data_5320 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5320 _Entry.Title ; 1H and 15N Chemical Shift Assignments for Human B-FABP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-13 _Entry.Accession_date 2002-03-13 _Entry.Last_release_date 2002-11-04 _Entry.Original_release_date 2002-11-04 _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 Martin Rademacher . . . 5320 2 Aukje Zimmerman . W. . 5320 3 Heinz Rueterjans . . . 5320 4 Jacques Veerkamp . H. . 5320 5 Christian Luecke . . . 5320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 924 5320 '15N chemical shifts' 142 5320 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 . . 2002-11-04 2002-03-13 original author . 5320 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5320 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of fatty acid-binding protein from human brain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 239 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 61 _Citation.Page_last 68 _Citation.Year 2002 _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 Martin Rademacher . . . 5320 1 2 Aukje Zimmerman . W. . 5320 1 3 Heinz Rueterjans . . . 5320 1 4 Jacques Veerkamp . H. . 5320 1 5 Christian Luecke . . . 5320 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'lipid binding protein' 5320 1 'fatty acid carrier' 5320 1 'holo form' 5320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_B-FABP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_B-FABP _Assembly.Entry_ID 5320 _Assembly.ID 1 _Assembly.Name B-FABP _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 'all free' _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 monomer 5320 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 B-FABP 1 $B-FABP . . . native . . . . . 5320 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 1JJX . . . . . 'Solution state structure of human B-FABP' 5320 1 . Swiss-Prot O15540 . . . . . . 5320 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID B-FABP system 5320 1 B-FABP abbreviation 5320 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'fatty acid carrier' 5320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_B-FABP _Entity.Sf_category entity _Entity.Sf_framecode B-FABP _Entity.Entry_ID 5320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'brain-type fatty acid binding protein' _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 ; VEAFCATWKLTNSQNFDEYM KALGVGFATRQVGNVTKPTV IISQEGDKVVIRTLSTFKNT EISFQLGEEFDETTADDRNC KSVVSLDGDKLVHIQKWDGK ETNFVREIKDGKMVMTLTFG DVVAVRHYEKA ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16042 . hb-FABP . . . . . 100.00 131 100.00 100.00 3.71e-90 . . . . 5320 1 2 no BMRB 16046 . hb-FABP . . . . . 100.00 131 100.00 100.00 3.71e-90 . . . . 5320 1 3 no BMRB 16047 . hb-FABP . . . . . 100.00 131 100.00 100.00 3.71e-90 . . . . 5320 1 4 no BMRB 16048 . hb-FABP . . . . . 100.00 131 100.00 100.00 3.71e-90 . . . . 5320 1 5 no BMRB 16049 . hb-FABP . . . . . 100.00 131 100.00 100.00 3.71e-90 . . . . 5320 1 6 no PDB 1FDQ . "Crystal Structure Of Human Brain Fatty Acid Binding Protein" . . . . . 100.00 131 100.00 100.00 3.71e-90 . . . . 5320 1 7 no PDB 1FE3 . "Crystal Structure Of Human Brain Fatty Acid Binding Protein Oleic Acid" . . . . . 100.00 131 100.00 100.00 3.71e-90 . . . . 5320 1 8 no PDB 1JJX . "Solution Structure Of Recombinant Human Brain-Type Fatty Acid Binding Protein" . . . . . 100.00 131 100.00 100.00 3.71e-90 . . . . 5320 1 9 no DBJ BAA23324 . "fatty acid binding protein [Homo sapiens]" . . . . . 100.00 132 99.24 100.00 2.08e-89 . . . . 5320 1 10 no DBJ BAA23645 . "B-FABP [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 3.47e-90 . . . . 5320 1 11 no DBJ BAD92052 . "Hypothetical protein DKFZp547J2313 variant [Homo sapiens]" . . . . . 61.83 103 100.00 100.00 1.93e-50 . . . . 5320 1 12 no DBJ BAE90445 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 132 97.71 99.24 2.43e-88 . . . . 5320 1 13 no DBJ BAF82525 . "unnamed protein product [Homo sapiens]" . . . . . 87.79 166 100.00 100.00 6.69e-78 . . . . 5320 1 14 no EMBL CAA05773 . "hB-FABP [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 3.47e-90 . . . . 5320 1 15 no EMBL CAC21646 . "hypothetical protein [Homo sapiens]" . . . . . 87.79 166 100.00 100.00 6.69e-78 . . . . 5320 1 16 no EMBL CAG33338 . "FABP7 [Homo sapiens]" . . . . . 100.00 132 99.24 100.00 7.80e-90 . . . . 5320 1 17 no GB AAB87141 . "fatty acid binding protein [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 3.47e-90 . . . . 5320 1 18 no GB AAD00507 . "mammary derived growth inhibitor related [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 3.47e-90 . . . . 5320 1 19 no GB AAH12299 . "Fatty acid binding protein 7, brain [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 3.47e-90 . . . . 5320 1 20 no GB AAY17257 . "brain-type fatty acid-binding protein [Sus scrofa]" . . . . . 100.00 132 96.95 98.47 2.66e-87 . . . . 5320 1 21 no GB ABM82363 . "fatty acid binding protein 7, brain [synthetic construct]" . . . . . 100.00 132 100.00 100.00 3.47e-90 . . . . 5320 1 22 no REF NP_001020400 . "fatty acid-binding protein, brain [Sus scrofa]" . . . . . 100.00 132 96.95 98.47 2.66e-87 . . . . 5320 1 23 no REF NP_001244643 . "fatty acid-binding protein, brain [Macaca mulatta]" . . . . . 100.00 132 97.71 99.24 2.43e-88 . . . . 5320 1 24 no REF NP_001270567 . "uncharacterized protein LOC101865805 [Macaca fascicularis]" . . . . . 100.00 132 97.71 99.24 2.43e-88 . . . . 5320 1 25 no REF NP_001437 . "fatty acid-binding protein, brain [Homo sapiens]" . . . . . 100.00 132 100.00 100.00 3.47e-90 . . . . 5320 1 26 no REF XP_002746967 . "PREDICTED: fatty acid-binding protein, brain [Callithrix jacchus]" . . . . . 100.00 132 97.71 99.24 2.43e-88 . . . . 5320 1 27 no SP O15540 . "RecName: Full=Fatty acid-binding protein, brain; AltName: Full=Brain lipid-binding protein; Short=BLBP; AltName: Full=Brain-typ" . . . . . 100.00 132 100.00 100.00 3.47e-90 . . . . 5320 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'brain-type fatty acid binding protein' common 5320 1 B-FABP abbreviation 5320 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 . VAL . 5320 1 2 . GLU . 5320 1 3 . ALA . 5320 1 4 . PHE . 5320 1 5 . CYS . 5320 1 6 . ALA . 5320 1 7 . THR . 5320 1 8 . TRP . 5320 1 9 . LYS . 5320 1 10 . LEU . 5320 1 11 . THR . 5320 1 12 . ASN . 5320 1 13 . SER . 5320 1 14 . GLN . 5320 1 15 . ASN . 5320 1 16 . PHE . 5320 1 17 . ASP . 5320 1 18 . GLU . 5320 1 19 . TYR . 5320 1 20 . MET . 5320 1 21 . LYS . 5320 1 22 . ALA . 5320 1 23 . LEU . 5320 1 24 . GLY . 5320 1 25 . VAL . 5320 1 26 . GLY . 5320 1 27 . PHE . 5320 1 28 . ALA . 5320 1 29 . THR . 5320 1 30 . ARG . 5320 1 31 . GLN . 5320 1 32 . VAL . 5320 1 33 . GLY . 5320 1 34 . ASN . 5320 1 35 . VAL . 5320 1 36 . THR . 5320 1 37 . LYS . 5320 1 38 . PRO . 5320 1 39 . THR . 5320 1 40 . VAL . 5320 1 41 . ILE . 5320 1 42 . ILE . 5320 1 43 . SER . 5320 1 44 . GLN . 5320 1 45 . GLU . 5320 1 46 . GLY . 5320 1 47 . ASP . 5320 1 48 . LYS . 5320 1 49 . VAL . 5320 1 50 . VAL . 5320 1 51 . ILE . 5320 1 52 . ARG . 5320 1 53 . THR . 5320 1 54 . LEU . 5320 1 55 . SER . 5320 1 56 . THR . 5320 1 57 . PHE . 5320 1 58 . LYS . 5320 1 59 . ASN . 5320 1 60 . THR . 5320 1 61 . GLU . 5320 1 62 . ILE . 5320 1 63 . SER . 5320 1 64 . PHE . 5320 1 65 . GLN . 5320 1 66 . LEU . 5320 1 67 . GLY . 5320 1 68 . GLU . 5320 1 69 . GLU . 5320 1 70 . PHE . 5320 1 71 . ASP . 5320 1 72 . GLU . 5320 1 73 . THR . 5320 1 74 . THR . 5320 1 75 . ALA . 5320 1 76 . ASP . 5320 1 77 . ASP . 5320 1 78 . ARG . 5320 1 79 . ASN . 5320 1 80 . CYS . 5320 1 81 . LYS . 5320 1 82 . SER . 5320 1 83 . VAL . 5320 1 84 . VAL . 5320 1 85 . SER . 5320 1 86 . LEU . 5320 1 87 . ASP . 5320 1 88 . GLY . 5320 1 89 . ASP . 5320 1 90 . LYS . 5320 1 91 . LEU . 5320 1 92 . VAL . 5320 1 93 . HIS . 5320 1 94 . ILE . 5320 1 95 . GLN . 5320 1 96 . LYS . 5320 1 97 . TRP . 5320 1 98 . ASP . 5320 1 99 . GLY . 5320 1 100 . LYS . 5320 1 101 . GLU . 5320 1 102 . THR . 5320 1 103 . ASN . 5320 1 104 . PHE . 5320 1 105 . VAL . 5320 1 106 . ARG . 5320 1 107 . GLU . 5320 1 108 . ILE . 5320 1 109 . LYS . 5320 1 110 . ASP . 5320 1 111 . GLY . 5320 1 112 . LYS . 5320 1 113 . MET . 5320 1 114 . VAL . 5320 1 115 . MET . 5320 1 116 . THR . 5320 1 117 . LEU . 5320 1 118 . THR . 5320 1 119 . PHE . 5320 1 120 . GLY . 5320 1 121 . ASP . 5320 1 122 . VAL . 5320 1 123 . VAL . 5320 1 124 . ALA . 5320 1 125 . VAL . 5320 1 126 . ARG . 5320 1 127 . HIS . 5320 1 128 . TYR . 5320 1 129 . GLU . 5320 1 130 . LYS . 5320 1 131 . ALA . 5320 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 . VAL 1 1 5320 1 . GLU 2 2 5320 1 . ALA 3 3 5320 1 . PHE 4 4 5320 1 . CYS 5 5 5320 1 . ALA 6 6 5320 1 . THR 7 7 5320 1 . TRP 8 8 5320 1 . LYS 9 9 5320 1 . LEU 10 10 5320 1 . THR 11 11 5320 1 . ASN 12 12 5320 1 . SER 13 13 5320 1 . GLN 14 14 5320 1 . ASN 15 15 5320 1 . PHE 16 16 5320 1 . ASP 17 17 5320 1 . GLU 18 18 5320 1 . TYR 19 19 5320 1 . MET 20 20 5320 1 . LYS 21 21 5320 1 . ALA 22 22 5320 1 . LEU 23 23 5320 1 . GLY 24 24 5320 1 . VAL 25 25 5320 1 . GLY 26 26 5320 1 . PHE 27 27 5320 1 . ALA 28 28 5320 1 . THR 29 29 5320 1 . ARG 30 30 5320 1 . GLN 31 31 5320 1 . VAL 32 32 5320 1 . GLY 33 33 5320 1 . ASN 34 34 5320 1 . VAL 35 35 5320 1 . THR 36 36 5320 1 . LYS 37 37 5320 1 . PRO 38 38 5320 1 . THR 39 39 5320 1 . VAL 40 40 5320 1 . ILE 41 41 5320 1 . ILE 42 42 5320 1 . SER 43 43 5320 1 . GLN 44 44 5320 1 . GLU 45 45 5320 1 . GLY 46 46 5320 1 . ASP 47 47 5320 1 . LYS 48 48 5320 1 . VAL 49 49 5320 1 . VAL 50 50 5320 1 . ILE 51 51 5320 1 . ARG 52 52 5320 1 . THR 53 53 5320 1 . LEU 54 54 5320 1 . SER 55 55 5320 1 . THR 56 56 5320 1 . PHE 57 57 5320 1 . LYS 58 58 5320 1 . ASN 59 59 5320 1 . THR 60 60 5320 1 . GLU 61 61 5320 1 . ILE 62 62 5320 1 . SER 63 63 5320 1 . PHE 64 64 5320 1 . GLN 65 65 5320 1 . LEU 66 66 5320 1 . GLY 67 67 5320 1 . GLU 68 68 5320 1 . GLU 69 69 5320 1 . PHE 70 70 5320 1 . ASP 71 71 5320 1 . GLU 72 72 5320 1 . THR 73 73 5320 1 . THR 74 74 5320 1 . ALA 75 75 5320 1 . ASP 76 76 5320 1 . ASP 77 77 5320 1 . ARG 78 78 5320 1 . ASN 79 79 5320 1 . CYS 80 80 5320 1 . LYS 81 81 5320 1 . SER 82 82 5320 1 . VAL 83 83 5320 1 . VAL 84 84 5320 1 . SER 85 85 5320 1 . LEU 86 86 5320 1 . ASP 87 87 5320 1 . GLY 88 88 5320 1 . ASP 89 89 5320 1 . LYS 90 90 5320 1 . LEU 91 91 5320 1 . VAL 92 92 5320 1 . HIS 93 93 5320 1 . ILE 94 94 5320 1 . GLN 95 95 5320 1 . LYS 96 96 5320 1 . TRP 97 97 5320 1 . ASP 98 98 5320 1 . GLY 99 99 5320 1 . LYS 100 100 5320 1 . GLU 101 101 5320 1 . THR 102 102 5320 1 . ASN 103 103 5320 1 . PHE 104 104 5320 1 . VAL 105 105 5320 1 . ARG 106 106 5320 1 . GLU 107 107 5320 1 . ILE 108 108 5320 1 . LYS 109 109 5320 1 . ASP 110 110 5320 1 . GLY 111 111 5320 1 . LYS 112 112 5320 1 . MET 113 113 5320 1 . VAL 114 114 5320 1 . MET 115 115 5320 1 . THR 116 116 5320 1 . LEU 117 117 5320 1 . THR 118 118 5320 1 . PHE 119 119 5320 1 . GLY 120 120 5320 1 . ASP 121 121 5320 1 . VAL 122 122 5320 1 . VAL 123 123 5320 1 . ALA 124 124 5320 1 . VAL 125 125 5320 1 . ARG 126 126 5320 1 . HIS 127 127 5320 1 . TYR 128 128 5320 1 . GLU 129 129 5320 1 . LYS 130 130 5320 1 . ALA 131 131 5320 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5320 _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 $B-FABP . