . . . . . . 5631 1 642 . 1 1 57 57 SER HA H 1 3.95 0.03 . 1 . . . . . . . . 5631 1 643 . 1 1 57 57 SER HB2 H 1 4.07 0.03 . 1 . . . . . . . . 5631 1 644 . 1 1 57 57 SER HB3 H 1 4.16 0.03 . 1 . . . . . . . . 5631 1 645 . 1 1 57 57 SER C C 13 174.03 0.10 . 1 . . . . . . . . 5631 1 646 . 1 1 57 57 SER CA C 13 61.40 0.30 . 1 . . . . . . . . 5631 1 647 . 1 1 57 57 SER CB C 13 63.50 0.30 . 1 . . . . . . . . 5631 1 648 . 1 1 57 57 SER N N 15 115.98 0.40 . 1 . . . . . . . . 5631 1 649 . 1 1 58 58 LYS H H 1 8.64 0.03 . 1 . . . . . . . . 5631 1 650 . 1 1 58 58 LYS HA H 1 4.38 0.03 . 1 . . . . . . . . 5631 1 651 . 1 1 58 58 LYS HB2 H 1 2.04 0.03 . 2 . . . . . . . . 5631 1 652 . 1 1 58 58 LYS HB3 H 1 1.82 0.03 . 2 . . . . . . . . 5631 1 653 . 1 1 58 58 LYS HG2 H 1 1.50 0.03 . 2 . . . . . . . . 5631 1 654 . 1 1 58 58 LYS HG3 H 1 1.43 0.03 . 2 . . . . . . . . 5631 1 655 . 1 1 58 58 LYS HD2 H 1 1.70 0.03 . 2 . . . . . . . . 5631 1 656 . 1 1 58 58 LYS HD3 H 1 1.67 0.03 . 2 . . . . . . . . 5631 1 657 . 1 1 58 58 LYS HE2 H 1 3.00 0.03 . 1 . . . . . . . . 5631 1 658 . 1 1 58 58 LYS HE3 H 1 3.00 0.03 . 1 . . . . . . . . 5631 1 659 . 1 1 58 58 LYS C C 13 176.39 0.10 . 1 . . . . . . . . 5631 1 660 . 1 1 58 58 LYS CA C 13 56.70 0.30 . 1 . . . . . . . . 5631 1 661 . 1 1 58 58 LYS CB C 13 31.90 0.30 . 1 . . . . . . . . 5631 1 662 . 1 1 58 58 LYS CG C 13 25.10 0.30 . 1 . . . . . . . . 5631 1 663 . 1 1 58 58 LYS CD C 13 28.60 0.30 . 1 . . . . . . . . 5631 1 664 . 1 1 58 58 LYS CE C 13 41.90 0.30 . 1 . . . . . . . . 5631 1 665 . 1 1 58 58 LYS N N 15 118.79 0.40 . 1 . . . . . . . . 5631 1 666 . 1 1 59 59 LEU H H 1 7.61 0.03 . 1 . . . . . . . . 5631 1 667 . 1 1 59 59 LEU HA H 1 4.47 0.03 . 1 . . . . . . . . 5631 1 668 . 1 1 59 59 LEU HB2 H 1 1.44 0.03 . 1 . . . . . . . . 5631 1 669 . 1 1 59 59 LEU HB3 H 1 1.32 0.03 . 1 . . . . . . . . 5631 1 670 . 1 1 59 59 LEU HG H 1 1.57 0.03 . 1 . . . . . . . . 5631 1 671 . 1 1 59 59 LEU HD11 H 1 1.07 0.03 . 1 . . . . . . . . 5631 1 672 . 1 1 59 59 LEU HD12 H 1 1.07 0.03 . 1 . . . . . . . . 5631 1 673 . 1 1 59 59 LEU HD13 H 1 1.07 0.03 . 1 . . . . . . . . 5631 1 674 . 1 1 59 59 LEU HD21 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 675 . 1 1 59 59 LEU HD22 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 676 . 1 1 59 59 LEU HD23 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 677 . 1 1 59 59 LEU C C 13 175.97 0.10 . 1 . . . . . . . . 5631 1 678 . 1 1 59 59 LEU CA C 13 55.60 0.30 . 1 . . . . . . . . 5631 1 679 . 1 1 59 59 LEU CB C 13 46.00 0.30 . 1 . . . . . . . . 5631 1 680 . 1 1 59 59 LEU CG C 13 26.70 0.30 . 1 . . . . . . . . 5631 1 681 . 1 1 59 59 LEU CD1 C 13 62.50 0.30 . 1 . . . . . . . . 5631 1 682 . 1 1 59 59 LEU CD2 C 13 58.40 0.30 . 1 . . . . . . . . 5631 1 683 . 1 1 59 59 LEU N N 15 118.38 0.40 . 1 . . . . . . . . 5631 1 684 . 1 1 60 60 LEU H H 1 7.66 0.03 . 1 . . . . . . . . 5631 1 685 . 1 1 60 60 LEU HA H 1 4.46 0.03 . 1 . . . . . . . . 5631 1 686 . 1 1 60 60 LEU HB2 H 1 1.28 0.03 . 1 . . . . . . . . 5631 1 687 . 1 1 60 60 LEU HB3 H 1 1.03 0.03 . 1 . . . . . . . . 5631 1 688 . 1 1 60 60 LEU HG H 1 1.21 0.03 . 1 . . . . . . . . 5631 1 689 . 1 1 60 60 LEU HD11 H 1 -0.03 0.03 . 1 . . . . . . . . 5631 1 690 . 1 1 60 60 LEU HD12 H 1 -0.03 0.03 . 1 . . . . . . . . 5631 1 691 . 1 1 60 60 LEU HD13 H 1 -0.03 0.03 . 1 . . . . . . . . 5631 1 692 . 1 1 60 60 LEU HD21 H 1 0.58 0.03 . 1 . . . . . . . . 5631 1 693 . 1 1 60 60 LEU HD22 H 1 0.58 0.03 . 1 . . . . . . . . 5631 1 694 . 1 1 60 60 LEU HD23 H 1 0.58 0.03 . 1 . . . . . . . . 5631 1 695 . 1 1 60 60 LEU C C 13 174.60 0.10 . 1 . . . . . . . . 5631 1 696 . 1 1 60 60 LEU CA C 13 52.30 0.30 . 1 . . . . . . . . 5631 1 697 . 1 1 60 60 LEU CB C 13 45.60 0.30 . 1 . . . . . . . . 5631 1 698 . 1 1 60 60 LEU CG C 13 26.80 0.30 . 1 . . . . . . . . 5631 1 699 . 1 1 60 60 LEU CD1 C 13 62.30 0.30 . 1 . . . . . . . . 5631 1 700 . 1 1 60 60 LEU CD2 C 13 60.10 0.30 . 1 . . . . . . . . 5631 1 701 . 1 1 60 60 LEU N N 15 116.50 0.40 . 1 . . . . . . . . 5631 1 702 . 1 1 61 61 GLN H H 1 8.80 0.03 . 1 . . . . . . . . 5631 1 703 . 1 1 61 61 GLN HA H 1 4.67 0.03 . 1 . . . . . . . . 5631 1 704 . 1 1 61 61 GLN HB2 H 1 1.90 0.03 . 2 . . . . . . . . 5631 1 705 . 1 1 61 61 GLN HB3 H 1 1.68 0.03 . 2 . . . . . . . . 5631 1 706 . 1 1 61 61 GLN HG2 H 1 2.24 0.03 . 2 . . . . . . . . 5631 1 707 . 1 1 61 61 GLN HG3 H 1 2.04 0.03 . 2 . . . . . . . . 5631 1 708 . 1 1 61 61 GLN HE21 H 1 6.74 0.03 . 1 . . . . . . . . 5631 1 709 . 1 1 61 61 GLN HE22 H 1 7.36 0.03 . 1 . . . . . . . . 5631 1 710 . 1 1 61 61 GLN CA C 13 52.20 0.30 . 1 . . . . . . . . 5631 1 711 . 1 1 61 61 GLN CB C 13 30.30 0.30 . 1 . . . . . . . . 5631 1 712 . 1 1 61 61 GLN CG C 13 32.60 0.30 . 1 . . . . . . . . 5631 1 713 . 1 1 61 61 GLN N N 15 118.84 0.40 . 1 . . . . . . . . 5631 1 714 . 1 1 61 61 GLN NE2 N 15 110.86 0.40 . 1 . . . . . . . . 5631 1 715 . 1 1 62 62 PRO HA H 1 3.74 0.03 . 1 . . . . . . . . 5631 1 716 . 1 1 62 62 PRO HB2 H 1 2.64 0.03 . 2 . . . . . . . . 5631 1 717 . 1 1 62 62 PRO HB3 H 1 1.84 0.03 . 2 . . . . . . . . 5631 1 718 . 1 1 62 62 PRO HG2 H 1 2.27 0.03 . 2 . . . . . . . . 5631 1 719 . 1 1 62 62 PRO HG3 H 1 1.88 0.03 . 2 . . . . . . . . 5631 1 720 . 1 1 62 62 PRO HD2 H 1 3.63 0.03 . 2 . . . . . . . . 5631 1 721 . 1 1 62 62 PRO HD3 H 1 3.55 0.03 . 2 . . . . . . . . 5631 1 722 . 1 1 62 62 PRO C C 13 177.37 0.10 . 1 . . . . . . . . 5631 1 723 . 1 1 62 62 PRO CA C 13 63.40 0.30 . 1 . . . . . . . . 5631 1 724 . 1 1 62 62 PRO CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1 725 . 1 1 62 62 PRO CG C 13 28.50 0.30 . 1 . . . . . . . . 5631 1 726 . 1 1 62 62 PRO CD C 13 14.80 0.30 . 