data_5128 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5128 _Entry.Title ; GABARAP, GABAA receptor associated protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-08-31 _Entry.Accession_date 2001-08-31 _Entry.Last_release_date 2002-04-08 _Entry.Original_release_date 2002-04-08 _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 Takahide Kouno . . . 5128 2 Kazunori Miura . . . 5128 3 Takashi Kanematsu . . . 5128 4 Masahiro Shirakawa . . . 5128 5 Masato Hirata . . . 5128 6 Keiichi Kawano . . . 5128 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5128 coupling_constants 1 5128 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 654 5128 '13C chemical shifts' 199 5128 '15N chemical shifts' 97 5128 'coupling constants' 59 5128 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 . . 2002-04-08 2001-08-31 original author . 5128 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5128 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21882795 _Citation.DOI . _Citation.PubMed_ID 11885988 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Resonance Assignments of GABARAP, GABAA Receptor Associated Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 1 _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 97 _Citation.Page_last 98 _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 Takahide Kouno . . . 5128 1 2 Kazunori Miura . . . 5128 1 3 Takashi Kanematsu . . . 5128 1 4 Masahiro Shirakawa . . . 5128 1 5 Masato Hirata . . . 5128 1 6 Keiichi Kawano . . . 5128 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GABAA receptor associated protein' 5128 1 'GABAAR g2 subunit' 5128 1 GABARAP 5128 1 'heteronuclear NMR' 5128 1 'intracellular trafficking' 5128 1 'resonance assignments' 5128 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_GABARAP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_GABARAP _Assembly.Entry_ID 5128 _Assembly.ID 1 _Assembly.Name 'GABARAP monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5128 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 GABARAP 1 $GABARAP . . . native . . . . . 5128 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'GABARAP monomer' system 5128 1 GABARAP abbreviation 5128 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GABARAP _Entity.Sf_category entity _Entity.Sf_framecode GABARAP _Entity.Entry_ID 5128 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'GABAA receptor associated 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 ; MKFVYKEEHPFEKRRSEGEK IRKKYPDRVPVIVEKAPKAR IGDLDKKKYLVPSDLTVGQF YFLIRKRIHLRAEDALFFFV NNVIPPTSATMGQLYQEHHE EDFFLYIAYSDESVYGL ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 5058 . GABARAP . . . . . 100.00 119 100.00 100.00 2.37e-78 . . . . 5128 1 2 no BMRB 5064 . GABARAP . . . . . 100.00 136 100.00 100.00 3.15e-78 . . . . 5128 1 3 no PDB 1GNU . "Gaba(a) Receptor Associated Protein Gabarap" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 4 no PDB 1KJT . "Crystal Structure Of The Gaba(A) Receptor Associated Protein, Gabarap" . . . . . 100.00 119 100.00 100.00 1.76e-78 . . . . 5128 1 5 no PDB 1KLV . "Solution Structure And Backbone Dynamics Of Gabarap, Gabaa Receptor Associated Protein" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 6 no PDB 1KM7 . "Solution Structure And Backbone Dynamics Of Gabarap, Gabaa Receptor Associated Protein" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 7 no PDB 1KOT . "Solution Structure Of Human Gaba Receptor Associated Protein Gabarap" . . . . . 100.00 119 100.00 100.00 2.37e-78 . . . . 5128 1 8 no PDB 3D32 . "Complex Of Gaba(a) Receptor-associated Protein (gabarap) With A Synthetic Peptide" . . . . . 100.00 119 100.00 100.00 2.37e-78 . . . . 5128 1 9 no PDB 3DOW . "Complex Structure Of Gaba Type A Receptor Associated Protein And Its Binding Epitope On Calreticulin" . . . . . 100.00 119 100.00 100.00 2.37e-78 . . . . 5128 1 10 no PDB 3WIM . "Gabarap-lir Peptide Complex" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 11 no DBJ BAB21549 . "MAP1 light chain 3 related protein [Homo sapiens]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 12 no DBJ BAB22426 . "unnamed protein product [Mus musculus]" . . . . . 100.00 117 99.15 100.00 1.11e-77 . . . . 5128 1 13 no DBJ BAB27806 . "unnamed protein product [Mus musculus]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 14 no DBJ BAG35138 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 117 99.15 100.00 5.94e-78 . . . . 5128 1 15 no EMBL CAG00707 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 99.15 116 98.28 98.28 1.64e-75 . . . . 5128 1 16 no EMBL CAG33324 . "GABARAP [Homo sapiens]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 17 no EMBL CAG47031 . "GABARAP [Homo sapiens]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 18 no EMBL CAP17839 . "GABAA receptor-associated protein 1 [Carassius carassius]" . . . . . 81.20 95 100.00 100.00 2.52e-61 . . . . 5128 1 19 no EMBL CAP17840 . "GABAA receptor-associated protein 2 [Carassius carassius]" . . . . . 52.99 62 98.39 98.39 1.56e-34 . . . . 5128 1 20 no GB AAD02337 . "MM46 [Homo sapiens]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 21 no GB AAD32455 . "ganglioside expression factor 2 homolog [Homo sapiens]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 22 no GB AAD47641 . "GABA-A receptor-associated protein [Homo sapiens]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 23 no GB AAD47642 . "GABA-A receptor-associated protein [Mus musculus]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 24 no GB AAD47643 . "GABA-A receptor-associated protein [Rattus norvegicus]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 25 no REF NP_001011192 . "GABA(A) receptor-associated protein like 1 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 26 no REF NP_001013278 . "GABA(A) receptor-associated protein [Danio rerio]" . . . . . 99.15 122 98.28 99.14 5.85e-76 . . . . 5128 1 27 no REF NP_001029220 . "gamma-aminobutyric acid receptor-associated protein [Bos taurus]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 28 no REF NP_001075611 . "gamma-aminobutyric acid receptor-associated protein [Oryctolagus cuniculus]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 29 no REF NP_001084530 . "uncharacterized protein LOC414477 [Xenopus laevis]" . . . . . 100.00 117 98.29 99.15 3.84e-77 . . . . 5128 1 30 no SP O95166 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; AltName: " . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 31 no SP P60517 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 32 no SP Q8MK68 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 33 no SP Q9DCD6 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 34 no SP Q9GJW7 . "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 35 no TPG DAA18837 . "TPA: gamma-aminobutyric acid receptor-associated protein [Bos taurus]" . . . . . 100.00 117 100.00 100.00 2.89e-78 . . . . 5128 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GABAA receptor associated protein' common 5128 1 GABARAP abbreviation 5128 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5128 1 2 . LYS . 5128 1 3 . PHE . 5128 1 4 . VAL . 5128 1 5 . TYR . 5128 1 6 . LYS . 5128 1 7 . GLU . 5128 1 8 . GLU . 5128 1 9 . HIS . 5128 1 10 . PRO . 5128 1 11 . PHE . 5128 1 12 . GLU . 5128 1 13 . LYS . 5128 1 14 . ARG . 5128 1 15 . ARG . 5128 1 16 . SER . 5128 1 17 . GLU . 5128 1 18 . GLY . 5128 1 19 . GLU . 5128 1 20 . LYS . 5128 1 21 . ILE . 5128 1 22 . ARG . 5128 1 23 . LYS . 5128 1 24 . LYS . 5128 1 25 . TYR . 5128 1 26 . PRO . 5128 1 27 . ASP . 5128 1 28 . ARG . 5128 1 29 . VAL . 5128 1 30 . PRO . 5128 1 31 . VAL . 5128 1 32 . ILE . 5128 1 33 . VAL . 5128 1 34 . GLU . 5128 1 35 . LYS . 5128 1 36 . ALA . 5128 1 37 . PRO . 5128 1 38 . LYS . 5128 1 39 . ALA . 5128 1 40 . ARG . 5128 1 41 . ILE . 5128 1 42 . GLY . 5128 1 43 . ASP . 5128 1 44 . LEU . 5128 1 45 . ASP . 5128 1 46 . LYS . 5128 1 47 . LYS . 5128 1 48 . LYS . 5128 1 49 . TYR . 5128 1 50 . LEU . 5128 1 51 . VAL . 5128 1 52 . PRO . 5128 1 53 . SER . 5128 1 54 . ASP . 5128 1 55 . LEU . 5128 1 56 . THR . 5128 1 57 . VAL . 5128 1 58 . GLY . 5128 1 59 . GLN . 5128 1 60 . PHE . 5128 1 61 . TYR . 5128 1 62 . PHE . 5128 1 63 . LEU . 5128 1 64 . ILE . 5128 1 65 . ARG . 5128 1 66 . LYS . 5128 1 67 . ARG . 5128 1 68 . ILE . 5128 1 69 . HIS . 5128 1 70 . LEU . 5128 1 71 . ARG . 5128 1 72 . ALA . 5128 1 73 . GLU . 5128 1 74 . ASP . 5128 1 75 . ALA . 5128 1 76 . LEU . 5128 1 77 . PHE . 5128 1 78 . PHE . 5128 1 79 . PHE . 5128 1 80 . VAL . 5128 1 81 . ASN . 5128 1 82 . ASN . 5128 1 83 . VAL . 5128 1 84 . ILE . 5128 1 85 . PRO . 5128 1 86 . PRO . 5128 1 87 . THR . 5128 1 88 . SER . 5128 1 89 . ALA . 5128 1 90 . THR . 5128 1 91 . MET . 5128 1 92 . GLY . 5128 1 93 . GLN . 5128 1 94 . LEU . 5128 1 95 . TYR . 5128 1 96 . GLN . 5128 1 97 . GLU . 5128 1 98 . HIS . 5128 1 99 . HIS . 5128 1 100 . GLU . 5128 1 101 . GLU . 5128 1 102 . ASP . 5128 1 103 . PHE . 5128 1 104 . PHE . 5128 1 105 . LEU . 5128 1 106 . TYR . 5128 1 107 . ILE . 5128 1 108 . ALA . 5128 1 109 . TYR . 5128 1 110 . SER . 5128 1 111 . ASP . 5128 1 112 . GLU . 5128 1 113 . SER . 5128 1 114 . VAL . 5128 1 115 . TYR . 5128 1 116 . GLY . 5128 1 117 . LEU . 5128 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5128 1 . LYS 2 2 5128 1 . PHE 3 3 5128 1 . VAL 4 4 5128 1 . TYR 5 5 5128 1 . LYS 6 6 5128 1 . GLU 7 7 5128 1 . GLU 8 8 5128 1 . HIS 9 9 5128 1 . PRO 10 10 5128 1 . PHE 11 11 5128 1 . GLU 12 12 5128 1 . LYS 13 13 5128 1 . ARG 14 14 5128 1 . ARG 15 15 5128 1 . SER 16 16 5128 1 . GLU 17 17 5128 1 . GLY 18 18 5128 1 . GLU 19 19 5128 1 . LYS 20 20 5128 1 . ILE 21 21 5128 1 . ARG 22 22 5128 1 . LYS 23 23 5128 1 . LYS 24 24 5128 1 . TYR 25 25 5128 1 . PRO 26 26 5128 1 . ASP 27 27 5128 1 . ARG 28 28 5128 1 . VAL 29 29 5128 1 . PRO 30 30 5128 1 . VAL 31 31 5128 1 . ILE 32 32 5128 1 . VAL 33 33 5128 1 . GLU 34 34 5128 1 . LYS 35 35 5128 1 . ALA 36 36 5128 1 . PRO 37 37 5128 1 . LYS 38 38 5128 1 . ALA 39 39 5128 1 . ARG 40 40 5128 1 . ILE 41 41 5128 1 . GLY 42 42 5128 1 . ASP 43 43 5128 1 . LEU 44 44 5128 1 . ASP 45 45 5128 1 . LYS 46 46 5128 1 . LYS 47 47 5128 1 . LYS 48 48 5128 1 . TYR 49 49 5128 1 . LEU 50 50 5128 1 . VAL 51 51 5128 1 . PRO 52 52 5128 1 . SER 53 53 5128 1 . ASP 54 54 5128 1 . LEU 55 55 5128 1 . THR 56 56 5128 1 . VAL 57 57 5128 1 . GLY 58 58 5128 1 . GLN 59 59 5128 1 . PHE 60 60 5128 1 . TYR 61 61 5128 1 . PHE 62 62 5128 1 . LEU 63 63 5128 1 . ILE 64 64 5128 1 . ARG 65 65 5128 1 . LYS 66 66 5128 1 . ARG 67 67 5128 1 . ILE 68 68 5128 1 . HIS 69 69 5128 1 . LEU 70 70 5128 1 . ARG 71 71 5128 1 . ALA 72 72 5128 1 . GLU 73 73 5128 1 . ASP 74 74 5128 1 . ALA 75 75 5128 1 . LEU 76 76 5128 1 . PHE 77 77 5128 1 . PHE 78 78 5128 1 . PHE 79 79 5128 1 . VAL 80 80 5128 1 . ASN 81 81 5128 1 . ASN 82 82 5128 1 . VAL 83 83 5128 1 . ILE 84 84 5128 1 . PRO 85 85 5128 1 . PRO 86 86 5128 1 . THR 87 87 5128 1 . SER 88 88 5128 1 . ALA 89 89 5128 1 . THR 90 90 5128 1 . MET 91 91 5128 1 . GLY 92 92 5128 1 . GLN 93 93 5128 1 . LEU 94 94 5128 1 . TYR 95 95 5128 1 . GLN 96 96 5128 1 . GLU 97 97 5128 1 . HIS 98 98 5128 1 . HIS 99 99 5128 1 . GLU 100 100 5128 1 . GLU 101 101 5128 1 . ASP 102 102 5128 1 . PHE 103 103 5128 1 . PHE 104 104 5128 1 . LEU 105 105 5128 1 . TYR 106 106 5128 1 . ILE 107 107 5128 1 . ALA 108 108 5128 1 . TYR 109 109 5128 1 . SER 110 110 5128 1 . ASP 111 111 5128 1 . GLU 112 112 5128 1 . SER 113 113 5128 1 . VAL 114 114 5128 1 . TYR 115 115 5128 1 . GLY 116 116 5128 1 . LEU 117 117 5128 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 5128 _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 $GABARAP . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . brain . . . . . . . . . . . . . . . . . 5128 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 5128 _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 $GABARAP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5128 _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 'GABAA receptor associated protein' . . . 1 $GABARAP . . 1 . . mM . . . . 5128 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5128 1 3 NaCl . . . . . . . 50 . . mM . . . . 5128 1 4 NaN3 . . . . . . . 0.02 . . mM . . . . 5128 1 5 H2O . . . . . . . . 0 90 % . . . . 5128 1 6 D2O . . . . . . . . 10 100 % . . . . 5128 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5128 _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 'GABAA receptor associated protein' [U-15N] . . 1 $GABARAP . . 1 . . mM . . . . 5128 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5128 2 3 NaCl . . . . . . . 50 . . mM . . . . 5128 2 4 NaN3 . . . . . . . 0.02 . . mM . . . . 5128 2 5 H2O . . . . . . . . 0 90 % . . . . 5128 2 6 D2O . . . . . . . . 10 100 % . . . . 5128 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5128 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GABAA receptor associated protein' '[U-13C; U-15N]' . . 1 $GABARAP . . 1 . . mM . . . . 5128 3 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5128 3 3 NaCl . . . . . . . 50 . . mM . . . . 5128 3 4 NaN3 . . . . . . . 0.02 . . mM . . . . 5128 3 5 H2O . . . . . . . . 0 90 % . . . . 5128 3 6 D2O . . . . . . . . 10 100 % . . . . 5128 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5128 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5128 1 temperature 298 0.3 K 5128 1 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 5128 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5128 _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 . 500 . . . 5128 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 5128 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 3 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 4 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 5 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 6 '1H-13C-1H HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 8 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 9 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 1 10 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5128 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 5128 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5128 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5128 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 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 5128 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 1H-1H-15N 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5128 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H-1H-15N 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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5128 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-13C-1H HCCH-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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5128 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5128 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5128 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNCO' _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5128 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5128 _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 . . . . . . . . . 5128 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5128 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5128 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5128 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5128 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 MET H H 1 8.29 0.07 . 1 . . . . . . . . 5128 1 2 . 1 1 1 1 MET HA H 1 4.08 0.07 . 1 . . . . . . . . 5128 1 3 . 1 1 1 1 MET HB2 H 1 1.62 0.07 . 4 . . . . . . . . 5128 1 4 . 1 1 1 1 MET HB3 H 1 1.62 0.07 . 4 . . . . . . . . 5128 1 5 . 1 1 1 1 MET HG2 H 1 2.04 0.07 . 4 . . . . . . . . 5128 1 6 . 1 1 1 1 MET HG3 H 1 2.04 0.07 . 4 . . . . . . . . 5128 1 7 . 1 1 1 1 MET CA C 13 55.68 0.74 . 1 . . . . . . . . 5128 1 8 . 1 1 1 1 MET CB C 13 33.47 0.74 . 1 . . . . . . . . 5128 1 9 . 1 1 1 1 MET N N 15 121.82 0.43 . 1 . . . . . . . . 5128 1 10 . 1 1 2 2 LYS H H 1 7.96 0.07 . 1 . . . . . . . . 5128 1 11 . 1 1 2 2 LYS HA H 1 4.41 0.07 . 1 . . . . . . . . 5128 1 12 . 1 1 2 2 LYS HB2 H 1 1.54 0.07 . 4 . . . . . . . . 5128 1 13 . 1 1 2 2 LYS HB3 H 1 1.54 0.07 . 4 . . . . . . . . 5128 1 14 . 1 1 2 2 LYS HG2 H 1 1.10 0.07 . 4 . . . . . . . . 5128 1 15 . 1 1 2 2 LYS HG3 H 1 1.10 0.07 . 4 . . . . . . . . 5128 1 16 . 1 1 2 2 LYS HD2 H 1 1.29 0.07 . 4 . . . . . . . . 5128 1 17 . 1 1 2 2 LYS HD3 H 1 1.29 0.07 . 4 . . . . . . . . 5128 1 18 . 1 1 2 2 LYS HE2 H 1 2.76 0.07 . 4 . . . . . . . . 5128 1 19 . 1 1 2 2 LYS HE3 H 1 2.76 0.07 . 4 . . . . . . . . 5128 1 20 . 1 1 2 2 LYS CA C 13 55.34 0.74 . 1 . . . . . . . . 5128 1 21 . 1 1 2 2 LYS CB C 13 33.42 0.74 . 1 . . . . . . . . 5128 1 22 . 1 1 2 2 LYS N N 15 125.22 0.43 . 1 . . . . . . . . 5128 1 23 . 1 1 3 3 PHE H H 1 8.52 0.07 . 1 . . . . . . . . 5128 1 24 . 1 1 3 3 PHE HA H 1 4.64 0.07 . 1 . . . . . . . . 5128 1 25 . 1 1 3 3 PHE HB2 H 1 2.94 0.07 . 1 . . . . . . . . 5128 1 26 . 1 1 3 3 PHE HB3 H 1 2.94 0.07 . 1 . . . . . . . . 5128 1 27 . 1 1 3 3 PHE CA C 13 57.46 0.74 . 1 . . . . . . . . 5128 1 28 . 1 1 3 3 PHE CB C 13 40.34 0.74 . 1 . . . . . . . . 5128 1 29 . 1 1 3 3 PHE N N 15 123.67 0.43 . 1 . . . . . . . . 5128 1 30 . 1 1 16 16 SER HA H 1 4.14 0.07 . 1 . . . . . . . . 5128 1 31 . 1 1 17 17 GLU H H 1 7.61 0.07 . 1 . . . . . . . . 5128 1 32 . 1 1 17 17 GLU HA H 1 3.97 0.07 . 1 . . . . . . . . 5128 1 33 . 1 1 17 17 GLU HB2 H 1 2.20 0.07 . 4 . . . . . . . . 5128 1 34 . 1 1 17 17 GLU HB3 H 1 2.20 0.07 . 4 . . . . . . . . 5128 1 35 . 1 1 17 17 GLU HG2 H 1 2.23 0.07 . 4 . . . . . . . . 5128 1 36 . 1 1 17 17 GLU HG3 H 1 2.23 0.07 . 4 . . . . . . . . 5128 1 37 . 1 1 17 17 GLU CA C 13 59.36 0.74 . 1 . . . . . . . . 5128 1 38 . 1 1 17 17 GLU CB C 13 29.20 0.74 . 1 . . . . . . . . 5128 1 39 . 1 1 17 17 GLU N N 15 121.48 0.43 . 1 . . . . . . . . 5128 1 40 . 1 1 18 18 GLY H H 1 9.39 0.07 . 1 . . . . . . . . 5128 1 41 . 1 1 18 18 GLY HA2 H 1 2.96 0.07 . 2 . . . . . . . . 5128 1 42 . 1 1 18 18 GLY HA3 H 1 3.95 0.07 . 2 . . . . . . . . 5128 1 43 . 1 1 18 18 GLY CA C 13 47.29 0.74 . 1 . . . . . . . . 5128 1 44 . 1 1 18 18 GLY N N 15 109.59 0.43 . 1 . . . . . . . . 5128 1 45 . 1 1 19 19 GLU H H 1 8.55 0.07 . 1 . . . . . . . . 5128 1 46 . 1 1 19 19 GLU HA H 1 3.00 0.07 . 1 . . . . . . . . 5128 1 47 . 1 1 19 19 GLU HB2 H 1 1.78 0.07 . 4 . . . . . . . . 5128 1 48 . 1 1 19 19 GLU HB3 H 1 1.78 0.07 . 4 . . . . . . . . 5128 1 49 . 1 1 19 19 GLU HG2 H 1 1.87 0.07 . 4 . . . . . . . . 5128 1 50 . 1 1 19 19 GLU HG3 H 1 1.87 0.07 . 4 . . . . . . . . 5128 1 51 . 1 1 19 19 GLU CA C 13 59.29 0.74 . 1 . . . . . . . . 5128 1 52 . 1 1 19 19 GLU CB C 13 29.70 0.74 . 1 . . . . . . . . 5128 1 53 . 1 1 19 19 GLU N N 15 120.39 0.43 . 1 . . . . . . . . 5128 1 54 . 1 1 20 20 LYS H H 1 7.27 0.07 . 1 . . . . . . . . 5128 1 55 . 1 1 20 20 LYS HA H 1 3.74 0.07 . 1 . . . . . . . . 5128 1 56 . 1 1 20 20 LYS HB2 H 1 1.82 0.07 . 4 . . . . . . . . 5128 1 57 . 1 1 20 20 LYS HB3 H 1 1.82 0.07 . 4 . . . . . . . . 5128 1 58 . 1 1 20 20 LYS HG2 H 1 1.24 0.07 . 4 . . . . . . . . 5128 1 59 . 1 1 20 20 LYS HG3 H 1 1.24 0.07 . 4 . . . . . . . . 5128 1 60 . 1 1 20 20 LYS HD2 H 1 1.53 0.07 . 4 . . . . . . . . 5128 1 61 . 1 1 20 20 LYS HD3 H 1 1.53 0.07 . 4 . . . . . . . . 5128 1 62 . 1 1 20 20 LYS HE2 H 1 2.78 0.07 . 4 . . . . . . . . 5128 1 63 . 1 1 20 20 LYS HE3 H 1 2.78 0.07 . 4 . . . . . . . . 5128 1 64 . 1 1 20 20 LYS CA C 13 59.59 0.74 . 1 . . . . . . . . 5128 1 65 . 1 1 20 20 LYS CB C 13 32.30 0.74 . 1 . . . . . . . . 5128 1 66 . 1 1 20 20 LYS N N 15 118.24 0.43 . 1 . . . . . . . . 5128 1 67 . 1 1 21 21 ILE H H 1 8.16 0.07 . 1 . . . . . . . . 5128 1 68 . 1 1 21 21 ILE HA H 1 3.67 0.07 . 1 . . . . . . . . 5128 1 69 . 1 1 21 21 ILE HB H 1 1.69 0.07 . 4 . . . . . . . . 5128 1 70 . 1 1 21 21 ILE HG12 H 1 1.08 0.07 . 4 . . . . . . . . 5128 1 71 . 1 1 21 21 ILE HG13 H 1 1.08 0.07 . 4 . . . . . . . . 5128 1 72 . 1 1 21 21 ILE HG21 H 1 1.44 0.07 . 4 . . . . . . . . 5128 1 73 . 1 1 21 21 ILE HG22 H 1 1.44 0.07 . 4 . . . . . . . . 5128 1 74 . 1 1 21 21 ILE HG23 H 1 1.44 0.07 . 4 . . . . . . . . 5128 1 75 . 1 1 21 21 ILE HD11 H 1 0.76 0.07 . 4 . . . . . . . . 5128 1 76 . 1 1 21 21 ILE HD12 H 1 0.76 0.07 . 4 . . . . . . . . 5128 1 77 . 1 1 21 21 ILE HD13 H 1 0.76 0.07 . 4 . . . . . . . . 5128 1 78 . 1 1 21 21 ILE CA C 13 64.62 0.74 . 1 . . . . . . . . 5128 1 79 . 1 1 21 21 ILE CB C 13 38.20 0.74 . 1 . . . . . . . . 5128 1 80 . 1 1 21 21 ILE N N 15 121.06 0.43 . 1 . . . . . . . . 5128 1 81 . 1 1 22 22 ARG H H 1 7.63 0.07 . 1 . . . . . . . . 5128 1 82 . 1 1 22 22 ARG HA H 1 3.89 0.07 . 1 . . . . . . . . 5128 1 83 . 1 1 22 22 ARG HB2 H 1 1.52 0.07 . 4 . . . . . . . . 5128 1 84 . 1 1 22 22 ARG HB3 H 1 1.52 0.07 . 4 . . . . . . . . 5128 1 85 . 1 1 22 22 ARG HG2 H 1 0.77 0.07 . 4 . . . . . . . . 5128 1 86 . 1 1 22 22 ARG HG3 H 1 0.77 0.07 . 4 . . . . . . . . 5128 1 87 . 1 1 22 22 ARG HD2 H 1 3.13 0.07 . 4 . . . . . . . . 5128 1 88 . 1 1 22 22 ARG HD3 H 1 3.13 0.07 . 4 . . . . . . . . 5128 1 89 . 1 1 22 22 ARG CA C 13 56.10 0.74 . 1 . . . . . . . . 5128 1 90 . 1 1 22 22 ARG CB C 13 27.88 0.74 . 1 . . . . . . . . 5128 1 91 . 1 1 22 22 ARG N N 15 119.23 0.43 . 1 . . . . . . . . 5128 1 92 . 1 1 23 23 LYS H H 1 7.27 0.07 . 1 . . . . . . . . 5128 1 93 . 1 1 23 23 LYS HA H 1 3.84 0.07 . 1 . . . . . . . . 5128 1 94 . 1 1 23 23 LYS HB2 H 1 1.62 0.07 . 4 . . . . . . . . 5128 1 95 . 1 1 23 23 LYS HB3 H 1 1.62 0.07 . 4 . . . . . . . . 5128 1 96 . 1 1 23 23 LYS HG2 H 1 1.28 0.07 . 4 . . . . . . . . 5128 1 97 . 1 1 23 23 LYS HG3 H 1 1.28 0.07 . 4 . . . . . . . . 5128 1 98 . 1 1 23 23 LYS HD2 H 1 1.28 0.07 . 4 . . . . . . . . 5128 1 99 . 1 1 23 23 LYS HD3 H 1 1.28 0.07 . 4 . . . . . . . . 5128 1 100 . 1 1 23 23 LYS HE2 H 1 2.72 0.07 . 4 . . . . . . . . 5128 1 101 . 1 1 23 23 LYS HE3 H 1 2.72 0.07 . 4 . . . . . . . . 5128 1 102 . 1 1 23 23 LYS CA C 13 57.96 0.74 . 1 . . . . . . . . 5128 1 103 . 1 1 23 23 LYS CB C 13 32.62 0.74 . 1 . . . . . . . . 5128 1 104 . 1 1 23 23 LYS N N 15 116.74 0.43 . 1 . . . . . . . . 5128 1 105 . 1 1 24 24 LYS H H 1 7.57 0.07 . 1 . . . . . . . . 5128 1 106 . 1 1 24 24 LYS HA H 1 3.67 0.07 . 1 . . . . . . . . 5128 1 107 . 1 1 24 24 LYS HB2 H 1 1.33 0.07 . 