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . FABP7 . . . . 5320 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 5320 _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 $B-FABP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . pET-3d . . . . . . 5320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5320 _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 'brain-type fatty acid binding protein' . . . 1 $B-FABP . . . 2 4 mM . . . . 5320 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5320 _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 'brain-type fatty acid binding protein' [U-15N] . . 1 $B-FABP . . . 2 4 mM . . . . 5320 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5320 _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 7.0 0.1 n/a 5320 1 temperature 298 0.1 K 5320 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5320 _Software.ID 1 _Software.Name XWINNMR _Software.Version 1.3 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5320 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 5320 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.5.9 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 5320 2 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 5320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5320 _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 DMX . 600 . . . 5320 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 5320 _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 '1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5320 1 2 '1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5320 1 3 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5320 1 4 '1H-15N HTQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5320 1 5 '3D 1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5320 1 6 '3D 1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5320 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 5320 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5320 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-1H 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5320 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N HSQC' _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 5320 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N HTQC' _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 5320 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H-15N TOCSY-HSQC' _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 5320 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-15N NOESY-HSQC' _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 5320 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5320 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5320 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_1 _Assigned_chem_shift_list.Entry_ID 5320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 5320 1 . . 2 $sample_2 . 5320 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 VAL HA H 1 4.21 0.01 . 1 . . . . . . . . 5320 1 2 . 1 1 1 1 VAL HB H 1 2.28 0.01 . 1 . . . . . . . . 5320 1 3 . 1 1 1 1 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 5320 1 4 . 1 1 1 1 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 5320 1 5 . 1 1 1 1 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 5320 1 6 . 1 1 1 1 VAL HG21 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 7 . 1 1 1 1 VAL HG22 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 8 . 1 1 1 1 VAL HG23 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 9 . 1 1 2 2 GLU H H 1 9.46 0.01 . 1 . . . . . . . . 5320 1 10 . 1 1 2 2 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 5320 1 11 . 1 1 2 2 GLU HB2 H 1 2.07 0.01 . 1 . . . . . . . . 5320 1 12 . 1 1 2 2 GLU HB3 H 1 2.07 0.01 . 1 . . . . . . . . 5320 1 13 . 1 1 2 2 GLU HG2 H 1 2.43 0.01 . 1 . . . . . . . . 5320 1 14 . 1 1 2 2 GLU HG3 H 1 2.43 0.01 . 1 . . . . . . . . 5320 1 15 . 1 1 2 2 GLU N N 15 121.9 0.1 . 1 . . . . . . . . 5320 1 16 . 1 1 3 3 ALA H H 1 8.02 0.01 . 1 . . . . . . . . 5320 1 17 . 1 1 3 3 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 5320 1 18 . 1 1 3 3 ALA HB1 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 19 . 1 1 3 3 ALA HB2 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 20 . 1 1 3 3 ALA HB3 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 21 . 1 1 3 3 ALA N N 15 121.0 0.1 . 1 . . . . . . . . 5320 1 22 . 1 1 4 4 PHE H H 1 8.02 0.01 . 1 . . . . . . . . 5320 1 23 . 1 1 4 4 PHE HA H 1 4.40 0.01 . 1 . . . . . . . . 5320 1 24 . 1 1 4 4 PHE HB2 H 1 3.05 0.01 . 1 . . . . . . . . 5320 1 25 . 1 1 4 4 PHE HB3 H 1 3.29 0.01 . 1 . . . . . . . . 5320 1 26 . 1 1 4 4 PHE HD1 H 1 7.12 0.01 . 1 . . . . . . . . 5320 1 27 . 1 1 4 4 PHE HD2 H 1 7.12 0.01 . 1 . . . . . . . . 5320 1 28 . 1 1 4 4 PHE HE1 H 1 6.90 0.01 . 1 . . . . . . . . 5320 1 29 . 1 1 4 4 PHE HE2 H 1 6.90 0.01 . 1 . . . . . . . . 5320 1 30 . 1 1 4 4 PHE HZ H 1 7.57 0.01 . 1 . . . . . . . . 5320 1 31 . 1 1 4 4 PHE N N 15 111.3 0.1 . 1 . . . . . . . . 5320 1 32 . 1 1 5 5 CYS H H 1 7.44 0.01 . 1 . . . . . . . . 5320 1 33 . 1 1 5 5 CYS HA H 1 4.56 0.01 . 1 . . . . . . . . 5320 1 34 . 1 1 5 5 CYS HB2 H 1 3.32 0.01 . 1 . . . . . . . . 5320 1 35 . 1 1 5 5 CYS HB3 H 1 2.76 0.01 . 1 . . . . . . . . 5320 1 36 . 1 1 5 5 CYS N N 15 116.7 0.1 . 1 . . . . . . . . 5320 1 37 . 1 1 6 6 ALA H H 1 8.42 0.01 . 1 . . . . . . . . 5320 1 38 . 1 1 6 6 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 5320 1 39 . 1 1 6 6 ALA HB1 H 1 0.67 0.01 . 1 . . . . . . . . 5320 1 40 . 1 1 6 6 ALA HB2 H 1 0.67 0.01 . 1 . . . . . . . . 5320 1 41 . 1 1 6 6 ALA HB3 H 1 0.67 0.01 . 1 . . . . . . . . 5320 1 42 . 1 1 6 6 ALA N N 15 129.5 0.1 . 1 . . . . . . . . 5320 1 43 . 1 1 7 7 THR H H 1 7.85 0.01 . 1 . . . . . . . . 5320 1 44 . 1 1 7 7 THR HA H 1 4.67 0.01 . 1 . . . . . . . . 5320 1 45 . 1 1 7 7 THR HB H 1 3.93 0.01 . 1 . . . . . . . . 5320 1 46 . 1 1 7 7 THR HG21 H 1 1.05 0.01 . 1 . . . . . . . . 5320 1 47 . 1 1 7 7 THR HG22 H 1 1.05 0.01 . 1 . . . . . . . . 5320 1 48 . 1 1 7 7 THR HG23 H 1 1.05 0.01 . 1 . . . . . . . . 5320 1 49 . 1 1 7 7 THR N N 15 115.5 0.1 . 1 . . . . . . . . 5320 1 50 . 1 1 8 8 TRP H H 1 9.71 0.01 . 1 . . . . . . . . 5320 1 51 . 1 1 8 8 TRP HA H 1 5.30 0.01 . 1 . . . . . . . . 5320 1 52 . 1 1 8 8 TRP HB2 H 1 3.20 0.01 . 1 . . . . . . . . 5320 1 53 . 1 1 8 8 TRP HB3 H 1 3.20 0.01 . 1 . . . . . . . . 5320 1 54 . 1 1 8 8 TRP HD1 H 1 7.06 0.01 . 1 . . . . . . . . 5320 1 55 . 1 1 8 8 TRP HE1 H 1 10.07 0.01 . 1 . . . . . . . . 5320 1 56 . 1 1 8 8 TRP HE3 H 1 7.15 0.01 . 1 . . . . . . . . 5320 1 57 . 1 1 8 8 TRP HZ2 H 1 7.29 0.01 . 1 . . . . . . . . 5320 1 58 . 1 1 8 8 TRP HZ3 H 1 7.19 0.01 . 1 . . . . . . . . 5320 1 59 . 1 1 8 8 TRP HH2 H 1 6.84 0.01 . 1 . . . . . . . . 5320 1 60 . 1 1 8 8 TRP N N 15 127.8 0.1 . 1 . . . . . . . . 5320 1 61 . 1 1 8 8 TRP NE1 N 15 129.3 0.1 . 1 . . . . . . . . 5320 1 62 . 1 1 9 9 LYS H H 1 9.81 0.01 . 1 . . . . . . . . 5320 1 63 . 1 1 9 9 LYS HA H 1 5.40 0.01 . 1 . . . . . . . . 5320 1 64 . 1 1 9 9 LYS HB2 H 1 1.82 0.01 . 1 . . . . . . . . 5320 1 65 . 1 1 9 9 LYS HB3 H 1 1.94 0.01 . 1 . . . . . . . . 5320 1 66 . 1 1 9 9 LYS HG2 H 1 1.56 0.01 . 1 . . . . . . . . 5320 1 67 . 1 1 9 9 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 5320 1 68 . 1 1 9 9 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 5320 1 69 . 1 1 9 9 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 5320 1 70 . 1 1 9 9 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 5320 1 71 . 1 1 9 9 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 5320 1 72 . 1 1 9 9 LYS N N 15 121.1 0.1 . 1 . . . . . . . . 5320 1 73 . 1 1 10 10 LEU H H 1 7.77 0.01 . 1 . . . . . . . . 5320 1 74 . 1 1 10 10 LEU HA H 1 3.89 0.01 . 1 . . . . . . . . 5320 1 75 . 1 1 10 10 LEU HB2 H 1 1.54 0.01 . 1 . . . . . . . . 5320 1 76 . 1 1 10 10 LEU HB3 H 1 1.54 0.01 . 1 . . . . . . . . 5320 1 77 . 1 1 10 10 LEU HG H 1 1.34 0.01 . 1 . . . . . . . . 5320 1 78 . 1 1 10 10 LEU HD11 H 1 0.83 0.01 . 1 . . . . . . . . 5320 1 79 . 1 1 10 10 LEU HD12 H 1 0.83 0.01 . 1 . . . . . . . . 5320 1 80 . 1 1 10 10 LEU HD13 H 1 0.83 0.01 . 1 . . . . . . . . 5320 1 81 . 1 1 10 10 LEU HD21 H 1 0.35 0.01 . 1 . . . . . . . . 5320 1 82 . 1 1 10 10 LEU HD22 H 1 0.35 0.01 . 1 . . . . . . . . 5320 1 83 . 1 1 10 10 LEU HD23 H 1 0.35 0.01 . 1 . . . . . . . . 5320 1 84 . 1 1 10 10 LEU N N 15 125.7 0.1 . 1 . . . . . . . . 5320 1 85 . 1 1 11 11 THR H H 1 9.54 0.01 . 1 . . . . . . . . 5320 1 86 . 1 1 11 11 THR HA H 1 4.58 0.01 . 1 . . . . . . . . 5320 1 87 . 1 1 11 11 THR HB H 1 4.18 0.01 . 1 . . . . . . . . 5320 1 88 . 1 1 11 11 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 5320 1 89 . 1 1 11 11 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 5320 1 90 . 1 1 11 11 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 5320 1 91 . 1 1 11 11 THR N N 15 118.2 0.1 . 1 . . . . . . . . 5320 1 92 . 1 1 12 12 ASN H H 1 7.65 0.01 . 1 . . . . . . . . 5320 1 93 . 1 1 12 12 ASN HA H 1 4.87 0.01 . 1 . . . . . . . . 5320 1 94 . 1 1 12 12 ASN HB2 H 1 2.72 0.01 . 1 . . . . . . . . 5320 1 95 . 1 1 12 12 ASN HB3 H 1 2.58 0.01 . 1 . . . . . . . . 5320 1 96 . 1 1 12 12 ASN HD21 H 1 7.77 0.01 . 1 . . . . . . . . 5320 1 97 . 1 1 12 12 ASN HD22 H 1 7.23 0.01 . 1 . . . . . . . . 5320 1 98 . 1 1 12 12 ASN N N 15 118.4 0.1 . 1 . . . . . . . . 5320 1 99 . 1 1 12 12 ASN ND2 N 15 111.1 0.1 . 1 . . . . . . . . 5320 1 100 . 1 1 13 13 SER HA H 1 5.08 0.01 . 1 . . . . . . . . 5320 1 101 . 1 1 13 13 SER HB2 H 1 3.44 0.01 . 1 . . . . . . . . 5320 1 102 . 1 1 13 13 SER HB3 H 1 3.72 0.01 . 1 . . . . . . . . 5320 1 103 . 1 1 14 14 GLN H H 1 9.34 0.01 . 1 . . . . . . . . 5320 1 104 . 1 1 14 14 GLN HA H 1 4.84 0.01 . 1 . . . . . . . . 5320 1 105 . 1 1 14 14 GLN HB2 H 1 2.03 0.01 . 1 . . . . . . . . 5320 1 106 . 1 1 14 14 GLN HB3 H 1 2.20 0.01 . 1 . . . . . . . . 5320 1 107 . 1 1 14 14 GLN HG2 H 1 2.35 0.01 . 1 . . . . . . . . 5320 1 108 . 1 1 14 14 GLN HG3 H 1 2.35 0.01 . 1 . . . . . . . . 5320 1 109 . 1 1 14 14 GLN HE21 H 1 7.64 0.01 . 1 . . . . . . . . 5320 1 110 . 1 1 14 14 GLN HE22 H 1 6.89 0.01 . 1 . . . . . . . . 5320 1 111 . 1 1 14 14 GLN N N 15 127.3 0.1 . 1 . . . . . . . . 5320 1 112 . 1 1 14 14 GLN NE2 N 15 112.1 0.1 . 