1 . . . . . . . . 5631 1 727 . 1 1 63 63 GLY H H 1 8.66 0.03 . 1 . . . . . . . . 5631 1 728 . 1 1 63 63 GLY HA2 H 1 3.70 0.03 . 2 . . . . . . . . 5631 1 729 . 1 1 63 63 GLY HA3 H 1 1.93 0.03 . 2 . . . . . . . . 5631 1 730 . 1 1 63 63 GLY C C 13 173.94 0.10 . 1 . . . . . . . . 5631 1 731 . 1 1 63 63 GLY CA C 13 43.70 0.30 . 1 . . . . . . . . 5631 1 732 . 1 1 63 63 GLY N N 15 116.95 0.40 . 1 . . . . . . . . 5631 1 733 . 1 1 64 64 ASP H H 1 7.59 0.03 . 1 . . . . . . . . 5631 1 734 . 1 1 64 64 ASP HA H 1 4.42 0.03 . 1 . . . . . . . . 5631 1 735 . 1 1 64 64 ASP HB2 H 1 2.43 0.03 . 2 . . . . . . . . 5631 1 736 . 1 1 64 64 ASP HB3 H 1 2.07 0.03 . 2 . . . . . . . . 5631 1 737 . 1 1 64 64 ASP C C 13 174.24 0.10 . 1 . . . . . . . . 5631 1 738 . 1 1 64 64 ASP CA C 13 55.50 0.30 . 1 . . . . . . . . 5631 1 739 . 1 1 64 64 ASP CB C 13 41.40 0.30 . 1 . . . . . . . . 5631 1 740 . 1 1 64 64 ASP N N 15 123.20 0.40 . 1 . . . . . . . . 5631 1 741 . 1 1 65 65 LYS H H 1 8.32 0.03 . 1 . . . . . . . . 5631 1 742 . 1 1 65 65 LYS HA H 1 4.38 0.03 . 1 . . . . . . . . 5631 1 743 . 1 1 65 65 LYS HB2 H 1 1.54 0.03 . 2 . . . . . . . . 5631 1 744 . 1 1 65 65 LYS HB3 H 1 1.24 0.03 . 2 . . . . . . . . 5631 1 745 . 1 1 65 65 LYS HG2 H 1 0.56 0.03 . 2 . . . . . . . . 5631 1 746 . 1 1 65 65 LYS HG3 H 1 0.25 0.03 . 2 . . . . . . . . 5631 1 747 . 1 1 65 65 LYS HD2 H 1 1.41 0.03 . 2 . . . . . . . . 5631 1 748 . 1 1 65 65 LYS HD3 H 1 1.31 0.03 . 2 . . . . . . . . 5631 1 749 . 1 1 65 65 LYS HE2 H 1 2.72 0.03 . 2 . . . . . . . . 5631 1 750 . 1 1 65 65 LYS HE3 H 1 2.65 0.03 . 2 . . . . . . . . 5631 1 751 . 1 1 65 65 LYS C C 13 176.57 0.10 . 1 . . . . . . . . 5631 1 752 . 1 1 65 65 LYS CA C 13 54.40 0.30 . 1 . . . . . . . . 5631 1 753 . 1 1 65 65 LYS CB C 13 34.80 0.30 . 1 . . . . . . . . 5631 1 754 . 1 1 65 65 LYS CG C 13 24.80 0.30 . 1 . . . . . . . . 5631 1 755 . 1 1 65 65 LYS CD C 13 29.80 0.30 . 1 . . . . . . . . 5631 1 756 . 1 1 65 65 LYS CE C 13 41.90 0.30 . 1 . . . . . . . . 5631 1 757 . 1 1 65 65 LYS N N 15 125.07 0.40 . 1 . . . . . . . . 5631 1 758 . 1 1 66 66 ILE H H 1 8.63 0.03 . 1 . . . . . . . . 5631 1 759 . 1 1 66 66 ILE HA H 1 4.03 0.03 . 1 . . . . . . . . 5631 1 760 . 1 1 66 66 ILE HB H 1 1.56 0.03 . 1 . . . . . . . . 5631 1 761 . 1 1 66 66 ILE HG12 H 1 0.54 0.03 . 1 . . . . . . . . 5631 1 762 . 1 1 66 66 ILE HG13 H 1 0.54 0.03 . 1 . . . . . . . . 5631 1 763 . 1 1 66 66 ILE HG21 H 1 0.31 0.03 . 1 . . . . . . . . 5631 1 764 . 1 1 66 66 ILE HG22 H 1 0.31 0.03 . 1 . . . . . . . . 5631 1 765 . 1 1 66 66 ILE HG23 H 1 0.31 0.03 . 1 . . . . . . . . 5631 1 766 . 1 1 66 66 ILE HD11 H 1 0.73 0.03 . 1 . . . . . . . . 5631 1 767 . 1 1 66 66 ILE HD12 H 1 0.73 0.03 . 1 . . . . . . . . 5631 1 768 . 1 1 66 66 ILE HD13 H 1 0.73 0.03 . 1 . . . . . . . . 5631 1 769 . 1 1 66 66 ILE C C 13 174.96 0.10 . 1 . . . . . . . . 5631 1 770 . 1 1 66 66 ILE CA C 13 62.20 0.30 . 1 . . . . . . . . 5631 1 771 . 1 1 66 66 ILE CB C 13 38.70 0.30 . 1 . . . . . . . . 5631 1 772 . 1 1 66 66 ILE CG1 C 13 27.00 0.30 . 1 . . . . . . . . 5631 1 773 . 1 1 66 66 ILE CG2 C 13 18.40 0.30 . 1 . . . . . . . . 5631 1 774 . 1 1 66 66 ILE CD1 C 13 13.80 0.30 . 1 . . . . . . . . 5631 1 775 . 1 1 66 66 ILE N N 15 125.94 0.40 . 1 . . . . . . . . 5631 1 776 . 1 1 67 67 ILE H H 1 8.84 0.03 . 1 . . . . . . . . 5631 1 777 . 1 1 67 67 ILE HA H 1 4.46 0.03 . 1 . . . . . . . . 5631 1 778 . 1 1 67 67 ILE HB H 1 1.93 0.03 . 1 . . . . . . . . 5631 1 779 . 1 1 67 67 ILE HG12 H 1 1.15 0.03 . 2 . . . . . . . . 5631 1 780 . 1 1 67 67 ILE HG13 H 1 0.99 0.03 . 2 . . . . . . . . 5631 1 781 . 1 1 67 67 ILE HG21 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1 782 . 1 1 67 67 ILE HG22 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1 783 . 1 1 67 67 ILE HG23 H 1 0.80 0.03 . 1 . . . . . . . . 5631 1 784 . 1 1 67 67 ILE HD11 H 1 0.66 0.03 . 1 . . . . . . . . 5631 1 785 . 1 1 67 67 ILE HD12 H 1 0.66 0.03 . 1 . . . . . . . . 5631 1 786 . 1 1 67 67 ILE HD13 H 1 0.66 0.03 . 1 . . . . . . . . 5631 1 787 . 1 1 67 67 ILE C C 13 177.60 0.10 . 1 . . . . . . . . 5631 1 788 . 1 1 67 67 ILE CA C 13 61.20 0.30 . 1 . . . . . . . . 5631 1 789 . 1 1 67 67 ILE CB C 13 38.70 0.30 . 1 . . . . . . . . 5631 1 790 . 1 1 67 67 ILE CG1 C 13 26.60 0.30 . 1 . . . . . . . . 5631 1 791 . 1 1 67 67 ILE CG2 C 13 18.00 0.30 . 1 . . . . . . . . 5631 1 792 . 1 1 67 67 ILE CD1 C 13 48.30 0.30 . 1 . . . . . . . . 5631 1 793 . 1 1 67 67 ILE N N 15 120.95 0.40 . 1 . . . . . . . . 5631 1 794 . 1 1 68 68 GLN H H 1 7.87 0.03 . 1 . . . . . . . . 5631 1 795 . 1 1 68 68 GLN HA H 1 5.12 0.03 . 1 . . . . . . . . 5631 1 796 . 1 1 68 68 GLN HB2 H 1 1.98 0.03 . 2 . . . . . . . . 5631 1 797 . 1 1 68 68 GLN HB3 H 1 1.75 0.03 . 2 . . . . . . . . 5631 1 798 . 1 1 68 68 GLN HG2 H 1 2.00 0.03 . 1 . . . . . . . . 5631 1 799 . 1 1 68 68 GLN HG3 H 1 2.00 0.03 . 1 . . . . . . . . 5631 1 800 . 1 1 68 68 GLN HE21 H 1 6.83 0.03 . 1 . . . . . . . . 5631 1 801 . 1 1 68 68 GLN HE22 H 1 7.45 0.03 . 1 . . . . . . . . 5631 1 802 . 1 1 68 68 GLN C C 13 172.96 0.10 . 1 . . . . . . . . 5631 1 803 . 1 1 68 68 GLN CA C 13 55.30 0.30 . 1 . . . . . . . . 5631 1 804 . 1 1 68 68 GLN CB C 13 34.10 0.30 . 1 . . . . . . . . 5631 1 805 . 1 1 68 68 GLN CG C 13 34.70 0.30 . 1 . . . . . . . . 5631 1 806 . 1 1 68 68 GLN N N 15 124.51 0.40 . 1 . . . . . . . . 5631 1 807 . 1 1 68 68 GLN NE2 N 15 111.47 0.40 . 1 . . . . . . . . 5631 1 808 . 1 1 69 69 ALA H H 1 8.57 0.03 . 1 . . . . . . . . 5631 1 809 . 1 1 69 69 ALA HA H 1 5.11 0.03 . 1 . . . . . . . . 5631 1 810 . 1 1 69 69 ALA HB1 H 1 0.84 0.03 . 1 . . . . . . . . 5631 1 811 . 1 1 69 69 ALA HB2 H 1 0.84 0.03 . 1 . . . . . . . . 5631 1 812 . 