data_5958 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5958 _Entry.Title ; 1H, 13C and 15N resonance assignments of human microtubule-associated protein light chain-3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-26 _Entry.Accession_date 2003-09-26 _Entry.Last_release_date 2004-07-06 _Entry.Original_release_date 2004-07-06 _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 . . . 5958 2 Mineyuki Mizuguchi . . . 5958 3 Isei Tanida . . . 5958 4 Takashi Ueno . . . 5958 5 Eiki Kominami . . . 5958 6 Keiichi Kawano . . . 5958 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5958 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 237 5958 '13C chemical shifts' 235 5958 '15N chemical shifts' 114 5958 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 . . 2004-07-06 2003-09-25 original author . 5958 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5958 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213446 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of human microtubule-associated protein light chain-3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _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 415 _Citation.Page_last 416 _Citation.Year 2004 _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 . . . 5958 1 2 Mineyuki Mizuguchi . . . 5958 1 3 Isei Tanida . . . 5958 1 4 Takashi Ueno . . . 5958 1 5 Eiki Kominami . . . 5958 1 6 Keiichi Kawano . . . 5958 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MAP-LC3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MAP-LC3 _Assembly.Entry_ID 5958 _Assembly.ID 1 _Assembly.Name 'MAP-LC3 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 5958 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 'MAP-LC3 monomer' 1 $MAP-LC3 . . . native . . . . . 5958 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'MAP-LC3 monomer' system 5958 1 MAP-LC3 abbreviation 5958 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAP-LC3 _Entity.Sf_category entity _Entity.Sf_framecode MAP-LC3 _Entity.Entry_ID 5958 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'microtubule-associated protein light chain-3' _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 ; MPSEKTFKQRRTFEQRVEDV RLIREQHPTKIPVIIERYKG EKQLPVLDKTKFLVPDHVNM SELIKIIRRRLQLNANQAFF LLVNGHSMVSVSTPISEVYE SEKDEDGFLYMVYASQETFG ; _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 120 _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 15877 . LC3 . . . . . 100.00 121 98.33 100.00 1.84e-80 . . . . 5958 1 2 no BMRB 18518 . entity_1 . . . . . 95.83 119 100.00 100.00 5.81e-77 . . . . 5958 1 3 no PDB 1UGM . "Crystal Structure Of Lc3" . . . . . 100.00 125 98.33 100.00 5.07e-80 . . . . 5958 1 4 no PDB 1V49 . "Solution Structure Of Microtubule-Associated Protein Light Chain-3" . . . . . 100.00 120 100.00 100.00 2.82e-81 . . . . 5958 1 5 no PDB 2K6Q . "Lc3 P62 Complex Structure" . . . . . 100.00 121 98.33 100.00 1.84e-80 . . . . 5958 1 6 no PDB 2LUE . "Lc3b Optn-lir Ptot Complex Structure" . . . . . 