1 . . . . . . . . 5320 1 113 . 1 1 15 15 ASN H H 1 9.42 0.01 . 1 . . . . . . . . 5320 1 114 . 1 1 15 15 ASN HA H 1 4.83 0.01 . 1 . . . . . . . . 5320 1 115 . 1 1 15 15 ASN HB2 H 1 2.75 0.01 . 1 . . . . . . . . 5320 1 116 . 1 1 15 15 ASN HB3 H 1 3.83 0.01 . 1 . . . . . . . . 5320 1 117 . 1 1 15 15 ASN HD21 H 1 7.38 0.01 . 1 . . . . . . . . 5320 1 118 . 1 1 15 15 ASN HD22 H 1 6.77 0.01 . 1 . . . . . . . . 5320 1 119 . 1 1 15 15 ASN N N 15 122.6 0.1 . 1 . . . . . . . . 5320 1 120 . 1 1 15 15 ASN ND2 N 15 114.6 0.1 . 1 . . . . . . . . 5320 1 121 . 1 1 16 16 PHE H H 1 8.74 0.01 . 1 . . . . . . . . 5320 1 122 . 1 1 16 16 PHE HA H 1 4.47 0.01 . 1 . . . . . . . . 5320 1 123 . 1 1 16 16 PHE HB2 H 1 2.93 0.01 . 1 . . . . . . . . 5320 1 124 . 1 1 16 16 PHE HB3 H 1 3.20 0.01 . 1 . . . . . . . . 5320 1 125 . 1 1 16 16 PHE HD1 H 1 7.04 0.01 . 1 . . . . . . . . 5320 1 126 . 1 1 16 16 PHE HD2 H 1 7.04 0.01 . 1 . . . . . . . . 5320 1 127 . 1 1 16 16 PHE HE1 H 1 7.04 0.01 . 9 . . . . . . . . 5320 1 128 . 1 1 16 16 PHE HE2 H 1 7.04 0.01 . 9 . . . . . . . . 5320 1 129 . 1 1 16 16 PHE HZ H 1 6.94 0.01 . 9 . . . . . . . . 5320 1 130 . 1 1 16 16 PHE N N 15 119.8 0.1 . 1 . . . . . . . . 5320 1 131 . 1 1 17 17 ASP H H 1 8.70 0.01 . 1 . . . . . . . . 5320 1 132 . 1 1 17 17 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 5320 1 133 . 1 1 17 17 ASP HB2 H 1 2.54 0.01 . 1 . . . . . . . . 5320 1 134 . 1 1 17 17 ASP HB3 H 1 2.91 0.01 . 1 . . . . . . . . 5320 1 135 . 1 1 17 17 ASP N N 15 119.8 0.1 . 1 . . . . . . . . 5320 1 136 . 1 1 18 18 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 5320 1 137 . 1 1 18 18 GLU HA H 1 3.79 0.01 . 1 . . . . . . . . 5320 1 138 . 1 1 18 18 GLU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 5320 1 139 . 1 1 18 18 GLU HB3 H 1 1.94 0.01 . 1 . . . . . . . . 5320 1 140 . 1 1 18 18 GLU HG2 H 1 2.49 0.01 . 1 . . . . . . . . 5320 1 141 . 1 1 18 18 GLU HG3 H 1 2.41 0.01 . 1 . . . . . . . . 5320 1 142 . 1 1 18 18 GLU N N 15 117.9 0.1 . 1 . . . . . . . . 5320 1 143 . 1 1 19 19 TYR H H 1 7.61 0.01 . 1 . . . . . . . . 5320 1 144 . 1 1 19 19 TYR HA H 1 3.95 0.01 . 1 . . . . . . . . 5320 1 145 . 1 1 19 19 TYR HB2 H 1 3.04 0.01 . 1 . . . . . . . . 5320 1 146 . 1 1 19 19 TYR HB3 H 1 2.93 0.01 . 1 . . . . . . . . 5320 1 147 . 1 1 19 19 TYR HD1 H 1 6.70 0.01 . 1 . . . . . . . . 5320 1 148 . 1 1 19 19 TYR HD2 H 1 6.70 0.01 . 1 . . . . . . . . 5320 1 149 . 1 1 19 19 TYR HE1 H 1 6.39 0.01 . 1 . . . . . . . . 5320 1 150 . 1 1 19 19 TYR HE2 H 1 6.39 0.01 . 1 . . . . . . . . 5320 1 151 . 1 1 19 19 TYR N N 15 121.0 0.1 . 1 . . . . . . . . 5320 1 152 . 1 1 20 20 MET H H 1 8.24 0.01 . 1 . . . . . . . . 5320 1 153 . 1 1 20 20 MET HA H 1 3.26 0.01 . 1 . . . . . . . . 5320 1 154 . 1 1 20 20 MET HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5320 1 155 . 1 1 20 20 MET HB3 H 1 2.13 0.01 . 1 . . . . . . . . 5320 1 156 . 1 1 20 20 MET HG2 H 1 1.26 0.01 . 1 . . . . . . . . 5320 1 157 . 1 1 20 20 MET HG3 H 1 1.40 0.01 . 1 . . . . . . . . 5320 1 158 . 1 1 20 20 MET HE1 H 1 2.12 0.01 . 9 . . . . . . . . 5320 1 159 . 1 1 20 20 MET HE2 H 1 2.12 0.01 . 9 . . . . . . . . 5320 1 160 . 1 1 20 20 MET HE3 H 1 2.12 0.01 . 9 . . . . . . . . 5320 1 161 . 1 1 20 20 MET N N 15 116.9 0.1 . 1 . . . . . . . . 5320 1 162 . 1 1 21 21 LYS H H 1 8.52 0.01 . 1 . . . . . . . . 5320 1 163 . 1 1 21 21 LYS HA H 1 3.75 0.01 . 1 . . . . . . . . 5320 1 164 . 1 1 21 21 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5320 1 165 . 1 1 21 21 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5320 1 166 . 1 1 21 21 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 5320 1 167 . 1 1 21 21 LYS HG3 H 1 1.21 0.01 . 1 . . . . . . . . 5320 1 168 . 1 1 21 21 LYS HD2 H 1 1.63 0.01 . 1 . . . . . . . . 5320 1 169 . 1 1 21 21 LYS HD3 H 1 1.63 0.01 . 1 . . . . . . . . 5320 1 170 . 1 1 21 21 LYS HE2 H 1 2.88 0.01 . 1 . . . . . . . . 5320 1 171 . 1 1 21 21 LYS HE3 H 1 2.88 0.01 . 1 . . . . . . . . 5320 1 172 . 1 1 21 21 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 5320 1 173 . 1 1 22 22 ALA H H 1 8.07 0.01 . 1 . . . . . . . . 5320 1 174 . 1 1 22 22 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 5320 1 175 . 1 1 22 22 ALA HB1 H 1 1.63 0.01 . 1 . . . . . . . . 5320 1 176 . 1 1 22 22 ALA HB2 H 1 1.63 0.01 . 1 . . . . . . . . 5320 1 177 . 1 1 22 22 ALA HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5320 1 178 . 1 1 22 22 ALA N N 15 124.0 0.1 . 1 . . . . . . . . 5320 1 179 . 1 1 23 23 LEU H H 1 7.38 0.01 . 1 . . . . . . . . 5320 1 180 . 1 1 23 23 LEU HA H 1 3.39 0.01 . 1 . . . . . . . . 5320 1 181 . 1 1 23 23 LEU HB2 H 1 1.17 0.01 . 1 . . . . . . . . 5320 1 182 . 1 1 23 23 LEU HB3 H 1 1.17 0.01 . 1 . . . . . . . . 5320 1 183 . 1 1 23 23 LEU HG H 1 1.04 0.01 . 1 . . . . . . . . 5320 1 184 . 1 1 23 23 LEU HD11 H 1 0.20 0.01 . 1 . . . . . . . . 5320 1 185 . 1 1 23 23 LEU HD12 H 1 0.20 0.01 . 1 . . . . . . . . 5320 1 186 . 1 1 23 23 LEU HD13 H 1 0.20 0.01 . 1 . . . . . . . . 5320 1 187 . 1 1 23 23 LEU HD21 H 1 0.24 0.01 . 1 . . . . . . . . 5320 1 188 . 1 1 23 23 LEU HD22 H 1 0.24 0.01 . 1 . . . . . . . . 5320 1 189 . 1 1 23 23 LEU HD23 H 1 0.24 0.01 . 1 . . . . . . . . 5320 1 190 . 1 1 23 23 LEU N N 15 116.3 0.1 . 1 . . . . . . . . 5320 1 191 . 1 1 24 24 GLY H H 1 7.61 0.01 . 1 . . . . . . . . 5320 1 192 . 1 1 24 24 GLY HA2 H 1 3.61 0.01 . 1 . . . . . . . . 5320 1 193 . 1 1 24 24 GLY HA3 H 1 4.17 0.01 . 1 . . . . . . . . 5320 1 194 . 1 1 24 24 GLY N N 15 106.0 0.1 . 1 . . . . . . . . 5320 1 195 . 1 1 25 25 VAL H H 1 7.55 0.01 . 1 . . . . . . . . 5320 1 196 . 1 1 25 25 VAL HA H 1 3.69 0.01 . 1 . . . . . . . . 5320 1 197 . 1 1 25 25 VAL HB H 1 1.40 0.01 . 1 . . . . . . . . 5320 1 198 . 1 1 25 25 VAL HG11 H 1 0.79 0.01 . 1 . . . . . . . . 5320 1 199 . 1 1 25 25 VAL HG12 H 1 0.79 0.01 . 1 . . . . . . . . 5320 1 200 . 1 1 25 25 VAL HG13 H 1 0.79 0.01 . 1 . . . . . . . . 5320 1 201 . 1 1 25 25 VAL HG21 H 1 0.95 0.01 . 1 . . . . . . . . 5320 1 202 . 1 1 25 25 VAL HG22 H 1 0.95 0.01 . 1 . . . . . . . . 5320 1 203 . 1 1 25 25 VAL HG23 H 1 0.95 0.01 . 1 . . . . . . . . 5320 1 204 . 1 1 25 25 VAL N N 15 122.0 0.1 . 1 . . . . . . . . 5320 1 205 . 1 1 26 26 GLY H H 1 8.94 0.01 . 1 . . . . . . . . 5320 1 206 . 1 1 26 26 GLY HA2 H 1 4.04 0.01 . 1 . . . . . . . . 5320 1 207 . 1 1 26 26 GLY HA3 H 1 4.00 0.01 . 1 . . . . . . . . 5320 1 208 . 1 1 26 26 GLY N N 15 115.8 0.1 . 1 . . . . . . . . 5320 1 209 . 1 1 27 27 PHE H H 1 8.69 0.01 . 9 . . . . . . . . 5320 1 210 . 1 1 27 27 PHE HA H 1 3.85 0.01 . 1 . . . . . . . . 5320 1 211 . 1 1 27 27 PHE HB2 H 1 3.26 0.01 . 1 . . . . . . . . 5320 1 212 . 1 1 27 27 PHE HB3 H 1 3.03 0.01 . 1 . . . . . . . . 5320 1 213 . 1 1 27 27 PHE HD1 H 1 7.18 0.01 . 1 . . . . . . . . 5320 1 214 . 1 1 27 27 PHE HD2 H 1 7.18 0.01 . 1 . . . . . . . . 5320 1 215 . 1 1 27 27 PHE HE1 H 1 7.30 0.01 . 9 . . . . . . . . 5320 1 216 . 1 1 27 27 PHE HE2 H 1 7.30 0.01 . 9 . . . . . . . . 5320 1 217 . 1 1 27 27 PHE HZ H 1 7.30 0.01 . 9 . . . . . . . . 5320 1 218 . 1 1 27 27 PHE N N 15 121.0 0.1 . 9 . . . . . . . . 5320 1 219 . 1 1 28 28 ALA H H 1 8.83 0.01 . 1 . . . . . . . . 5320 1 220 . 1 1 28 28 ALA HA H 1 3.96 0.01 . 1 . . . . . . . . 5320 1 221 . 1 1 28 28 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 5320 1 222 . 1 1 28 28 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5320 1 223 . 1 1 28 28 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5320 1 224 . 1 1 28 28 ALA N N 15 120.8 0.1 . 1 . . . . . . . . 5320 1 225 . 1 1 29 29 THR H H 1 7.61 0.01 . 1 . . . . . . . . 5320 1 226 . 1 1 29 29 THR HA H 1 3.70 0.01 . 1 . . . . . . . . 5320 1 227 . 1 1 29 29 THR HB H 1 3.91 0.01 . 1 . . . . . . . . 5320 1 228 . 1 1 29 29 THR HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 229 . 1 1 29 29 THR HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 230 . 1 1 29 29 THR HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 231 . 1 1 29 29 THR N N 15 115.8 0.1 . 1 . . . . . . . . 5320 1 232 . 1 1 30 30 ARG H H 1 8.44 0.01 . 1 . . . . . . . . 5320 1 233 . 1 1 30 30 ARG HA H 1 3.87 0.01 . 1 . . . . . . . . 5320 1 234 . 1 1 30 30 ARG HB2 H 1 1.67 0.01 . 1 . . . . . . . . 5320 1 235 . 1 1 30 30 ARG HB3 H 1 1.67 0.01 . 1 . . . . . . . . 5320 1 236 . 1 1 30 30 ARG N N 15 122.9 0.1 . 1 . . . . . . . . 5320 1 237 . 1 1 31 31 GLN H H 1 7.73 0.01 . 1 . . . . . . . . 5320 1 238 . 1 1 31 31 GLN HA H 1 3.84 0.01 . 1 . . . . . . . . 5320 1 239 . 1 1 31 31 GLN HB2 H 1 1.89 0.01 . 1 . . . . . . . . 5320 1 240 . 1 1 31 31 GLN HB3 H 1 1.89 0.01 . 1 . . . . . . . . 5320 1 241 . 1 1 31 31 GLN HG2 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 242 . 1 1 31 31 GLN HG3 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 243 . 1 1 31 31 GLN HE21 H 1 6.84 0.01 . 1 . . . . . . . . 5320 1 244 . 1 1 31 31 GLN HE22 H 1 6.82 0.01 . 1 . . . . . . . . 5320 1 245 . 1 1 31 31 GLN N N 15 116.2 0.1 . 1 . . . . . . . . 5320 1 246 . 1 1 31 31 GLN NE2 N 15 113.5 0.1 . 1 . . . . . . . . 5320 1 247 . 1 1 32 32 VAL H H 1 6.80 0.01 . 1 . . . . . . . . 5320 1 248 . 1 1 32 32 VAL HA H 1 3.70 0.01 . 1 . . . . . . . . 5320 1 249 . 1 1 32 32 VAL HB H 1 1.74 0.01 . 1 . . . . . . . . 5320 1 250 . 1 1 32 32 VAL HG11 H 1 0.53 0.01 . 1 . . . . . . . . 5320 1 251 . 1 1 32 32 VAL HG12 H 1 0.53 0.01 . 1 . . . . . . . . 5320 1 252 . 1 1 32 32 VAL HG13 H 1 0.53 0.01 . 1 . . . . . . . . 5320 1 253 . 1 1 32 32 VAL HG21 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 254 . 1 1 32 32 VAL HG22 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 255 . 1 1 32 32 VAL HG23 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 256 . 1 1 32 32 VAL N N 15 116.9 0.1 . 1 . . . . . . . . 5320 1 257 . 1 1 33 33 GLY H H 1 8.87 0.01 . 1 . . . . . . . . 5320 1 258 . 1 1 33 33 GLY HA2 H 1 3.54 0.01 . 1 . . . . . . . . 5320 1 259 . 1 1 33 33 GLY HA3 H 1 3.65 0.01 . 1 . . . . . . . . 5320 1 260 . 1 1 33 33 GLY N N 15 110.7 0.1 . 1 . . . . . . . . 5320 1 261 . 1 1 34 34 ASN H H 1 8.29 0.01 . 1 . . . . . . . . 5320 1 262 . 1 1 34 34 ASN HA H 1 4.83 0.01 . 1 . . . . . . . . 5320 1 263 . 1 1 34 34 ASN HB2 H 1 2.76 0.01 . 1 . . . . . . . . 5320 1 264 . 1 1 34 34 ASN HB3 H 1 2.68 0.01 . 1 . . . . . . . . 5320 1 265 . 1 1 34 34 ASN HD21 H 1 7.41 0.01 . 1 . . . . . . . . 5320 1 266 . 1 1 34 34 ASN HD22 H 1 6.80 0.01 . 1 . . . . . . . . 5320 1 267 . 1 1 34 34 ASN N N 15 116.8 0.1 . 1 . . . . . . . . 5320 1 268 . 1 1 34 34 ASN ND2 N 15 112.8 0.1 . 1 . . . . . . . . 5320 1 269 . 1 1 35 35 VAL H H 1 7.27 0.01 . 1 . . . . . . . . 5320 1 270 . 1 1 35 35 VAL HA H 1 4.52 0.01 . 1 . . . . . . . . 5320 1 271 . 1 1 35 35 VAL HB H 1 2.29 0.01 . 1 . . . . . . . . 5320 1 272 . 1 1 35 35 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 5320 1 273 . 1 1 35 35 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 5320 1 274 . 