1 1 69 69 ALA HB3 H 1 0.84 0.03 . 1 . . . . . . . . 5631 1 813 . 1 1 69 69 ALA C C 13 175.14 0.10 . 1 . . . . . . . . 5631 1 814 . 1 1 69 69 ALA CA C 13 51.10 0.30 . 1 . . . . . . . . 5631 1 815 . 1 1 69 69 ALA CB C 13 22.40 0.30 . 1 . . . . . . . . 5631 1 816 . 1 1 69 69 ALA N N 15 124.99 0.40 . 1 . . . . . . . . 5631 1 817 . 1 1 70 70 ASN H H 1 9.47 0.03 . 1 . . . . . . . . 5631 1 818 . 1 1 70 70 ASN HA H 1 4.35 0.03 . 1 . . . . . . . . 5631 1 819 . 1 1 70 70 ASN HB2 H 1 3.01 0.03 . 1 . . . . . . . . 5631 1 820 . 1 1 70 70 ASN HB3 H 1 1.89 0.03 . 1 . . . . . . . . 5631 1 821 . 1 1 70 70 ASN HD21 H 1 5.78 0.03 . 1 . . . . . . . . 5631 1 822 . 1 1 70 70 ASN HD22 H 1 6.77 0.03 . 1 . . . . . . . . 5631 1 823 . 1 1 70 70 ASN CA C 13 53.30 0.30 . 1 . . . . . . . . 5631 1 824 . 1 1 70 70 ASN CB C 13 36.40 0.30 . 1 . . . . . . . . 5631 1 825 . 1 1 70 70 ASN N N 15 124.35 0.40 . 1 . . . . . . . . 5631 1 826 . 1 1 70 70 ASN ND2 N 15 108.00 0.40 . 1 . . . . . . . . 5631 1 827 . 1 1 71 71 GLY H H 1 8.42 0.03 . 1 . . . . . . . . 5631 1 828 . 1 1 71 71 GLY HA2 H 1 4.03 0.03 . 2 . . . . . . . . 5631 1 829 . 1 1 71 71 GLY HA3 H 1 3.46 0.03 . 2 . . . . . . . . 5631 1 830 . 1 1 71 71 GLY C C 13 174.02 0.10 . 1 . . . . . . . . 5631 1 831 . 1 1 71 71 GLY CA C 13 45.30 0.30 . 1 . . . . . . . . 5631 1 832 . 1 1 71 71 GLY N N 15 102.20 0.40 . 1 . . . . . . . . 5631 1 833 . 1 1 72 72 TYR H H 1 8.48 0.03 . 1 . . . . . . . . 5631 1 834 . 1 1 72 72 TYR HA H 1 4.50 0.03 . 1 . . . . . . . . 5631 1 835 . 1 1 72 72 TYR HB2 H 1 3.54 0.03 . 2 . . . . . . . . 5631 1 836 . 1 1 72 72 TYR HB3 H 1 3.08 0.03 . 2 . . . . . . . . 5631 1 837 . 1 1 72 72 TYR HD1 H 1 7.43 0.03 . 1 . . . . . . . . 5631 1 838 . 1 1 72 72 TYR HD2 H 1 7.43 0.03 . 1 . . . . . . . . 5631 1 839 . 1 1 72 72 TYR HE1 H 1 6.98 0.03 . 1 . . . . . . . . 5631 1 840 . 1 1 72 72 TYR HE2 H 1 6.98 0.03 . 1 . . . . . . . . 5631 1 841 . 1 1 72 72 TYR C C 13 175.98 0.10 . 1 . . . . . . . . 5631 1 842 . 1 1 72 72 TYR CA C 13 57.80 0.30 . 1 . . . . . . . . 5631 1 843 . 1 1 72 72 TYR CB C 13 38.80 0.30 . 1 . . . . . . . . 5631 1 844 . 1 1 72 72 TYR CD1 C 13 133.98 0.30 . 1 . . . . . . . . 5631 1 845 . 1 1 72 72 TYR CD2 C 13 133.98 0.30 . 1 . . . . . . . . 5631 1 846 . 1 1 72 72 TYR CE1 C 13 154.10 0.30 . 1 . . . . . . . . 5631 1 847 . 1 1 72 72 TYR CE2 C 13 154.10 0.30 . 1 . . . . . . . . 5631 1 848 . 1 1 72 72 TYR N N 15 121.20 0.40 . 1 . . . . . . . . 5631 1 849 . 1 1 73 73 SER H H 1 8.94 0.03 . 1 . . . . . . . . 5631 1 850 . 1 1 73 73 SER HA H 1 4.53 0.03 . 1 . . . . . . . . 5631 1 851 . 1 1 73 73 SER HB2 H 1 4.11 0.03 . 2 . . . . . . . . 5631 1 852 . 1 1 73 73 SER HB3 H 1 3.93 0.03 . 2 . . . . . . . . 5631 1 853 . 1 1 73 73 SER C C 13 176.22 0.10 . 1 . . . . . . . . 5631 1 854 . 1 1 73 73 SER CA C 13 58.80 0.30 . 1 . . . . . . . . 5631 1 855 . 1 1 73 73 SER CB C 13 63.40 0.30 . 1 . . . . . . . . 5631 1 856 . 1 1 73 73 SER N N 15 117.62 0.40 . 1 . . . . . . . . 5631 1 857 . 1 1 74 74 PHE H H 1 8.52 0.03 . 1 . . . . . . . . 5631 1 858 . 1 1 74 74 PHE HA H 1 4.78 0.03 . 1 . . . . . . . . 5631 1 859 . 1 1 74 74 PHE HB2 H 1 3.39 0.03 . 2 . . . . . . . . 5631 1 860 . 1 1 74 74 PHE HB3 H 1 2.49 0.03 . 2 . . . . . . . . 5631 1 861 . 1 1 74 74 PHE HD1 H 1 7.14 0.03 . 1 . . . . . . . . 5631 1 862 . 1 1 74 74 PHE HD2 H 1 7.14 0.03 . 1 . . . . . . . . 5631 1 863 . 1 1 74 74 PHE HE1 H 1 7.13 0.03 . 1 . . . . . . . . 5631 1 864 . 1 1 74 74 PHE HE2 H 1 7.13 0.03 . 1 . . . . . . . . 5631 1 865 . 1 1 74 74 PHE HZ H 1 7.13 0.03 . 1 . . . . . . . . 5631 1 866 . 1 1 74 74 PHE C C 13 174.99 0.10 . 1 . . . . . . . . 5631 1 867 . 1 1 74 74 PHE CA C 13 55.60 0.30 . 1 . . . . . . . . 5631 1 868 . 1 1 74 74 PHE CB C 13 38.20 0.30 . 1 . . . . . . . . 5631 1 869 . 1 1 74 74 PHE CD1 C 13 130.38 0.30 . 1 . . . . . . . . 5631 1 870 . 1 1 74 74 PHE CD2 C 13 130.38 0.30 . 1 . . . . . . . . 5631 1 871 . 1 1 74 74 PHE CE1 C 13 130.20 0.30 . 1 . . . . . . . . 5631 1 872 . 1 1 74 74 PHE CE2 C 13 130.20 0.30 . 1 . . . . . . . . 5631 1 873 . 1 1 74 74 PHE CZ C 13 130.20 0.30 . 1 . . . . . . . . 5631 1 874 . 1 1 74 74 PHE N N 15 129.19 0.40 . 1 . . . . . . . . 5631 1 875 . 1 1 75 75 ILE H H 1 8.15 0.03 . 1 . . . . . . . . 5631 1 876 . 1 1 75 75 ILE HA H 1 4.14 0.03 . 1 . . . . . . . . 5631 1 877 . 1 1 75 75 ILE HB H 1 1.80 0.03 . 1 . . . . . . . . 5631 1 878 . 1 1 75 75 ILE HG12 H 1 1.63 0.03 . 2 . . . . . . . . 5631 1 879 . 1 1 75 75 ILE HG13 H 1 1.39 0.03 . 2 . . . . . . . . 5631 1 880 . 1 1 75 75 ILE HG21 H 1 0.92 0.03 . 1 . . . . . . . . 5631 1 881 . 1 1 75 75 ILE HG22 H 1 0.92 0.03 . 1 . . . . . . . . 5631 1 882 . 1 1 75 75 ILE HG23 H 1 0.92 0.03 . 1 . . . . . . . . 5631 1 883 . 1 1 75 75 ILE HD11 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1 884 . 1 1 75 75 ILE HD12 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1 885 . 1 1 75 75 ILE HD13 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1 886 . 1 1 75 75 ILE C C 13 175.99 0.10 . 1 . . . . . . . . 5631 1 887 . 1 1 75 75 ILE CA C 13 61.10 0.30 . 1 . . . . . . . . 5631 1 888 . 1 1 75 75 ILE CB C 13 36.90 0.30 . 1 . . . . . . . . 5631 1 889 . 1 1 75 75 ILE CG1 C 13 27.40 0.30 . 1 . . . . . . . . 5631 1 890 . 1 1 75 75 ILE CG2 C 13 17.20 0.30 . 1 . . . . . . . . 5631 1 891 . 1 1 75 75 ILE CD1 C 13 47.30 0.30 . 1 . . . . . . . . 5631 1 892 . 1 1 75 75 ILE N N 15 123.16 0.40 . 1 . . . . . . . . 5631 1 893 . 1 1 76 76 ASN H H 1 9.09 0.03 . 1 . . . . . . . . 5631 1 894 . 1 1 76 76 ASN HA H 1 4.28 0.03 . 1 . . . . . . . . 5631 1 895 . 1 1 76 76 ASN HB2 H 1 2.80 0.03 . 1 . . . . . . . . 5631 1 896 . 1 1 76 76 ASN HB3 H 1 3.07 0.03 . 1 . . . . . . . . 5631 1 897 . 