4 . . . . . . . . 5128 1 108 . 1 1 24 24 LYS HB3 H 1 1.33 0.07 . 4 . . . . . . . . 5128 1 109 . 1 1 24 24 LYS HG2 H 1 0.92 0.07 . 4 . . . . . . . . 5128 1 110 . 1 1 24 24 LYS HG3 H 1 0.92 0.07 . 4 . . . . . . . . 5128 1 111 . 1 1 24 24 LYS HD2 H 1 0.76 0.07 . 4 . . . . . . . . 5128 1 112 . 1 1 24 24 LYS HD3 H 1 0.76 0.07 . 4 . . . . . . . . 5128 1 113 . 1 1 24 24 LYS HE2 H 1 2.64 0.07 . 4 . . . . . . . . 5128 1 114 . 1 1 24 24 LYS HE3 H 1 2.64 0.07 . 4 . . . . . . . . 5128 1 115 . 1 1 24 24 LYS CA C 13 58.15 0.74 . 1 . . . . . . . . 5128 1 116 . 1 1 24 24 LYS CB C 13 33.40 0.74 . 1 . . . . . . . . 5128 1 117 . 1 1 24 24 LYS N N 15 118.74 0.43 . 1 . . . . . . . . 5128 1 118 . 1 1 25 25 TYR H H 1 7.92 0.07 . 1 . . . . . . . . 5128 1 119 . 1 1 25 25 TYR HA H 1 4.98 0.07 . 1 . . . . . . . . 5128 1 120 . 1 1 25 25 TYR HB2 H 1 2.79 0.07 . 2 . . . . . . . . 5128 1 121 . 1 1 25 25 TYR HB3 H 1 2.53 0.07 . 2 . . . . . . . . 5128 1 122 . 1 1 25 25 TYR CA C 13 53.54 0.74 . 1 . . . . . . . . 5128 1 123 . 1 1 25 25 TYR CB C 13 38.32 0.74 . 1 . . . . . . . . 5128 1 124 . 1 1 25 25 TYR N N 15 115.06 0.43 . 1 . . . . . . . . 5128 1 125 . 1 1 26 26 PRO HA H 1 4.33 0.07 . 1 . . . . . . . . 5128 1 126 . 1 1 26 26 PRO HB2 H 1 2.16 0.07 . 4 . . . . . . . . 5128 1 127 . 1 1 26 26 PRO HB3 H 1 2.16 0.07 . 4 . . . . . . . . 5128 1 128 . 1 1 26 26 PRO HG2 H 1 1.80 0.07 . 4 . . . . . . . . 5128 1 129 . 1 1 26 26 PRO HG3 H 1 1.80 0.07 . 4 . . . . . . . . 5128 1 130 . 1 1 26 26 PRO HD2 H 1 3.50 0.07 . 4 . . . . . . . . 5128 1 131 . 1 1 26 26 PRO HD3 H 1 3.50 0.07 . 4 . . . . . . . . 5128 1 132 . 1 1 26 26 PRO CA C 13 64.51 0.74 . 1 . . . . . . . . 5128 1 133 . 1 1 26 26 PRO CB C 13 31.73 0.74 . 1 . . . . . . . . 5128 1 134 . 1 1 27 27 ASP H H 1 8.45 0.07 . 1 . . . . . . . . 5128 1 135 . 1 1 27 27 ASP HA H 1 4.54 0.07 . 1 . . . . . . . . 5128 1 136 . 1 1 27 27 ASP HB2 H 1 2.53 0.07 . 2 . . . . . . . . 5128 1 137 . 1 1 27 27 ASP HB3 H 1 2.75 0.07 . 2 . . . . . . . . 5128 1 138 . 1 1 27 27 ASP CA C 13 52.94 0.74 . 1 . . . . . . . . 5128 1 139 . 1 1 27 27 ASP CB C 13 40.24 0.74 . 1 . . . . . . . . 5128 1 140 . 1 1 27 27 ASP N N 15 115.02 0.43 . 1 . . . . . . . . 5128 1 141 . 1 1 28 28 ARG H H 1 7.69 0.07 . 1 . . . . . . . . 5128 1 142 . 1 1 28 28 ARG HA H 1 4.79 0.07 . 1 . . . . . . . . 5128 1 143 . 1 1 28 28 ARG HB2 H 1 1.29 0.07 . 4 . . . . . . . . 5128 1 144 . 1 1 28 28 ARG HB3 H 1 1.29 0.07 . 4 . . . . . . . . 5128 1 145 . 1 1 28 28 ARG HG2 H 1 1.03 0.07 . 4 . . . . . . . . 5128 1 146 . 1 1 28 28 ARG HG3 H 1 1.03 0.07 . 4 . . . . . . . . 5128 1 147 . 1 1 28 28 ARG HD2 H 1 2.28 0.07 . 4 . . . . . . . . 5128 1 148 . 1 1 28 28 ARG HD3 H 1 2.53 0.07 . 4 . . . . . . . . 5128 1 149 . 1 1 28 28 ARG CA C 13 53.71 0.74 . 1 . . . . . . . . 5128 1 150 . 1 1 28 28 ARG CB C 13 33.98 0.74 . 1 . . . . . . . . 5128 1 151 . 1 1 28 28 ARG N N 15 119.26 0.43 . 1 . . . . . . . . 5128 1 152 . 1 1 29 29 VAL H H 1 9.02 0.07 . 1 . . . . . . . . 5128 1 153 . 1 1 29 29 VAL HA H 1 4.05 0.07 . 1 . . . . . . . . 5128 1 154 . 1 1 29 29 VAL HB H 1 1.30 0.07 . 4 . . . . . . . . 5128 1 155 . 1 1 29 29 VAL HG11 H 1 0.30 0.07 . 4 . . . . . . . . 5128 1 156 . 1 1 29 29 VAL HG12 H 1 0.30 0.07 . 4 . . . . . . . . 5128 1 157 . 1 1 29 29 VAL HG13 H 1 0.30 0.07 . 4 . . . . . . . . 5128 1 158 . 1 1 29 29 VAL CA C 13 57.08 0.74 . 1 . . . . . . . . 5128 1 159 . 1 1 29 29 VAL CB C 13 33.91 0.74 . 1 . . . . . . . . 5128 1 160 . 1 1 29 29 VAL N N 15 116.24 0.43 . 1 . . . . . . . . 5128 1 161 . 1 1 30 30 PRO HA H 1 5.00 0.07 . 1 . . . . . . . . 5128 1 162 . 1 1 30 30 PRO HB2 H 1 2.39 0.07 . 4 . . . . . . . . 5128 1 163 . 1 1 30 30 PRO HB3 H 1 2.39 0.07 . 4 . . . . . . . . 5128 1 164 . 1 1 30 30 PRO HG2 H 1 2.14 0.07 . 4 . . . . . . . . 5128 1 165 . 1 1 30 30 PRO HG3 H 1 2.14 0.07 . 4 . . . . . . . . 5128 1 166 . 1 1 30 30 PRO CA C 13 60.95 0.74 . 1 . . . . . . . . 5128 1 167 . 1 1 30 30 PRO CB C 13 31.44 0.74 . 1 . . . . . . . . 5128 1 168 . 1 1 31 31 VAL H H 1 8.75 0.07 . 1 . . . . . . . . 5128 1 169 . 1 1 31 31 VAL HA H 1 4.99 0.07 . 1 . . . . . . . . 5128 1 170 . 1 1 31 31 VAL HB H 1 1.60 0.07 . 4 . . . . . . . . 5128 1 171 . 1 1 31 31 VAL HG11 H 1 0.46 0.07 . 4 . . . . . . . . 5128 1 172 . 1 1 31 31 VAL HG12 H 1 0.46 0.07 . 4 . . . . . . . . 5128 1 173 . 1 1 31 31 VAL HG13 H 1 0.46 0.07 . 4 . . . . . . . . 5128 1 174 . 1 1 31 31 VAL HG21 H 1 0.73 0.07 . 4 . . . . . . . . 5128 1 175 . 1 1 31 31 VAL HG22 H 1 0.73 0.07 . 4 . . . . . . . . 5128 1 176 . 1 1 31 31 VAL HG23 H 1 0.73 0.07 . 4 . . . . . . . . 5128 1 177 . 1 1 31 31 VAL CA C 13 59.17 0.74 . 1 . . . . . . . . 5128 1 178 . 1 1 31 31 VAL CB C 13 36.10 0.74 . 1 . . . . . . . . 5128 1 179 . 1 1 31 31 VAL N N 15 123.47 0.43 . 1 . . . . . . . . 5128 1 180 . 1 1 32 32 ILE H H 1 8.65 0.07 . 1 . . . . . . . . 5128 1 181 . 1 1 32 32 ILE HA H 1 4.81 0.07 . 1 . . . . . . . . 5128 1 182 . 1 1 32 32 ILE HB H 1 1.14 0.07 . 4 . . . . . . . . 5128 1 183 . 1 1 32 32 ILE HG12 H 1 0.51 0.07 . 4 . . . . . . . . 5128 1 184 . 1 1 32 32 ILE HG13 H 1 0.51 0.07 . 4 . . . . . . . . 5128 1 185 . 1 1 32 32 ILE HG21 H 1 0.54 0.07 . 4 . . . . . . . . 5128 1 186 . 1 1 32 32 ILE HG22 H 1 0.54 0.07 . 4 . . . . . . . . 5128 1 187 . 1 1 32 32 ILE HG23 H 1 0.54 0.07 . 4 . . . . . . . . 5128 1 188 . 1 1 32 32 ILE HD11 H 1 -0.68 0.07 . 4 . . . . . . . . 5128 1 189 . 1 1 32 32 ILE HD12 H 1 -0.68 0.07 . 4 . . . . . . . . 5128 1 190 . 1 1 32 32 ILE HD13 H 1 -0.68 0.07 . 4 . . . . . . . . 5128 1 191 . 1 1 32 32 ILE CA C 13 56.82 0.74 . 1 . . . . . . . . 5128 1 192 . 1 1 32 32 ILE CB C 13 36.44 0.74 . 1 . . . . . . . . 5128 1 193 . 1 1 32 32 ILE N N 15 128.09 0.43 . 1 . . . . . . . . 5128 1 194 . 1 1 33 33 VAL H H 1 8.96 0.07 . 1 . . . . . . . . 5128 1 195 . 1 1 33 33 VAL HA H 1 5.62 0.07 . 1 . . . . . . . . 5128 1 196 . 1 1 33 33 VAL HB H 1 1.92 0.07 . 4 . . . . . . . . 5128 1 197 . 1 1 33 33 VAL HG11 H 1 0.72 0.07 . 4 . . . . . . . . 5128 1 198 . 1 1 33 33 VAL HG12 H 1 0.72 0.07 . 4 . . . . . . . . 5128 1 199 . 1 1 33 33 VAL HG13 H 1 0.72 0.07 . 4 . . . . . . . . 5128 1 200 . 1 1 33 33 VAL HG21 H 1 0.78 0.07 . 4 . . . . . . . . 5128 1 201 . 1 1 33 33 VAL HG22 H 1 0.78 0.07 . 4 . . . . . . . . 5128 1 202 . 1 1 33 33 VAL HG23 H 1 0.78 0.07 . 4 . . . . . . . . 5128 1 203 . 1 1 33 33 VAL CA C 13 59.80 0.74 . 1 . . . . . . . . 5128 1 204 . 1 1 33 33 VAL CB C 13 33.79 0.74 . 1 . . . . . . . . 5128 1 205 . 1 1 33 33 VAL N N 15 126.57 0.43 . 1 . . . . . . . . 5128 1 206 . 1 1 34 34 GLU H H 1 8.56 0.07 . 1 . . . . . . . . 5128 1 207 . 1 1 34 34 GLU HA H 1 4.85 0.07 . 1 . . . . . . . . 5128 1 208 . 1 1 34 34 GLU HB2 H 1 1.75 0.07 . 4 . . . . . . . . 5128 1 209 . 1 1 34 34 GLU HB3 H 1 1.75 0.07 . 4 . . . . . . . . 5128 1 210 . 1 1 34 34 GLU HG2 H 1 2.48 0.07 . 4 . . . . . . . . 5128 1 211 . 1 1 34 34 GLU HG3 H 1 2.48 0.07 . 4 . . . . . . . . 5128 1 212 . 1 1 34 34 GLU CA C 13 54.56 0.74 . 1 . . . . . . . . 5128 1 213 . 1 1 34 34 GLU CB C 13 36.16 0.74 . 1 . . . . . . . . 5128 1 214 . 1 1 34 34 GLU N N 15 121.27 0.43 . 1 . . . . . . . . 5128 1 215 . 1 1 35 35 LYS H H 1 8.77 0.07 . 1 . . . . . . . . 5128 1 216 . 1 1 35 35 LYS HA H 1 2.94 0.07 . 1 . . . . . . . . 5128 1 217 . 1 1 35 35 LYS HB2 H 1 1.45 0.07 . 4 . . . . . . . . 5128 1 218 . 1 1 35 35 LYS HB3 H 1 1.45 0.07 . 4 . . . . . . . . 5128 1 219 . 1 1 35 35 LYS HG2 H 1 0.75 0.07 . 4 . . . . . . . . 5128 1 220 . 1 1 35 35 LYS HG3 H 1 0.75 0.07 . 4 . . . . . . . . 5128 1 221 . 1 1 35 35 LYS HE2 H 1 2.17 0.07 . 4 . . . . . . . . 5128 1 222 . 1 1 35 35 LYS HE3 H 1 2.17 0.07 . 4 . . . . . . . . 5128 1 223 . 1 1 35 35 LYS CA C 13 56.05 0.74 . 1 . . . . . . . . 5128 1 224 . 1 1 35 35 LYS CB C 13 32.68 0.74 . 1 . . . . . . . . 5128 1 225 . 1 1 35 35 LYS N N 15 123.41 0.43 . 1 . . . . . . . . 5128 1 226 . 1 1 36 36 ALA H H 1 8.79 0.07 . 1 . . . . . . . . 5128 1 227 . 1 1 36 36 ALA HA H 1 4.30 0.07 . 1 . . . . . . . . 5128 1 228 . 1 1 36 36 ALA HB1 H 1 1.08 0.07 . 1 . . . . . . . . 5128 1 229 . 1 1 36 36 ALA HB2 H 1 1.08 0.07 . 1 . . . . . . . . 5128 1 230 . 1 1 36 36 ALA HB3 H 1 1.08 0.07 . 1 . . . . . . . . 5128 1 231 . 1 1 36 36 ALA CA C 13 50.69 0.74 . 1 . . . . . . . . 5128 1 232 . 1 1 36 36 ALA CB C 13 17.70 0.74 . 1 . . . . . . . . 5128 1 233 . 1 1 36 36 ALA N N 15 130.27 0.43 . 1 . . . . . . . . 5128 1 234 . 1 1 37 37 PRO HA H 1 4.12 0.07 . 1 . . . . . . . . 5128 1 235 . 1 1 37 37 PRO HB2 H 1 2.18 0.07 . 4 . . . . . . . . 5128 1 236 . 1 1 37 37 PRO HB3 H 1 2.18 0.07 . 4 . . . . . . . . 5128 1 237 . 1 1 37 37 PRO HG2 H 1 1.65 0.07 . 4 . . . . . . . . 5128 1 238 . 1 1 37 37 PRO HG3 H 1 1.89 0.07 . 4 . . . . . . . . 5128 1 239 . 1 1 37 37 PRO HD2 H 1 3.09 0.07 . 4 . . . . . . . . 5128 1 240 . 1 1 37 37 PRO HD3 H 1 3.09 0.07 . 4 . . . . . . . . 5128 1 241 . 1 1 37 37 PRO CA C 13 64.75 0.74 . 1 . . . . . . . . 5128 1 242 . 1 1 37 37 PRO CB C 13 31.91 0.74 . 1 . . . . . . . . 5128 1 243 . 1 1 38 38 LYS H H 1 8.33 0.07 . 1 . . . . . . . . 5128 1 244 . 1 1 38 38 LYS HA H 1 3.92 0.07 . 1 . . . . . . . . 5128 1 245 . 1 1 38 38 LYS HB2 H 1 1.73 0.07 . 4 . . . . . . . . 5128 1 246 . 1 1 38 38 LYS HB3 H 1 1.73 0.07 . 4 . . . . . . . . 5128 1 247 . 1 1 38 38 LYS HG2 H 1 1.45 0.07 . 4 . . . . . . . . 5128 1 248 . 1 1 38 38 LYS HG3 H 1 1.45 0.07 . 4 . . . . . . . . 5128 1 249 . 1 1 38 38 LYS HD2 H 1 1.16 0.07 . 4 . . . . . . . . 5128 1 250 . 1 1 38 38 LYS HD3 H 1 1.16 0.07 . 4 . . . . . . . . 5128 1 251 . 1 1 38 38 LYS HE2 H 1 2.75 0.07 . 4 . . . . . . . . 5128 1 252 . 1 1 38 38 LYS HE3 H 1 2.75 0.07 . 4 . . . . . . . . 5128 1 253 . 1 1 38 38 LYS CA C 13 56.68 0.74 . 1 . . . . . . . . 5128 1 254 . 1 1 38 38 LYS CB C 13 31.19 0.74 . 1 . . . . . . . . 5128 1 255 . 1 1 38 38 LYS N N 15 114.40 0.43 . 1 . . . . . . . . 5128 1 256 . 1 1 39 39 ALA H H 1 7.33 0.07 . 1 . . . . . . . . 5128 1 257 . 1 1 39 39 ALA HA H 1 4.35 0.07 . 1 . . . . . . . . 5128 1 258 . 1 1 39 39 ALA HB1 H 1 1.49 0.07 . 1 . . . . . . . . 5128 1 259 . 1 1 39 39 ALA HB2 H 1 1.49 0.07 . 1 . . . . . . . . 5128 1 260 . 1 1 39 39 ALA HB3 H 1 1.49 0.07 . 1 . . . . . . . . 5128 1 261 . 1 1 39 39 ALA CA C 13 52.82 0.74 . 1 . . . . . . . . 5128 1 262 . 1 1 39 39 ALA CB C 13 20.50 0.74 . 1 . . . . . . . . 5128 1 263 . 1 1 39 39 ALA N N 15 122.00 0.43 . 1 . . . . . . . . 5128 1 264 . 1 1 40 40 ARG H H 1 9.05 0.07 . 1 . . . . . . . . 5128 1 265 . 1 1 40 40 ARG HA H 1 4.36 0.07 . 1 . . . . . . . . 5128 1 266 . 1 1 40 40 ARG HB2 H 1 1.84 0.07 . 4 . . . . . . . . 5128 1 267 . 1 1 40 40 ARG HB3 H 1 1.84 0.07 . 4 . . . . . . . . 5128 1 268 . 1 1 40 40 ARG HG2 H 1 1.63 0.07 . 4 . . . . . . . . 5128 1 269 . 1 1 40 40 ARG HG3 H 1 1.63 0.07 . 4 . . . . . . . . 5128 1 270 . 1 1 40 40 ARG HD2 H 1 3.09 0.07 . 4 . . . . . . . . 5128 1 271 . 1 1 40 40 ARG HD3 H 1 3.09 0.07 . 4 . . . . . . . . 5128 1 272 . 1 1 40 40 ARG CA C 13 55.68 0.74 . 1 . . . . . . . . 5128 1 273 . 1 1 40 40 ARG CB C 13 29.28 0.74 . 1 . . . . . . . . 5128 1 274 . 1 1 40 40 ARG N N 15 124.77 0.43 . 1 . . . . . . . . 5128 1 275 . 1 1 41 41 ILE H H 1 6.81 0.07 . 1 . . . . . . . . 5128 1 276 . 1 1 41 41 ILE HA H 1 4.32 0.07 . 1 . . . . . . . . 5128 1 277 . 1 1 41 41 ILE HB H 1 1.95 0.07 . 4 . . . . . . . . 