95.83 119 100.00 100.00 5.81e-77 . . . . 5958 1 7 no PDB 2Z0D . "The Crystal Structure Of Human Atg4b- Lc3(1-120) Complex" . . . . . 100.00 125 98.33 100.00 5.07e-80 . . . . 5958 1 8 no PDB 2Z0E . "The Crystal Structure Of Human Atg4b- Lc3(1-124) Complex" . . . . . 100.00 129 98.33 100.00 2.66e-80 . . . . 5958 1 9 no PDB 2ZJD . "Crystal Structure Of Lc3-P62 Complex" . . . . . 100.00 130 100.00 100.00 3.45e-81 . . . . 5958 1 10 no PDB 2ZZP . "The Crystal Structure Of Human Atg4b(C74s)- Lc3(1-124) Complex" . . . . . 100.00 129 98.33 100.00 2.66e-80 . . . . 5958 1 11 no PDB 3VTU . "Crystal Structure Of Human Lc3b_2-119" . . . . . 99.17 123 99.16 99.16 4.50e-79 . . . . 5958 1 12 no PDB 3VTV . "Crystal Structure Of Optineurin Lir-fused Human Lc3b_2-119" . . . . . 98.33 134 100.00 100.00 4.63e-79 . . . . 5958 1 13 no PDB 3VTW . "Crystal Structure Of T7-tagged Optineurin Lir-fused Human Lc3b_2-119" . . . . . 98.33 149 100.00 100.00 2.76e-79 . . . . 5958 1 14 no PDB 3WAO . "Crystal Structure Of Atg13 Lir-fused Human Lc3b_2-119" . . . . . 98.33 134 100.00 100.00 3.41e-79 . . . . 5958 1 15 no PDB 3X0W . "Crystal Structure Of Plekhm1 Lir-fused Human Lc3b_2-119" . . . . . 98.33 134 100.00 100.00 3.37e-79 . . . . 5958 1 16 no DBJ BAB15169 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 1.92e-81 . . . . 5958 1 17 no DBJ BAB22364 . "unnamed protein product [Mus musculus]" . . . . . 100.00 125 98.33 100.00 1.31e-80 . . . . 5958 1 18 no DBJ BAB22569 . "unnamed protein product [Mus musculus]" . . . . . 100.00 125 98.33 100.00 1.31e-80 . . . . 5958 1 19 no DBJ BAB22641 . "unnamed protein product [Mus musculus]" . . . . . 100.00 125 97.50 100.00 4.03e-80 . . . . 5958 1 20 no DBJ BAB22855 . "unnamed protein product [Mus musculus]" . . . . . 100.00 125 98.33 100.00 1.31e-80 . . . . 5958 1 21 no EMBL CAD38970 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 1.92e-81 . . . . 5958 1 22 no EMBL CAG31435 . "hypothetical protein RCJMB04_6g16 [Gallus gallus]" . . . . . 100.00 125 97.50 100.00 7.19e-80 . . . . 5958 1 23 no EMBL CAL38438 . "hypothetical protein [synthetic construct]" . . . . . 100.00 125 100.00 100.00 1.92e-81 . . . . 5958 1 24 no GB AAA20645 . "light chain 3 subunit of microtubule-associated proteins 1A and 1B [Rattus norvegicus]" . . . . . 100.00 142 98.33 100.00 8.33e-81 . . . . 5958 1 25 no GB AAB72082 . "polyprotein [Bovine viral diarrhea virus 1]" . . . . . 96.67 932 98.28 98.28 3.72e-70 . . . . 5958 1 26 no GB AAG09686 . "microtubule-associated proteins 1A/1B light chain 3 [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 1.92e-81 . . . . 5958 1 27 no GB AAG23182 . "microtubule-associated proteins 1A/1B light chain 3 [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 1.92e-81 . . . . 5958 1 28 no GB AAH18634 . "Microtubule-associated protein 1 light chain 3 beta [Homo sapiens]" . . . . . 100.00 125 100.00 100.00 1.92e-81 . . . . 5958 1 29 no REF NP_001001169 . "microtubule-associated proteins 1A/1B light chain 3B [Bos taurus]" . . . . . 