1 1 76 76 ASN HD21 H 1 6.81 0.03 . 1 . . . . . . . . 5631 1 898 . 1 1 76 76 ASN HD22 H 1 7.62 0.03 . 1 . . . . . . . . 5631 1 899 . 1 1 76 76 ASN C C 13 173.47 0.10 . 1 . . . . . . . . 5631 1 900 . 1 1 76 76 ASN CA C 13 54.00 0.30 . 1 . . . . . . . . 5631 1 901 . 1 1 76 76 ASN CB C 13 37.10 0.30 . 1 . . . . . . . . 5631 1 902 . 1 1 76 76 ASN N N 15 123.55 0.40 . 1 . . . . . . . . 5631 1 903 . 1 1 76 76 ASN ND2 N 15 112.43 0.40 . 1 . . . . . . . . 5631 1 904 . 1 1 77 77 ILE H H 1 7.62 0.03 . 1 . . . . . . . . 5631 1 905 . 1 1 77 77 ILE HA H 1 4.59 0.03 . 1 . . . . . . . . 5631 1 906 . 1 1 77 77 ILE HB H 1 1.44 0.03 . 1 . . . . . . . . 5631 1 907 . 1 1 77 77 ILE HG12 H 1 1.34 0.03 . 2 . . . . . . . . 5631 1 908 . 1 1 77 77 ILE HG13 H 1 1.05 0.03 . 2 . . . . . . . . 5631 1 909 . 1 1 77 77 ILE HG21 H 1 0.60 0.03 . 1 . . . . . . . . 5631 1 910 . 1 1 77 77 ILE HG22 H 1 0.60 0.03 . 1 . . . . . . . . 5631 1 911 . 1 1 77 77 ILE HG23 H 1 0.60 0.03 . 1 . . . . . . . . 5631 1 912 . 1 1 77 77 ILE HD11 H 1 0.16 0.03 . 1 . . . . . . . . 5631 1 913 . 1 1 77 77 ILE HD12 H 1 0.16 0.03 . 1 . . . . . . . . 5631 1 914 . 1 1 77 77 ILE HD13 H 1 0.16 0.03 . 1 . . . . . . . . 5631 1 915 . 1 1 77 77 ILE C C 13 175.31 0.10 . 1 . . . . . . . . 5631 1 916 . 1 1 77 77 ILE CA C 13 60.00 0.30 . 1 . . . . . . . . 5631 1 917 . 1 1 77 77 ILE CB C 13 42.00 0.30 . 1 . . . . . . . . 5631 1 918 . 1 1 77 77 ILE CG1 C 13 28.00 0.30 . 1 . . . . . . . . 5631 1 919 . 1 1 77 77 ILE CG2 C 13 16.80 0.30 . 1 . . . . . . . . 5631 1 920 . 1 1 77 77 ILE CD1 C 13 13.90 0.30 . 1 . . . . . . . . 5631 1 921 . 1 1 77 77 ILE N N 15 115.62 0.40 . 1 . . . . . . . . 5631 1 922 . 1 1 78 78 GLU H H 1 8.54 0.03 . 1 . . . . . . . . 5631 1 923 . 1 1 78 78 GLU HA H 1 4.50 0.03 . 1 . . . . . . . . 5631 1 924 . 1 1 78 78 GLU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 5631 1 925 . 1 1 78 78 GLU HB3 H 1 2.32 0.03 . 1 . . . . . . . . 5631 1 926 . 1 1 78 78 GLU HG2 H 1 2.42 0.03 . 1 . . . . . . . . 5631 1 927 . 1 1 78 78 GLU HG3 H 1 2.42 0.03 . 1 . . . . . . . . 5631 1 928 . 1 1 78 78 GLU C C 13 177.09 0.10 . 1 . . . . . . . . 5631 1 929 . 1 1 78 78 GLU CA C 13 56.10 0.30 . 1 . . . . . . . . 5631 1 930 . 1 1 78 78 GLU CB C 13 31.40 0.30 . 1 . . . . . . . . 5631 1 931 . 1 1 78 78 GLU CG C 13 36.50 0.30 . 1 . . . . . . . . 5631 1 932 . 1 1 78 78 GLU N N 15 125.20 0.40 . 1 . . . . . . . . 5631 1 933 . 1 1 79 79 HIS H H 1 9.91 0.03 . 1 . . . . . . . . 5631 1 934 . 1 1 79 79 HIS HA H 1 3.67 0.03 . 1 . . . . . . . . 5631 1 935 . 1 1 79 79 HIS HB2 H 1 3.76 0.03 . 2 . . . . . . . . 5631 1 936 . 1 1 79 79 HIS HB3 H 1 3.07 0.03 . 2 . . . . . . . . 5631 1 937 . 1 1 79 79 HIS HD2 H 1 6.70 0.03 . 1 . . . . . . . . 5631 1 938 . 1 1 79 79 HIS HE1 H 1 7.77 0.03 . 1 . . . . . . . . 5631 1 939 . 1 1 79 79 HIS C C 13 177.03 0.10 . 1 . . . . . . . . 5631 1 940 . 1 1 79 79 HIS CA C 13 61.20 0.30 . 1 . . . . . . . . 5631 1 941 . 1 1 79 79 HIS CB C 13 29.10 0.30 . 1 . . . . . . . . 5631 1 942 . 1 1 79 79 HIS CD2 C 13 126.45 0.30 . 1 . . . . . . . . 5631 1 943 . 1 1 79 79 HIS CE1 C 13 136.70 0.30 . 1 . . . . . . . . 5631 1 944 . 1 1 79 79 HIS N N 15 123.99 0.40 . 1 . . . . . . . . 5631 1 945 . 1 1 80 80 GLY H H 1 8.98 0.03 . 1 . . . . . . . . 5631 1 946 . 1 1 80 80 GLY HA2 H 1 3.94 0.03 . 2 . . . . . . . . 5631 1 947 . 1 1 80 80 GLY HA3 H 1 3.88 0.03 . 2 . . . . . . . . 5631 1 948 . 1 1 80 80 GLY C C 13 176.89 0.10 . 1 . . . . . . . . 5631 1 949 . 1 1 80 80 GLY CA C 13 45.20 0.30 . 1 . . . . . . . . 5631 1 950 . 1 1 80 80 GLY N N 15 102.70 0.40 . 1 . . . . . . . . 5631 1 951 . 1 1 81 81 GLN H H 1 6.97 0.03 . 1 . . . . . . . . 5631 1 952 . 1 1 81 81 GLN HA H 1 4.12 0.03 . 1 . . . . . . . . 5631 1 953 . 1 1 81 81 GLN HB2 H 1 2.15 0.03 . 2 . . . . . . . . 5631 1 954 . 1 1 81 81 GLN HB3 H 1 1.90 0.03 . 2 . . . . . . . . 5631 1 955 . 1 1 81 81 GLN HG2 H 1 2.32 0.03 . 1 . . . . . . . . 5631 1 956 . 1 1 81 81 GLN HG3 H 1 2.32 0.03 . 1 . . . . . . . . 5631 1 957 . 1 1 81 81 GLN HE21 H 1 6.63 0.03 . 1 . . . . . . . . 5631 1 958 . 1 1 81 81 GLN HE22 H 1 7.01 0.03 . 1 . . . . . . . . 5631 1 959 . 1 1 81 81 GLN C C 13 177.08 0.10 . 1 . . . . . . . . 5631 1 960 . 1 1 81 81 GLN CA C 13 57.70 0.30 . 1 . . . . . . . . 5631 1 961 . 1 1 81 81 GLN CB C 13 28.10 0.30 . 1 . . . . . . . . 5631 1 962 . 1 1 81 81 GLN CG C 13 33.10 0.30 . 1 . . . . . . . . 5631 1 963 . 1 1 81 81 GLN N N 15 121.62 0.40 . 1 . . . . . . . . 5631 1 964 . 1 1 81 81 GLN NE2 N 15 110.85 0.40 . 1 . . . . . . . . 5631 1 965 . 1 1 82 82 ALA H H 1 7.63 0.03 . 1 . . . . . . . . 5631 1 966 . 1 1 82 82 ALA HA H 1 3.40 0.03 . 1 . . . . . . . . 5631 1 967 . 1 1 82 82 ALA HB1 H 1 0.98 0.03 . 1 . . . . . . . . 5631 1 968 . 1 1 82 82 ALA HB2 H 1 0.98 0.03 . 1 . . . . . . . . 5631 1 969 . 1 1 82 82 ALA HB3 H 1 0.98 0.03 . 1 . . . . . . . . 5631 1 970 . 1 1 82 82 ALA C C 13 178.62 0.10 . 1 . . . . . . . . 5631 1 971 . 1 1 82 82 ALA CA C 13 54.40 0.30 . 1 . . . . . . . . 5631 1 972 . 1 1 82 82 ALA CB C 13 18.10 0.30 . 1 . . . . . . . . 5631 1 973 . 1 1 82 82 ALA N N 15 122.27 0.40 . 1 . . . . . . . . 5631 1 974 . 1 1 83 83 VAL H H 1 7.98 0.03 . 1 . . . . . . . . 5631 1 975 . 1 1 83 83 VAL HA H 1 3.11 0.03 . 1 . . . . . . . . 5631 1 976 . 1 1 83 83 VAL HB H 1 1.98 0.03 . 1 . . . . . . . . 5631 1 977 . 1 1 83 83 VAL HG11 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 978 . 1 1 83 83 VAL HG12 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 979 . 1 1 83 83 VAL HG13 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 980 . 1 1 83 83 VAL HG21 H 1 0.76 0.03 . 1 . . . . . . . . 5631 1 981 . 1 1 83 83 VAL HG22 H 1 0.76 0.03 . 1 . . . . . . . . 