5128 1 278 . 1 1 41 41 ILE HG12 H 1 1.34 0.07 . 4 . . . . . . . . 5128 1 279 . 1 1 41 41 ILE HG13 H 1 1.34 0.07 . 4 . . . . . . . . 5128 1 280 . 1 1 41 41 ILE HD11 H 1 1.00 0.07 . 4 . . . . . . . . 5128 1 281 . 1 1 41 41 ILE HD12 H 1 1.00 0.07 . 4 . . . . . . . . 5128 1 282 . 1 1 41 41 ILE HD13 H 1 1.00 0.07 . 4 . . . . . . . . 5128 1 283 . 1 1 41 41 ILE CA C 13 60.16 0.74 . 1 . . . . . . . . 5128 1 284 . 1 1 41 41 ILE CB C 13 40.34 0.74 . 1 . . . . . . . . 5128 1 285 . 1 1 41 41 ILE N N 15 115.27 0.43 . 1 . . . . . . . . 5128 1 286 . 1 1 42 42 GLY H H 1 8.18 0.07 . 1 . . . . . . . . 5128 1 287 . 1 1 42 42 GLY HA2 H 1 3.74 0.07 . 2 . . . . . . . . 5128 1 288 . 1 1 42 42 GLY HA3 H 1 3.96 0.07 . 2 . . . . . . . . 5128 1 289 . 1 1 42 42 GLY CA C 13 45.34 0.74 . 1 . . . . . . . . 5128 1 290 . 1 1 42 42 GLY N N 15 107.80 0.43 . 1 . . . . . . . . 5128 1 291 . 1 1 43 43 ASP H H 1 8.22 0.07 . 1 . . . . . . . . 5128 1 292 . 1 1 43 43 ASP HA H 1 4.66 0.07 . 1 . . . . . . . . 5128 1 293 . 1 1 43 43 ASP HB2 H 1 2.41 0.07 . 2 . . . . . . . . 5128 1 294 . 1 1 43 43 ASP HB3 H 1 2.62 0.07 . 2 . . . . . . . . 5128 1 295 . 1 1 43 43 ASP CA C 13 54.01 0.74 . 1 . . . . . . . . 5128 1 296 . 1 1 43 43 ASP CB C 13 42.75 0.74 . 1 . . . . . . . . 5128 1 297 . 1 1 43 43 ASP N N 15 118.67 0.43 . 1 . . . . . . . . 5128 1 298 . 1 1 44 44 LEU H H 1 8.01 0.07 . 1 . . . . . . . . 5128 1 299 . 1 1 44 44 LEU HA H 1 4.29 0.07 . 1 . . . . . . . . 5128 1 300 . 1 1 44 44 LEU HB2 H 1 1.70 0.07 . 4 . . . . . . . . 5128 1 301 . 1 1 44 44 LEU HB3 H 1 1.70 0.07 . 4 . . . . . . . . 5128 1 302 . 1 1 44 44 LEU HG H 1 1.59 0.07 . 4 . . . . . . . . 5128 1 303 . 1 1 44 44 LEU HD11 H 1 0.81 0.07 . 4 . . . . . . . . 5128 1 304 . 1 1 44 44 LEU HD12 H 1 0.81 0.07 . 4 . . . . . . . . 5128 1 305 . 1 1 44 44 LEU HD13 H 1 0.81 0.07 . 4 . . . . . . . . 5128 1 306 . 1 1 44 44 LEU CA C 13 53.99 0.74 . 1 . . . . . . . . 5128 1 307 . 1 1 44 44 LEU CB C 13 44.58 0.74 . 1 . . . . . . . . 5128 1 308 . 1 1 44 44 LEU N N 15 123.36 0.43 . 1 . . . . . . . . 5128 1 309 . 1 1 45 45 ASP H H 1 8.57 0.07 . 1 . . . . . . . . 5128 1 310 . 1 1 45 45 ASP HA H 1 4.26 0.07 . 1 . . . . . . . . 5128 1 311 . 1 1 45 45 ASP HB2 H 1 2.69 0.07 . 1 . . . . . . . . 5128 1 312 . 1 1 45 45 ASP HB3 H 1 2.69 0.07 . 1 . . . . . . . . 5128 1 313 . 1 1 45 45 ASP CA C 13 55.17 0.74 . 1 . . . . . . . . 5128 1 314 . 1 1 45 45 ASP CB C 13 39.74 0.74 . 1 . . . . . . . . 5128 1 315 . 1 1 45 45 ASP N N 15 122.27 0.43 . 1 . . . . . . . . 5128 1 316 . 1 1 46 46 LYS H H 1 7.31 0.07 . 1 . . . . . . . . 5128 1 317 . 1 1 46 46 LYS HA H 1 4.35 0.07 . 1 . . . . . . . . 5128 1 318 . 1 1 46 46 LYS HB2 H 1 1.72 0.07 . 4 . . . . . . . . 5128 1 319 . 1 1 46 46 LYS HB3 H 1 1.72 0.07 . 4 . . . . . . . . 5128 1 320 . 1 1 46 46 LYS HD2 H 1 1.53 0.07 . 4 . . . . . . . . 5128 1 321 . 1 1 46 46 LYS HD3 H 1 1.53 0.07 . 4 . . . . . . . . 5128 1 322 . 1 1 46 46 LYS HE2 H 1 2.46 0.07 . 4 . . . . . . . . 5128 1 323 . 1 1 46 46 LYS HE3 H 1 2.46 0.07 . 4 . . . . . . . . 5128 1 324 . 1 1 46 46 LYS CA C 13 55.28 0.74 . 1 . . . . . . . . 5128 1 325 . 1 1 46 46 LYS CB C 13 34.35 0.74 . 1 . . . . . . . . 5128 1 326 . 1 1 46 46 LYS N N 15 120.44 0.43 . 1 . . . . . . . . 5128 1 327 . 1 1 47 47 LYS H H 1 8.47 0.07 . 1 . . . . . . . . 5128 1 328 . 1 1 47 47 LYS HA H 1 4.91 0.07 . 1 . . . . . . . . 5128 1 329 . 1 1 47 47 LYS HB2 H 1 2.03 0.07 . 4 . . . . . . . . 5128 1 330 . 1 1 47 47 LYS HB3 H 1 2.03 0.07 . 4 . . . . . . . . 5128 1 331 . 1 1 47 47 LYS HG2 H 1 1.47 0.07 . 4 . . . . . . . . 5128 1 332 . 1 1 47 47 LYS HG3 H 1 1.47 0.07 . 4 . . . . . . . . 5128 1 333 . 1 1 47 47 LYS HD2 H 1 1.80 0.07 . 4 . . . . . . . . 5128 1 334 . 1 1 47 47 LYS HD3 H 1 1.80 0.07 . 4 . . . . . . . . 5128 1 335 . 1 1 47 47 LYS HE2 H 1 3.06 0.07 . 4 . . . . . . . . 5128 1 336 . 1 1 47 47 LYS HE3 H 1 3.06 0.07 . 4 . . . . . . . . 5128 1 337 . 1 1 47 47 LYS CA C 13 56.59 0.74 . 1 . . . . . . . . 5128 1 338 . 1 1 47 47 LYS CB C 13 34.66 0.74 . 1 . . . . . . . . 5128 1 339 . 1 1 47 47 LYS N N 15 123.24 0.43 . 1 . . . . . . . . 5128 1 340 . 1 1 48 48 LYS H H 1 6.79 0.07 . 1 . . . . . . . . 5128 1 341 . 1 1 48 48 LYS HA H 1 4.99 0.07 . 1 . . . . . . . . 5128 1 342 . 1 1 48 48 LYS HB2 H 1 1.21 0.07 . 4 . . . . . . . . 5128 1 343 . 1 1 48 48 LYS HB3 H 1 1.21 0.07 . 4 . . . . . . . . 5128 1 344 . 1 1 48 48 LYS HG2 H 1 1.51 0.07 . 4 . . . . . . . . 5128 1 345 . 1 1 48 48 LYS HG3 H 1 1.51 0.07 . 4 . . . . . . . . 5128 1 346 . 1 1 48 48 LYS HD2 H 1 0.85 0.07 . 4 . . . . . . . . 5128 1 347 . 1 1 48 48 LYS HD3 H 1 0.85 0.07 . 4 . . . . . . . . 5128 1 348 . 1 1 48 48 LYS HE2 H 1 2.59 0.07 . 4 . . . . . . . . 5128 1 349 . 1 1 48 48 LYS HE3 H 1 2.59 0.07 . 4 . . . . . . . . 5128 1 350 . 1 1 48 48 LYS CA C 13 54.97 0.74 . 1 . . . . . . . . 5128 1 351 . 1 1 48 48 LYS CB C 13 34.21 0.74 . 1 . . . . . . . . 5128 1 352 . 1 1 48 48 LYS N N 15 118.98 0.43 . 1 . . . . . . . . 5128 1 353 . 1 1 49 49 TYR H H 1 9.39 0.07 . 1 . . . . . . . . 5128 1 354 . 1 1 49 49 TYR HA H 1 4.32 0.07 . 1 . . . . . . . . 5128 1 355 . 1 1 49 49 TYR HB2 H 1 2.52 0.07 . 2 . . . . . . . . 5128 1 356 . 1 1 49 49 TYR HB3 H 1 2.71 0.07 . 2 . . . . . . . . 5128 1 357 . 1 1 49 49 TYR CA C 13 57.15 0.74 . 1 . . . . . . . . 5128 1 358 . 1 1 49 49 TYR CB C 13 42.44 0.74 . 1 . . . . . . . . 5128 1 359 . 1 1 49 49 TYR N N 15 125.06 0.43 . 1 . . . . . . . . 5128 1 360 . 1 1 50 50 LEU H H 1 8.51 0.07 . 1 . . . . . . . . 5128 1 361 . 1 1 50 50 LEU HA H 1 4.74 0.07 . 1 . . . . . . . . 5128 1 362 . 1 1 50 50 LEU HB2 H 1 1.21 0.07 . 4 . . . . . . . . 5128 1 363 . 1 1 50 50 LEU HB3 H 1 1.21 0.07 . 4 . . . . . . . . 5128 1 364 . 1 1 50 50 LEU HG H 1 0.92 0.07 . 4 . . . . . . . . 5128 1 365 . 1 1 50 50 LEU HD11 H 1 0.94 0.07 . 4 . . . . . . . . 5128 1 366 . 1 1 50 50 LEU HD12 H 1 0.94 0.07 . 4 . . . . . . . . 5128 1 367 . 1 1 50 50 LEU HD13 H 1 0.94 0.07 . 4 . . . . . . . . 5128 1 368 . 1 1 50 50 LEU HD21 H 1 0.32 0.07 . 4 . . . . . . . . 5128 1 369 . 1 1 50 50 LEU HD22 H 1 0.32 0.07 . 4 . . . . . . . . 5128 1 370 . 1 1 50 50 LEU HD23 H 1 0.32 0.07 . 4 . . . . . . . . 5128 1 371 . 1 1 50 50 LEU CA C 13 53.73 0.74 . 1 . . . . . . . . 5128 1 372 . 1 1 50 50 LEU CB C 13 42.27 0.74 . 1 . . . . . . . . 5128 1 373 . 1 1 50 50 LEU N N 15 124.75 0.43 . 1 . . . . . . . . 5128 1 374 . 1 1 51 51 VAL H H 1 8.30 0.07 . 1 . . . . . . . . 5128 1 375 . 1 1 51 51 VAL HB H 1 1.86 0.07 . 4 . . . . . . . . 5128 1 376 . 1 1 51 51 VAL HG11 H 1 0.45 0.07 . 4 . . . . . . . . 5128 1 377 . 1 1 51 51 VAL HG12 H 1 0.45 0.07 . 4 . . . . . . . . 5128 1 378 . 1 1 51 51 VAL HG13 H 1 0.45 0.07 . 4 . . . . . . . . 5128 1 379 . 1 1 51 51 VAL CA C 13 58.24 0.74 . 1 . . . . . . . . 5128 1 380 . 1 1 51 51 VAL CB C 13 42.30 0.74 . 1 . . . . . . . . 5128 1 381 . 1 1 51 51 VAL N N 15 121.30 0.43 . 1 . . . . . . . . 5128 1 382 . 1 1 52 52 PRO HA H 1 4.35 0.07 . 1 . . . . . . . . 5128 1 383 . 1 1 52 52 PRO HB2 H 1 2.42 0.07 . 4 . . . . . . . . 5128 1 384 . 1 1 52 52 PRO HB3 H 1 2.42 0.07 . 4 . . . . . . . . 5128 1 385 . 1 1 52 52 PRO HG2 H 1 2.08 0.07 . 4 . . . . . . . . 5128 1 386 . 1 1 52 52 PRO HG3 H 1 2.08 0.07 . 4 . . . . . . . . 5128 1 387 . 1 1 52 52 PRO HD2 H 1 3.71 0.07 . 4 . . . . . . . . 5128 1 388 . 1 1 52 52 PRO HD3 H 1 3.71 0.07 . 4 . . . . . . . . 5128 1 389 . 1 1 52 52 PRO CA C 13 63.52 0.74 . 1 . . . . . . . . 5128 1 390 . 1 1 52 52 PRO CB C 13 32.28 0.74 . 1 . . . . . . . . 5128 1 391 . 1 1 53 53 SER H H 1 8.24 0.07 . 1 . . . . . . . . 5128 1 392 . 1 1 53 53 SER HA H 1 3.57 0.07 . 1 . . . . . . . . 5128 1 393 . 1 1 53 53 SER HB2 H 1 3.59 0.07 . 4 . . . . . . . . 5128 1 394 . 1 1 53 53 SER HB3 H 1 3.59 0.07 . 4 . . . . . . . . 5128 1 395 . 1 1 53 53 SER CA C 13 60.93 0.74 . 1 . . . . . . . . 5128 1 396 . 1 1 53 53 SER CB C 13 62.98 0.74 . 1 . . . . . . . . 5128 1 397 . 1 1 53 53 SER N N 15 118.16 0.43 . 1 . . . . . . . . 5128 1 398 . 1 1 54 54 ASP H H 1 8.14 0.07 . 1 . . . . . . . . 5128 1 399 . 1 1 54 54 ASP HA H 1 4.41 0.07 . 1 . . . . . . . . 5128 1 400 . 1 1 54 54 ASP HB2 H 1 2.57 0.07 . 2 . . . . . . . . 5128 1 401 . 1 1 54 54 ASP HB3 H 1 2.69 0.07 . 2 . . . . . . . . 5128 1 402 . 1 1 54 54 ASP CA C 13 53.23 0.74 . 1 . . . . . . . . 5128 1 403 . 1 1 54 54 ASP CB C 13 40.09 0.74 . 1 . . . . . . . . 5128 1 404 . 1 1 54 54 ASP N N 15 115.19 0.43 . 1 . . . . . . . . 5128 1 405 . 1 1 55 55 LEU H H 1 7.33 0.07 . 1 . . . . . . . . 5128 1 406 . 1 1 55 55 LEU HA H 1 4.15 0.07 . 1 . . . . . . . . 5128 1 407 . 1 1 55 55 LEU HB2 H 1 1.88 0.07 . 4 . . . . . . . . 5128 1 408 . 1 1 55 55 LEU HB3 H 1 1.88 0.07 . 4 . . . . . . . . 5128 1 409 . 1 1 55 55 LEU HG H 1 1.59 0.07 . 4 . . . . . . . . 5128 1 410 . 1 1 55 55 LEU HD11 H 1 0.88 0.07 . 4 . . . . . . . . 5128 1 411 . 1 1 55 55 LEU HD12 H 1 0.88 0.07 . 4 . . . . . . . . 5128 1 412 . 1 1 55 55 LEU HD13 H 1 0.88 0.07 . 4 . . . . . . . . 5128 1 413 . 1 1 55 55 LEU HD21 H 1 1.37 0.07 . 4 . . . . . . . . 5128 1 414 . 1 1 55 55 LEU HD22 H 1 1.37 0.07 . 4 . . . . . . . . 5128 1 415 . 1 1 55 55 LEU HD23 H 1 1.37 0.07 . 4 . . . . . . . . 5128 1 416 . 1 1 55 55 LEU CA C 13 55.54 0.74 . 1 . . . . . . . . 5128 1 417 . 1 1 55 55 LEU CB C 13 43.50 0.74 . 1 . . . . . . . . 5128 1 418 . 1 1 55 55 LEU N N 15 123.62 0.43 . 1 . . . . . . . . 5128 1 419 . 1 1 56 56 THR H H 1 8.62 0.07 . 1 . . . . . . . . 5128 1 420 . 1 1 56 56 THR HA H 1 4.86 0.07 . 1 . . . . . . . . 5128 1 421 . 1 1 56 56 THR HB H 1 4.70 0.07 . 4 . . . . . . . . 5128 1 422 . 1 1 56 56 THR HG21 H 1 1.15 0.07 . 4 . . . . . . . . 5128 1 423 . 1 1 56 56 THR HG22 H 1 1.15 0.07 . 4 . . . . . . . . 5128 1 424 . 1 1 56 56 THR HG23 H 1 1.15 0.07 . 4 . . . . . . . . 5128 1 425 . 1 1 56 56 THR CA C 13 60.91 0.74 . 1 . . . . . . . . 5128 1 426 . 1 1 56 56 THR CB C 13 71.47 0.74 . 1 . . . . . . . . 5128 1 427 . 1 1 56 56 THR N N 15 116.58 0.43 . 1 . . . . . . . . 5128 1 428 . 1 1 57 57 VAL H H 1 9.00 0.07 . 1 . . . . . . . . 5128 1 429 . 1 1 57 57 VAL HA H 1 3.56 0.07 . 1 . . . . . . . . 5128 1 430 . 1 1 57 57 VAL HB H 1 2.28 0.07 . 4 . . . . . . . . 5128 1 431 . 1 1 57 57 VAL HG11 H 1 0.79 0.07 . 4 . . . . . . . . 5128 1 432 . 1 1 57 57 VAL HG12 H 1 0.79 0.07 . 4 . . . . . . . . 5128 1 433 . 1 1 57 57 VAL HG13 H 1 0.79 0.07 . 4 . . . . . . . . 5128 1 434 . 1 1 57 57 VAL CA C 13 66.55 0.74 . 1 . . . . . . . . 5128 1 435 . 1 1 57 57 VAL CB C 13 31.34 0.74 . 1 . . . . . . . . 5128 1 436 . 1 1 57 57 VAL N N 15 122.94 0.43 . 1 . . . . . . . . 5128 1 437 . 1 1 58 58 GLY H H 1 8.80 0.07 . 1 . . . . . . . . 5128 1 438 . 1 1 58 58 GLY HA2 H 1 3.80 0.07 . 2 . . . . . . . . 5128 1 439 . 1 1 58 58 GLY HA3 H 1 3.97 0.07 . 2 . . . . . . . . 5128 1 440 . 1 1 58 58 GLY CA C 13 47.63 0.74 . 1 . . . . . . . . 5128 1 441 . 1 1 58 58 GLY N N 15 105.34 0.43 . 1 . . . . . . . . 5128 1 442 . 1 1 59 59 GLN H H 1 8.01 0.07 . 1 . . . . . . . . 5128 1 443 . 1 1 59 59 GLN HA H 1 4.15 0.07 . 1 . . . . . . . . 5128 1 444 . 1 1 59 59 GLN HB2 H 1 2.39 0.07 . 4 . . . . . . . . 5128 1 445 . 1 1 59 59 GLN HB3 H 1 2.39 0.07 . 4 . . . . . . . . 5128 1 446 . 1 1 59 59 GLN CA C 13 58.70 0.74 . 1 . . . . . . . . 5128 1 447 . 1 1 59 59 GLN CB C 13 28.70 0.74 . 1 . . . . . . . . 