100.00 125 99.17 99.17 7.84e-81 . . . . 5958 1 30 no REF NP_001026632 . "microtubule-associated proteins 1A/1B light chain 3B [Gallus gallus]" . . . . . 100.00 125 97.50 100.00 7.19e-80 . . . . 5958 1 31 no REF NP_001078950 . "microtubule-associated proteins 1A/1B light chain 3 beta 2 precursor [Homo sapiens]" . . . . . 100.00 125 99.17 99.17 2.39e-80 . . . . 5958 1 32 no REF NP_001177219 . "microtubule-associated proteins 1A/1B light chain 3B [Sus scrofa]" . . . . . 100.00 125 99.17 99.17 7.84e-81 . . . . 5958 1 33 no REF NP_001180554 . "microtubule-associated protein 1 light chain 3 beta [Macaca mulatta]" . . . . . 100.00 125 100.00 100.00 1.92e-81 . . . . 5958 1 34 no SP A6NCE7 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3 beta 2; AltName: Full=Microtubule-associated proteins 1A/1B l" . . . . . 100.00 125 99.17 99.17 2.39e-80 . . . . 5958 1 35 no SP O41515 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" . . . . . 100.00 125 99.17 99.17 7.84e-81 . . . . 5958 1 36 no SP Q62625 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" . . . . . 100.00 142 98.33 100.00 8.33e-81 . . . . 5958 1 37 no SP Q9CQV6 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" . . . . . 100.00 125 98.33 100.00 1.31e-80 . . . . 5958 1 38 no SP Q9GZQ8 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" . . . . . 100.00 125 100.00 100.00 1.92e-81 . . . . 5958 1 39 no TPG DAA20021 . "TPA: microtubule-associated proteins 1A/1B light chain 3B [Bos taurus]" . . . . . 100.00 125 99.17 99.17 7.84e-81 . . . . 5958 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'microtubule-associated protein light chain-3' common 5958 1 MAP-LC3 abbreviation 5958 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 . 5958 1 2 . PRO . 5958 1 3 . SER . 5958 1 4 . GLU . 5958 1 5 . LYS . 5958 1 6 . THR . 5958 1 7 . PHE . 5958 1 8 . LYS . 5958 1 9 . GLN . 5958 1 10 . ARG . 5958 1 11 . ARG . 5958 1 12 . THR . 5958 1 13 . PHE . 5958 1 14 . GLU . 5958 1 15 . GLN . 5958 1 16 . ARG . 5958 1 17 . VAL . 5958 1 18 . GLU . 5958 1 19 . ASP . 5958 1 20 . VAL . 5958 1 21 . ARG . 5958 1 22 . LEU . 5958 1 23 . ILE . 5958 1 24 . ARG . 5958 1 25 . GLU . 5958 1 26 . GLN . 5958 1 27 . HIS . 5958 1 28 . PRO . 5958 1 29 . THR . 5958 1 30 . LYS . 5958 1 31 . ILE . 5958 1 32 . PRO . 5958 1 33 . VAL . 5958 1 34 . ILE . 5958 1 35 . ILE . 5958 1 36 . GLU . 5958 1 37 . ARG . 5958 1 38 . TYR . 5958 1 39 . LYS . 5958 1 40 . GLY . 5958 1 41 . GLU . 5958 1 42 . LYS . 5958 1 43 . GLN . 5958 1 44 . LEU . 5958 1 45 . PRO . 5958 1 46 . VAL . 5958 1 47 . LEU . 5958 1 48 . ASP . 5958 1 49 . LYS . 5958 1 50 . THR . 5958 1 51 . LYS . 5958 1 52 . PHE . 5958 1 53 . LEU . 5958 1 54 . VAL . 5958 1 55 . PRO . 5958 1 56 . ASP . 5958 1 57 . HIS . 5958 1 58 . VAL . 5958 1 59 . ASN . 5958 1 60 . MET . 5958 1 61 . SER . 5958 1 62 . GLU . 5958 1 63 . LEU . 5958 1 64 . ILE . 5958 1 65 . LYS . 5958 1 66 . ILE . 5958 1 67 . ILE . 5958 1 68 . ARG . 5958 1 69 . ARG . 5958 1 70 . ARG . 5958 1 71 . LEU . 5958 1 72 . GLN . 