5631 1 982 . 1 1 83 83 VAL HG23 H 1 0.76 0.03 . 1 . . . . . . . . 5631 1 983 . 1 1 83 83 VAL C C 13 177.01 0.10 . 1 . . . . . . . . 5631 1 984 . 1 1 83 83 VAL CA C 13 66.80 0.30 . 1 . . . . . . . . 5631 1 985 . 1 1 83 83 VAL CB C 13 32.30 0.30 . 1 . . . . . . . . 5631 1 986 . 1 1 83 83 VAL CG1 C 13 57.70 0.30 . 1 . . . . . . . . 5631 1 987 . 1 1 83 83 VAL CG2 C 13 60.40 0.30 . 1 . . . . . . . . 5631 1 988 . 1 1 83 83 VAL N N 15 115.62 0.40 . 1 . . . . . . . . 5631 1 989 . 1 1 84 84 SER H H 1 7.86 0.03 . 1 . . . . . . . . 5631 1 990 . 1 1 84 84 SER HA H 1 3.94 0.03 . 1 . . . . . . . . 5631 1 991 . 1 1 84 84 SER HB2 H 1 3.83 0.03 . 2 . . . . . . . . 5631 1 992 . 1 1 84 84 SER HB3 H 1 3.77 0.03 . 2 . . . . . . . . 5631 1 993 . 1 1 84 84 SER C C 13 177.56 0.10 . 1 . . . . . . . . 5631 1 994 . 1 1 84 84 SER CA C 13 61.60 0.30 . 1 . . . . . . . . 5631 1 995 . 1 1 84 84 SER CB C 13 62.40 0.30 . 1 . . . . . . . . 5631 1 996 . 1 1 84 84 SER N N 15 112.47 0.40 . 1 . . . . . . . . 5631 1 997 . 1 1 85 85 LEU H H 1 7.92 0.03 . 1 . . . . . . . . 5631 1 998 . 1 1 85 85 LEU HA H 1 3.39 0.03 . 1 . . . . . . . . 5631 1 999 . 1 1 85 85 LEU HB2 H 1 1.65 0.03 . 1 . . . . . . . . 5631 1 1000 . 1 1 85 85 LEU HB3 H 1 0.86 0.03 . 1 . . . . . . . . 5631 1 1001 . 1 1 85 85 LEU HG H 1 1.40 0.03 . 1 . . . . . . . . 5631 1 1002 . 1 1 85 85 LEU HD11 H 1 0.45 0.03 . 1 . . . . . . . . 5631 1 1003 . 1 1 85 85 LEU HD12 H 1 0.45 0.03 . 1 . . . . . . . . 5631 1 1004 . 1 1 85 85 LEU HD13 H 1 0.45 0.03 . 1 . . . . . . . . 5631 1 1005 . 1 1 85 85 LEU HD21 H 1 0.20 0.03 . 1 . . . . . . . . 5631 1 1006 . 1 1 85 85 LEU HD22 H 1 0.20 0.03 . 1 . . . . . . . . 5631 1 1007 . 1 1 85 85 LEU HD23 H 1 0.20 0.03 . 1 . . . . . . . . 5631 1 1008 . 1 1 85 85 LEU C C 13 177.14 0.10 . 1 . . . . . . . . 5631 1 1009 . 1 1 85 85 LEU CA C 13 57.80 0.30 . 1 . . . . . . . . 5631 1 1010 . 1 1 85 85 LEU CB C 13 42.00 0.30 . 1 . . . . . . . . 5631 1 1011 . 1 1 85 85 LEU CG C 13 26.80 0.30 . 1 . . . . . . . . 5631 1 1012 . 1 1 85 85 LEU CD1 C 13 62.00 0.30 . 1 . . . . . . . . 5631 1 1013 . 1 1 85 85 LEU CD2 C 13 57.80 0.30 . 1 . . . . . . . . 5631 1 1014 . 1 1 85 85 LEU N N 15 121.57 0.40 . 1 . . . . . . . . 5631 1 1015 . 1 1 86 86 LEU H H 1 7.65 0.03 . 1 . . . . . . . . 5631 1 1016 . 1 1 86 86 LEU HA H 1 3.81 0.03 . 1 . . . . . . . . 5631 1 1017 . 1 1 86 86 LEU HB2 H 1 1.90 0.03 . 1 . . . . . . . . 5631 1 1018 . 1 1 86 86 LEU HB3 H 1 1.17 0.03 . 1 . . . . . . . . 5631 1 1019 . 1 1 86 86 LEU HG H 1 2.13 0.03 . 1 . . . . . . . . 5631 1 1020 . 1 1 86 86 LEU HD11 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 1021 . 1 1 86 86 LEU HD12 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 1022 . 1 1 86 86 LEU HD13 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 1023 . 1 1 86 86 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1 1024 . 1 1 86 86 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1 1025 . 1 1 86 86 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 5631 1 1026 . 1 1 86 86 LEU C C 13 179.56 0.10 . 1 . . . . . . . . 5631 1 1027 . 1 1 86 86 LEU CA C 13 58.00 0.30 . 1 . . . . . . . . 5631 1 1028 . 1 1 86 86 LEU CB C 13 40.60 0.30 . 1 . . . . . . . . 5631 1 1029 . 1 1 86 86 LEU CG C 13 27.40 0.30 . 1 . . . . . . . . 5631 1 1030 . 1 1 86 86 LEU CD1 C 13 62.60 0.30 . 1 . . . . . . . . 5631 1 1031 . 1 1 86 86 LEU CD2 C 13 58.40 0.30 . 1 . . . . . . . . 5631 1 1032 . 1 1 86 86 LEU N N 15 114.85 0.40 . 1 . . . . . . . . 5631 1 1033 . 1 1 87 87 LYS H H 1 8.42 0.03 . 1 . . . . . . . . 5631 1 1034 . 1 1 87 87 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . 5631 1 1035 . 1 1 87 87 LYS HB2 H 1 1.87 0.03 . 1 . . . . . . . . 5631 1 1036 . 1 1 87 87 LYS HB3 H 1 1.77 0.03 . 1 . . . . . . . . 5631 1 1037 . 1 1 87 87 LYS HG2 H 1 1.64 0.03 . 2 . . . . . . . . 5631 1 1038 . 1 1 87 87 LYS HG3 H 1 1.48 0.03 . 2 . . . . . . . . 5631 1 1039 . 1 1 87 87 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1 1040 . 1 1 87 87 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 5631 1 1041 . 1 1 87 87 LYS HE2 H 1 2.92 0.03 . 1 . . . . . . . . 5631 1 1042 . 1 1 87 87 LYS HE3 H 1 2.92 0.03 . 1 . . . . . . . . 5631 1 1043 . 1 1 87 87 LYS C C 13 178.08 0.10 . 1 . . . . . . . . 5631 1 1044 . 1 1 87 87 LYS CA C 13 58.90 0.30 . 1 . . . . . . . . 5631 1 1045 . 1 1 87 87 LYS CB C 13 32.60 0.30 . 1 . . . . . . . . 5631 1 1046 . 1 1 87 87 LYS CG C 13 25.90 0.30 . 1 . . . . . . . . 5631 1 1047 . 1 1 87 87 LYS CD C 13 29.10 0.30 . 1 . . . . . . . . 5631 1 1048 . 1 1 87 87 LYS CE C 13 41.60 0.30 . 1 . . . . . . . . 5631 1 1049 . 1 1 87 87 LYS N N 15 115.79 0.40 . 1 . . . . . . . . 5631 1 1050 . 1 1 88 88 THR H H 1 7.50 0.03 . 1 . . . . . . . . 5631 1 1051 . 1 1 88 88 THR HA H 1 4.06 0.03 . 1 . . . . . . . . 5631 1 1052 . 1 1 88 88 THR HB H 1 4.15 0.03 . 1 . . . . . . . . 5631 1 1053 . 1 1 88 88 THR HG21 H 1 1.20 0.03 . 1 . . . . . . . . 5631 1 1054 . 1 1 88 88 THR HG22 H 1 1.20 0.03 . 1 . . . . . . . . 5631 1 1055 . 1 1 88 88 THR HG23 H 1 1.20 0.03 . 1 . . . . . . . . 5631 1 1056 . 1 1 88 88 THR C C 13 176.23 0.10 . 1 . . . . . . . . 5631 1 1057 . 1 1 88 88 THR CA C 13 64.00 0.30 . 1 . . . . . . . . 5631 1 1058 . 1 1 88 88 THR CB C 13 69.30 0.30 . 1 . . . . . . . . 5631 1 1059 . 1 1 88 88 THR CG2 C 13 21.20 0.30 . 1 . . . . . . . . 5631 1 1060 . 1 1 88 88 THR N N 15 112.15 0.40 . 1 . . . . . . . . 5631 1 1061 . 1 1 89 89 PHE H H 1 7.23 0.03 . 1 . . . . . . . . 5631 1 1062 . 1 1 89 89 PHE HA H 1 4.83 0.03 . 1 . . . . . . . . 5631 1 1063 . 1 1 89 89 PHE HB2 H 1 3.24 0.03 . 2 . . . . . . . . 5631 1 1064 . 1 1 89 89 PHE HB3 H 1 2.75 0.03 . 2 . . . . . . . . 5631 1 1065 . 