5128 1 448 . 1 1 59 59 GLN N N 15 121.52 0.43 . 1 . . . . . . . . 5128 1 449 . 1 1 60 60 PHE H H 1 8.76 0.07 . 1 . . . . . . . . 5128 1 450 . 1 1 60 60 PHE HA H 1 4.34 0.07 . 1 . . . . . . . . 5128 1 451 . 1 1 60 60 PHE HB2 H 1 3.03 0.07 . 2 . . . . . . . . 5128 1 452 . 1 1 60 60 PHE HB3 H 1 3.16 0.07 . 2 . . . . . . . . 5128 1 453 . 1 1 60 60 PHE CA C 13 61.19 0.74 . 1 . . . . . . . . 5128 1 454 . 1 1 60 60 PHE CB C 13 39.30 0.74 . 1 . . . . . . . . 5128 1 455 . 1 1 60 60 PHE N N 15 125.56 0.43 . 1 . . . . . . . . 5128 1 456 . 1 1 61 61 TYR H H 1 9.02 0.07 . 1 . . . . . . . . 5128 1 457 . 1 1 61 61 TYR HA H 1 3.82 0.07 . 1 . . . . . . . . 5128 1 458 . 1 1 61 61 TYR HB2 H 1 2.62 0.07 . 2 . . . . . . . . 5128 1 459 . 1 1 61 61 TYR HB3 H 1 2.96 0.07 . 2 . . . . . . . . 5128 1 460 . 1 1 61 61 TYR CA C 13 61.45 0.74 . 1 . . . . . . . . 5128 1 461 . 1 1 61 61 TYR CB C 13 38.02 0.74 . 1 . . . . . . . . 5128 1 462 . 1 1 61 61 TYR N N 15 118.61 0.43 . 1 . . . . . . . . 5128 1 463 . 1 1 62 62 PHE H H 1 7.25 0.07 . 1 . . . . . . . . 5128 1 464 . 1 1 62 62 PHE HA H 1 3.90 0.07 . 1 . . . . . . . . 5128 1 465 . 1 1 62 62 PHE HB2 H 1 3.07 0.07 . 2 . . . . . . . . 5128 1 466 . 1 1 62 62 PHE HB3 H 1 3.17 0.07 . 2 . . . . . . . . 5128 1 467 . 1 1 62 62 PHE CA C 13 61.65 0.74 . 1 . . . . . . . . 5128 1 468 . 1 1 62 62 PHE CB C 13 38.52 0.74 . 1 . . . . . . . . 5128 1 469 . 1 1 62 62 PHE N N 15 116.86 0.43 . 1 . . . . . . . . 5128 1 470 . 1 1 63 63 LEU H H 1 7.45 0.07 . 1 . . . . . . . . 5128 1 471 . 1 1 63 63 LEU HA H 1 3.83 0.07 . 1 . . . . . . . . 5128 1 472 . 1 1 63 63 LEU HB2 H 1 1.68 0.07 . 4 . . . . . . . . 5128 1 473 . 1 1 63 63 LEU HB3 H 1 1.68 0.07 . 4 . . . . . . . . 5128 1 474 . 1 1 63 63 LEU HG H 1 1.52 0.07 . 4 . . . . . . . . 5128 1 475 . 1 1 63 63 LEU HD11 H 1 0.88 0.07 . 4 . . . . . . . . 5128 1 476 . 1 1 63 63 LEU HD12 H 1 0.88 0.07 . 4 . . . . . . . . 5128 1 477 . 1 1 63 63 LEU HD13 H 1 0.88 0.07 . 4 . . . . . . . . 5128 1 478 . 1 1 63 63 LEU HD21 H 1 0.72 0.07 . 4 . . . . . . . . 5128 1 479 . 1 1 63 63 LEU HD22 H 1 0.72 0.07 . 4 . . . . . . . . 5128 1 480 . 1 1 63 63 LEU HD23 H 1 0.72 0.07 . 4 . . . . . . . . 5128 1 481 . 1 1 63 63 LEU CA C 13 58.34 0.74 . 1 . . . . . . . . 5128 1 482 . 1 1 63 63 LEU CB C 13 42.09 0.74 . 1 . . . . . . . . 5128 1 483 . 1 1 63 63 LEU N N 15 120.19 0.43 . 1 . . . . . . . . 5128 1 484 . 1 1 64 64 ILE H H 1 7.72 0.07 . 1 . . . . . . . . 5128 1 485 . 1 1 64 64 ILE HA H 1 3.30 0.07 . 1 . . . . . . . . 5128 1 486 . 1 1 64 64 ILE HB H 1 1.66 0.07 . 4 . . . . . . . . 5128 1 487 . 1 1 64 64 ILE HG12 H 1 0.27 0.07 . 4 . . . . . . . . 5128 1 488 . 1 1 64 64 ILE HG13 H 1 0.27 0.07 . 4 . . . . . . . . 5128 1 489 . 1 1 64 64 ILE HG21 H 1 0.74 0.07 . 4 . . . . . . . . 5128 1 490 . 1 1 64 64 ILE HG22 H 1 0.74 0.07 . 4 . . . . . . . . 5128 1 491 . 1 1 64 64 ILE HG23 H 1 0.74 0.07 . 4 . . . . . . . . 5128 1 492 . 1 1 64 64 ILE HD11 H 1 -0.26 0.07 . 4 . . . . . . . . 5128 1 493 . 1 1 64 64 ILE HD12 H 1 -0.26 0.07 . 4 . . . . . . . . 5128 1 494 . 1 1 64 64 ILE HD13 H 1 -0.26 0.07 . 4 . . . . . . . . 5128 1 495 . 1 1 64 64 ILE CA C 13 61.29 0.74 . 1 . . . . . . . . 5128 1 496 . 1 1 64 64 ILE CB C 13 34.71 0.74 . 1 . . . . . . . . 5128 1 497 . 1 1 64 64 ILE N N 15 119.78 0.43 . 1 . . . . . . . . 5128 1 498 . 1 1 65 65 ARG H H 1 8.43 0.07 . 1 . . . . . . . . 5128 1 499 . 1 1 65 65 ARG HA H 1 3.28 0.07 . 1 . . . . . . . . 5128 1 500 . 1 1 65 65 ARG HB2 H 1 1.49 0.07 . 4 . . . . . . . . 5128 1 501 . 1 1 65 65 ARG HB3 H 1 1.49 0.07 . 4 . . . . . . . . 5128 1 502 . 1 1 65 65 ARG HG2 H 1 1.04 0.07 . 4 . . . . . . . . 5128 1 503 . 1 1 65 65 ARG HG3 H 1 1.04 0.07 . 4 . . . . . . . . 5128 1 504 . 1 1 65 65 ARG HD2 H 1 2.66 0.07 . 4 . . . . . . . . 5128 1 505 . 1 1 65 65 ARG HD3 H 1 2.66 0.07 . 4 . . . . . . . . 5128 1 506 . 1 1 65 65 ARG CA C 13 60.62 0.74 . 1 . . . . . . . . 5128 1 507 . 1 1 65 65 ARG CB C 13 30.18 0.74 . 1 . . . . . . . . 5128 1 508 . 1 1 65 65 ARG N N 15 118.68 0.43 . 1 . . . . . . . . 5128 1 509 . 1 1 66 66 LYS H H 1 7.21 0.07 . 1 . . . . . . . . 5128 1 510 . 1 1 66 66 LYS HA H 1 3.88 0.07 . 1 . . . . . . . . 5128 1 511 . 1 1 66 66 LYS HB2 H 1 1.63 0.07 . 4 . . . . . . . . 5128 1 512 . 1 1 66 66 LYS HB3 H 1 1.63 0.07 . 4 . . . . . . . . 5128 1 513 . 1 1 66 66 LYS HG2 H 1 1.23 0.07 . 4 . . . . . . . . 5128 1 514 . 1 1 66 66 LYS HG3 H 1 1.23 0.07 . 4 . . . . . . . . 5128 1 515 . 1 1 66 66 LYS HD2 H 1 1.48 0.07 . 4 . . . . . . . . 5128 1 516 . 1 1 66 66 LYS HD3 H 1 1.48 0.07 . 4 . . . . . . . . 5128 1 517 . 1 1 66 66 LYS HE2 H 1 2.72 0.07 . 4 . . . . . . . . 5128 1 518 . 1 1 66 66 LYS HE3 H 1 2.72 0.07 . 4 . . . . . . . . 5128 1 519 . 1 1 66 66 LYS CA C 13 58.34 0.74 . 1 . . . . . . . . 5128 1 520 . 1 1 66 66 LYS CB C 13 32.02 0.74 . 1 . . . . . . . . 5128 1 521 . 1 1 66 66 LYS N N 15 115.40 0.43 . 1 . . . . . . . . 5128 1 522 . 1 1 67 67 ARG H H 1 7.40 0.07 . 1 . . . . . . . . 5128 1 523 . 1 1 67 67 ARG HA H 1 3.88 0.07 . 1 . . . . . . . . 5128 1 524 . 1 1 67 67 ARG HB2 H 1 1.79 0.07 . 4 . . . . . . . . 5128 1 525 . 1 1 67 67 ARG HB3 H 1 1.79 0.07 . 4 . . . . . . . . 5128 1 526 . 1 1 67 67 ARG HG2 H 1 1.58 0.07 . 4 . . . . . . . . 5128 1 527 . 1 1 67 67 ARG HG3 H 1 1.58 0.07 . 4 . . . . . . . . 5128 1 528 . 1 1 67 67 ARG HD2 H 1 3.15 0.07 . 4 . . . . . . . . 5128 1 529 . 1 1 67 67 ARG HD3 H 1 3.15 0.07 . 4 . . . . . . . . 5128 1 530 . 1 1 67 67 ARG CA C 13 58.40 0.74 . 1 . . . . . . . . 5128 1 531 . 1 1 67 67 ARG CB C 13 30.57 0.74 . 1 . . . . . . . . 5128 1 532 . 1 1 67 67 ARG N N 15 118.80 0.43 . 1 . . . . . . . . 5128 1 533 . 1 1 68 68 ILE H H 1 7.38 0.07 . 1 . . . . . . . . 5128 1 534 . 1 1 68 68 ILE HA H 1 4.04 0.07 . 1 . . . . . . . . 5128 1 535 . 1 1 68 68 ILE HB H 1 1.62 0.07 . 4 . . . . . . . . 5128 1 536 . 1 1 68 68 ILE HG12 H 1 0.82 0.07 . 4 . . . . . . . . 5128 1 537 . 1 1 68 68 ILE HG13 H 1 0.82 0.07 . 4 . . . . . . . . 5128 1 538 . 1 1 68 68 ILE HG21 H 1 0.62 0.07 . 4 . . . . . . . . 5128 1 539 . 1 1 68 68 ILE HG22 H 1 0.62 0.07 . 4 . . . . . . . . 5128 1 540 . 1 1 68 68 ILE HG23 H 1 0.62 0.07 . 4 . . . . . . . . 5128 1 541 . 1 1 68 68 ILE HD11 H 1 0.33 0.07 . 4 . . . . . . . . 5128 1 542 . 1 1 68 68 ILE HD12 H 1 0.33 0.07 . 4 . . . . . . . . 5128 1 543 . 1 1 68 68 ILE HD13 H 1 0.33 0.07 . 4 . . . . . . . . 5128 1 544 . 1 1 68 68 ILE CA C 13 61.21 0.74 . 1 . . . . . . . . 5128 1 545 . 1 1 68 68 ILE CB C 13 38.26 0.74 . 1 . . . . . . . . 5128 1 546 . 1 1 68 68 ILE N N 15 112.44 0.43 . 1 . . . . . . . . 5128 1 547 . 1 1 69 69 HIS H H 1 7.38 0.07 . 1 . . . . . . . . 5128 1 548 . 1 1 69 69 HIS HA H 1 4.10 0.07 . 1 . . . . . . . . 5128 1 549 . 1 1 69 69 HIS HB2 H 1 3.16 0.07 . 2 . . . . . . . . 5128 1 550 . 1 1 69 69 HIS HB3 H 1 3.38 0.07 . 2 . . . . . . . . 5128 1 551 . 1 1 69 69 HIS CA C 13 46.01 0.74 . 1 . . . . . . . . 5128 1 552 . 1 1 69 69 HIS CB C 13 25.82 0.74 . 1 . . . . . . . . 5128 1 553 . 1 1 69 69 HIS N N 15 115.42 0.43 . 1 . . . . . . . . 5128 1 554 . 1 1 70 70 LEU H H 1 7.67 0.07 . 1 . . . . . . . . 5128 1 555 . 1 1 70 70 LEU HA H 1 4.36 0.07 . 1 . . . . . . . . 5128 1 556 . 1 1 70 70 LEU HB2 H 1 1.58 0.07 . 4 . . . . . . . . 5128 1 557 . 1 1 70 70 LEU HB3 H 1 1.58 0.07 . 4 . . . . . . . . 5128 1 558 . 1 1 70 70 LEU HG H 1 1.25 0.07 . 4 . . . . . . . . 5128 1 559 . 1 1 70 70 LEU HD11 H 1 0.76 0.07 . 4 . . . . . . . . 5128 1 560 . 1 1 70 70 LEU HD12 H 1 0.76 0.07 . 4 . . . . . . . . 5128 1 561 . 1 1 70 70 LEU HD13 H 1 0.76 0.07 . 4 . . . . . . . . 5128 1 562 . 1 1 70 70 LEU CA C 13 54.37 0.74 . 1 . . . . . . . . 5128 1 563 . 1 1 70 70 LEU CB C 13 43.09 0.74 . 1 . . . . . . . . 5128 1 564 . 1 1 70 70 LEU N N 15 119.03 0.43 . 1 . . . . . . . . 5128 1 565 . 1 1 71 71 ARG H H 1 9.02 0.07 . 1 . . . . . . . . 5128 1 566 . 1 1 71 71 ARG HA H 1 4.23 0.07 . 1 . . . . . . . . 5128 1 567 . 1 1 71 71 ARG HB2 H 1 1.99 0.07 . 4 . . . . . . . . 5128 1 568 . 1 1 71 71 ARG HB3 H 1 1.99 0.07 . 4 . . . . . . . . 5128 1 569 . 1 1 71 71 ARG HG2 H 1 1.63 0.07 . 4 . . . . . . . . 5128 1 570 . 1 1 71 71 ARG HG3 H 1 1.63 0.07 . 4 . . . . . . . . 5128 1 571 . 1 1 71 71 ARG HD2 H 1 3.13 0.07 . 4 . . . . . . . . 5128 1 572 . 1 1 71 71 ARG HD3 H 1 3.13 0.07 . 4 . . . . . . . . 5128 1 573 . 1 1 71 71 ARG CA C 13 55.19 0.74 . 1 . . . . . . . . 5128 1 574 . 1 1 71 71 ARG CB C 13 30.78 0.74 . 1 . . . . . . . . 5128 1 575 . 1 1 71 71 ARG N N 15 123.47 0.43 . 1 . . . . . . . . 5128 1 576 . 1 1 72 72 ALA H H 1 8.68 0.07 . 1 . . . . . . . . 5128 1 577 . 1 1 72 72 ALA HA H 1 3.73 0.07 . 1 . . . . . . . . 5128 1 578 . 1 1 72 72 ALA HB1 H 1 1.27 0.07 . 1 . . . . . . . . 5128 1 579 . 1 1 72 72 ALA HB2 H 1 1.27 0.07 . 1 . . . . . . . . 5128 1 580 . 1 1 72 72 ALA HB3 H 1 1.27 0.07 . 1 . . . . . . . . 5128 1 581 . 1 1 72 72 ALA CA C 13 55.29 0.74 . 1 . . . . . . . . 5128 1 582 . 1 1 72 72 ALA CB C 13 18.21 0.74 . 1 . . . . . . . . 5128 1 583 . 1 1 72 72 ALA N N 15 124.81 0.43 . 1 . . . . . . . . 5128 1 584 . 1 1 73 73 GLU H H 1 8.77 0.07 . 1 . . . . . . . . 5128 1 585 . 1 1 73 73 GLU HA H 1 3.96 0.07 . 1 . . . . . . . . 5128 1 586 . 1 1 73 73 GLU HB2 H 1 1.88 0.07 . 4 . . . . . . . . 5128 1 587 . 1 1 73 73 GLU HB3 H 1 1.88 0.07 . 4 . . . . . . . . 5128 1 588 . 1 1 73 73 GLU HG2 H 1 2.09 0.07 . 4 . . . . . . . . 5128 1 589 . 1 1 73 73 GLU HG3 H 1 2.09 0.07 . 4 . . . . . . . . 5128 1 590 . 1 1 73 73 GLU CA C 13 57.20 0.74 . 1 . . . . . . . . 5128 1 591 . 1 1 73 73 GLU CB C 13 28.82 0.74 . 1 . . . . . . . . 5128 1 592 . 1 1 73 73 GLU N N 15 111.97 0.43 . 1 . . . . . . . . 5128 1 593 . 1 1 74 74 ASP H H 1 7.33 0.07 . 1 . . . . . . . . 5128 1 594 . 1 1 74 74 ASP HA H 1 4.51 0.07 . 1 . . . . . . . . 5128 1 595 . 1 1 74 74 ASP HB2 H 1 2.65 0.07 . 2 . . . . . . . . 5128 1 596 . 1 1 74 74 ASP HB3 H 1 2.76 0.07 . 2 . . . . . . . . 5128 1 597 . 1 1 74 74 ASP CA C 13 54.63 0.74 . 1 . . . . . . . . 5128 1 598 . 1 1 74 74 ASP CB C 13 42.17 0.74 . 1 . . . . . . . . 5128 1 599 . 1 1 74 74 ASP N N 15 121.36 0.43 . 1 . . . . . . . . 5128 1 600 . 1 1 75 75 ALA H H 1 8.38 0.07 . 1 . . . . . . . . 5128 1 601 . 1 1 75 75 ALA HA H 1 3.91 0.07 . 1 . . . . . . . . 5128 1 602 . 1 1 75 75 ALA HB1 H 1 1.31 0.07 . 1 . . . . . . . . 5128 1 603 . 1 1 75 75 ALA HB2 H 1 1.31 0.07 . 1 . . . . . . . . 5128 1 604 . 1 1 75 75 ALA HB3 H 1 1.31 0.07 . 1 . . . . . . . . 5128 1 605 . 1 1 75 75 ALA CA C 13 52.11 0.74 . 1 . . . . . . . . 5128 1 606 . 1 1 75 75 ALA CB C 13 20.52 0.74 . 1 . . . . . . . . 5128 1 607 . 1 1 75 75 ALA N N 15 126.89 0.43 . 1 . . . . . . . . 5128 1 608 . 1 1 76 76 LEU H H 1 6.87 0.07 . 1 . . . . . . . . 5128 1 609 . 1 1 76 76 LEU HA H 1 4.42 0.07 . 1 . . . . . . . . 5128 1 610 . 1 1 76 76 LEU HB2 H 1 0.98 0.07 . 4 . . . . . . . . 5128 1 611 . 1 1 76 76 LEU HB3 H 1 0.98 0.07 . 4 . . . . . . . . 5128 1 612 . 1 1 76 76 LEU HG H 1 0.71 0.07 . 4 . . . . . . . . 5128 1 613 . 1 1 76 76 LEU HD11 H 1 0.31 0.07 . 4 . . . . . . . . 5128 1 614 . 1 1 76 76 LEU HD12 H 1 0.31 0.07 . 4 . . . . . . . . 5128 1 615 . 1 1 76 76 LEU HD13 H 1 0.31 0.07 . 4 . . . . . . . . 5128 1 616 . 1 1 76 76 LEU HD21 H 1 1.03 0.07 . 4 . . . . . . . . 5128 1 617 . 1 1 76 76 LEU HD22 H 1 1.03 0.07 . 4 . . . . . . . . 