1 1 35 35 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 5320 1 275 . 1 1 35 35 VAL HG21 H 1 1.00 0.01 . 1 . . . . . . . . 5320 1 276 . 1 1 35 35 VAL HG22 H 1 1.00 0.01 . 1 . . . . . . . . 5320 1 277 . 1 1 35 35 VAL HG23 H 1 1.00 0.01 . 1 . . . . . . . . 5320 1 278 . 1 1 35 35 VAL N N 15 112.3 0.1 . 1 . . . . . . . . 5320 1 279 . 1 1 36 36 THR H H 1 7.48 0.01 . 1 . . . . . . . . 5320 1 280 . 1 1 36 36 THR HA H 1 4.23 0.01 . 1 . . . . . . . . 5320 1 281 . 1 1 36 36 THR HB H 1 4.04 0.01 . 1 . . . . . . . . 5320 1 282 . 1 1 36 36 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 5320 1 283 . 1 1 36 36 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 5320 1 284 . 1 1 36 36 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 5320 1 285 . 1 1 36 36 THR N N 15 117.8 0.1 . 1 . . . . . . . . 5320 1 286 . 1 1 38 38 PRO HA H 1 4.11 0.01 . 1 . . . . . . . . 5320 1 287 . 1 1 38 38 PRO HB2 H 1 2.05 0.01 . 1 . . . . . . . . 5320 1 288 . 1 1 38 38 PRO HB3 H 1 2.33 0.01 . 1 . . . . . . . . 5320 1 289 . 1 1 38 38 PRO HG2 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 290 . 1 1 38 38 PRO HG3 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 291 . 1 1 38 38 PRO HD2 H 1 3.40 0.01 . 2 . . . . . . . . 5320 1 292 . 1 1 38 38 PRO HD3 H 1 3.32 0.01 . 2 . . . . . . . . 5320 1 293 . 1 1 39 39 THR H H 1 8.56 0.01 . 1 . . . . . . . . 5320 1 294 . 1 1 39 39 THR HA H 1 5.33 0.01 . 1 . . . . . . . . 5320 1 295 . 1 1 39 39 THR HB H 1 4.05 0.01 . 1 . . . . . . . . 5320 1 296 . 1 1 39 39 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 5320 1 297 . 1 1 39 39 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 5320 1 298 . 1 1 39 39 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 5320 1 299 . 1 1 39 39 THR N N 15 117.6 0.1 . 1 . . . . . . . . 5320 1 300 . 1 1 40 40 VAL H H 1 9.78 0.01 . 1 . . . . . . . . 5320 1 301 . 1 1 40 40 VAL HA H 1 5.15 0.01 . 1 . . . . . . . . 5320 1 302 . 1 1 40 40 VAL HB H 1 1.71 0.01 . 1 . . . . . . . . 5320 1 303 . 1 1 40 40 VAL HG11 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 304 . 1 1 40 40 VAL HG12 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 305 . 1 1 40 40 VAL HG13 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 306 . 1 1 40 40 VAL HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 307 . 1 1 40 40 VAL HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 308 . 1 1 40 40 VAL HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 309 . 1 1 40 40 VAL N N 15 128.7 0.1 . 1 . . . . . . . . 5320 1 310 . 1 1 41 41 ILE H H 1 9.82 0.01 . 1 . . . . . . . . 5320 1 311 . 1 1 41 41 ILE HA H 1 5.11 0.01 . 1 . . . . . . . . 5320 1 312 . 1 1 41 41 ILE HB H 1 1.70 0.01 . 1 . . . . . . . . 5320 1 313 . 1 1 41 41 ILE HG12 H 1 1.27 0.01 . 9 . . . . . . . . 5320 1 314 . 1 1 41 41 ILE HG13 H 1 1.57 0.01 . 1 . . . . . . . . 5320 1 315 . 1 1 41 41 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 316 . 1 1 41 41 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 317 . 1 1 41 41 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 318 . 1 1 41 41 ILE HD11 H 1 0.86 0.01 . 9 . . . . . . . . 5320 1 319 . 1 1 41 41 ILE HD12 H 1 0.86 0.01 . 9 . . . . . . . . 5320 1 320 . 1 1 41 41 ILE HD13 H 1 0.86 0.01 . 9 . . . . . . . . 5320 1 321 . 1 1 41 41 ILE N N 15 128.2 0.1 . 1 . . . . . . . . 5320 1 322 . 1 1 42 42 ILE H H 1 8.37 0.01 . 1 . . . . . . . . 5320 1 323 . 1 1 42 42 ILE HA H 1 5.31 0.01 . 1 . . . . . . . . 5320 1 324 . 1 1 42 42 ILE HB H 1 2.59 0.01 . 1 . . . . . . . . 5320 1 325 . 1 1 42 42 ILE HG12 H 1 1.07 0.01 . 1 . . . . . . . . 5320 1 326 . 1 1 42 42 ILE HG13 H 1 1.07 0.01 . 1 . . . . . . . . 5320 1 327 . 1 1 42 42 ILE HG21 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 328 . 1 1 42 42 ILE HG22 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 329 . 1 1 42 42 ILE HG23 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 330 . 1 1 42 42 ILE HD11 H 1 1.07 0.01 . 9 . . . . . . . . 5320 1 331 . 1 1 42 42 ILE HD12 H 1 1.07 0.01 . 9 . . . . . . . . 5320 1 332 . 1 1 42 42 ILE HD13 H 1 1.07 0.01 . 9 . . . . . . . . 5320 1 333 . 1 1 42 42 ILE N N 15 130.2 0.1 . 1 . . . . . . . . 5320 1 334 . 1 1 43 43 SER H H 1 9.26 0.01 . 1 . . . . . . . . 5320 1 335 . 1 1 43 43 SER HA H 1 4.79 0.01 . 1 . . . . . . . . 5320 1 336 . 1 1 43 43 SER HB2 H 1 3.79 0.01 . 1 . . . . . . . . 5320 1 337 . 1 1 43 43 SER HB3 H 1 3.65 0.01 . 1 . . . . . . . . 5320 1 338 . 1 1 43 43 SER N N 15 121.9 0.1 . 1 . . . . . . . . 5320 1 339 . 1 1 44 44 GLN H H 1 8.50 0.01 . 1 . . . . . . . . 5320 1 340 . 1 1 44 44 GLN HA H 1 4.96 0.01 . 1 . . . . . . . . 5320 1 341 . 1 1 44 44 GLN HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 342 . 1 1 44 44 GLN HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5320 1 343 . 1 1 44 44 GLN HG2 H 1 2.11 0.01 . 1 . . . . . . . . 5320 1 344 . 1 1 44 44 GLN HG3 H 1 2.28 0.01 . 1 . . . . . . . . 5320 1 345 . 1 1 44 44 GLN HE21 H 1 6.75 0.01 . 1 . . . . . . . . 5320 1 346 . 1 1 44 44 GLN HE22 H 1 7.33 0.01 . 1 . . . . . . . . 5320 1 347 . 1 1 44 44 GLN N N 15 118.0 0.1 . 1 . . . . . . . . 5320 1 348 . 1 1 44 44 GLN NE2 N 15 110.5 0.1 . 1 . . . . . . . . 5320 1 349 . 1 1 45 45 GLU H H 1 8.52 0.01 . 1 . . . . . . . . 5320 1 350 . 1 1 45 45 GLU HA H 1 4.48 0.01 . 1 . . . . . . . . 5320 1 351 . 1 1 45 45 GLU HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5320 1 352 . 1 1 45 45 GLU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 5320 1 353 . 1 1 45 45 GLU HG2 H 1 2.03 0.01 . 1 . . . . . . . . 5320 1 354 . 1 1 45 45 GLU HG3 H 1 2.03 0.01 . 1 . . . . . . . . 5320 1 355 . 1 1 45 45 GLU N N 15 125.7 0.1 . 1 . . . . . . . . 5320 1 356 . 1 1 46 46 GLY H H 1 8.97 0.01 . 1 . . . . . . . . 5320 1 357 . 1 1 46 46 GLY HA2 H 1 3.62 0.01 . 1 . . . . . . . . 5320 1 358 . 1 1 46 46 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . 5320 1 359 . 1 1 46 46 GLY N N 15 117.2 0.1 . 1 . . . . . . . . 5320 1 360 . 1 1 47 47 ASP H H 1 8.75 0.01 . 1 . . . . . . . . 5320 1 361 . 1 1 47 47 ASP HA H 1 4.59 0.01 . 1 . . . . . . . . 5320 1 362 . 1 1 47 47 ASP HB2 H 1 2.72 0.01 . 1 . . . . . . . . 5320 1 363 . 1 1 47 47 ASP HB3 H 1 2.72 0.01 . 1 . . . . . . . . 5320 1 364 . 1 1 47 47 ASP N N 15 126.7 0.1 . 1 . . . . . . . . 5320 1 365 . 1 1 48 48 LYS H H 1 7.79 0.01 . 1 . . . . . . . . 5320 1 366 . 1 1 48 48 LYS HA H 1 4.54 0.01 . 1 . . . . . . . . 5320 1 367 . 1 1 48 48 LYS HB2 H 1 1.65 0.01 . 1 . . . . . . . . 5320 1 368 . 1 1 48 48 LYS HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5320 1 369 . 1 1 48 48 LYS HG2 H 1 1.45 0.01 . 1 . . . . . . . . 5320 1 370 . 1 1 48 48 LYS HG3 H 1 1.09 0.01 . 1 . . . . . . . . 5320 1 371 . 1 1 48 48 LYS HD2 H 1 1.39 0.01 . 1 . . . . . . . . 5320 1 372 . 1 1 48 48 LYS HD3 H 1 1.33 0.01 . 1 . . . . . . . . 5320 1 373 . 1 1 48 48 LYS HE2 H 1 2.83 0.01 . 1 . . . . . . . . 5320 1 374 . 1 1 48 48 LYS HE3 H 1 2.83 0.01 . 1 . . . . . . . . 5320 1 375 . 1 1 48 48 LYS N N 15 118.6 0.1 . 1 . . . . . . . . 5320 1 376 . 1 1 49 49 VAL H H 1 8.59 0.01 . 1 . . . . . . . . 5320 1 377 . 1 1 49 49 VAL HA H 1 4.21 0.01 . 1 . . . . . . . . 5320 1 378 . 1 1 49 49 VAL HB H 1 0.86 0.01 . 1 . . . . . . . . 5320 1 379 . 1 1 49 49 VAL HG11 H 1 0.55 0.01 . 1 . . . . . . . . 5320 1 380 . 1 1 49 49 VAL HG12 H 1 0.55 0.01 . 1 . . . . . . . . 5320 1 381 . 1 1 49 49 VAL HG13 H 1 0.55 0.01 . 1 . . . . . . . . 5320 1 382 . 1 1 49 49 VAL HG21 H 1 0.67 0.01 . 1 . . . . . . . . 5320 1 383 . 1 1 49 49 VAL HG22 H 1 0.67 0.01 . 1 . . . . . . . . 5320 1 384 . 1 1 49 49 VAL HG23 H 1 0.67 0.01 . 1 . . . . . . . . 5320 1 385 . 1 1 49 49 VAL N N 15 125.2 0.1 . 1 . . . . . . . . 5320 1 386 . 1 1 50 50 VAL H H 1 8.59 0.01 . 1 . . . . . . . . 5320 1 387 . 1 1 50 50 VAL HA H 1 4.67 0.01 . 1 . . . . . . . . 5320 1 388 . 1 1 50 50 VAL HB H 1 1.82 0.01 . 1 . . . . . . . . 5320 1 389 . 1 1 50 50 VAL HG11 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 390 . 1 1 50 50 VAL HG12 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 391 . 1 1 50 50 VAL HG13 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 392 . 1 1 50 50 VAL HG21 H 1 0.58 0.01 . 1 . . . . . . . . 5320 1 393 . 1 1 50 50 VAL HG22 H 1 0.58 0.01 . 1 . . . . . . . . 5320 1 394 . 1 1 50 50 VAL HG23 H 1 0.58 0.01 . 1 . . . . . . . . 5320 1 395 . 1 1 50 50 VAL N N 15 125.0 0.1 . 1 . . . . . . . . 5320 1 396 . 1 1 51 51 ILE H H 1 8.64 0.01 . 1 . . . . . . . . 5320 1 397 . 1 1 51 51 ILE HA H 1 4.87 0.01 . 1 . . . . . . . . 5320 1 398 . 1 1 51 51 ILE HB H 1 1.81 0.01 . 1 . . . . . . . . 5320 1 399 . 1 1 51 51 ILE HG12 H 1 1.05 0.01 . 1 . . . . . . . . 5320 1 400 . 1 1 51 51 ILE HG13 H 1 1.05 0.01 . 1 . . . . . . . . 5320 1 401 . 1 1 51 51 ILE HG21 H 1 0.63 0.01 . 1 . . . . . . . . 5320 1 402 . 1 1 51 51 ILE HG22 H 1 0.63 0.01 . 1 . . . . . . . . 5320 1 403 . 1 1 51 51 ILE HG23 H 1 0.63 0.01 . 1 . . . . . . . . 5320 1 404 . 1 1 51 51 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5320 1 405 . 1 1 51 51 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5320 1 406 . 1 1 51 51 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5320 1 407 . 1 1 51 51 ILE N N 15 122.5 0.1 . 1 . . . . . . . . 5320 1 408 . 1 1 52 52 ARG H H 1 9.48 0.01 . 1 . . . . . . . . 5320 1 409 . 1 1 52 52 ARG HA H 1 5.16 0.01 . 1 . . . . . . . . 5320 1 410 . 1 1 52 52 ARG HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5320 1 411 . 1 1 52 52 ARG HB3 H 1 1.72 0.01 . 1 . . . . . . . . 5320 1 412 . 1 1 52 52 ARG HG2 H 1 1.74 0.01 . 1 . . . . . . . . 5320 1 413 . 1 1 52 52 ARG HG3 H 1 1.51 0.01 . 1 . . . . . . . . 5320 1 414 . 1 1 52 52 ARG HD2 H 1 3.13 0.01 . 1 . . . . . . . . 5320 1 415 . 1 1 52 52 ARG HD3 H 1 3.13 0.01 . 1 . . . . . . . . 5320 1 416 . 1 1 52 52 ARG HE H 1 7.29 0.01 . 1 . . . . . . . . 5320 1 417 . 1 1 52 52 ARG N N 15 132.4 0.1 . 1 . . . . . . . . 5320 1 418 . 1 1 52 52 ARG NE N 15 85.1 0.1 . 1 . . . . . . . . 5320 1 419 . 1 1 53 53 THR H H 1 9.01 0.01 . 1 . . . . . . . . 5320 1 420 . 1 1 53 53 THR HA H 1 5.08 0.01 . 1 . . . . . . . . 5320 1 421 . 1 1 53 53 THR HB H 1 4.34 0.01 . 1 . . . . . . . . 5320 1 422 . 1 1 53 53 THR HG21 H 1 1.11 0.01 . 1 . . . . . . . . 5320 1 423 . 1 1 53 53 THR HG22 H 1 1.11 0.01 . 1 . . . . . . . . 5320 1 424 . 1 1 53 53 THR HG23 H 1 1.11 0.01 . 1 . . . . . . . . 5320 1 425 . 1 1 53 53 THR N N 15 121.6 0.1 . 1 . . . . . . . . 5320 1 426 . 1 1 54 54 LEU H H 1 9.74 0.01 . 1 . . . . . . . . 5320 1 427 . 1 1 54 54 LEU HA H 1 5.33 0.01 . 1 . . . . . . . . 5320 1 428 . 1 1 54 54 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 5320 1 429 . 1 1 54 54 LEU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 5320 1 430 . 1 1 54 54 LEU HG H 1 1.54 0.01 . 1 . . . . . . . . 5320 1 431 . 1 1 54 54 LEU HD11 H 1 0.84 0.01 . 1 . . . . . . . . 5320 1 432 . 