1 1 89 89 PHE HD1 H 1 7.26 0.03 . 1 . . . . . . . . 5631 1 1066 . 1 1 89 89 PHE HD2 H 1 7.26 0.03 . 1 . . . . . . . . 5631 1 1067 . 1 1 89 89 PHE HE1 H 1 7.16 0.03 . 1 . . . . . . . . 5631 1 1068 . 1 1 89 89 PHE HE2 H 1 7.16 0.03 . 1 . . . . . . . . 5631 1 1069 . 1 1 89 89 PHE HZ H 1 7.13 0.03 . 1 . . . . . . . . 5631 1 1070 . 1 1 89 89 PHE C C 13 175.83 0.10 . 1 . . . . . . . . 5631 1 1071 . 1 1 89 89 PHE CA C 13 55.70 0.30 . 1 . . . . . . . . 5631 1 1072 . 1 1 89 89 PHE CB C 13 39.10 0.30 . 1 . . . . . . . . 5631 1 1073 . 1 1 89 89 PHE CD1 C 13 131.38 0.30 . 1 . . . . . . . . 5631 1 1074 . 1 1 89 89 PHE CD2 C 13 131.38 0.30 . 1 . . . . . . . . 5631 1 1075 . 1 1 89 89 PHE CE1 C 13 130.60 0.30 . 1 . . . . . . . . 5631 1 1076 . 1 1 89 89 PHE CE2 C 13 130.60 0.30 . 1 . . . . . . . . 5631 1 1077 . 1 1 89 89 PHE CZ C 13 130.60 0.30 . 1 . . . . . . . . 5631 1 1078 . 1 1 89 89 PHE N N 15 121.17 0.40 . 1 . . . . . . . . 5631 1 1079 . 1 1 90 90 GLN H H 1 8.80 0.03 . 1 . . . . . . . . 5631 1 1080 . 1 1 90 90 GLN HA H 1 4.49 0.03 . 1 . . . . . . . . 5631 1 1081 . 1 1 90 90 GLN HB2 H 1 2.17 0.03 . 2 . . . . . . . . 5631 1 1082 . 1 1 90 90 GLN HB3 H 1 2.00 0.03 . 2 . . . . . . . . 5631 1 1083 . 1 1 90 90 GLN HG2 H 1 2.48 0.03 . 1 . . . . . . . . 5631 1 1084 . 1 1 90 90 GLN HG3 H 1 2.48 0.03 . 1 . . . . . . . . 5631 1 1085 . 1 1 90 90 GLN HE21 H 1 6.91 0.03 . 1 . . . . . . . . 5631 1 1086 . 1 1 90 90 GLN HE22 H 1 7.47 0.03 . 1 . . . . . . . . 5631 1 1087 . 1 1 90 90 GLN C C 13 175.84 0.10 . 1 . . . . . . . . 5631 1 1088 . 1 1 90 90 GLN CA C 13 55.00 0.30 . 1 . . . . . . . . 5631 1 1089 . 1 1 90 90 GLN CB C 13 31.00 0.30 . 1 . . . . . . . . 5631 1 1090 . 1 1 90 90 GLN CG C 13 33.70 0.30 . 1 . . . . . . . . 5631 1 1091 . 1 1 90 90 GLN N N 15 119.97 0.40 . 1 . . . . . . . . 5631 1 1092 . 1 1 90 90 GLN NE2 N 15 112.92 0.40 . 1 . . . . . . . . 5631 1 1093 . 1 1 91 91 ASN H H 1 8.97 0.03 . 1 . . . . . . . . 5631 1 1094 . 1 1 91 91 ASN HA H 1 4.34 0.03 . 1 . . . . . . . . 5631 1 1095 . 1 1 91 91 ASN HB2 H 1 3.16 0.03 . 2 . . . . . . . . 5631 1 1096 . 1 1 91 91 ASN HB3 H 1 2.98 0.03 . 2 . . . . . . . . 5631 1 1097 . 1 1 91 91 ASN HD21 H 1 7.00 0.03 . 1 . . . . . . . . 5631 1 1098 . 1 1 91 91 ASN HD22 H 1 7.76 0.03 . 1 . . . . . . . . 5631 1 1099 . 1 1 91 91 ASN C C 13 173.88 0.10 . 1 . . . . . . . . 5631 1 1100 . 1 1 91 91 ASN CA C 13 56.90 0.30 . 1 . . . . . . . . 5631 1 1101 . 1 1 91 91 ASN CB C 13 38.10 0.30 . 1 . . . . . . . . 5631 1 1102 . 1 1 91 91 ASN N N 15 115.53 0.40 . 1 . . . . . . . . 5631 1 1103 . 1 1 91 91 ASN ND2 N 15 113.65 0.40 . 1 . . . . . . . . 5631 1 1104 . 1 1 92 92 THR H H 1 8.31 0.03 . 1 . . . . . . . . 5631 1 1105 . 1 1 92 92 THR HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 1 1106 . 1 1 92 92 THR HB H 1 3.85 0.03 . 1 . . . . . . . . 5631 1 1107 . 1 1 92 92 THR HG21 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1 1108 . 1 1 92 92 THR HG22 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1 1109 . 1 1 92 92 THR HG23 H 1 1.01 0.03 . 1 . . . . . . . . 5631 1 1110 . 1 1 92 92 THR C C 13 173.86 0.10 . 1 . . . . . . . . 5631 1 1111 . 1 1 92 92 THR CA C 13 62.40 0.30 . 1 . . . . . . . . 5631 1 1112 . 1 1 92 92 THR CB C 13 69.70 0.30 . 1 . . . . . . . . 5631 1 1113 . 1 1 92 92 THR CG2 C 13 22.00 0.30 . 1 . . . . . . . . 5631 1 1114 . 1 1 92 92 THR N N 15 117.63 0.40 . 1 . . . . . . . . 5631 1 1115 . 1 1 93 93 VAL H H 1 9.10 0.03 . 1 . . . . . . . . 5631 1 1116 . 1 1 93 93 VAL HA H 1 4.27 0.03 . 1 . . . . . . . . 5631 1 1117 . 1 1 93 93 VAL HB H 1 1.97 0.03 . 1 . . . . . . . . 5631 1 1118 . 1 1 93 93 VAL HG11 H 1 0.72 0.03 . 1 . . . . . . . . 5631 1 1119 . 1 1 93 93 VAL HG12 H 1 0.72 0.03 . 1 . . . . . . . . 5631 1 1120 . 1 1 93 93 VAL HG13 H 1 0.72 0.03 . 1 . . . . . . . . 5631 1 1121 . 1 1 93 93 VAL HG21 H 1 0.97 0.03 . 1 . . . . . . . . 5631 1 1122 . 1 1 93 93 VAL HG22 H 1 0.97 0.03 . 1 . . . . . . . . 5631 1 1123 . 1 1 93 93 VAL HG23 H 1 0.97 0.03 . 1 . . . . . . . . 5631 1 1124 . 1 1 93 93 VAL C C 13 173.57 0.10 . 1 . . . . . . . . 5631 1 1125 . 1 1 93 93 VAL CA C 13 60.80 0.30 . 1 . . . . . . . . 5631 1 1126 . 1 1 93 93 VAL CB C 13 34.10 0.30 . 1 . . . . . . . . 5631 1 1127 . 1 1 93 93 VAL CG1 C 13 57.40 0.30 . 1 . . . . . . . . 5631 1 1128 . 1 1 93 93 VAL CG2 C 13 59.40 0.30 . 1 . . . . . . . . 5631 1 1129 . 1 1 93 93 VAL N N 15 127.71 0.40 . 1 . . . . . . . . 5631 1 1130 . 1 1 94 94 GLU H H 1 8.70 0.03 . 1 . . . . . . . . 5631 1 1131 . 1 1 94 94 GLU HA H 1 4.89 0.03 . 1 . . . . . . . . 5631 1 1132 . 1 1 94 94 GLU HB3 H 1 1.81 0.03 . 2 . . . . . . . . 5631 1 1133 . 1 1 94 94 GLU HG2 H 1 2.00 0.03 . 2 . . . . . . . . 5631 1 1134 . 1 1 94 94 GLU HG3 H 1 1.83 0.03 . 2 . . . . . . . . 5631 1 1135 . 1 1 94 94 GLU C C 13 175.42 0.10 . 1 . . . . . . . . 5631 1 1136 . 1 1 94 94 GLU CA C 13 54.90 0.30 . 1 . . . . . . . . 5631 1 1137 . 1 1 94 94 GLU CB C 13 30.80 0.30 . 1 . . . . . . . . 5631 1 1138 . 1 1 94 94 GLU CG C 13 37.10 0.30 . 1 . . . . . . . . 5631 1 1139 . 1 1 94 94 GLU N N 15 127.93 0.40 . 1 . . . . . . . . 5631 1 1140 . 1 1 95 95 LEU H H 1 9.42 0.03 . 1 . . . . . . . . 5631 1 1141 . 1 1 95 95 LEU HA H 1 5.11 0.03 . 1 . . . . . . . . 5631 1 1142 . 1 1 95 95 LEU HB2 H 1 1.62 0.03 . 1 . . . . . . . . 5631 1 1143 . 1 1 95 95 LEU HB3 H 1 1.15 0.03 . 1 . . . . . . . . 5631 1 1144 . 1 1 95 95 LEU HG H 1 1.52 0.03 . 1 . . . . . . . . 5631 1 1145 . 1 1 95 95 LEU HD11 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1 1146 . 1 1 95 95 LEU HD12 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1 1147 . 1 1 95 95 LEU HD13 H 1 0.69 0.03 . 1 . . . . . . . . 5631 1 1148 . 1 1 95 95 LEU HD21 H 1 0.70 0.03 . 