5128 1 618 . 1 1 76 76 LEU HD23 H 1 1.03 0.07 . 4 . . . . . . . . 5128 1 619 . 1 1 76 76 LEU CA C 13 54.78 0.74 . 1 . . . . . . . . 5128 1 620 . 1 1 76 76 LEU CB C 13 44.41 0.74 . 1 . . . . . . . . 5128 1 621 . 1 1 76 76 LEU N N 15 116.87 0.43 . 1 . . . . . . . . 5128 1 622 . 1 1 77 77 PHE H H 1 9.05 0.07 . 1 . . . . . . . . 5128 1 623 . 1 1 77 77 PHE HA H 1 4.58 0.07 . 1 . . . . . . . . 5128 1 624 . 1 1 77 77 PHE HB2 H 1 2.50 0.07 . 2 . . . . . . . . 5128 1 625 . 1 1 77 77 PHE HB3 H 1 2.42 0.07 . 2 . . . . . . . . 5128 1 626 . 1 1 77 77 PHE CA C 13 57.10 0.74 . 1 . . . . . . . . 5128 1 627 . 1 1 77 77 PHE CB C 13 42.91 0.74 . 1 . . . . . . . . 5128 1 628 . 1 1 77 77 PHE N N 15 123.84 0.43 . 1 . . . . . . . . 5128 1 629 . 1 1 78 78 PHE H H 1 7.75 0.07 . 1 . . . . . . . . 5128 1 630 . 1 1 78 78 PHE HA H 1 5.90 0.07 . 1 . . . . . . . . 5128 1 631 . 1 1 78 78 PHE HB2 H 1 2.71 0.07 . 2 . . . . . . . . 5128 1 632 . 1 1 78 78 PHE HB3 H 1 2.80 0.07 . 2 . . . . . . . . 5128 1 633 . 1 1 78 78 PHE CA C 13 52.02 0.74 . 1 . . . . . . . . 5128 1 634 . 1 1 78 78 PHE CB C 13 41.69 0.74 . 1 . . . . . . . . 5128 1 635 . 1 1 78 78 PHE N N 15 119.75 0.43 . 1 . . . . . . . . 5128 1 636 . 1 1 79 79 PHE H H 1 8.97 0.07 . 1 . . . . . . . . 5128 1 637 . 1 1 79 79 PHE HA H 1 4.95 0.07 . 1 . . . . . . . . 5128 1 638 . 1 1 79 79 PHE HB2 H 1 2.68 0.07 . 2 . . . . . . . . 5128 1 639 . 1 1 79 79 PHE HB3 H 1 2.54 0.07 . 2 . . . . . . . . 5128 1 640 . 1 1 79 79 PHE CA C 13 56.23 0.74 . 1 . . . . . . . . 5128 1 641 . 1 1 79 79 PHE CB C 13 43.62 0.74 . 1 . . . . . . . . 5128 1 642 . 1 1 79 79 PHE N N 15 112.12 0.43 . 1 . . . . . . . . 5128 1 643 . 1 1 80 80 VAL H H 1 9.22 0.07 . 1 . . . . . . . . 5128 1 644 . 1 1 80 80 VAL HA H 1 4.42 0.07 . 1 . . . . . . . . 5128 1 645 . 1 1 80 80 VAL HB H 1 1.60 0.07 . 4 . . . . . . . . 5128 1 646 . 1 1 80 80 VAL HG11 H 1 0.59 0.07 . 4 . . . . . . . . 5128 1 647 . 1 1 80 80 VAL HG12 H 1 0.59 0.07 . 4 . . . . . . . . 5128 1 648 . 1 1 80 80 VAL HG13 H 1 0.59 0.07 . 4 . . . . . . . . 5128 1 649 . 1 1 80 80 VAL HG21 H 1 0.68 0.07 . 4 . . . . . . . . 5128 1 650 . 1 1 80 80 VAL HG22 H 1 0.68 0.07 . 4 . . . . . . . . 5128 1 651 . 1 1 80 80 VAL HG23 H 1 0.68 0.07 . 4 . . . . . . . . 5128 1 652 . 1 1 80 80 VAL CA C 13 59.88 0.74 . 1 . . . . . . . . 5128 1 653 . 1 1 80 80 VAL CB C 13 33.76 0.74 . 1 . . . . . . . . 5128 1 654 . 1 1 80 80 VAL N N 15 121.90 0.43 . 1 . . . . . . . . 5128 1 655 . 1 1 81 81 ASN H H 1 9.74 0.07 . 1 . . . . . . . . 5128 1 656 . 1 1 81 81 ASN HA H 1 4.20 0.07 . 1 . . . . . . . . 5128 1 657 . 1 1 81 81 ASN HB2 H 1 2.57 0.07 . 1 . . . . . . . . 5128 1 658 . 1 1 81 81 ASN HB3 H 1 2.57 0.07 . 1 . . . . . . . . 5128 1 659 . 1 1 81 81 ASN CA C 13 55.12 0.74 . 1 . . . . . . . . 5128 1 660 . 1 1 81 81 ASN CB C 13 37.41 0.74 . 1 . . . . . . . . 5128 1 661 . 1 1 81 81 ASN N N 15 126.37 0.43 . 1 . . . . . . . . 5128 1 662 . 1 1 82 82 ASN H H 1 8.03 0.07 . 1 . . . . . . . . 5128 1 663 . 1 1 82 82 ASN HA H 1 3.91 0.07 . 1 . . . . . . . . 5128 1 664 . 1 1 82 82 ASN HB2 H 1 2.90 0.07 . 1 . . . . . . . . 5128 1 665 . 1 1 82 82 ASN HB3 H 1 2.90 0.07 . 1 . . . . . . . . 5128 1 666 . 1 1 82 82 ASN CA C 13 55.59 0.74 . 1 . . . . . . . . 5128 1 667 . 1 1 82 82 ASN CB C 13 38.21 0.74 . 1 . . . . . . . . 5128 1 668 . 1 1 82 82 ASN N N 15 106.66 0.43 . 1 . . . . . . . . 5128 1 669 . 1 1 83 83 VAL H H 1 8.05 0.07 . 1 . . . . . . . . 5128 1 670 . 1 1 83 83 VAL HA H 1 4.57 0.07 . 1 . . . . . . . . 5128 1 671 . 1 1 83 83 VAL HB H 1 2.07 0.07 . 4 . . . . . . . . 5128 1 672 . 1 1 83 83 VAL HG11 H 1 0.84 0.07 . 4 . . . . . . . . 5128 1 673 . 1 1 83 83 VAL HG12 H 1 0.84 0.07 . 4 . . . . . . . . 5128 1 674 . 1 1 83 83 VAL HG13 H 1 0.84 0.07 . 4 . . . . . . . . 5128 1 675 . 1 1 83 83 VAL HG21 H 1 0.86 0.07 . 4 . . . . . . . . 5128 1 676 . 1 1 83 83 VAL HG22 H 1 0.86 0.07 . 4 . . . . . . . . 5128 1 677 . 1 1 83 83 VAL HG23 H 1 0.86 0.07 . 4 . . . . . . . . 5128 1 678 . 1 1 83 83 VAL CA C 13 60.60 0.74 . 1 . . . . . . . . 5128 1 679 . 1 1 83 83 VAL CB C 13 35.01 0.74 . 1 . . . . . . . . 5128 1 680 . 1 1 83 83 VAL N N 15 118.97 0.43 . 1 . . . . . . . . 5128 1 681 . 1 1 84 84 ILE H H 1 8.42 0.07 . 1 . . . . . . . . 5128 1 682 . 1 1 84 84 ILE HA H 1 5.08 0.07 . 1 . . . . . . . . 5128 1 683 . 1 1 84 84 ILE HB H 1 1.65 0.07 . 4 . . . . . . . . 5128 1 684 . 1 1 84 84 ILE HG12 H 1 1.42 0.07 . 4 . . . . . . . . 5128 1 685 . 1 1 84 84 ILE HG13 H 1 1.42 0.07 . 4 . . . . . . . . 5128 1 686 . 1 1 84 84 ILE HG21 H 1 1.05 0.07 . 4 . . . . . . . . 5128 1 687 . 1 1 84 84 ILE HG22 H 1 1.05 0.07 . 4 . . . . . . . . 5128 1 688 . 1 1 84 84 ILE HG23 H 1 1.05 0.07 . 4 . . . . . . . . 5128 1 689 . 1 1 84 84 ILE HD11 H 1 0.70 0.07 . 4 . . . . . . . . 5128 1 690 . 1 1 84 84 ILE HD12 H 1 0.70 0.07 . 4 . . . . . . . . 5128 1 691 . 1 1 84 84 ILE HD13 H 1 0.70 0.07 . 4 . . . . . . . . 5128 1 692 . 1 1 84 84 ILE CA C 13 58.40 0.74 . 1 . . . . . . . . 5128 1 693 . 1 1 84 84 ILE CB C 13 38.80 0.74 . 1 . . . . . . . . 5128 1 694 . 1 1 84 84 ILE N N 15 127.33 0.43 . 1 . . . . . . . . 5128 1 695 . 1 1 86 86 PRO HA H 1 4.61 0.07 . 1 . . . . . . . . 5128 1 696 . 1 1 86 86 PRO HB2 H 1 2.33 0.07 . 4 . . . . . . . . 5128 1 697 . 1 1 86 86 PRO HB3 H 1 2.33 0.07 . 4 . . . . . . . . 5128 1 698 . 1 1 86 86 PRO HG2 H 1 1.92 0.07 . 4 . . . . . . . . 5128 1 699 . 1 1 86 86 PRO HG3 H 1 1.92 0.07 . 4 . . . . . . . . 5128 1 700 . 1 1 86 86 PRO HD2 H 1 3.42 0.07 . 4 . . . . . . . . 5128 1 701 . 1 1 86 86 PRO HD3 H 1 3.42 0.07 . 4 . . . . . . . . 5128 1 702 . 1 1 86 86 PRO CA C 13 62.05 0.74 . 1 . . . . . . . . 5128 1 703 . 1 1 86 86 PRO CB C 13 31.80 0.74 . 1 . . . . . . . . 5128 1 704 . 1 1 87 87 THR H H 1 8.49 0.07 . 1 . . . . . . . . 5128 1 705 . 1 1 87 87 THR HA H 1 3.77 0.07 . 1 . . . . . . . . 5128 1 706 . 1 1 87 87 THR HB H 1 4.13 0.07 . 4 . . . . . . . . 5128 1 707 . 1 1 87 87 THR HG21 H 1 1.25 0.07 . 4 . . . . . . . . 5128 1 708 . 1 1 87 87 THR HG22 H 1 1.25 0.07 . 4 . . . . . . . . 5128 1 709 . 1 1 87 87 THR HG23 H 1 1.25 0.07 . 4 . . . . . . . . 5128 1 710 . 1 1 87 87 THR CA C 13 64.81 0.74 . 1 . . . . . . . . 5128 1 711 . 1 1 87 87 THR CB C 13 68.75 0.74 . 1 . . . . . . . . 5128 1 712 . 1 1 87 87 THR N N 15 113.54 0.43 . 1 . . . . . . . . 5128 1 713 . 1 1 88 88 SER H H 1 7.67 0.07 . 1 . . . . . . . . 5128 1 714 . 1 1 88 88 SER HA H 1 4.29 0.07 . 1 . . . . . . . . 5128 1 715 . 1 1 88 88 SER CA C 13 57.71 0.74 . 1 . . . . . . . . 5128 1 716 . 1 1 88 88 SER CB C 13 63.35 0.74 . 1 . . . . . . . . 5128 1 717 . 1 1 88 88 SER N N 15 110.90 0.43 . 1 . . . . . . . . 5128 1 718 . 1 1 89 89 ALA H H 1 7.17 0.07 . 1 . . . . . . . . 5128 1 719 . 1 1 89 89 ALA HA H 1 4.38 0.07 . 1 . . . . . . . . 5128 1 720 . 1 1 89 89 ALA HB1 H 1 1.39 0.07 . 1 . . . . . . . . 5128 1 721 . 1 1 89 89 ALA HB2 H 1 1.39 0.07 . 1 . . . . . . . . 5128 1 722 . 1 1 89 89 ALA HB3 H 1 1.39 0.07 . 1 . . . . . . . . 5128 1 723 . 1 1 89 89 ALA CA C 13 52.37 0.74 . 1 . . . . . . . . 5128 1 724 . 1 1 89 89 ALA CB C 13 18.94 0.74 . 1 . . . . . . . . 5128 1 725 . 1 1 89 89 ALA N N 15 124.80 0.43 . 1 . . . . . . . . 5128 1 726 . 1 1 90 90 THR H H 1 8.08 0.07 . 1 . . . . . . . . 5128 1 727 . 1 1 90 90 THR HA H 1 4.78 0.07 . 1 . . . . . . . . 5128 1 728 . 1 1 90 90 THR HG1 H 1 4.75 0.07 . 4 . . . . . . . . 5128 1 729 . 1 1 90 90 THR HG21 H 1 1.10 0.07 . 4 . . . . . . . . 5128 1 730 . 1 1 90 90 THR HG22 H 1 1.10 0.07 . 4 . . . . . . . . 5128 1 731 . 1 1 90 90 THR HG23 H 1 1.10 0.07 . 4 . . . . . . . . 5128 1 732 . 1 1 90 90 THR CA C 13 59.81 0.74 . 1 . . . . . . . . 5128 1 733 . 1 1 90 90 THR CB C 13 70.60 0.74 . 1 . . . . . . . . 5128 1 734 . 1 1 90 90 THR N N 15 108.47 0.43 . 1 . . . . . . . . 5128 1 735 . 1 1 91 91 MET H H 1 9.22 0.07 . 1 . . . . . . . . 5128 1 736 . 1 1 91 91 MET HA H 1 4.22 0.07 . 1 . . . . . . . . 5128 1 737 . 1 1 91 91 MET HB2 H 1 2.06 0.07 . 4 . . . . . . . . 5128 1 738 . 1 1 91 91 MET HB3 H 1 2.06 0.07 . 4 . . . . . . . . 5128 1 739 . 1 1 91 91 MET HG2 H 1 2.26 0.07 . 4 . . . . . . . . 5128 1 740 . 1 1 91 91 MET HG3 H 1 2.26 0.07 . 4 . . . . . . . . 5128 1 741 . 1 1 91 91 MET HE1 H 1 1.87 0.07 . 4 . . . . . . . . 5128 1 742 . 1 1 91 91 MET HE2 H 1 1.87 0.07 . 4 . . . . . . . . 5128 1 743 . 1 1 91 91 MET HE3 H 1 1.87 0.07 . 4 . . . . . . . . 5128 1 744 . 1 1 91 91 MET CA C 13 55.74 0.74 . 1 . . . . . . . . 5128 1 745 . 1 1 91 91 MET CB C 13 28.52 0.74 . 1 . . . . . . . . 5128 1 746 . 1 1 91 91 MET N N 15 119.75 0.43 . 1 . . . . . . . . 5128 1 747 . 1 1 92 92 GLY H H 1 9.35 0.07 . 1 . . . . . . . . 5128 1 748 . 1 1 92 92 GLY HA2 H 1 3.80 0.07 . 2 . . . . . . . . 5128 1 749 . 1 1 92 92 GLY HA3 H 1 3.69 0.07 . 2 . . . . . . . . 5128 1 750 . 1 1 92 92 GLY CA C 13 47.05 0.74 . 1 . . . . . . . . 5128 1 751 . 1 1 92 92 GLY N N 15 107.87 0.43 . 1 . . . . . . . . 5128 1 752 . 1 1 93 93 GLN H H 1 7.90 0.07 . 1 . . . . . . . . 5128 1 753 . 1 1 93 93 GLN HA H 1 4.03 0.07 . 1 . . . . . . . . 5128 1 754 . 1 1 93 93 GLN HB2 H 1 2.00 0.07 . 4 . . . . . . . . 5128 1 755 . 1 1 93 93 GLN HB3 H 1 2.00 0.07 . 4 . . . . . . . . 5128 1 756 . 1 1 93 93 GLN HG2 H 1 2.33 0.07 . 4 . . . . . . . . 5128 1 757 . 1 1 93 93 GLN HG3 H 1 2.33 0.07 . 4 . . . . . . . . 5128 1 758 . 1 1 93 93 GLN CA C 13 58.84 0.74 . 1 . . . . . . . . 5128 1 759 . 1 1 93 93 GLN CB C 13 27.83 0.74 . 1 . . . . . . . . 5128 1 760 . 1 1 93 93 GLN N N 15 124.39 0.43 . 1 . . . . . . . . 5128 1 761 . 1 1 94 94 LEU H H 1 8.29 0.07 . 1 . . . . . . . . 5128 1 762 . 1 1 94 94 LEU HA H 1 4.14 0.07 . 1 . . . . . . . . 5128 1 763 . 1 1 94 94 LEU HB2 H 1 1.70 0.07 . 4 . . . . . . . . 5128 1 764 . 1 1 94 94 LEU HB3 H 1 1.70 0.07 . 4 . . . . . . . . 5128 1 765 . 1 1 94 94 LEU HG H 1 1.49 0.07 . 4 . . . . . . . . 5128 1 766 . 1 1 94 94 LEU HD11 H 1 0.77 0.07 . 4 . . . . . . . . 5128 1 767 . 1 1 94 94 LEU HD12 H 1 0.77 0.07 . 4 . . . . . . . . 5128 1 768 . 1 1 94 94 LEU HD13 H 1 0.77 0.07 . 4 . . . . . . . . 5128 1 769 . 1 1 94 94 LEU CA C 13 57.79 0.74 . 1 . . . . . . . . 5128 1 770 . 1 1 94 94 LEU CB C 13 42.45 0.74 . 1 . . . . . . . . 5128 1 771 . 1 1 94 94 LEU N N 15 120.31 0.43 . 1 . . . . . . . . 5128 1 772 . 1 1 95 95 TYR H H 1 8.90 0.07 . 1 . . . . . . . . 5128 1 773 . 1 1 95 95 TYR HA H 1 3.72 0.07 . 1 . . . . . . . . 5128 1 774 . 1 1 95 95 TYR HB2 H 1 2.93 0.07 . 2 . . . . . . . . 5128 1 775 . 1 1 95 95 TYR HB3 H 1 3.17 0.07 . 2 . . . . . . . . 5128 1 776 . 1 1 95 95 TYR CA C 13 63.27 0.74 . 1 . . . . . . . . 5128 1 777 . 1 1 95 95 TYR CB C 13 39.38 0.74 . 1 . . . . . . . . 5128 1 778 . 1 1 95 95 TYR N N 15 118.58 0.43 . 1 . . . . . . . . 5128 1 779 . 1 1 96 96 GLN H H 1 8.33 0.07 . 1 . . . . . . . . 5128 1 780 . 1 1 96 96 GLN HA H 1 3.94 0.07 . 1 . . . . . . . . 5128 1 781 . 1 1 96 96 GLN HB2 H 1 2.19 0.07 . 4 . . . . . . . . 5128 1 782 . 1 1 96 96 GLN HB3 H 1 2.19 0.07 . 4 . . . . . . . . 5128 1 783 . 1 1 96 96 GLN HG2 H 1 2.44 0.07 . 4 . . . . . . . . 5128 1 784 . 1 1 96 96 GLN HG3 H 1 2.44 0.07 . 4 . . . . . . . . 5128 1 785 . 1 1 96 96 GLN CA C 13 59.21 0.74 . 1 . . . . . . . . 5128 1 786 . 1 1 96 96 GLN CB C 13 28.29 0.74 . 1 . . . . . . . . 5128 1 787 . 1 1 96 96 GLN N N 15 119.83 0.43 . 1 . . . . . . . . 