1 1 54 54 LEU HD12 H 1 0.84 0.01 . 1 . . . . . . . . 5320 1 433 . 1 1 54 54 LEU HD13 H 1 0.84 0.01 . 1 . . . . . . . . 5320 1 434 . 1 1 54 54 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 5320 1 435 . 1 1 54 54 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 5320 1 436 . 1 1 54 54 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 5320 1 437 . 1 1 54 54 LEU N N 15 127.5 0.1 . 1 . . . . . . . . 5320 1 438 . 1 1 55 55 SER H H 1 8.56 0.01 . 1 . . . . . . . . 5320 1 439 . 1 1 55 55 SER HA H 1 4.95 0.01 . 1 . . . . . . . . 5320 1 440 . 1 1 55 55 SER HB2 H 1 3.93 0.01 . 1 . . . . . . . . 5320 1 441 . 1 1 55 55 SER HB3 H 1 4.13 0.01 . 1 . . . . . . . . 5320 1 442 . 1 1 55 55 SER N N 15 115.6 0.1 . 1 . . . . . . . . 5320 1 443 . 1 1 56 56 THR HA H 1 4.08 0.01 . 1 . . . . . . . . 5320 1 444 . 1 1 56 56 THR HB H 1 4.30 0.01 . 1 . . . . . . . . 5320 1 445 . 1 1 56 56 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 5320 1 446 . 1 1 56 56 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 5320 1 447 . 1 1 56 56 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 5320 1 448 . 1 1 57 57 PHE H H 1 7.66 0.01 . 1 . . . . . . . . 5320 1 449 . 1 1 57 57 PHE HA H 1 4.65 0.01 . 1 . . . . . . . . 5320 1 450 . 1 1 57 57 PHE HB2 H 1 2.76 0.01 . 1 . . . . . . . . 5320 1 451 . 1 1 57 57 PHE HB3 H 1 3.15 0.01 . 1 . . . . . . . . 5320 1 452 . 1 1 57 57 PHE HD1 H 1 7.18 0.01 . 1 . . . . . . . . 5320 1 453 . 1 1 57 57 PHE HD2 H 1 7.18 0.01 . 1 . . . . . . . . 5320 1 454 . 1 1 57 57 PHE HE1 H 1 7.18 0.01 . 1 . . . . . . . . 5320 1 455 . 1 1 57 57 PHE HE2 H 1 7.18 0.01 . 1 . . . . . . . . 5320 1 456 . 1 1 57 57 PHE HZ H 1 6.88 0.01 . 9 . . . . . . . . 5320 1 457 . 1 1 57 57 PHE N N 15 120.4 0.1 . 1 . . . . . . . . 5320 1 458 . 1 1 58 58 LYS H H 1 6.88 0.01 . 1 . . . . . . . . 5320 1 459 . 1 1 58 58 LYS HA H 1 4.21 0.01 . 1 . . . . . . . . 5320 1 460 . 1 1 58 58 LYS HB2 H 1 1.30 0.01 . 1 . . . . . . . . 5320 1 461 . 1 1 58 58 LYS HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5320 1 462 . 1 1 58 58 LYS HG2 H 1 0.98 0.01 . 1 . . . . . . . . 5320 1 463 . 1 1 58 58 LYS HG3 H 1 0.79 0.01 . 1 . . . . . . . . 5320 1 464 . 1 1 58 58 LYS HD2 H 1 1.52 0.01 . 1 . . . . . . . . 5320 1 465 . 1 1 58 58 LYS HD3 H 1 1.52 0.01 . 1 . . . . . . . . 5320 1 466 . 1 1 58 58 LYS HE2 H 1 2.69 0.01 . 1 . . . . . . . . 5320 1 467 . 1 1 58 58 LYS HE3 H 1 2.69 0.01 . 1 . . . . . . . . 5320 1 468 . 1 1 58 58 LYS N N 15 115.6 0.1 . 1 . . . . . . . . 5320 1 469 . 1 1 59 59 ASN H H 1 8.61 0.01 . 1 . . . . . . . . 5320 1 470 . 1 1 59 59 ASN HA H 1 5.88 0.01 . 1 . . . . . . . . 5320 1 471 . 1 1 59 59 ASN HB2 H 1 2.67 0.01 . 1 . . . . . . . . 5320 1 472 . 1 1 59 59 ASN HB3 H 1 2.89 0.01 . 1 . . . . . . . . 5320 1 473 . 1 1 59 59 ASN HD21 H 1 7.40 0.01 . 1 . . . . . . . . 5320 1 474 . 1 1 59 59 ASN HD22 H 1 6.46 0.01 . 1 . . . . . . . . 5320 1 475 . 1 1 59 59 ASN N N 15 123.3 0.1 . 1 . . . . . . . . 5320 1 476 . 1 1 59 59 ASN ND2 N 15 110.9 0.1 . 1 . . . . . . . . 5320 1 477 . 1 1 60 60 THR H H 1 9.40 0.01 . 1 . . . . . . . . 5320 1 478 . 1 1 60 60 THR HA H 1 4.89 0.01 . 1 . . . . . . . . 5320 1 479 . 1 1 60 60 THR HB H 1 4.36 0.01 . 1 . . . . . . . . 5320 1 480 . 1 1 60 60 THR HG21 H 1 1.06 0.01 . 1 . . . . . . . . 5320 1 481 . 1 1 60 60 THR HG22 H 1 1.06 0.01 . 1 . . . . . . . . 5320 1 482 . 1 1 60 60 THR HG23 H 1 1.06 0.01 . 1 . . . . . . . . 5320 1 483 . 1 1 60 60 THR N N 15 112.3 0.1 . 1 . . . . . . . . 5320 1 484 . 1 1 61 61 GLU H H 1 8.68 0.01 . 1 . . . . . . . . 5320 1 485 . 1 1 61 61 GLU HA H 1 5.13 0.01 . 1 . . . . . . . . 5320 1 486 . 1 1 61 61 GLU HB2 H 1 1.91 0.01 . 1 . . . . . . . . 5320 1 487 . 1 1 61 61 GLU HB3 H 1 1.91 0.01 . 1 . . . . . . . . 5320 1 488 . 1 1 61 61 GLU HG2 H 1 2.05 0.01 . 1 . . . . . . . . 5320 1 489 . 1 1 61 61 GLU HG3 H 1 2.05 0.01 . 1 . . . . . . . . 5320 1 490 . 1 1 61 61 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 5320 1 491 . 1 1 62 62 ILE H H 1 8.38 0.01 . 1 . . . . . . . . 5320 1 492 . 1 1 62 62 ILE HA H 1 4.89 0.01 . 1 . . . . . . . . 5320 1 493 . 1 1 62 62 ILE HB H 1 1.88 0.01 . 1 . . . . . . . . 5320 1 494 . 1 1 62 62 ILE HG12 H 1 1.70 0.01 . 1 . . . . . . . . 5320 1 495 . 1 1 62 62 ILE HG13 H 1 1.70 0.01 . 1 . . . . . . . . 5320 1 496 . 1 1 62 62 ILE HG21 H 1 1.28 0.01 . 1 . . . . . . . . 5320 1 497 . 1 1 62 62 ILE HG22 H 1 1.28 0.01 . 1 . . . . . . . . 5320 1 498 . 1 1 62 62 ILE HG23 H 1 1.28 0.01 . 1 . . . . . . . . 5320 1 499 . 1 1 62 62 ILE HD11 H 1 0.94 0.01 . 1 . . . . . . . . 5320 1 500 . 1 1 62 62 ILE HD12 H 1 0.94 0.01 . 1 . . . . . . . . 5320 1 501 . 1 1 62 62 ILE HD13 H 1 0.94 0.01 . 1 . . . . . . . . 5320 1 502 . 1 1 62 62 ILE N N 15 119.0 0.1 . 1 . . . . . . . . 5320 1 503 . 1 1 63 63 SER H H 1 8.11 0.01 . 1 . . . . . . . . 5320 1 504 . 1 1 63 63 SER HA H 1 5.29 0.01 . 1 . . . . . . . . 5320 1 505 . 1 1 63 63 SER HB2 H 1 3.46 0.01 . 1 . . . . . . . . 5320 1 506 . 1 1 63 63 SER HB3 H 1 3.57 0.01 . 1 . . . . . . . . 5320 1 507 . 1 1 63 63 SER N N 15 115.4 0.1 . 1 . . . . . . . . 5320 1 508 . 1 1 64 64 PHE H H 1 8.07 0.01 . 1 . . . . . . . . 5320 1 509 . 1 1 64 64 PHE HA H 1 4.70 0.01 . 1 . . . . . . . . 5320 1 510 . 1 1 64 64 PHE HB2 H 1 2.76 0.01 . 1 . . . . . . . . 5320 1 511 . 1 1 64 64 PHE HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5320 1 512 . 1 1 64 64 PHE HD1 H 1 6.18 0.01 . 1 . . . . . . . . 5320 1 513 . 1 1 64 64 PHE HD2 H 1 6.18 0.01 . 1 . . . . . . . . 5320 1 514 . 1 1 64 64 PHE HE1 H 1 6.69 0.01 . 1 . . . . . . . . 5320 1 515 . 1 1 64 64 PHE HE2 H 1 6.69 0.01 . 1 . . . . . . . . 5320 1 516 . 1 1 64 64 PHE HZ H 1 6.69 0.01 . 1 . . . . . . . . 5320 1 517 . 1 1 64 64 PHE N N 15 119.6 0.1 . 1 . . . . . . . . 5320 1 518 . 1 1 65 65 GLN H H 1 8.86 0.01 . 1 . . . . . . . . 5320 1 519 . 1 1 65 65 GLN HA H 1 4.84 0.01 . 1 . . . . . . . . 5320 1 520 . 1 1 65 65 GLN HB2 H 1 1.89 0.01 . 1 . . . . . . . . 5320 1 521 . 1 1 65 65 GLN HB3 H 1 2.08 0.01 . 1 . . . . . . . . 5320 1 522 . 1 1 65 65 GLN HG2 H 1 2.39 0.01 . 1 . . . . . . . . 5320 1 523 . 1 1 65 65 GLN HG3 H 1 2.35 0.01 . 1 . . . . . . . . 5320 1 524 . 1 1 65 65 GLN HE21 H 1 7.54 0.01 . 1 . . . . . . . . 5320 1 525 . 1 1 65 65 GLN HE22 H 1 6.79 0.01 . 1 . . . . . . . . 5320 1 526 . 1 1 65 65 GLN N N 15 117.6 0.1 . 1 . . . . . . . . 5320 1 527 . 1 1 65 65 GLN NE2 N 15 111.7 0.1 . 1 . . . . . . . . 5320 1 528 . 1 1 66 66 LEU H H 1 9.21 0.01 . 1 . . . . . . . . 5320 1 529 . 1 1 66 66 LEU HA H 1 4.50 0.01 . 1 . . . . . . . . 5320 1 530 . 1 1 66 66 LEU HB2 H 1 1.64 0.01 . 1 . . . . . . . . 5320 1 531 . 1 1 66 66 LEU HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5320 1 532 . 1 1 66 66 LEU HG H 1 1.84 0.01 . 1 . . . . . . . . 5320 1 533 . 1 1 66 66 LEU HD11 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 534 . 1 1 66 66 LEU HD12 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 535 . 1 1 66 66 LEU HD13 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 536 . 1 1 66 66 LEU HD21 H 1 0.81 0.01 . 1 . . . . . . . . 5320 1 537 . 1 1 66 66 LEU HD22 H 1 0.81 0.01 . 1 . . . . . . . . 5320 1 538 . 1 1 66 66 LEU HD23 H 1 0.81 0.01 . 1 . . . . . . . . 5320 1 539 . 1 1 66 66 LEU N N 15 126.5 0.1 . 1 . . . . . . . . 5320 1 540 . 1 1 67 67 GLY H H 1 9.52 0.01 . 1 . . . . . . . . 5320 1 541 . 1 1 67 67 GLY HA2 H 1 3.49 0.01 . 1 . . . . . . . . 5320 1 542 . 1 1 67 67 GLY HA3 H 1 4.28 0.01 . 1 . . . . . . . . 5320 1 543 . 1 1 67 67 GLY N N 15 110.1 0.1 . 1 . . . . . . . . 5320 1 544 . 1 1 68 68 GLU H H 1 7.76 0.01 . 1 . . . . . . . . 5320 1 545 . 1 1 68 68 GLU HA H 1 4.76 0.01 . 1 . . . . . . . . 5320 1 546 . 1 1 68 68 GLU HB2 H 1 2.01 0.01 . 1 . . . . . . . . 5320 1 547 . 1 1 68 68 GLU HB3 H 1 2.01 0.01 . 1 . . . . . . . . 5320 1 548 . 1 1 68 68 GLU HG2 H 1 2.26 0.01 . 1 . . . . . . . . 5320 1 549 . 1 1 68 68 GLU HG3 H 1 2.26 0.01 . 1 . . . . . . . . 5320 1 550 . 1 1 68 68 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 5320 1 551 . 1 1 69 69 GLU H H 1 8.97 0.01 . 1 . . . . . . . . 5320 1 552 . 1 1 69 69 GLU HA H 1 5.04 0.01 . 1 . . . . . . . . 5320 1 553 . 1 1 69 69 GLU HB2 H 1 1.97 0.01 . 1 . . . . . . . . 5320 1 554 . 1 1 69 69 GLU HB3 H 1 1.97 0.01 . 1 . . . . . . . . 5320 1 555 . 1 1 69 69 GLU HG2 H 1 2.12 0.01 . 1 . . . . . . . . 5320 1 556 . 1 1 69 69 GLU HG3 H 1 2.12 0.01 . 1 . . . . . . . . 5320 1 557 . 1 1 69 69 GLU N N 15 130.7 0.1 . 1 . . . . . . . . 5320 1 558 . 1 1 70 70 PHE H H 1 9.45 0.01 . 1 . . . . . . . . 5320 1 559 . 1 1 70 70 PHE HA H 1 5.21 0.01 . 1 . . . . . . . . 5320 1 560 . 1 1 70 70 PHE HB2 H 1 3.27 0.01 . 1 . . . . . . . . 5320 1 561 . 1 1 70 70 PHE HB3 H 1 3.31 0.01 . 1 . . . . . . . . 5320 1 562 . 1 1 70 70 PHE HD1 H 1 7.42 0.01 . 1 . . . . . . . . 5320 1 563 . 1 1 70 70 PHE HD2 H 1 7.42 0.01 . 1 . . . . . . . . 5320 1 564 . 1 1 70 70 PHE HE1 H 1 6.87 0.01 . 1 . . . . . . . . 5320 1 565 . 1 1 70 70 PHE HE2 H 1 6.87 0.01 . 1 . . . . . . . . 5320 1 566 . 1 1 70 70 PHE HZ H 1 6.30 0.01 . 1 . . . . . . . . 5320 1 567 . 1 1 70 70 PHE N N 15 123.6 0.1 . 1 . . . . . . . . 5320 1 568 . 1 1 71 71 ASP H H 1 8.51 0.01 . 1 . . . . . . . . 5320 1 569 . 1 1 71 71 ASP HA H 1 5.21 0.01 . 1 . . . . . . . . 5320 1 570 . 1 1 71 71 ASP HB2 H 1 2.64 0.01 . 1 . . . . . . . . 5320 1 571 . 1 1 71 71 ASP HB3 H 1 2.74 0.01 . 1 . . . . . . . . 5320 1 572 . 1 1 71 71 ASP N N 15 119.9 0.1 . 1 . . . . . . . . 5320 1 573 . 1 1 72 72 GLU H H 1 8.71 0.01 . 1 . . . . . . . . 5320 1 574 . 1 1 72 72 GLU HA H 1 4.78 0.01 . 1 . . . . . . . . 5320 1 575 . 1 1 72 72 GLU HB2 H 1 1.82 0.01 . 1 . . . . . . . . 5320 1 576 . 1 1 72 72 GLU HB3 H 1 1.82 0.01 . 1 . . . . . . . . 5320 1 577 . 1 1 72 72 GLU HG2 H 1 2.32 0.01 . 1 . . . . . . . . 5320 1 578 . 1 1 72 72 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 5320 1 579 . 1 1 72 72 GLU N N 15 125.8 0.1 . 1 . . . . . . . . 5320 1 580 . 1 1 73 73 THR H H 1 9.02 0.01 . 1 . . . . . . . . 5320 1 581 . 1 1 73 73 THR HA H 1 5.43 0.01 . 1 . . . . . . . . 5320 1 582 . 1 1 73 73 THR HB H 1 4.02 0.01 . 1 . . . . . . . . 5320 1 583 . 1 1 73 73 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 584 . 1 1 73 73 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 585 . 1 1 73 73 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 586 . 1 1 73 73 THR N N 15 125.8 0.1 . 1 . . . . . . . . 5320 1 587 . 1 1 74 74 THR H H 1 8.87 0.01 . 1 . . . . . . . . 5320 1 588 . 1 1 74 74 THR HA H 1 4.42 0.01 . 1 . . . . . . . . 5320 1 589 . 1 1 74 74 THR HB H 1 4.34 0.01 . 1 . . . . . . . . 5320 1 590 . 1 1 74 74 THR HG1 H 1 6.04 0.01 . 1 . . . . . . . . 5320 1 591 . 1 1 74 74 THR HG21 H 1 0.99 0.01 . 1 . . . . . . . . 5320 1 592 . 1 1 74 74 THR HG22 H 1 0.99 0.01 . 1 . . . . . . . . 5320 1 593 . 1 1 74 74 THR HG23 H 1 0.99 0.01 . 1 . . . . . . . . 5320 1 594 . 1 1 74 74 THR N N 15 118.8 0.1 . 