1 . . . . . . . . 5631 1 1149 . 1 1 95 95 LEU HD22 H 1 0.70 0.03 . 1 . . . . . . . . 5631 1 1150 . 1 1 95 95 LEU HD23 H 1 0.70 0.03 . 1 . . . . . . . . 5631 1 1151 . 1 1 95 95 LEU C C 13 175.66 0.10 . 1 . . . . . . . . 5631 1 1152 . 1 1 95 95 LEU CA C 13 53.40 0.30 . 1 . . . . . . . . 5631 1 1153 . 1 1 95 95 LEU CB C 13 44.80 0.30 . 1 . . . . . . . . 5631 1 1154 . 1 1 95 95 LEU CG C 13 26.90 0.30 . 1 . . . . . . . . 5631 1 1155 . 1 1 95 95 LEU CD1 C 13 63.30 0.30 . 1 . . . . . . . . 5631 1 1156 . 1 1 95 95 LEU CD2 C 13 61.20 0.30 . 1 . . . . . . . . 5631 1 1157 . 1 1 95 95 LEU N N 15 128.29 0.40 . 1 . . . . . . . . 5631 1 1158 . 1 1 96 96 ILE H H 1 8.35 0.03 . 1 . . . . . . . . 5631 1 1159 . 1 1 96 96 ILE HA H 1 4.79 0.03 . 1 . . . . . . . . 5631 1 1160 . 1 1 96 96 ILE HB H 1 1.59 0.03 . 1 . . . . . . . . 5631 1 1161 . 1 1 96 96 ILE HG12 H 1 1.39 0.03 . 2 . . . . . . . . 5631 1 1162 . 1 1 96 96 ILE HG13 H 1 0.97 0.03 . 2 . . . . . . . . 5631 1 1163 . 1 1 96 96 ILE HG21 H 1 0.68 0.03 . 1 . . . . . . . . 5631 1 1164 . 1 1 96 96 ILE HG22 H 1 0.68 0.03 . 1 . . . . . . . . 5631 1 1165 . 1 1 96 96 ILE HG23 H 1 0.68 0.03 . 1 . . . . . . . . 5631 1 1166 . 1 1 96 96 ILE HD11 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1 1167 . 1 1 96 96 ILE HD12 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1 1168 . 1 1 96 96 ILE HD13 H 1 0.65 0.03 . 1 . . . . . . . . 5631 1 1169 . 1 1 96 96 ILE C C 13 175.80 0.10 . 1 . . . . . . . . 5631 1 1170 . 1 1 96 96 ILE CA C 13 60.80 0.30 . 1 . . . . . . . . 5631 1 1171 . 1 1 96 96 ILE CB C 13 37.60 0.30 . 1 . . . . . . . . 5631 1 1172 . 1 1 96 96 ILE CG1 C 13 26.90 0.30 . 1 . . . . . . . . 5631 1 1173 . 1 1 96 96 ILE CG2 C 13 17.40 0.30 . 1 . . . . . . . . 5631 1 1174 . 1 1 96 96 ILE CD1 C 13 47.70 0.30 . 1 . . . . . . . . 5631 1 1175 . 1 1 96 96 ILE N N 15 120.78 0.40 . 1 . . . . . . . . 5631 1 1176 . 1 1 97 97 ILE H H 1 9.06 0.03 . 1 . . . . . . . . 5631 1 1177 . 1 1 97 97 ILE HA H 1 5.51 0.03 . 1 . . . . . . . . 5631 1 1178 . 1 1 97 97 ILE HB H 1 1.57 0.03 . 1 . . . . . . . . 5631 1 1179 . 1 1 97 97 ILE HG12 H 1 1.25 0.03 . 2 . . . . . . . . 5631 1 1180 . 1 1 97 97 ILE HG13 H 1 0.92 0.03 . 2 . . . . . . . . 5631 1 1181 . 1 1 97 97 ILE HG21 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 1182 . 1 1 97 97 ILE HG22 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 1183 . 1 1 97 97 ILE HG23 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 1184 . 1 1 97 97 ILE HD11 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 1185 . 1 1 97 97 ILE HD12 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 1186 . 1 1 97 97 ILE HD13 H 1 0.56 0.03 . 1 . . . . . . . . 5631 1 1187 . 1 1 97 97 ILE C C 13 174.80 0.10 . 1 . . . . . . . . 5631 1 1188 . 1 1 97 97 ILE CA C 13 56.70 0.30 . 1 . . . . . . . . 5631 1 1189 . 1 1 97 97 ILE CB C 13 42.10 0.30 . 1 . . . . . . . . 5631 1 1190 . 1 1 97 97 ILE CG1 C 13 26.50 0.30 . 1 . . . . . . . . 5631 1 1191 . 1 1 97 97 ILE CG2 C 13 19.50 0.30 . 1 . . . . . . . . 5631 1 1192 . 1 1 97 97 ILE CD1 C 13 15.20 0.30 . 1 . . . . . . . . 5631 1 1193 . 1 1 97 97 ILE N N 15 122.76 0.40 . 1 . . . . . . . . 5631 1 1194 . 1 1 98 98 VAL H H 1 9.04 0.03 . 1 . . . . . . . . 5631 1 1195 . 1 1 98 98 VAL HA H 1 4.85 0.03 . 1 . . . . . . . . 5631 1 1196 . 1 1 98 98 VAL HB H 1 1.76 0.03 . 1 . . . . . . . . 5631 1 1197 . 1 1 98 98 VAL HG11 H 1 0.83 0.03 . 1 . . . . . . . . 5631 1 1198 . 1 1 98 98 VAL HG12 H 1 0.83 0.03 . 1 . . . . . . . . 5631 1 1199 . 1 1 98 98 VAL HG13 H 1 0.83 0.03 . 1 . . . . . . . . 5631 1 1200 . 1 1 98 98 VAL HG21 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 1201 . 1 1 98 98 VAL HG22 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 1202 . 1 1 98 98 VAL HG23 H 1 0.89 0.03 . 1 . . . . . . . . 5631 1 1203 . 1 1 98 98 VAL C C 13 175.03 0.10 . 1 . . . . . . . . 5631 1 1204 . 1 1 98 98 VAL CA C 13 61.10 0.30 . 1 . . . . . . . . 5631 1 1205 . 1 1 98 98 VAL CB C 13 34.20 0.30 . 1 . . . . . . . . 5631 1 1206 . 1 1 98 98 VAL CG1 C 13 57.50 0.30 . 1 . . . . . . . . 5631 1 1207 . 1 1 98 98 VAL CG2 C 13 57.80 0.30 . 1 . . . . . . . . 5631 1 1208 . 1 1 98 98 VAL N N 15 119.61 0.40 . 1 . . . . . . . . 5631 1 1209 . 1 1 99 99 ARG H H 1 8.93 0.03 . 1 . . . . . . . . 5631 1 1210 . 1 1 99 99 ARG HA H 1 4.67 0.03 . 1 . . . . . . . . 5631 1 1211 . 1 1 99 99 ARG HB2 H 1 1.59 0.03 . 2 . . . . . . . . 5631 1 1212 . 1 1 99 99 ARG HB3 H 1 1.51 0.03 . 2 . . . . . . . . 5631 1 1213 . 1 1 99 99 ARG HG2 H 1 1.48 0.03 . 1 . . . . . . . . 5631 1 1214 . 1 1 99 99 ARG HG3 H 1 1.48 0.03 . 1 . . . . . . . . 5631 1 1215 . 1 1 99 99 ARG HD2 H 1 3.06 0.03 . 2 . . . . . . . . 5631 1 1216 . 1 1 99 99 ARG HD3 H 1 2.75 0.03 . 2 . . . . . . . . 5631 1 1217 . 1 1 99 99 ARG C C 13 174.67 0.10 . 1 . . . . . . . . 5631 1 1218 . 1 1 99 99 ARG CA C 13 54.30 0.30 . 1 . . . . . . . . 5631 1 1219 . 1 1 99 99 ARG CB C 13 34.70 0.30 . 1 . . . . . . . . 5631 1 1220 . 1 1 99 99 ARG CG C 13 34.80 0.30 . 1 . . . . . . . . 5631 1 1221 . 1 1 99 99 ARG CD C 13 43.30 0.30 . 1 . . . . . . . . 5631 1 1222 . 1 1 99 99 ARG N N 15 131.30 0.40 . 1 . . . . . . . . 5631 1 1223 . 1 1 100 100 GLU H H 1 8.96 0.03 . 1 . . . . . . . . 5631 1 1224 . 1 1 100 100 GLU HA H 1 4.66 0.03 . 1 . . . . . . . . 5631 1 1225 . 1 1 100 100 GLU HB3 H 1 1.90 0.03 . 2 . . . . . . . . 5631 1 1226 . 1 1 100 100 GLU HG2 H 1 2.32 0.03 . 2 . . . . . . . . 5631 1 1227 . 1 1 100 100 GLU HG3 H 1 2.08 0.03 . 2 . . . . . . . . 5631 1 1228 . 1 1 100 100 GLU C C 13 176.12 0.10 . 1 . . . . . . . . 5631 1 1229 . 1 1 100 100 GLU CA C 13 56.10 0.30 . 1 . . . . . . . . 5631 1 1230 . 1 1 100 100 GLU CB C 13 30.50 0.30 . 1 . . . . . . . . 