5128 1 788 . 1 1 97 97 GLU H H 1 7.30 0.07 . 1 . . . . . . . . 5128 1 789 . 1 1 97 97 GLU HA H 1 3.87 0.07 . 1 . . . . . . . . 5128 1 790 . 1 1 97 97 GLU HB2 H 1 1.47 0.07 . 4 . . . . . . . . 5128 1 791 . 1 1 97 97 GLU HB3 H 1 1.47 0.07 . 4 . . . . . . . . 5128 1 792 . 1 1 97 97 GLU HG2 H 1 1.97 0.07 . 4 . . . . . . . . 5128 1 793 . 1 1 97 97 GLU HG3 H 1 1.97 0.07 . 4 . . . . . . . . 5128 1 794 . 1 1 97 97 GLU CA C 13 58.21 0.74 . 1 . . . . . . . . 5128 1 795 . 1 1 97 97 GLU CB C 13 31.17 0.74 . 1 . . . . . . . . 5128 1 796 . 1 1 97 97 GLU N N 15 114.59 0.43 . 1 . . . . . . . . 5128 1 797 . 1 1 98 98 HIS H H 1 8.05 0.07 . 1 . . . . . . . . 5128 1 798 . 1 1 98 98 HIS HA H 1 4.68 0.07 . 1 . . . . . . . . 5128 1 799 . 1 1 98 98 HIS HB2 H 1 2.68 0.07 . 2 . . . . . . . . 5128 1 800 . 1 1 98 98 HIS HB3 H 1 2.97 0.07 . 2 . . . . . . . . 5128 1 801 . 1 1 98 98 HIS CA C 13 56.33 0.74 . 1 . . . . . . . . 5128 1 802 . 1 1 98 98 HIS CB C 13 33.22 0.74 . 1 . . . . . . . . 5128 1 803 . 1 1 98 98 HIS N N 15 111.76 0.43 . 1 . . . . . . . . 5128 1 804 . 1 1 99 99 HIS H H 1 8.31 0.07 . 1 . . . . . . . . 5128 1 805 . 1 1 99 99 HIS HA H 1 4.15 0.07 . 1 . . . . . . . . 5128 1 806 . 1 1 99 99 HIS HB2 H 1 1.97 0.07 . 2 . . . . . . . . 5128 1 807 . 1 1 99 99 HIS HB3 H 1 2.15 0.07 . 2 . . . . . . . . 5128 1 808 . 1 1 99 99 HIS CA C 13 56.92 0.74 . 1 . . . . . . . . 5128 1 809 . 1 1 99 99 HIS CB C 13 26.41 0.74 . 1 . . . . . . . . 5128 1 810 . 1 1 99 99 HIS N N 15 118.91 0.43 . 1 . . . . . . . . 5128 1 811 . 1 1 100 100 GLU H H 1 8.71 0.07 . 1 . . . . . . . . 5128 1 812 . 1 1 100 100 GLU HA H 1 4.57 0.07 . 1 . . . . . . . . 5128 1 813 . 1 1 100 100 GLU HB2 H 1 2.32 0.07 . 4 . . . . . . . . 5128 1 814 . 1 1 100 100 GLU HB3 H 1 2.32 0.07 . 4 . . . . . . . . 5128 1 815 . 1 1 100 100 GLU HG2 H 1 2.59 0.07 . 4 . . . . . . . . 5128 1 816 . 1 1 100 100 GLU HG3 H 1 2.59 0.07 . 4 . . . . . . . . 5128 1 817 . 1 1 100 100 GLU CA C 13 56.69 0.74 . 1 . . . . . . . . 5128 1 818 . 1 1 100 100 GLU CB C 13 30.99 0.74 . 1 . . . . . . . . 5128 1 819 . 1 1 100 100 GLU N N 15 120.67 0.43 . 1 . . . . . . . . 5128 1 820 . 1 1 102 102 ASP H H 1 7.71 0.07 . 1 . . . . . . . . 5128 1 821 . 1 1 102 102 ASP HA H 1 4.36 0.07 . 1 . . . . . . . . 5128 1 822 . 1 1 102 102 ASP HB2 H 1 2.33 0.07 . 1 . . . . . . . . 5128 1 823 . 1 1 102 102 ASP HB3 H 1 2.33 0.07 . 1 . . . . . . . . 5128 1 824 . 1 1 102 102 ASP CA C 13 53.17 0.74 . 1 . . . . . . . . 5128 1 825 . 1 1 102 102 ASP CB C 13 40.39 0.74 . 1 . . . . . . . . 5128 1 826 . 1 1 102 102 ASP N N 15 115.01 0.43 . 1 . . . . . . . . 5128 1 827 . 1 1 103 103 PHE H H 1 7.73 0.07 . 1 . . . . . . . . 5128 1 828 . 1 1 103 103 PHE HA H 1 3.44 0.07 . 1 . . . . . . . . 5128 1 829 . 1 1 103 103 PHE HB2 H 1 2.82 0.07 . 1 . . . . . . . . 5128 1 830 . 1 1 103 103 PHE HB3 H 1 2.82 0.07 . 1 . . . . . . . . 5128 1 831 . 1 1 103 103 PHE CA C 13 61.22 0.74 . 1 . . . . . . . . 5128 1 832 . 1 1 103 103 PHE CB C 13 34.67 0.74 . 1 . . . . . . . . 5128 1 833 . 1 1 103 103 PHE N N 15 102.76 0.43 . 1 . . . . . . . . 5128 1 834 . 1 1 104 104 PHE H H 1 8.58 0.07 . 1 . . . . . . . . 5128 1 835 . 1 1 104 104 PHE HA H 1 4.67 0.07 . 1 . . . . . . . . 5128 1 836 . 1 1 104 104 PHE HB2 H 1 3.02 0.07 . 1 . . . . . . . . 5128 1 837 . 1 1 104 104 PHE HB3 H 1 3.02 0.07 . 1 . . . . . . . . 5128 1 838 . 1 1 104 104 PHE CA C 13 59.13 0.74 . 1 . . . . . . . . 5128 1 839 . 1 1 104 104 PHE CB C 13 41.05 0.74 . 1 . . . . . . . . 5128 1 840 . 1 1 104 104 PHE N N 15 119.01 0.43 . 1 . . . . . . . . 5128 1 841 . 1 1 105 105 LEU H H 1 7.79 0.07 . 1 . . . . . . . . 5128 1 842 . 1 1 105 105 LEU HA H 1 4.57 0.07 . 1 . . . . . . . . 5128 1 843 . 1 1 105 105 LEU HB2 H 1 1.92 0.07 . 4 . . . . . . . . 5128 1 844 . 1 1 105 105 LEU HB3 H 1 1.92 0.07 . 4 . . . . . . . . 5128 1 845 . 1 1 105 105 LEU HD11 H 1 0.74 0.07 . 4 . . . . . . . . 5128 1 846 . 1 1 105 105 LEU HD12 H 1 0.74 0.07 . 4 . . . . . . . . 5128 1 847 . 1 1 105 105 LEU HD13 H 1 0.74 0.07 . 4 . . . . . . . . 5128 1 848 . 1 1 105 105 LEU HD21 H 1 1.26 0.07 . 4 . . . . . . . . 5128 1 849 . 1 1 105 105 LEU HD22 H 1 1.26 0.07 . 4 . . . . . . . . 5128 1 850 . 1 1 105 105 LEU HD23 H 1 1.26 0.07 . 4 . . . . . . . . 5128 1 851 . 1 1 105 105 LEU CA C 13 53.16 0.74 . 1 . . . . . . . . 5128 1 852 . 1 1 105 105 LEU CB C 13 45.96 0.74 . 1 . . . . . . . . 5128 1 853 . 1 1 105 105 LEU N N 15 121.43 0.43 . 1 . . . . . . . . 5128 1 854 . 1 1 106 106 TYR H H 1 8.76 0.07 . 1 . . . . . . . . 5128 1 855 . 1 1 106 106 TYR HA H 1 4.54 0.07 . 1 . . . . . . . . 5128 1 856 . 1 1 106 106 TYR HB2 H 1 1.82 0.07 . 2 . . . . . . . . 5128 1 857 . 1 1 106 106 TYR HB3 H 1 1.66 0.07 . 2 . . . . . . . . 5128 1 858 . 1 1 106 106 TYR CA C 13 57.72 0.74 . 1 . . . . . . . . 5128 1 859 . 1 1 106 106 TYR CB C 13 38.62 0.74 . 1 . . . . . . . . 5128 1 860 . 1 1 106 106 TYR N N 15 126.72 0.43 . 1 . . . . . . . . 5128 1 861 . 1 1 107 107 ILE H H 1 9.24 0.07 . 1 . . . . . . . . 5128 1 862 . 1 1 107 107 ILE HA H 1 4.71 0.07 . 1 . . . . . . . . 5128 1 863 . 1 1 107 107 ILE HB H 1 1.40 0.07 . 4 . . . . . . . . 5128 1 864 . 1 1 107 107 ILE HG12 H 1 0.75 0.07 . 4 . . . . . . . . 5128 1 865 . 1 1 107 107 ILE HG13 H 1 0.75 0.07 . 4 . . . . . . . . 5128 1 866 . 1 1 107 107 ILE HG21 H 1 0.36 0.07 . 4 . . . . . . . . 5128 1 867 . 1 1 107 107 ILE HG22 H 1 0.36 0.07 . 4 . . . . . . . . 5128 1 868 . 1 1 107 107 ILE HG23 H 1 0.36 0.07 . 4 . . . . . . . . 5128 1 869 . 1 1 107 107 ILE HD11 H 1 0.15 0.07 . 4 . . . . . . . . 5128 1 870 . 1 1 107 107 ILE HD12 H 1 0.15 0.07 . 4 . . . . . . . . 5128 1 871 . 1 1 107 107 ILE HD13 H 1 0.15 0.07 . 4 . . . . . . . . 5128 1 872 . 1 1 107 107 ILE CA C 13 59.83 0.74 . 1 . . . . . . . . 5128 1 873 . 1 1 107 107 ILE CB C 13 41.56 0.74 . 1 . . . . . . . . 5128 1 874 . 1 1 107 107 ILE N N 15 123.44 0.43 . 1 . . . . . . . . 5128 1 875 . 1 1 108 108 ALA H H 1 8.89 0.07 . 1 . . . . . . . . 5128 1 876 . 1 1 108 108 ALA HA H 1 6.39 0.07 . 1 . . . . . . . . 5128 1 877 . 1 1 108 108 ALA HB1 H 1 1.45 0.07 . 1 . . . . . . . . 5128 1 878 . 1 1 108 108 ALA HB2 H 1 1.45 0.07 . 1 . . . . . . . . 5128 1 879 . 1 1 108 108 ALA HB3 H 1 1.45 0.07 . 1 . . . . . . . . 5128 1 880 . 1 1 108 108 ALA CA C 13 48.84 0.74 . 1 . . . . . . . . 5128 1 881 . 1 1 108 108 ALA CB C 13 23.04 0.74 . 1 . . . . . . . . 5128 1 882 . 1 1 108 108 ALA N N 15 127.71 0.43 . 1 . . . . . . . . 5128 1 883 . 1 1 109 109 TYR H H 1 8.41 0.07 . 1 . . . . . . . . 5128 1 884 . 1 1 109 109 TYR HA H 1 6.60 0.07 . 1 . . . . . . . . 5128 1 885 . 1 1 109 109 TYR HB2 H 1 2.73 0.07 . 2 . . . . . . . . 5128 1 886 . 1 1 109 109 TYR HB3 H 1 3.15 0.07 . 2 . . . . . . . . 5128 1 887 . 1 1 109 109 TYR CA C 13 55.05 0.74 . 1 . . . . . . . . 5128 1 888 . 1 1 109 109 TYR CB C 13 42.80 0.74 . 1 . . . . . . . . 5128 1 889 . 1 1 109 109 TYR N N 15 115.70 0.43 . 1 . . . . . . . . 5128 1 890 . 1 1 110 110 SER H H 1 9.17 0.07 . 1 . . . . . . . . 5128 1 891 . 1 1 110 110 SER HA H 1 4.54 0.07 . 1 . . . . . . . . 5128 1 892 . 1 1 110 110 SER HB2 H 1 3.80 0.07 . 2 . . . . . . . . 5128 1 893 . 1 1 110 110 SER HB3 H 1 4.17 0.07 . 2 . . . . . . . . 5128 1 894 . 1 1 110 110 SER CA C 13 55.84 0.74 . 1 . . . . . . . . 5128 1 895 . 1 1 110 110 SER CB C 13 65.01 0.74 . 1 . . . . . . . . 5128 1 896 . 1 1 110 110 SER N N 15 112.17 0.43 . 1 . . . . . . . . 5128 1 897 . 1 1 111 111 ASP H H 1 9.32 0.07 . 1 . . . . . . . . 5128 1 898 . 1 1 111 111 ASP HA H 1 4.69 0.07 . 1 . . . . . . . . 5128 1 899 . 1 1 111 111 ASP HB2 H 1 2.59 0.07 . 2 . . . . . . . . 5128 1 900 . 1 1 111 111 ASP HB3 H 1 2.95 0.07 . 2 . . . . . . . . 5128 1 901 . 1 1 111 111 ASP CA C 13 54.01 0.74 . 1 . . . . . . . . 5128 1 902 . 1 1 111 111 ASP CB C 13 40.62 0.74 . 1 . . . . . . . . 5128 1 903 . 1 1 111 111 ASP N N 15 119.97 0.43 . 1 . . . . . . . . 5128 1 904 . 1 1 112 112 GLU H H 1 8.41 0.07 . 1 . . . . . . . . 5128 1 905 . 1 1 112 112 GLU HA H 1 4.52 0.07 . 1 . . . . . . . . 5128 1 906 . 1 1 112 112 GLU HB2 H 1 2.00 0.07 . 4 . . . . . . . . 5128 1 907 . 1 1 112 112 GLU HB3 H 1 2.00 0.07 . 4 . . . . . . . . 5128 1 908 . 1 1 112 112 GLU HG2 H 1 2.09 0.07 . 4 . . . . . . . . 5128 1 909 . 1 1 112 112 GLU HG3 H 1 2.09 0.07 . 4 . . . . . . . . 5128 1 910 . 1 1 112 112 GLU CA C 13 54.92 0.74 . 1 . . . . . . . . 5128 1 911 . 1 1 112 112 GLU CB C 13 33.06 0.74 . 1 . . . . . . . . 5128 1 912 . 1 1 112 112 GLU N N 15 118.95 0.43 . 1 . . . . . . . . 5128 1 913 . 1 1 113 113 SER H H 1 7.86 0.07 . 1 . . . . . . . . 5128 1 914 . 1 1 113 113 SER HA H 1 3.24 0.07 . 1 . . . . . . . . 5128 1 915 . 1 1 113 113 SER HB2 H 1 2.33 0.07 . 1 . . . . . . . . 5128 1 916 . 1 1 113 113 SER HB3 H 1 2.33 0.07 . 1 . . . . . . . . 5128 1 917 . 1 1 113 113 SER CA C 13 59.72 0.74 . 1 . . . . . . . . 5128 1 918 . 1 1 113 113 SER CB C 13 60.40 0.74 . 1 . . . . . . . . 5128 1 919 . 1 1 113 113 SER N N 15 112.00 0.43 . 1 . . . . . . . . 5128 1 920 . 1 1 114 114 VAL H H 1 6.85 0.07 . 1 . . . . . . . . 5128 1 921 . 1 1 114 114 VAL HA H 1 4.01 0.07 . 1 . . . . . . . . 5128 1 922 . 1 1 114 114 VAL HB H 1 1.69 0.07 . 4 . . . . . . . . 5128 1 923 . 1 1 114 114 VAL HG11 H 1 0.64 0.07 . 4 . . . . . . . . 5128 1 924 . 1 1 114 114 VAL HG12 H 1 0.64 0.07 . 4 . . . . . . . . 5128 1 925 . 1 1 114 114 VAL HG13 H 1 0.64 0.07 . 4 . . . . . . . . 5128 1 926 . 1 1 114 114 VAL CA C 13 61.13 0.74 . 1 . . . . . . . . 5128 1 927 . 1 1 114 114 VAL CB C 13 34.10 0.74 . 1 . . . . . . . . 5128 1 928 . 1 1 114 114 VAL N N 15 118.77 0.43 . 1 . . . . . . . . 5128 1 929 . 1 1 115 115 TYR H H 1 8.15 0.07 . 1 . . . . . . . . 5128 1 930 . 1 1 115 115 TYR HA H 1 3.55 0.07 . 1 . . . . . . . . 5128 1 931 . 1 1 115 115 TYR HB2 H 1 1.75 0.07 . 2 . . . . . . . . 5128 1 932 . 1 1 115 115 TYR HB3 H 1 2.40 0.07 . 2 . . . . . . . . 5128 1 933 . 1 1 115 115 TYR CA C 13 58.69 0.74 . 1 . . . . . . . . 5128 1 934 . 1 1 115 115 TYR CB C 13 37.87 0.74 . 1 . . . . . . . . 5128 1 935 . 1 1 115 115 TYR N N 15 127.10 0.43 . 1 . . . . . . . . 5128 1 936 . 1 1 116 116 GLY H H 1 7.40 0.07 . 1 . . . . . . . . 5128 1 937 . 1 1 116 116 GLY HA2 H 1 3.43 0.07 . 2 . . . . . . . . 5128 1 938 . 1 1 116 116 GLY HA3 H 1 3.57 0.07 . 2 . . . . . . . . 5128 1 939 . 1 1 116 116 GLY CA C 13 45.09 0.74 . 1 . . . . . . . . 5128 1 940 . 1 1 116 116 GLY N N 15 112.38 0.43 . 1 . . . . . . . . 5128 1 941 . 1 1 117 117 LEU H H 1 7.29 0.07 . 1 . . . . . . . . 5128 1 942 . 1 1 117 117 LEU HA H 1 3.96 0.07 . 1 . . . . . . . . 5128 1 943 . 1 1 117 117 LEU HB2 H 1 1.35 0.07 . 4 . . . . . . . . 5128 1 944 . 1 1 117 117 LEU HB3 H 1 1.35 0.07 . 4 . . . . . . . . 5128 1 945 . 1 1 117 117 LEU HD11 H 1 0.69 0.07 . 4 . . . . . . . . 5128 1 946 . 1 1 117 117 LEU HD12 H 1 0.69 0.07 . 4 . . . . . . . . 5128 1 947 . 1 1 117 117 LEU HD13 H 1 0.69 0.07 . 4 . . . . . . . . 5128 1 948 . 1 1 117 117 LEU CA C 13 56.22 0.74 . 1 . . . . . . . . 5128 1 949 . 1 1 117 117 LEU CB C 13 43.30 0.74 . 1 . . . . . . . . 5128 1 950 . 1 1 117 117 LEU N N 15 126.77 0.43 . 1 . . . . . . . . 