1 . . . . . . . . 5320 1 595 . 1 1 75 75 ALA H H 1 9.49 0.01 . 1 . . . . . . . . 5320 1 596 . 1 1 75 75 ALA HA H 1 3.92 0.01 . 1 . . . . . . . . 5320 1 597 . 1 1 75 75 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 5320 1 598 . 1 1 75 75 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5320 1 599 . 1 1 75 75 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5320 1 600 . 1 1 75 75 ALA N N 15 122.5 0.1 . 1 . . . . . . . . 5320 1 601 . 1 1 76 76 ASP H H 1 9.07 0.01 . 1 . . . . . . . . 5320 1 602 . 1 1 76 76 ASP HA H 1 4.55 0.01 . 1 . . . . . . . . 5320 1 603 . 1 1 76 76 ASP HB2 H 1 2.84 0.01 . 1 . . . . . . . . 5320 1 604 . 1 1 76 76 ASP HB3 H 1 2.13 0.01 . 1 . . . . . . . . 5320 1 605 . 1 1 76 76 ASP N N 15 110.2 0.1 . 1 . . . . . . . . 5320 1 606 . 1 1 77 77 ASP H H 1 7.98 0.01 . 1 . . . . . . . . 5320 1 607 . 1 1 77 77 ASP HA H 1 4.00 0.01 . 1 . . . . . . . . 5320 1 608 . 1 1 77 77 ASP HB2 H 1 2.71 0.01 . 1 . . . . . . . . 5320 1 609 . 1 1 77 77 ASP HB3 H 1 2.84 0.01 . 1 . . . . . . . . 5320 1 610 . 1 1 77 77 ASP N N 15 115.1 0.1 . 1 . . . . . . . . 5320 1 611 . 1 1 78 78 ARG H H 1 7.39 0.01 . 1 . . . . . . . . 5320 1 612 . 1 1 78 78 ARG HA H 1 4.20 0.01 . 1 . . . . . . . . 5320 1 613 . 1 1 78 78 ARG HB2 H 1 1.27 0.01 . 1 . . . . . . . . 5320 1 614 . 1 1 78 78 ARG HB3 H 1 0.58 0.01 . 1 . . . . . . . . 5320 1 615 . 1 1 78 78 ARG HG2 H 1 1.03 0.01 . 1 . . . . . . . . 5320 1 616 . 1 1 78 78 ARG HG3 H 1 0.81 0.01 . 1 . . . . . . . . 5320 1 617 . 1 1 78 78 ARG HD2 H 1 2.42 0.01 . 1 . . . . . . . . 5320 1 618 . 1 1 78 78 ARG HD3 H 1 0.31 0.01 . 1 . . . . . . . . 5320 1 619 . 1 1 78 78 ARG HE H 1 9.53 0.01 . 1 . . . . . . . . 5320 1 620 . 1 1 78 78 ARG HH21 H 1 6.15 0.01 . 1 . . . . . . . . 5320 1 621 . 1 1 78 78 ARG HH22 H 1 6.15 0.01 . 1 . . . . . . . . 5320 1 622 . 1 1 78 78 ARG N N 15 116.5 0.1 . 1 . . . . . . . . 5320 1 623 . 1 1 78 78 ARG NE N 15 89.4 0.1 . 1 . . . . . . . . 5320 1 624 . 1 1 78 78 ARG NH2 N 15 72.8 0.1 . 1 . . . . . . . . 5320 1 625 . 1 1 79 79 ASN H H 1 8.71 0.01 . 1 . . . . . . . . 5320 1 626 . 1 1 79 79 ASN HA H 1 5.22 0.01 . 1 . . . . . . . . 5320 1 627 . 1 1 79 79 ASN HB2 H 1 2.77 0.01 . 1 . . . . . . . . 5320 1 628 . 1 1 79 79 ASN HB3 H 1 2.77 0.01 . 1 . . . . . . . . 5320 1 629 . 1 1 79 79 ASN HD21 H 1 7.53 0.01 . 1 . . . . . . . . 5320 1 630 . 1 1 79 79 ASN HD22 H 1 6.92 0.01 . 1 . . . . . . . . 5320 1 631 . 1 1 79 79 ASN N N 15 122.1 0.1 . 1 . . . . . . . . 5320 1 632 . 1 1 79 79 ASN ND2 N 15 113.4 0.1 . 1 . . . . . . . . 5320 1 633 . 1 1 80 80 CYS H H 1 9.19 0.01 . 1 . . . . . . . . 5320 1 634 . 1 1 80 80 CYS HA H 1 5.25 0.01 . 1 . . . . . . . . 5320 1 635 . 1 1 80 80 CYS HB2 H 1 2.84 0.01 . 1 . . . . . . . . 5320 1 636 . 1 1 80 80 CYS HB3 H 1 2.61 0.01 . 1 . . . . . . . . 5320 1 637 . 1 1 80 80 CYS N N 15 120.8 0.1 . 1 . . . . . . . . 5320 1 638 . 1 1 81 81 LYS H H 1 9.05 0.01 . 1 . . . . . . . . 5320 1 639 . 1 1 81 81 LYS HA H 1 4.92 0.01 . 1 . . . . . . . . 5320 1 640 . 1 1 81 81 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5320 1 641 . 1 1 81 81 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 5320 1 642 . 1 1 81 81 LYS HG2 H 1 1.50 0.01 . 2 . . . . . . . . 5320 1 643 . 1 1 81 81 LYS HG3 H 1 1.41 0.01 . 2 . . . . . . . . 5320 1 644 . 1 1 81 81 LYS HD2 H 1 1.61 0.01 . 1 . . . . . . . . 5320 1 645 . 1 1 81 81 LYS HD3 H 1 1.61 0.01 . 1 . . . . . . . . 5320 1 646 . 1 1 81 81 LYS HE2 H 1 2.93 0.01 . 1 . . . . . . . . 5320 1 647 . 1 1 81 81 LYS HE3 H 1 2.93 0.01 . 1 . . . . . . . . 5320 1 648 . 1 1 81 81 LYS N N 15 123.3 0.1 . 1 . . . . . . . . 5320 1 649 . 1 1 82 82 SER H H 1 9.05 0.01 . 1 . . . . . . . . 5320 1 650 . 1 1 82 82 SER HA H 1 5.80 0.01 . 1 . . . . . . . . 5320 1 651 . 1 1 82 82 SER HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5320 1 652 . 1 1 82 82 SER HB3 H 1 3.20 0.01 . 1 . . . . . . . . 5320 1 653 . 1 1 82 82 SER HG H 1 5.89 0.01 . 1 . . . . . . . . 5320 1 654 . 1 1 82 82 SER N N 15 124.5 0.1 . 1 . . . . . . . . 5320 1 655 . 1 1 83 83 VAL H H 1 8.22 0.01 . 1 . . . . . . . . 5320 1 656 . 1 1 83 83 VAL HA H 1 4.15 0.01 . 1 . . . . . . . . 5320 1 657 . 1 1 83 83 VAL HB H 1 1.88 0.01 . 1 . . . . . . . . 5320 1 658 . 1 1 83 83 VAL HG11 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 659 . 1 1 83 83 VAL HG12 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 660 . 1 1 83 83 VAL HG13 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 661 . 1 1 83 83 VAL HG21 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 662 . 1 1 83 83 VAL HG22 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 663 . 1 1 83 83 VAL HG23 H 1 0.80 0.01 . 1 . . . . . . . . 5320 1 664 . 1 1 83 83 VAL N N 15 117.3 0.1 . 1 . . . . . . . . 5320 1 665 . 1 1 84 84 VAL H H 1 9.77 0.01 . 1 . . . . . . . . 5320 1 666 . 1 1 84 84 VAL HA H 1 5.26 0.01 . 1 . . . . . . . . 5320 1 667 . 1 1 84 84 VAL HB H 1 1.02 0.01 . 1 . . . . . . . . 5320 1 668 . 1 1 84 84 VAL HG11 H 1 0.46 0.01 . 1 . . . . . . . . 5320 1 669 . 1 1 84 84 VAL HG12 H 1 0.46 0.01 . 1 . . . . . . . . 5320 1 670 . 1 1 84 84 VAL HG13 H 1 0.46 0.01 . 1 . . . . . . . . 5320 1 671 . 1 1 84 84 VAL HG21 H 1 -0.38 0.01 . 1 . . . . . . . . 5320 1 672 . 1 1 84 84 VAL HG22 H 1 -0.38 0.01 . 1 . . . . . . . . 5320 1 673 . 1 1 84 84 VAL HG23 H 1 -0.38 0.01 . 1 . . . . . . . . 5320 1 674 . 1 1 84 84 VAL N N 15 130.8 0.1 . 1 . . . . . . . . 5320 1 675 . 1 1 85 85 SER H H 1 9.16 0.01 . 1 . . . . . . . . 5320 1 676 . 1 1 85 85 SER HA H 1 4.79 0.01 . 1 . . . . . . . . 5320 1 677 . 1 1 85 85 SER HB2 H 1 3.70 0.01 . 1 . . . . . . . . 5320 1 678 . 1 1 85 85 SER HB3 H 1 3.70 0.01 . 1 . . . . . . . . 5320 1 679 . 1 1 85 85 SER N N 15 120.6 0.1 . 1 . . . . . . . . 5320 1 680 . 1 1 86 86 LEU H H 1 8.79 0.01 . 1 . . . . . . . . 5320 1 681 . 1 1 86 86 LEU HA H 1 5.11 0.01 . 1 . . . . . . . . 5320 1 682 . 1 1 86 86 LEU HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5320 1 683 . 1 1 86 86 LEU HB3 H 1 1.74 0.01 . 1 . . . . . . . . 5320 1 684 . 1 1 86 86 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 5320 1 685 . 1 1 86 86 LEU HD11 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 686 . 1 1 86 86 LEU HD12 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 687 . 1 1 86 86 LEU HD13 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 688 . 1 1 86 86 LEU HD21 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 689 . 1 1 86 86 LEU HD22 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 690 . 1 1 86 86 LEU HD23 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 691 . 1 1 86 86 LEU N N 15 122.5 0.1 . 1 . . . . . . . . 5320 1 692 . 1 1 87 87 ASP H H 1 9.03 0.01 . 1 . . . . . . . . 5320 1 693 . 1 1 87 87 ASP HA H 1 4.82 0.01 . 1 . . . . . . . . 5320 1 694 . 1 1 87 87 ASP HB2 H 1 2.42 0.01 . 1 . . . . . . . . 5320 1 695 . 1 1 87 87 ASP HB3 H 1 2.65 0.01 . 1 . . . . . . . . 5320 1 696 . 1 1 87 87 ASP N N 15 126.8 0.1 . 1 . . . . . . . . 5320 1 697 . 1 1 88 88 GLY H H 1 8.79 0.01 . 1 . . . . . . . . 5320 1 698 . 1 1 88 88 GLY HA2 H 1 3.62 0.01 . 1 . . . . . . . . 5320 1 699 . 1 1 88 88 GLY HA3 H 1 4.05 0.01 . 1 . . . . . . . . 5320 1 700 . 1 1 88 88 GLY N N 15 114.9 0.1 . 1 . . . . . . . . 5320 1 701 . 1 1 89 89 ASP H H 1 8.66 0.01 . 1 . . . . . . . . 5320 1 702 . 1 1 89 89 ASP HA H 1 4.79 0.01 . 1 . . . . . . . . 5320 1 703 . 1 1 89 89 ASP HB2 H 1 2.84 0.01 . 1 . . . . . . . . 5320 1 704 . 1 1 89 89 ASP HB3 H 1 2.84 0.01 . 1 . . . . . . . . 5320 1 705 . 1 1 89 89 ASP N N 15 126.0 0.1 . 1 . . . . . . . . 5320 1 706 . 1 1 90 90 LYS H H 1 7.91 0.01 . 1 . . . . . . . . 5320 1 707 . 1 1 90 90 LYS HA H 1 4.97 0.01 . 1 . . . . . . . . 5320 1 708 . 1 1 90 90 LYS HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 709 . 1 1 90 90 LYS HB3 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 710 . 1 1 90 90 LYS HG2 H 1 1.37 0.01 . 1 . . . . . . . . 5320 1 711 . 1 1 90 90 LYS HG3 H 1 1.37 0.01 . 1 . . . . . . . . 5320 1 712 . 1 1 90 90 LYS HD2 H 1 1.61 0.01 . 1 . . . . . . . . 5320 1 713 . 1 1 90 90 LYS HD3 H 1 1.61 0.01 . 1 . . . . . . . . 5320 1 714 . 1 1 90 90 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 5320 1 715 . 1 1 90 90 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 5320 1 716 . 1 1 90 90 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 5320 1 717 . 1 1 91 91 LEU H H 1 8.49 0.01 . 1 . . . . . . . . 5320 1 718 . 1 1 91 91 LEU HA H 1 4.90 0.01 . 1 . . . . . . . . 5320 1 719 . 1 1 91 91 LEU HB2 H 1 1.09 0.01 . 1 . . . . . . . . 5320 1 720 . 1 1 91 91 LEU HB3 H 1 0.65 0.01 . 1 . . . . . . . . 5320 1 721 . 1 1 91 91 LEU HG H 1 0.93 0.01 . 1 . . . . . . . . 5320 1 722 . 1 1 91 91 LEU HD11 H 1 0.39 0.01 . 1 . . . . . . . . 5320 1 723 . 1 1 91 91 LEU HD12 H 1 0.39 0.01 . 1 . . . . . . . . 5320 1 724 . 1 1 91 91 LEU HD13 H 1 0.39 0.01 . 1 . . . . . . . . 5320 1 725 . 1 1 91 91 LEU HD21 H 1 0.27 0.01 . 1 . . . . . . . . 5320 1 726 . 1 1 91 91 LEU HD22 H 1 0.27 0.01 . 1 . . . . . . . . 5320 1 727 . 1 1 91 91 LEU HD23 H 1 0.27 0.01 . 1 . . . . . . . . 5320 1 728 . 1 1 91 91 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 5320 1 729 . 1 1 92 92 VAL H H 1 9.64 0.01 . 1 . . . . . . . . 5320 1 730 . 1 1 92 92 VAL HA H 1 4.61 0.01 . 1 . . . . . . . . 5320 1 731 . 1 1 92 92 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 5320 1 732 . 1 1 92 92 VAL HG11 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 733 . 1 1 92 92 VAL HG12 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 734 . 1 1 92 92 VAL HG13 H 1 0.88 0.01 . 1 . . . . . . . . 5320 1 735 . 1 1 92 92 VAL HG21 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 736 . 1 1 92 92 VAL HG22 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 737 . 1 1 92 92 VAL HG23 H 1 0.97 0.01 . 1 . . . . . . . . 5320 1 738 . 1 1 92 92 VAL N N 15 131.0 0.1 . 1 . . . . . . . . 5320 1 739 . 1 1 93 93 HIS H H 1 9.14 0.01 . 1 . . . . . . . . 5320 1 740 . 1 1 93 93 HIS HA H 1 5.49 0.01 . 1 . . . . . . . . 5320 1 741 . 1 1 93 93 HIS HB2 H 1 2.82 0.01 . 1 . . . . . . . . 5320 1 742 . 1 1 93 93 HIS HB3 H 1 3.46 0.01 . 1 . . . . . . . . 5320 1 743 . 1 1 93 93 HIS HD2 H 1 6.42 0.01 . 1 . . . . . . . . 5320 1 744 . 1 1 93 93 HIS HE1 H 1 7.74 0.01 . 1 . . . . . . . . 5320 1 745 . 1 1 93 93 HIS HE2 H 1 11.93 0.01 . 1 . . . . . . . . 5320 1 746 . 1 1 93 93 HIS N N 15 131.1 0.1 . 1 . . . . . . . . 5320 1 747 . 1 1 93 93 HIS NE2 N 15 163.2 0.1 . 1 . . . . . . . . 5320 1 748 . 1 1 94 94 ILE H H 1 9.27 0.01 . 1 . . . . . . . . 5320 1 749 . 1 1 94 94 ILE HA H 1 4.55 0.01 . 1 . . . . . . . . 5320 1 750 . 1 1 94 94 ILE HB H 1 1.75 0.01 . 1 . . . . . . . . 5320 1 751 . 1 1 94 94 ILE HG12 H 1 1.54 0.01 . 1 . . . . . . . . 5320 1 752 . 1 1 94 94 ILE HG13 H 1 1.02 0.01 . 1 . . . . . . . . 5320 1 753 . 1 1 94 94 ILE HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5320 1 754 . 