5631 1 1231 . 1 1 100 100 GLU CG C 13 36.90 0.30 . 1 . . . . . . . . 5631 1 1232 . 1 1 100 100 GLU N N 15 126.73 0.40 . 1 . . . . . . . . 5631 1 1233 . 1 1 101 101 VAL H H 1 8.48 0.03 . 1 . . . . . . . . 5631 1 1234 . 1 1 101 101 VAL HA H 1 4.22 0.03 . 1 . . . . . . . . 5631 1 1235 . 1 1 101 101 VAL HB H 1 2.03 0.03 . 1 . . . . . . . . 5631 1 1236 . 1 1 101 101 VAL HG11 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1 1237 . 1 1 101 101 VAL HG12 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1 1238 . 1 1 101 101 VAL HG13 H 1 0.87 0.03 . 1 . . . . . . . . 5631 1 1239 . 1 1 101 101 VAL HG21 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 1240 . 1 1 101 101 VAL HG22 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 1241 . 1 1 101 101 VAL HG23 H 1 0.82 0.03 . 1 . . . . . . . . 5631 1 1242 . 1 1 101 101 VAL C C 13 175.44 0.10 . 1 . . . . . . . . 5631 1 1243 . 1 1 101 101 VAL CA C 13 61.40 0.30 . 1 . . . . . . . . 5631 1 1244 . 1 1 101 101 VAL CB C 13 33.60 0.30 . 1 . . . . . . . . 5631 1 1245 . 1 1 101 101 VAL CG1 C 13 57.20 0.30 . 1 . . . . . . . . 5631 1 1246 . 1 1 101 101 VAL CG2 C 13 56.20 0.30 . 1 . . . . . . . . 5631 1 1247 . 1 1 101 101 VAL N N 15 122.36 0.40 . 1 . . . . . . . . 5631 1 1248 . 1 1 102 102 SER H H 1 8.43 0.03 . 1 . . . . . . . . 5631 1 1249 . 1 1 102 102 SER HA H 1 4.58 0.03 . 1 . . . . . . . . 5631 1 1250 . 1 1 102 102 SER HB2 H 1 3.84 0.03 . 1 . . . . . . . . 5631 1 1251 . 1 1 102 102 SER HB3 H 1 3.84 0.03 . 1 . . . . . . . . 5631 1 1252 . 1 1 102 102 SER C C 13 173.77 0.10 . 1 . . . . . . . . 5631 1 1253 . 1 1 102 102 SER CA C 13 57.90 0.30 . 1 . . . . . . . . 5631 1 1254 . 1 1 102 102 SER CB C 13 64.00 0.30 . 1 . . . . . . . . 5631 1 1255 . 1 1 102 102 SER N N 15 119.93 0.40 . 1 . . . . . . . . 5631 1 1256 . 1 1 103 103 SER H H 1 8.04 0.03 . 1 . . . . . . . . 5631 1 1257 . 1 1 103 103 SER HA H 1 4.25 0.03 . 1 . . . . . . . . 5631 1 1258 . 1 1 103 103 SER HB2 H 1 3.83 0.03 . 1 . . . . . . . . 5631 1 1259 . 1 1 103 103 SER HB3 H 1 3.83 0.03 . 1 . . . . . . . . 5631 1 1260 . 1 1 103 103 SER CA C 13 59.80 0.30 . 1 . . . . . . . . 5631 1 1261 . 1 1 103 103 SER CB C 13 64.60 0.30 . 1 . . . . . . . . 5631 1 1262 . 1 1 103 103 SER N N 15 123.57 0.40 . 1 . . . . . . . . 5631 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5631 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5631 2 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 . 2 2 1 1 THR H H 1 8.17 0.03 . 1 . . . . . . . . 5631 2 2 . 2 2 1 1 THR HA H 1 4.29 0.03 . 1 . . . . . . . . 5631 2 3 . 2 2 1 1 THR HB H 1 4.19 0.03 . 1 . . . . . . . . 5631 2 4 . 2 2 1 1 THR HG21 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2 5 . 2 2 1 1 THR HG22 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2 6 . 2 2 1 1 THR HG23 H 1 1.16 0.03 . 1 . . . . . . . . 5631 2 7 . 2 2 2 2 GLY H H 1 8.40 0.03 . 1 . . . . . . . . 5631 2 8 . 2 2 2 2 GLY HA2 H 1 3.81 0.03 . 1 . . . . . . . . 5631 2 9 . 2 2 2 2 GLY HA3 H 1 3.81 0.03 . 1 . . . . . . . . 5631 2 10 . 2 2 3 3 TRP H H 1 7.94 0.03 . 1 . . . . . . . . 5631 2 11 . 2 2 3 3 TRP HA H 1 4.53 0.03 . 1 . . . . . . . . 5631 2 12 . 2 2 3 3 TRP HB2 H 1 3.00 0.03 . 1 . . . . . . . . 5631 2 13 . 2 2 3 3 TRP HB3 H 1 3.17 0.03 . 1 . . . . . . . . 5631 2 14 . 2 2 3 3 TRP HD1 H 1 7.05 0.03 . 1 . . . . . . . . 5631 2 15 . 2 2 3 3 TRP HE1 H 1 9.94 0.03 . 1 . . . . . . . . 5631 2 16 . 2 2 3 3 TRP HE3 H 1 7.46 0.03 . 1 . . . . . . . . 5631 2 17 . 2 2 3 3 TRP HZ2 H 1 7.33 0.03 . 1 . . . . . . . . 5631 2 18 . 2 2 3 3 TRP HZ3 H 1 6.92 0.03 . 1 . . . . . . . . 5631 2 19 . 2 2 3 3 TRP HH2 H 1 7.01 0.03 . 1 . . . . . . . . 5631 2 20 . 2 2 4 4 GLU H H 1 7.57 0.03 . 1 . . . . . . . . 5631 2 21 . 2 2 4 4 GLU HA H 1 5.03 0.03 . 1 . . . . . . . . 5631 2 22 . 2 2 4 4 GLU HB2 H 1 1.63 0.03 . 1 . . . . . . . . 5631 2 23 . 2 2 4 4 GLU HB3 H 1 1.63 0.03 . 1 . . . . . . . . 5631 2 24 . 2 2 4 4 GLU HG2 H 1 1.48 0.03 . 2 . . . . . . . . 5631 2 25 . 2 2 4 4 GLU HG3 H 1 1.06 0.03 . 2 . . . . . . . . 5631 2 26 . 2 2 5 5 THR H H 1 8.81 0.03 . 1 . . . . . . . . 5631 2 27 . 2 2 5 5 THR HA H 1 4.62 0.03 . 1 . . . . . . . . 5631 2 28 . 2 2 5 5 THR HB H 1 3.64 0.03 . 1 . . . . . . . . 5631 2 29 . 2 2 5 5 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2 30 . 2 2 5 5 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2 31 . 2 2 5 5 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 5631 2 32 . 2 2 6 6 TRP H H 1 8.96 0.03 . 1 . . . . . . . . 5631 2 33 . 2 2 6 6 TRP HA H 1 4.14 0.03 . 1 . . . . . . . . 5631 2 34 . 2 2 6 6 TRP HB2 H 1 2.89 0.03 . 2 . . . . . . . . 5631 2 35 . 2 2 6 6 TRP HB3 H 1 3.40 0.03 . 2 . . . . . . . . 5631 2 36 . 2 2 6 6 TRP HD1 H 1 7.24 0.03 . 1 . . . . . . . . 5631 2 37 . 2 2 6 6 TRP HE1 H 1 7.48 0.03 . 1 . . . . . . . . 5631 2 38 . 2 2 6 6 TRP HE3 H 1 7.43 0.03 . 1 . . . . . . . . 5631 2 39 . 2 2 6 6 TRP HZ2 H 1 7.14 0.03 . 1 . . . . . . . . 5631 2 40 . 2 2 6 6 TRP HZ3 H 1 6.61 0.03 . 1 . . . . . . . . 5631 2 41 . 2 2 6 6 TRP HH2 H 1 6.76 0.03 . 1 . . . . . . . . 5631 2 42 . 2 2 7 7 VAL H H 1 8.85 0.03 . 1 . . . . . . . . 5631 2 43 . 2 2 7 7 VAL HA H 1 4.26 0.03 . 1 . . . . . . . . 5631 2 44 . 2 2 7 7 VAL HB H 1 2.13 0.03 . 1 . . . . . . . . 5631 2 45 . 2 2 7 7 VAL HG11 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2 46 . 2 2 7 7 VAL HG12 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2 47 . 2 2 7 7 VAL HG13 H 1 0.68 0.03 . 1 . . . . . . . . 5631 2 48 . 2 2 7 7 VAL HG21 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2 49 . 2 2 7 7 VAL HG22 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2 50 . 2 2 7 7 VAL HG23 H 1 -0.02 0.03 . 1 . . . . . . . . 5631 2 stop_ save_