5128 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 6 5128 1 1 5 5128 1 1 4 5128 1 1 3 5128 1 2 19 5128 1 2 18 5128 1 2 17 5128 1 2 16 5128 1 2 15 5128 1 2 14 5128 1 2 13 5128 1 2 12 5128 1 3 36 5128 1 3 35 5128 1 3 34 5128 1 3 33 5128 1 4 50 5128 1 4 49 5128 1 4 48 5128 1 4 47 5128 1 5 63 5128 1 5 62 5128 1 5 61 5128 1 5 60 5128 1 5 59 5128 1 5 58 5128 1 5 57 5128 1 5 56 5128 1 6 77 5128 1 6 76 5128 1 6 75 5128 1 6 74 5128 1 6 73 5128 1 6 72 5128 1 6 71 5128 1 6 70 5128 1 6 69 5128 1 7 88 5128 1 7 87 5128 1 7 86 5128 1 7 85 5128 1 7 84 5128 1 7 83 5128 1 8 101 5128 1 8 100 5128 1 8 99 5128 1 8 98 5128 1 8 97 5128 1 8 96 5128 1 8 95 5128 1 8 94 5128 1 9 114 5128 1 9 113 5128 1 9 112 5128 1 9 111 5128 1 9 110 5128 1 9 109 5128 1 9 108 5128 1 9 107 5128 1 10 131 5128 1 10 130 5128 1 10 129 5128 1 10 128 5128 1 10 127 5128 1 10 126 5128 1 11 148 5128 1 11 147 5128 1 11 146 5128 1 11 145 5128 1 11 144 5128 1 11 143 5128 1 12 157 5128 1 12 156 5128 1 12 155 5128 1 12 154 5128 1 13 165 5128 1 13 164 5128 1 13 163 5128 1 13 162 5128 1 14 176 5128 1 14 175 5128 1 14 174 5128 1 14 173 5128 1 14 172 5128 1 14 171 5128 1 14 170 5128 1 15 190 5128 1 15 189 5128 1 15 188 5128 1 15 187 5128 1 15 186 5128 1 15 185 5128 1 15 184 5128 1 15 183 5128 1 15 182 5128 1 16 202 5128 1 16 201 5128 1 16 200 5128 1 16 199 5128 1 16 198 5128 1 16 197 5128 1 16 196 5128 1 17 211 5128 1 17 210 5128 1 17 209 5128 1 17 208 5128 1 18 222 5128 1 18 221 5128 1 18 220 5128 1 18 219 5128 1 18 218 5128 1 18 217 5128 1 19 240 5128 1 19 239 5128 1 19 238 5128 1 19 237 5128 1 19 236 5128 1 19 235 5128 1 20 252 5128 1 20 251 5128 1 20 250 5128 1 20 249 5128 1 20 248 5128 1 20 247 5128 1 20 246 5128 1 20 245 5128 1 21 271 5128 1 21 270 5128 1 21 269 5128 1 21 268 5128 1 21 267 5128 1 21 266 5128 1 22 282 5128 1 22 281 5128 1 22 280 5128 1 22 279 5128 1 22 278 5128 1 22 277 5128 1 23 305 5128 1 23 304 5128 1 23 303 5128 1 23 302 5128 1 23 301 5128 1 23 300 5128 1 24 323 5128 1 24 322 5128 1 24 321 5128 1 24 320 5128 1 24 319 5128 1 24 318 5128 1 25 336 5128 1 25 335 5128 1 25 334 5128 1 25 333 5128 1 25 332 5128 1 25 331 5128 1 25 330 5128 1 25 329 5128 1 26 349 5128 1 26 348 5128 1 26 347 5128 1 26 346 5128 1 26 345 5128 1 26 344 5128 1 26 343 5128 1 26 342 5128 1 27 370 5128 1 27 369 5128 1 27 368 5128 1 27 367 5128 1 27 366 5128 1 27 365 5128 1 27 364 5128 1 27 363 5128 1 27 362 5128 1 28 378 5128 1 28 377 5128 1 28 376 5128 1 28 375 5128 1 29 388 5128 1 29 387 5128 1 29 386 5128 1 29 385 5128 1 29 384 5128 1 29 383 5128 1 30 394 5128 1 30 393 5128 1 31 415 5128 1 31 414 5128 1 31 413 5128 1 31 412 5128 1 31 411 5128 1 31 410 5128 1 31 409 5128 1 31 408 5128 1 31 407 5128 1 32 424 5128 1 32 423 5128 1 32 422 5128 1 32 421 5128 1 33 433 5128 1 33 432 5128 1 33 431 5128 1 33 430 5128 1 34 445 5128 1 34 444 5128 1 35 480 5128 1 35 479 5128 1 35 478 5128 1 35 477 5128 1 35 476 5128 1 35 475 5128 1 35 474 5128 1 35 473 5128 1 35 472 5128 1 36 494 5128 1 36 493 5128 1 36 492 5128 1 36 491 5128 1 36 490 5128 1 36 489 5128 1 36 488 5128 1 36 487 5128 1 36 486 5128 1 37 505 5128 1 37 504 5128 1 37 503 5128 1 37 502 5128 1 37 501 5128 1 37 500 5128 1 38 518 5128 1 38 517 5128 1 38 516 5128 1 38 515 5128 1 38 514 5128 1 38 513 5128 1 38 512 5128 1 38 511 5128 1 39 529 5128 1 39 528 5128 1 39 527 5128 1 39 526 5128 1 39 525 5128 1 39 524 5128 1 40 543 5128 1 40 542 5128 1 40 541 5128 1 40 540 5128 1 40 539 5128 1 40 538 5128 1 40 537 5128 1 40 536 5128 1 40 535 5128 1 41 561 5128 1 41 560 5128 1 41 559 5128 1 41 558 5128 1 41 557 5128 1 41 556 5128 1 42 572 5128 1 42 571 5128 1 42 570 5128 1 42 569 5128 1 42 568 5128 1 42 567 5128 1 43 589 5128 1 43 588 5128 1 43 587 5128 1 43 586 5128 1 44 618 5128 1 44 617 5128 1 44 616 5128 1 44 615 5128 1 44 614 5128 1 44 613 5128 1 44 612 5128 1 44 611 5128 1 44 610 5128 1 45 651 5128 1 45 650 5128 1 45 649 5128 1 45 648 5128 1 45 647 5128 1 45 646 5128 1 45 645 5128 1 46 677 5128 1 46 676 5128 1 46 675 5128 1 46 674 5128 1 46 673 5128 1 46 672 5128 1 46 671 5128 1 47 691 5128 1 47 690 5128 1 47 689 5128 1 47 688 5128 1 47 687 5128 1 47 686 5128 1 47 685 5128 1 47 684 5128 1 47 683 5128 1 48 701 5128 1 48 700 5128 1 48 699 5128 1 48 698 5128 1 48 697 5128 1 48 696 5128 1 49 709 5128 1 49 708 5128 1 49 707 5128 1 49 706 5128 1 50 731 5128 1 50 730 5128 1 50 729 5128 1 50 728 5128 1 51 743 5128 1 51 742 5128 1 51 741 5128 1 51 740 5128 1 51 739 5128 1 51 738 5128 1 51 737 5128 1 52 757 5128 1 52 756 5128 1 52 755 5128 1 52 754 5128 1 53 768 5128 1 53 767 5128 1 53 766 5128 1 53 765 5128 1 53 764 5128 1 53 763 5128 1 54 784 5128 1 54 783 5128 1 54 782 5128 1 54 781 5128 1 55 793 5128 1 55 792 5128 1 55 791 5128 1 55 790 5128 1 56 816 5128 1 56 815 5128 1 56 814 5128 1 56 813 5128 1 57 850 5128 1 57 849 5128 1 57 848 5128 1 57 847 5128 1 57 846 5128 1 57 845 5128 1 57 844 5128 1 57 843 5128 1 58 871 5128 1 58 870 5128 1 58 869 5128 1 58 868 5128 1 58 867 5128 1 58 866 5128 1 58 865 5128 1 58 864 5128 1 58 863 5128 1 59 909 5128 1 59 908 5128 1 59 907 5128 1 59 906 5128 1 60 925 5128 1 60 924 5128 1 60 923 5128 1 60 922 5128 1 61 947 5128 1 61 946 5128 1 61 945 5128 1 61 944 5128 1 61 943 5128 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 5128 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details '3JHNHA coupling constants were measured using an HNHA experiment.' _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5128 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 1 1 MET H . . . . 1 1 1 1 MET HA . . . 6.5 . . . . . . . . . . . . . . 5128 1 2 3JHNHA . 1 1 2 2 LYS H . . . . 1 1 2 2 LYS HA . . . 9.0 . . . . . . . . . . . . . . 5128 1 3 3JHNHA . 1 1 3 3 PHE H . . . . 1 1 3 3 PHE HA . . . 8.8 . . . . . . . . . . . . . . 5128 1 4 3JHNHA . 1 1 21 21 ILE H . . . . 1 1 21 21 ILE HA . . . 4.9 . . . . . . . . . . . . . . 5128 1 5 3JHNHA . 1 1 24 24 LYS H . . . . 1 1 24 24 LYS HA . . . 6.4 . . . . . . . . . . . . . . 5128 1 6 3JHNHA . 1 1 25 25 TYR H . . . . 1 1 25 25 TYR HA . . . 11.4 . . . . . . . . . . . . . . 5128 1 7 3JHNHA . 1 1 27 27 ASP H . . . . 1 1 27 27 ASP HA . . . 9.4 . . . . . . . . . . . . . . 5128 1 8 3JHNHA . 1 1 29 29 VAL H . . . . 1 1 29 29 VAL HA . . . 9.4 . . . . . . . . . . . . . . 5128 1 9 3JHNHA . 1 1 32 32 ILE H . . . . 1 1 32 32 ILE HA . . . 9.3 . . . . . . . . . . . . . . 5128 1 10 3JHNHA . 1 1 33 33 VAL H . . . . 1 1 33 33 VAL HA . . . 9.0 . . . . . . . . . . . . . . 5128 1 11 3JHNHA . 1 1 34 34 GLU H . . . . 1 1 34 34 GLU HA . . . 8.4 . . . . . . . . . . . . . . 5128 1 12 3JHNHA . 1 1 36 36 ALA H . . . . 1 1 36 36 ALA HA . . . 3.9 . . . . . . . . . . . . . . 5128 1 13 3JHNHA . 1 1 38 38 LYS H . . . . 1 1 38 38 LYS HA . . . 8.1 . . . . . . . . . . . . . . 5128 1 14 3JHNHA . 1 1 39 39 ALA H . . . . 1 1 39 39 ALA HA . . . 4.2 . . . . . . . . . . . . . . 5128 1 15 3JHNHA . 1 1 40 40 ARG H . . . . 1 1 40 40 ARG HA . . . 9.1 . . . . . . . . . . . . . . 5128 1 16 3JHNHA . 1 1 41 41 ILE H . . . . 1 1 41 41 ILE HA . . . 8.6 . . . . . . . . . . . . . . 5128 1 17 3JHNHA . 1 1 43 43 ASP H . . . . 1 1 43 43 ASP HA . . . 6.6 . . . . . . . . . . . . . . 5128 1 18 3JHNHA . 1 1 44 44 LEU H . . . . 1 1 44 44 LEU HA . . . 8.2 . . . . . . . . . . . . . . 5128 1 19 3JHNHA . 1 1 45 45 ASP H . . . . 1 1 45 45 ASP HA . . . 6.5 . . . . . . . . . . . . . . 5128 1 20 3JHNHA . 1 1 46 46 LYS H . . . . 1 1 46 46 LYS HA . . . 6.6 . . . . . . . . . . . . . . 5128 1 21 3JHNHA . 1 1 48 48 LYS H . . . . 1 1 48 48 LYS HA . . . 6.0 . . . . . . . . . . . . . . 5128 1 22 3JHNHA . 1 1 49 49 TYR H . . . . 1 1 49 49 TYR HA . . . 10.5 . . . . . . . . . . . . . . 5128 1 23 3JHNHA . 1 1 50 50 LEU H . . . . 1 1 50 50 LEU HA . . . 9.3 . . . . . . . . . . . . . . 5128 1 24 3JHNHA . 1 1 54 54 ASP H . . . . 1 1 54 54 ASP HA . . . 8.4 . . . . . . . . . . . . . . 5128 1 25 3JHNHA . 1 1 55 55 LEU H . . . . 1 1 55 55 LEU HA . . . 5.3 . . . . . . . . . . . . . . 5128 1 26 3JHNHA . 1 1 56 56 THR H . . . . 1 1 56 56 THR HA . . . 7.0 . . . . . . . . . . . . . . 5128 1 27 3JHNHA . 1 1 59 59 GLN H . . . . 1 1 59 59 GLN HA . . . 6.0 . . . . . . . . . . . . . . 5128 1 28 3JHNHA . 1 1 60 60 PHE H . . . . 1 1 60 60 PHE HA . . . 5.1 . . . . . . . . . . . . . . 5128 1 29 3JHNHA . 1 1 61 61 TYR H . . . . 1 1 61 61 TYR HA . . . 3.8 . . . . . . . . . . . . . . 5128 1 30 3JHNHA . 1 1 63 63 LEU H . . . . 1 1 63 63 LEU HA . . . 4.9 . . . . . . . . . . . . . . 5128 1 31 3JHNHA . 1 1 66 66 LYS H . . . . 1 1 66 66 LYS HA . . . 5.2 . . . . . . . . . . . . . . 5128 1 32 3JHNHA . 1 1 67 67 ARG H . . . . 1 1 67 67 ARG HA . . . 5.8 . . . . . . . . . . . . . . 5128 1 33 3JHNHA . 1 1 69 69 HIS H . . . . 1 1 69 69 HIS HA . . . 8.0 . . . . . . . . . . . . . . 5128 1 34 3JHNHA . 1 1 71 71 ARG H . . . . 1 1 71 71 ARG HA . . . 7.1 . . . . . . . . . . . . . . 5128 1 35 3JHNHA . 1 1 73 73 GLU H . . . . 1 1 73 73 GLU HA . . . 6.3 . . . . . . . . . . . . . . 5128 1 36 3JHNHA . 1 1 74 74 ASP H . . . . 1 1 74 74 ASP HA . . . 7.3 . . . . . . . . . . . . . . 5128 1 37 3JHNHA . 1 1 75 75 ALA H . . . . 1 1 75 75 ALA HA . . . 6.0 . . . . . . . . . . . . . . 5128 1 38 3JHNHA . 1 1 76 76 LEU H . . . . 1 1 76 76 LEU HA . . . 7.3 . . . . . . . . . . . . . . 5128 1 39 3JHNHA . 1 1 79 79 PHE H . . . . 1 1 79 79 PHE HA . . . 10.3 . . . . . . . . . . . . . . 5128 1 40 3JHNHA . 1 1 80 80 VAL H . . . . 1 1 80 80 VAL HA . . . 10.1 . . . . . . . . . . . . . . 5128 1 41 3JHNHA . 1 1 81 81 ASN H . . . . 1 1 81 81 ASN HA . . . 7.8 . . . . . . . . . . . . . . 5128 1 42 3JHNHA . 1 1 83 83 VAL H . . . . 1 1 83 83 VAL HA . . . 10.6 . . . . . . . . . . . . . . 5128 1 43 3JHNHA . 1 1 84 84 ILE H . . . . 1 1 84 84 ILE HA . . . 5.9 . . . . . . . . . . . . . . 5128 1 44 3JHNHA . 1 1 88 88 SER H . . . . 1 1 88 88 SER HA . . . 8.0 . . . . . . . . . . . . . . 5128 1 45 3JHNHA . 1 1 89 89 ALA H . . . . 1 1 89 89 ALA HA . . . 7.4 . . . . . . . . . . . . . . 5128 1 46 3JHNHA . 1 1 90 90 THR H . . . . 1 1 90 90 THR HA . . . 7.8 . . . . . . . . . . . . . . 5128 1 47 3JHNHA . 1 1 93 93 GLN H . . . . 1 1 93 93 GLN HA . . . 5.6 . . . . . . . . . . . . . . 5128 1 48 3JHNHA . 1 1 94 94 LEU H . . . . 1 1 94 94 LEU HA . . . 4.5 . . . . . . . . . . . . . . 5128 1 49 3JHNHA . 1 1 95 95 TYR H . . . . 1 1 95 95 TYR HA . . . 3.8 . . . . . . . . . . . . . . 5128 1 50 3JHNHA . 1 1 96 96 GLN H . . . . 1 1 96 96 GLN HA . . . 4.2 . . . . . . . . . . . . . . 5128 1 51 3JHNHA . 1 1 97 97 GLU H . . . . 1 1 97 97 GLU HA . . . 6.7 . . . . . . . . . . . . . . 5128 1 52 3JHNHA . 1 1 98 98 HIS H . . . . 1 1 98 98 HIS HA . . . 10.3 . . . . . . . . . . . . . . 5128 1 53 3JHNHA . 1 1 107 107 ILE H . . . . 1 1 107 107 ILE HA . . . 10.1 . . . . . . . . . . . . . . 5128 1 54 3JHNHA . 1 1 108 108 ALA H . . . . 1 1 108 108 ALA HA . . . 9.1 . . . . . . . . . . . . . . 5128 1 55 3JHNHA . 1 1 109 109 TYR H . . . . 1 1 109 109 TYR HA . . . 8.5 . . . . . . . . . . . . . . 5128 1 56 3JHNHA . 1 1 110 110 SER H . . . . 1 1 110 110 SER HA . . . 8.0 . . . . . . . . . . . . . . 5128 1 57 3JHNHA . 1 1 113 113 SER H . . . . 1 1 113 113 SER HA . . . 6.3 . . . . . . . . . . . . . . 5128 1 58 3JHNHA . 1 1 114 114 VAL H . . . . 1 1 114 114 VAL HA . . . 9.9 . . . . . . . . . . . . . . 5128 1 59 3JHNHA . 1 1 117 117 LEU H . . . . 1 1 117 117 LEU HA . . . 9.2 . . . . . . . . . . . . . . 5128 1 stop_ save_