1 1 94 94 ILE HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5320 1 755 . 1 1 94 94 ILE HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5320 1 756 . 1 1 94 94 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 5320 1 757 . 1 1 94 94 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 5320 1 758 . 1 1 94 94 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 5320 1 759 . 1 1 94 94 ILE N N 15 126.6 0.1 . 1 . . . . . . . . 5320 1 760 . 1 1 95 95 GLN H H 1 8.53 0.01 . 1 . . . . . . . . 5320 1 761 . 1 1 95 95 GLN HA H 1 5.01 0.01 . 1 . . . . . . . . 5320 1 762 . 1 1 95 95 GLN HB2 H 1 1.76 0.01 . 1 . . . . . . . . 5320 1 763 . 1 1 95 95 GLN HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5320 1 764 . 1 1 95 95 GLN HG2 H 1 2.17 0.01 . 1 . . . . . . . . 5320 1 765 . 1 1 95 95 GLN HG3 H 1 2.17 0.01 . 1 . . . . . . . . 5320 1 766 . 1 1 95 95 GLN HE21 H 1 6.98 0.01 . 1 . . . . . . . . 5320 1 767 . 1 1 95 95 GLN HE22 H 1 6.28 0.01 . 1 . . . . . . . . 5320 1 768 . 1 1 95 95 GLN N N 15 126.2 0.1 . 1 . . . . . . . . 5320 1 769 . 1 1 95 95 GLN NE2 N 15 112.9 0.1 . 1 . . . . . . . . 5320 1 770 . 1 1 96 96 LYS H H 1 8.70 0.01 . 1 . . . . . . . . 5320 1 771 . 1 1 96 96 LYS HA H 1 5.61 0.01 . 1 . . . . . . . . 5320 1 772 . 1 1 96 96 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 5320 1 773 . 1 1 96 96 LYS HB3 H 1 1.94 0.01 . 1 . . . . . . . . 5320 1 774 . 1 1 96 96 LYS HG2 H 1 1.39 0.01 . 1 . . . . . . . . 5320 1 775 . 1 1 96 96 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 5320 1 776 . 1 1 96 96 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 5320 1 777 . 1 1 96 96 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 5320 1 778 . 1 1 96 96 LYS HE2 H 1 2.83 0.01 . 1 . . . . . . . . 5320 1 779 . 1 1 96 96 LYS HE3 H 1 2.83 0.01 . 1 . . . . . . . . 5320 1 780 . 1 1 96 96 LYS N N 15 121.2 0.1 . 1 . . . . . . . . 5320 1 781 . 1 1 97 97 TRP H H 1 8.36 0.01 . 1 . . . . . . . . 5320 1 782 . 1 1 97 97 TRP HA H 1 4.90 0.01 . 1 . . . . . . . . 5320 1 783 . 1 1 97 97 TRP HB2 H 1 3.14 0.01 . 1 . . . . . . . . 5320 1 784 . 1 1 97 97 TRP HB3 H 1 3.79 0.01 . 1 . . . . . . . . 5320 1 785 . 1 1 97 97 TRP HD1 H 1 7.14 0.01 . 1 . . . . . . . . 5320 1 786 . 1 1 97 97 TRP HE1 H 1 10.16 0.01 . 1 . . . . . . . . 5320 1 787 . 1 1 97 97 TRP HE3 H 1 7.23 0.01 . 1 . . . . . . . . 5320 1 788 . 1 1 97 97 TRP HZ2 H 1 7.14 0.01 . 1 . . . . . . . . 5320 1 789 . 1 1 97 97 TRP HZ3 H 1 6.90 0.01 . 1 . . . . . . . . 5320 1 790 . 1 1 97 97 TRP HH2 H 1 6.49 0.01 . 1 . . . . . . . . 5320 1 791 . 1 1 97 97 TRP N N 15 128.0 0.1 . 1 . . . . . . . . 5320 1 792 . 1 1 97 97 TRP NE1 N 15 129.2 0.1 . 1 . . . . . . . . 5320 1 793 . 1 1 98 98 ASP H H 1 9.21 0.01 . 1 . . . . . . . . 5320 1 794 . 1 1 98 98 ASP HA H 1 4.23 0.01 . 1 . . . . . . . . 5320 1 795 . 1 1 98 98 ASP HB2 H 1 2.31 0.01 . 1 . . . . . . . . 5320 1 796 . 1 1 98 98 ASP HB3 H 1 2.76 0.01 . 1 . . . . . . . . 5320 1 797 . 1 1 98 98 ASP N N 15 122.1 0.1 . 1 . . . . . . . . 5320 1 798 . 1 1 99 99 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 5320 1 799 . 1 1 99 99 GLY HA2 H 1 3.54 0.01 . 1 . . . . . . . . 5320 1 800 . 1 1 99 99 GLY HA3 H 1 3.93 0.01 . 1 . . . . . . . . 5320 1 801 . 1 1 99 99 GLY N N 15 103.9 0.1 . 1 . . . . . . . . 5320 1 802 . 1 1 100 100 LYS H H 1 8.41 0.01 . 1 . . . . . . . . 5320 1 803 . 1 1 100 100 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 5320 1 804 . 1 1 100 100 LYS HB2 H 1 0.18 0.01 . 1 . . . . . . . . 5320 1 805 . 1 1 100 100 LYS HB3 H 1 0.99 0.01 . 1 . . . . . . . . 5320 1 806 . 1 1 100 100 LYS HG2 H 1 1.25 0.01 . 1 . . . . . . . . 5320 1 807 . 1 1 100 100 LYS HG3 H 1 1.25 0.01 . 1 . . . . . . . . 5320 1 808 . 1 1 100 100 LYS HD2 H 1 1.62 0.01 . 1 . . . . . . . . 5320 1 809 . 1 1 100 100 LYS HD3 H 1 1.62 0.01 . 1 . . . . . . . . 5320 1 810 . 1 1 100 100 LYS HE2 H 1 2.86 0.01 . 1 . . . . . . . . 5320 1 811 . 1 1 100 100 LYS HE3 H 1 2.78 0.01 . 1 . . . . . . . . 5320 1 812 . 1 1 100 100 LYS N N 15 122.9 0.1 . 1 . . . . . . . . 5320 1 813 . 1 1 101 101 GLU H H 1 8.10 0.01 . 1 . . . . . . . . 5320 1 814 . 1 1 101 101 GLU HA H 1 5.72 0.01 . 1 . . . . . . . . 5320 1 815 . 1 1 101 101 GLU HB2 H 1 1.87 0.01 . 1 . . . . . . . . 5320 1 816 . 1 1 101 101 GLU HB3 H 1 1.87 0.01 . 1 . . . . . . . . 5320 1 817 . 1 1 101 101 GLU HG2 H 1 2.06 0.01 . 1 . . . . . . . . 5320 1 818 . 1 1 101 101 GLU HG3 H 1 2.06 0.01 . 1 . . . . . . . . 5320 1 819 . 1 1 101 101 GLU N N 15 110.7 0.1 . 1 . . . . . . . . 5320 1 820 . 1 1 102 102 THR H H 1 9.01 0.01 . 1 . . . . . . . . 5320 1 821 . 1 1 102 102 THR HA H 1 5.26 0.01 . 1 . . . . . . . . 5320 1 822 . 1 1 102 102 THR HB H 1 4.47 0.01 . 1 . . . . . . . . 5320 1 823 . 1 1 102 102 THR HG21 H 1 1.14 0.01 . 1 . . . . . . . . 5320 1 824 . 1 1 102 102 THR HG22 H 1 1.14 0.01 . 1 . . . . . . . . 5320 1 825 . 1 1 102 102 THR HG23 H 1 1.14 0.01 . 1 . . . . . . . . 5320 1 826 . 1 1 102 102 THR N N 15 117.5 0.1 . 1 . . . . . . . . 5320 1 827 . 1 1 103 103 ASN H H 1 8.01 0.01 . 1 . . . . . . . . 5320 1 828 . 1 1 103 103 ASN HA H 1 5.62 0.01 . 1 . . . . . . . . 5320 1 829 . 1 1 103 103 ASN HB2 H 1 2.38 0.01 . 1 . . . . . . . . 5320 1 830 . 1 1 103 103 ASN HB3 H 1 2.64 0.01 . 1 . . . . . . . . 5320 1 831 . 1 1 103 103 ASN HD21 H 1 7.78 0.01 . 1 . . . . . . . . 5320 1 832 . 1 1 103 103 ASN HD22 H 1 6.87 0.01 . 1 . . . . . . . . 5320 1 833 . 1 1 103 103 ASN N N 15 120.0 0.1 . 1 . . . . . . . . 5320 1 834 . 1 1 103 103 ASN ND2 N 15 115.8 0.1 . 1 . . . . . . . . 5320 1 835 . 1 1 104 104 PHE H H 1 9.33 0.01 . 1 . . . . . . . . 5320 1 836 . 1 1 104 104 PHE HA H 1 5.91 0.01 . 1 . . . . . . . . 5320 1 837 . 1 1 104 104 PHE HB2 H 1 3.14 0.01 . 1 . . . . . . . . 5320 1 838 . 1 1 104 104 PHE HB3 H 1 2.92 0.01 . 1 . . . . . . . . 5320 1 839 . 1 1 104 104 PHE HD1 H 1 6.78 0.01 . 1 . . . . . . . . 5320 1 840 . 1 1 104 104 PHE HD2 H 1 6.78 0.01 . 1 . . . . . . . . 5320 1 841 . 1 1 104 104 PHE HE1 H 1 7.05 0.01 . 1 . . . . . . . . 5320 1 842 . 1 1 104 104 PHE HE2 H 1 7.05 0.01 . 1 . . . . . . . . 5320 1 843 . 1 1 104 104 PHE HZ H 1 6.86 0.01 . 1 . . . . . . . . 5320 1 844 . 1 1 104 104 PHE N N 15 119.3 0.1 . 1 . . . . . . . . 5320 1 845 . 1 1 105 105 VAL H H 1 9.36 0.01 . 1 . . . . . . . . 5320 1 846 . 1 1 105 105 VAL HA H 1 4.86 0.01 . 1 . . . . . . . . 5320 1 847 . 1 1 105 105 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 5320 1 848 . 1 1 105 105 VAL HG11 H 1 0.94 0.01 . 1 . . . . . . . . 5320 1 849 . 1 1 105 105 VAL HG12 H 1 0.94 0.01 . 1 . . . . . . . . 5320 1 850 . 1 1 105 105 VAL HG13 H 1 0.94 0.01 . 1 . . . . . . . . 5320 1 851 . 1 1 105 105 VAL HG21 H 1 1.09 0.01 . 1 . . . . . . . . 5320 1 852 . 1 1 105 105 VAL HG22 H 1 1.09 0.01 . 1 . . . . . . . . 5320 1 853 . 1 1 105 105 VAL HG23 H 1 1.09 0.01 . 1 . . . . . . . . 5320 1 854 . 1 1 105 105 VAL N N 15 127.3 0.1 . 1 . . . . . . . . 5320 1 855 . 1 1 106 106 ARG H H 1 9.23 0.01 . 1 . . . . . . . . 5320 1 856 . 1 1 106 106 ARG HA H 1 5.35 0.01 . 1 . . . . . . . . 5320 1 857 . 1 1 106 106 ARG HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5320 1 858 . 1 1 106 106 ARG HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5320 1 859 . 1 1 106 106 ARG HG2 H 1 1.23 0.01 . 1 . . . . . . . . 5320 1 860 . 1 1 106 106 ARG HG3 H 1 1.79 0.01 . 1 . . . . . . . . 5320 1 861 . 1 1 106 106 ARG N N 15 127.1 0.1 . 1 . . . . . . . . 5320 1 862 . 1 1 107 107 GLU H H 1 8.93 0.01 . 1 . . . . . . . . 5320 1 863 . 1 1 107 107 GLU HA H 1 5.07 0.01 . 1 . . . . . . . . 5320 1 864 . 1 1 107 107 GLU HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 865 . 1 1 107 107 GLU HB3 H 1 1.99 0.01 . 1 . . . . . . . . 5320 1 866 . 1 1 107 107 GLU HG2 H 1 2.19 0.01 . 1 . . . . . . . . 5320 1 867 . 1 1 107 107 GLU HG3 H 1 2.19 0.01 . 1 . . . . . . . . 5320 1 868 . 1 1 107 107 GLU N N 15 121.0 0.1 . 1 . . . . . . . . 5320 1 869 . 1 1 108 108 ILE H H 1 9.05 0.01 . 1 . . . . . . . . 5320 1 870 . 1 1 108 108 ILE HA H 1 4.91 0.01 . 1 . . . . . . . . 5320 1 871 . 1 1 108 108 ILE HB H 1 1.74 0.01 . 1 . . . . . . . . 5320 1 872 . 1 1 108 108 ILE HG12 H 1 0.53 0.01 . 1 . . . . . . . . 5320 1 873 . 1 1 108 108 ILE HG13 H 1 0.64 0.01 . 1 . . . . . . . . 5320 1 874 . 1 1 108 108 ILE HG21 H 1 0.71 0.01 . 1 . . . . . . . . 5320 1 875 . 1 1 108 108 ILE HG22 H 1 0.71 0.01 . 1 . . . . . . . . 5320 1 876 . 1 1 108 108 ILE HG23 H 1 0.71 0.01 . 1 . . . . . . . . 5320 1 877 . 1 1 108 108 ILE HD11 H 1 0.16 0.01 . 1 . . . . . . . . 5320 1 878 . 1 1 108 108 ILE HD12 H 1 0.16 0.01 . 1 . . . . . . . . 5320 1 879 . 1 1 108 108 ILE HD13 H 1 0.16 0.01 . 1 . . . . . . . . 5320 1 880 . 1 1 108 108 ILE N N 15 123.9 0.1 . 1 . . . . . . . . 5320 1 881 . 1 1 109 109 LYS H H 1 9.12 0.01 . 1 . . . . . . . . 5320 1 882 . 1 1 109 109 LYS HA H 1 4.59 0.01 . 1 . . . . . . . . 5320 1 883 . 1 1 109 109 LYS HB2 H 1 1.56 0.01 . 1 . . . . . . . . 5320 1 884 . 1 1 109 109 LYS HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5320 1 885 . 1 1 109 109 LYS HG2 H 1 1.27 0.01 . 1 . . . . . . . . 5320 1 886 . 1 1 109 109 LYS HG3 H 1 1.27 0.01 . 1 . . . . . . . . 5320 1 887 . 1 1 109 109 LYS HD2 H 1 1.62 0.01 . 1 . . . . . . . . 5320 1 888 . 1 1 109 109 LYS HD3 H 1 1.62 0.01 . 1 . . . . . . . . 5320 1 889 . 1 1 109 109 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 5320 1 890 . 1 1 109 109 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . 5320 1 891 . 1 1 109 109 LYS N N 15 128.5 0.1 . 1 . . . . . . . . 5320 1 892 . 1 1 110 110 ASP H H 1 9.49 0.01 . 1 . . . . . . . . 5320 1 893 . 1 1 110 110 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 5320 1 894 . 1 1 110 110 ASP HB2 H 1 2.96 0.01 . 1 . . . . . . . . 5320 1 895 . 1 1 110 110 ASP HB3 H 1 2.62 0.01 . 1 . . . . . . . . 5320 1 896 . 1 1 111 111 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 5320 1 897 . 1 1 111 111 GLY HA2 H 1 3.67 0.01 . 1 . . . . . . . . 5320 1 898 . 1 1 111 111 GLY HA3 H 1 4.22 0.01 . 1 . . . . . . . . 5320 1 899 . 1 1 111 111 GLY N N 15 102.9 0.1 . 1 . . . . . . . . 5320 1 900 . 1 1 112 112 LYS H H 1 7.92 0.01 . 1 . . . . . . . . 5320 1 901 . 1 1 112 112 LYS HA H 1 5.11 0.01 . 1 . . . . . . . . 5320 1 902 . 1 1 112 112 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 5320 1 903 . 1 1 112 112 LYS HB3 H 1 2.15 0.01 . 1 . . . . . . . . 5320 1 904 . 1 1 112 112 LYS HG2 H 1 1.62 0.01 . 1 . . . . . . . . 5320 1 905 . 1 1 112 112 LYS HG3 H 1 1.62 0.01 . 1 . . . . . . . . 5320 1 906 . 1 1 112 112 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5320 1 907 . 1 1 112 112 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5320 1 908 . 1 1 112 112 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5320 1 909 . 1 1 112 112 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5320 1 910 . 1 1 112 112 LYS N N 15 121.3 0.1 . 1 . . . . . . . . 5320 1 911 . 1 1 113 113 MET H H 1 8.21 0.01 . 1 . . . . . . . . 5320 1 912 . 1 1 113 113 MET HA H 1 4.95 0.01 . 1 . . . . . . . . 5320 1 913 . 1 1 113 113 MET HB2 H 1 1.82 0.01 . 1 . . . . . . . . 5320 1 914 . 1 1 113 113 MET HB3 H 1 1.15 0.01 . 1 . . . . . . . . 5320 1 915 . 1 1 113 113 MET HG2 H 1 -0.04 0.01 . 1 . . . . . . . . 5320 1 916 . 1 1 113 113 MET HG3 H 1 -0.04 0.01 . 1 . . . . . . . . 5320 1 917 . 1 1 113 113 MET N N 15 122.1 0.1 . 1 . . . . . . . . 5320 1 918 . 1 1 114 114 VAL H H 1 9.21 0.01 . 1 . . . . . . . . 5320 1 919 . 1 1 114 114 VAL HA H 1 4.51 0.01 . 1 . . . . . . . . 5320 1 920 . 1 1 114 114 VAL HB H 1 1.81 0.01 . 1 . . . . . . . . 5320 1 921 . 1 1 114 114 VAL HG11 H 1 0.61 0.01 . 1 . . . . . . . . 5320 1 922 . 1 1 114 114 VAL HG12 H 1 0.61 0.01 . 1 . . . . . . . . 5320 1 923 . 1 1 114 114 VAL HG13 H 1 0.61 0.01 . 1 . . . . . . . . 5320 1 924 . 1 1 114 114 VAL HG21 H 1 0.75 0.01 . 1 . . . . . . . . 5320 1 925 . 1 1 114 114 VAL HG22 H 1 0.75 0.01 . 1 . . . . . . . . 5320 1 926 . 1 1 114 114 VAL HG23 H 1 0.75 0.01 . 1 . . . . . . . . 5320 1 927 . 1 1 114 114 VAL N N 15 128.7 0.1 . 1 . . . . . . . . 5320 1 928 . 1 1 115 115 MET H H 1 9.73 0.01 . 1 . . . . . . . . 5320 1 929 . 1 1 115 115 MET HA H 1 5.78 0.01 . 1 . . . . . . . . 5320 1 930 . 1 1 115 115 MET HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5320 1 931 . 1 1 115 115 MET HB3 H 1 2.29 0.01 . 1 . . . . . . . . 5320 1 932 . 1 1 115 115 MET HG2 H 1 2.09 0.01 . 1 . . . . . . . . 5320 1 933 . 1 1 115 115 MET HG3 H 1 2.09 0.01 . 1 . . . . . . . . 5320 1 934 . 1 1 115 115 MET HE1 H 1 2.06 0.01 . 9 . . . . . . . . 5320 1 935 . 1 1 115 115 MET HE2 H 1 2.06 0.01 . 9 . . . . . . . . 5320 1 936 . 1 1 115 115 MET HE3 H 1 2.06 0.01 . 9 . . . . . . . . 5320 1 937 . 1 1 115 115 MET N N 15 130.3 0.1 . 1 . . . . . . . . 5320 1 938 . 1 1 116 116 THR H H 1 9.35 0.01 . 1 . . . . . . . . 5320 1 939 . 1 1 116 116 THR HA H 1 5.06 0.01 . 1 . . . . . . . . 5320 1 940 . 1 1 116 116 THR HB H 1 3.92 0.01 . 1 . . . . . . . . 5320 1 941 . 1 1 116 116 THR HG21 H 1 1.10 0.01 . 1 . . . . . . . . 5320 1 942 . 1 1 116 116 THR HG22 H 1 1.10 0.01 . 1 . . . . . . . . 5320 1 943 . 1 1 116 116 THR HG23 H 1 1.10 0.01 . 1 . . . . . . . . 5320 1 944 . 1 1 116 116 THR N N 15 124.9 0.1 . 1 . . . . . . . . 5320 1 945 . 1 1 117 117 LEU H H 1 9.87 0.01 . 1 . . . . . . . . 5320 1 946 . 1 1 117 117 LEU HA H 1 5.29 0.01 . 1 . . . . . . . . 5320 1 947 . 1 1 117 117 LEU HB2 H 1 0.89 0.01 . 1 . . . . . . . . 5320 1 948 . 1 1 117 117 LEU HB3 H 1 1.06 0.01 . 1 . . . . . . . . 5320 1 949 . 1 1 117 117 LEU HG H 1 1.25 0.01 . 1 . . . . . . . . 5320 1 950 . 1 1 117 117 LEU HD11 H 1 0.63 0.01 . 1 . . . . . . . . 5320 1 951 . 1 1 117 117 LEU HD12 H 1 0.63 0.01 . 1 . . . . . . . . 5320 1 952 . 1 1 117 117 LEU HD13 H 1 0.63 0.01 . 1 . . . . . . . . 5320 1 953 . 1 1 117 117 LEU HD21 H 1 0.40 0.01 . 1 . . . . . . . . 5320 1 954 . 1 1 117 117 LEU HD22 H 1 0.40 0.01 . 1 . . . . . . . . 5320 1 955 . 1 1 117 117 LEU HD23 H 1 0.40 0.01 . 1 . . . . . . . . 5320 1 956 . 1 1 117 117 LEU N N 15 132.7 0.1 . 1 . . . . . . . . 5320 1 957 . 1 1 118 118 THR H H 1 8.82 0.01 . 1 . . . . . . . . 5320 1 958 . 1 1 118 118 THR HA H 1 5.47 0.01 . 1 . . . . . . . . 5320 1 959 . 1 1 118 118 THR HB H 1 4.02 0.01 . 1 . . . . . . . . 5320 1 960 . 1 1 118 118 THR HG1 H 1 6.21 0.01 . 1 . . . . . . . . 5320 1 961 . 1 1 118 118 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 962 . 1 1 118 118 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 963 . 1 1 118 118 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 5320 1 964 . 1 1 118 118 THR N N 15 116.6 0.1 . 1 . . . . . . . . 5320 1 965 . 1 1 119 119 PHE H H 1 9.75 0.01 . 1 . . . . . . . . 5320 1 966 . 1 1 119 119 PHE HA H 1 5.22 0.01 . 1 . . . . . . . . 5320 1 967 . 1 1 119 119 PHE HB2 H 1 3.20 0.01 . 1 . . . . . . . . 5320 1 968 . 1 1 119 119 PHE HB3 H 1 2.89 0.01 . 1 . . . . . . . . 5320 1 969 . 1 1 119 119 PHE HD1 H 1 7.36 0.01 . 1 . . . . . . . . 5320 1 970 . 1 1 119 119 PHE HD2 H 1 7.36 0.01 . 1 . . . . . . . . 5320 1 971 . 1 1 119 119 PHE HE1 H 1 7.32 0.01 . 1 . . . . . . . . 5320 1 972 . 1 1 119 119 PHE HE2 H 1 7.32 0.01 . 1 . . . . . . . . 5320 1 973 . 1 1 119 119 PHE HZ H 1 7.42 0.01 . 1 . . . . . . . . 5320 1 974 . 1 1 119 119 PHE N N 15 131.7 0.1 . 1 . . . . . . . . 5320 1 975 . 1 1 120 120 GLY H H 1 9.12 0.01 . 1 . . . . . . . . 5320 1 976 . 1 1 120 120 GLY HA2 H 1 3.45 0.01 . 1 . . . . . . . . 5320 1 977 . 1 1 120 120 GLY HA3 H 1 3.70 0.01 . 1 . . . . . . . . 5320 1 978 . 1 1 120 120 GLY N N 15 119.0 0.1 . 1 . . . . . . . . 5320 1 979 . 1 1 121 121 ASP H H 1 8.63 0.01 . 1 . . . . . . . . 5320 1 980 . 1 1 121 121 ASP HA H 1 4.62 0.01 . 1 . . . . . . . . 5320 1 981 . 1 1 121 121 ASP HB2 H 1 2.72 0.01 . 1 . . . . . . . . 5320 1 982 . 1 1 121 121 ASP HB3 H 1 2.72 0.01 . 1 . . . . . . . . 5320 1 983 . 1 1 121 121 ASP N N 15 126.2 0.1 . 1 . . . . . . . . 5320 1 984 . 1 1 122 122 VAL H H 1 8.48 0.01 . 1 . . . . . . . . 5320 1 985 . 1 1 122 122 VAL HA H 1 4.10 0.01 . 1 . . . . . . . . 5320 1 986 . 1 1 122 122 VAL HB H 1 2.49 0.01 . 1 . . . . . . . . 5320 1 987 . 1 1 122 122 VAL HG11 H 1 0.96 0.01 . 1 . . . . . . . . 5320 1 988 . 1 1 122 122 VAL HG12 H 1 0.96 0.01 . 1 . . . . . . . . 5320 1 989 . 1 1 122 122 VAL HG13 H 1 0.96 0.01 . 1 . . . . . . . . 5320 1 990 . 1 1 122 122 VAL HG21 H 1 1.07 0.01 . 1 . . . . . . . . 5320 1 991 . 1 1 122 122 VAL HG22 H 1 1.07 0.01 . 1 . . . . . . . . 5320 1 992 . 1 1 122 122 VAL HG23 H 1 1.07 0.01 . 1 . . . . . . . . 5320 1 993 . 1 1 122 122 VAL N N 15 123.6 0.1 . 1 . . . . . . . . 5320 1 994 . 1 1 123 123 VAL H H 1 8.36 0.01 . 1 . . . . . . . . 5320 1 995 . 1 1 123 123 VAL HA H 1 5.40 0.01 . 1 . . . . . . . . 5320 1 996 . 1 1 123 123 VAL HB H 1 1.84 0.01 . 1 . . . . . . . . 5320 1 997 . 1 1 123 123 VAL HG11 H 1 0.82 0.01 . 1 . . . . . . . . 5320 1 998 . 1 1 123 123 VAL HG12 H 1 0.82 0.01 . 1 . . . . . . . . 5320 1 999 . 1 1 123 123 VAL HG13 H 1 0.82 0.01 . 1 . . . . . . . . 5320 1 1000 . 1 1 123 123 VAL HG21 H 1 0.93 0.01 . 1 . . . . . . . . 5320 1 1001 . 1 1 123 123 VAL HG22 H 1 0.93 0.01 . 1 . . . . . . . . 5320 1 1002 . 1 1 123 123 VAL HG23 H 1 0.93 0.01 . 1 . . . . . . . . 5320 1 1003 . 1 1 123 123 VAL N N 15 127.4 0.1 . 1 . . . . . . . . 5320 1 1004 . 1 1 124 124 ALA H H 1 9.70 0.01 . 1 . . . . . . . . 5320 1 1005 . 1 1 124 124 ALA HA H 1 5.27 0.01 . 1 . . . . . . . . 5320 1 1006 . 1 1 124 124 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 5320 1 1007 . 1 1 124 124 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5320 1 1008 . 1 1 124 124 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5320 1 1009 . 1 1 124 124 ALA N N 15 130.7 0.1 . 1 . . . . . . . . 5320 1 1010 . 1 1 125 125 VAL H H 1 8.56 0.01 . 1 . . . . . . . . 5320 1 1011 . 1 1 125 125 VAL HA H 1 5.15 0.01 . 1 . . . . . . . . 5320 1 1012 . 1 1 125 125 VAL HB H 1 1.82 0.01 . 1 . . . . . . . . 5320 1 1013 . 1 1 125 125 VAL HG11 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 1014 . 1 1 125 125 VAL HG12 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 1015 . 1 1 125 125 VAL HG13 H 1 0.72 0.01 . 1 . . . . . . . . 5320 1 1016 . 1 1 125 125 VAL HG21 H 1 0.89 0.01 . 1 . . . . . . . . 5320 1 1017 . 1 1 125 125 VAL HG22 H 1 0.89 0.01 . 1 . . . . . . . . 5320 1 1018 . 1 1 125 125 VAL HG23 H 1 0.89 0.01 . 1 . . . . . . . . 5320 1 1019 . 1 1 125 125 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 5320 1 1020 . 1 1 126 126 ARG H H 1 9.54 0.01 . 1 . . . . . . . . 5320 1 1021 . 1 1 126 126 ARG HA H 1 4.89 0.01 . 1 . . . . . . . . 5320 1 1022 . 1 1 126 126 ARG HB2 H 1 1.45 0.01 . 1 . . . . . . . . 5320 1 1023 . 1 1 126 126 ARG HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5320 1 1024 . 1 1 126 126 ARG HG2 H 1 1.16 0.01 . 1 . . . . . . . . 5320 1 1025 . 1 1 126 126 ARG HG3 H 1 1.76 0.01 . 1 . . . . . . . . 5320 1 1026 . 1 1 126 126 ARG N N 15 128.5 0.1 . 1 . . . . . . . . 5320 1 1027 . 1 1 127 127 HIS H H 1 8.64 0.01 . 1 . . . . . . . . 5320 1 1028 . 1 1 127 127 HIS HA H 1 5.35 0.01 . 1 . . . . . . . . 5320 1 1029 . 1 1 127 127 HIS HB2 H 1 2.85 0.01 . 1 . . . . . . . . 5320 1 1030 . 1 1 127 127 HIS HB3 H 1 2.95 0.01 . 1 . . . . . . . . 5320 1 1031 . 1 1 127 127 HIS HD2 H 1 7.06 0.01 . 1 . . . . . . . . 5320 1 1032 . 1 1 127 127 HIS HE1 H 1 7.82 0.01 . 1 . . . . . . . . 5320 1 1033 . 1 1 127 127 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 5320 1 1034 . 1 1 128 128 TYR H H 1 9.46 0.01 . 1 . . . . . . . . 5320 1 1035 . 1 1 128 128 TYR HA H 1 5.51 0.01 . 1 . . . . . . . . 5320 1 1036 . 1 1 128 128 TYR HB2 H 1 2.87 0.01 . 1 . . . . . . . . 5320 1 1037 . 1 1 128 128 TYR HB3 H 1 3.10 0.01 . 1 . . . . . . . . 5320 1 1038 . 1 1 128 128 TYR HD1 H 1 6.80 0.01 . 1 . . . . . . . . 5320 1 1039 . 1 1 128 128 TYR HD2 H 1 6.80 0.01 . 1 . . . . . . . . 5320 1 1040 . 1 1 128 128 TYR HE1 H 1 6.46 0.01 . 1 . . . . . . . . 5320 1 1041 . 1 1 128 128 TYR HE2 H 1 6.46 0.01 . 1 . . . . . . . . 5320 1 1042 . 1 1 128 128 TYR N N 15 120.5 0.1 . 1 . . . . . . . . 5320 1 1043 . 1 1 129 129 GLU H H 1 9.16 0.01 . 1 . . . . . . . . 5320 1 1044 . 1 1 129 129 GLU HA H 1 5.46 0.01 . 1 . . . . . . . . 5320 1 1045 . 1 1 129 129 GLU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 5320 1 1046 . 1 1 129 129 GLU HB3 H 1 2.18 0.01 . 1 . . . . . . . . 5320 1 1047 . 1 1 129 129 GLU HG2 H 1 2.41 0.01 . 1 . . . . . . . . 5320 1 1048 . 1 1 129 129 GLU HG3 H 1 2.41 0.01 . 1 . . . . . . . . 5320 1 1049 . 1 1 129 129 GLU N N 15 120.0 0.1 . 1 . . . . . . . . 5320 1 1050 . 1 1 130 130 LYS H H 1 9.21 0.01 . 1 . . . . . . . . 5320 1 1051 . 1 1 130 130 LYS HA H 1 4.14 0.01 . 1 . . . . . . . . 5320 1 1052 . 1 1 130 130 LYS HB2 H 1 1.49 0.01 . 1 . . . . . . . . 5320 1 1053 . 1 1 130 130 LYS HB3 H 1 1.49 0.01 . 1 . . . . . . . . 5320 1 1054 . 1 1 130 130 LYS HG2 H 1 0.42 0.01 . 1 . . . . . . . . 5320 1 1055 . 1 1 130 130 LYS HG3 H 1 0.85 0.01 . 1 . . . . . . . . 5320 1 1056 . 1 1 130 130 LYS HD2 H 1 1.26 0.01 . 1 . . . . . . . . 5320 1 1057 . 1 1 130 130 LYS HD3 H 1 1.35 0.01 . 1 . . . . . . . . 5320 1 1058 . 1 1 130 130 LYS HE2 H 1 2.51 0.01 . 1 . . . . . . . . 5320 1 1059 . 1 1 130 130 LYS HE3 H 1 2.74 0.01 . 1 . . . . . . . . 5320 1 1060 . 1 1 130 130 LYS N N 15 125.1 0.1 . 1 . . . . . . . . 5320 1 1061 . 1 1 131 131 ALA H H 1 8.48 0.01 . 1 . . . . . . . . 5320 1 1062 . 1 1 131 131 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 5320 1 1063 . 1 1 131 131 ALA HB1 H 1 1.20 0.01 . 1 . . . . . . . . 5320 1 1064 . 1 1 131 131 ALA HB2 H 1 1.20 0.01 . 1 . . . . . . . . 5320 1 1065 . 1 1 131 131 ALA HB3 H 1 1.20 0.01 . 1 . . . . . . . . 5320 1 1066 . 1 1 131 131 ALA N N 15 133.4 0.1 . 1 . . . . . . . . 5320 1 stop_ save_