5958 1 73 . LEU . 5958 1 74 . ASN . 5958 1 75 . ALA . 5958 1 76 . ASN . 5958 1 77 . GLN . 5958 1 78 . ALA . 5958 1 79 . PHE . 5958 1 80 . PHE . 5958 1 81 . LEU . 5958 1 82 . LEU . 5958 1 83 . VAL . 5958 1 84 . ASN . 5958 1 85 . GLY . 5958 1 86 . HIS . 5958 1 87 . SER . 5958 1 88 . MET . 5958 1 89 . VAL . 5958 1 90 . SER . 5958 1 91 . VAL . 5958 1 92 . SER . 5958 1 93 . THR . 5958 1 94 . PRO . 5958 1 95 . ILE . 5958 1 96 . SER . 5958 1 97 . GLU . 5958 1 98 . VAL . 5958 1 99 . TYR . 5958 1 100 . GLU . 5958 1 101 . SER . 5958 1 102 . GLU . 5958 1 103 . LYS . 5958 1 104 . ASP . 5958 1 105 . GLU . 5958 1 106 . ASP . 5958 1 107 . GLY . 5958 1 108 . PHE . 5958 1 109 . LEU . 5958 1 110 . TYR . 5958 1 111 . MET . 5958 1 112 . VAL . 5958 1 113 . TYR . 5958 1 114 . ALA . 5958 1 115 . SER . 5958 1 116 . GLN . 5958 1 117 . GLU . 5958 1 118 . THR . 5958 1 119 . PHE . 5958 1 120 . GLY . 5958 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 5958 1 . PRO 2 2 5958 1 . SER 3 3 5958 1 . GLU 4 4 5958 1 . LYS 5 5 5958 1 . THR 6 6 5958 1 . PHE 7 7 5958 1 . LYS 8 8 5958 1 . GLN 9 9 5958 1 . ARG 10 10 5958 1 . ARG 11 11 5958 1 . THR 12 12 5958 1 . PHE 13 13 5958 1 . GLU 14 14 5958 1 . GLN 15 15 5958 1 . ARG 16 16 5958 1 . VAL 17 17 5958 1 . GLU 18 18 5958 1 . ASP 19 19 5958 1 . VAL 20 20 5958 1 . ARG 21 21 5958 1 . LEU 22 22 5958 1 . ILE 23 23 5958 1 . ARG 24 24 5958 1 . GLU 25 25 5958 1 . GLN 26 26 5958 1 . HIS 27 27 5958 1 . PRO 28 28 5958 1 . THR 29 29 5958 1 . LYS 30 30 5958 1 . ILE 31 31 5958 1 . PRO 32 32 5958 1 . VAL 33 33 5958 1 . ILE 34 34 5958 1 . ILE 35 35 5958 1 . GLU 36 36 5958 1 . ARG 37 37 5958 1 . TYR 38 38 5958 1 . LYS 39 39 5958 1 . GLY 40 40 5958 1 . GLU 41 41 5958 1 . LYS 42 42 5958 1 . GLN 43 43 5958 1 . LEU 44 44 5958 1 . PRO 45 45 5958 1 . VAL 46 46 5958 1 . LEU 47 47 5958 1 . ASP 48 48 5958 1 . LYS 49 49 5958 1 . THR 50 50 5958 1 . LYS 51 51 5958 1 . PHE 52 52 5958 1 . LEU 53 53 5958 1 . VAL 54 54 5958 1 . PRO 55 55 5958 1 . ASP 56 56 5958 1 . HIS 57 57 5958 1 . VAL 58 58 5958 1 . ASN 59 59 5958 1 . MET 60 60 5958 1 . SER 61 61 5958 1 . GLU 62 62 5958 1 . LEU 63 63 5958 1 . ILE 64 64 5958 1 . LYS 65 65 5958 1 . ILE 66 66 5958 1 . ILE 67 67 5958 1 . ARG 68 68 5958 1 . ARG 69 69 5958 1 . ARG 70 70 5958 1 . LEU 71 71 5958 1 . GLN 72 72 5958 1 . LEU 73 73 5958 1 . ASN 74 74 5958 1 . ALA 75 75 5958 1 . ASN 76 76 5958 1 . GLN 77 77 5958 1 . ALA 78 78 5958 1 . PHE 79 79 5958 1 . PHE 80 80 5958 1 . LEU 81 81 5958 1 . LEU 82 82 5958 1 . VAL 83 83 5958 1 . ASN 84 84 5958 1 . GLY 85 85 5958 1 . HIS 86 86 5958 1 . SER 87 87 5958 1 . MET 88 88 5958 1 . VAL 89 89 5958 1 . SER 90 90 5958 1 . VAL 91 91 5958 1 . SER 92 92 5958 1 . THR 93 93 5958 1 . PRO 94 94 5958 1 . ILE 95 95 5958 1 . SER 96 96 5958 1 . GLU 97 97 5958 1 . VAL 98 98 5958 1 . TYR 99 99 5958 1 . GLU 100 100 5958 1 . SER 101 101 5958 1 . GLU 102 102 5958 1 . LYS 103 103 5958 1 . ASP 104 104 5958 1 . GLU 105 105 5958 1 . ASP 106 106 5958 1 . GLY 107 107 5958 1 . PHE 108 108 5958 1 . LEU 109 109 5958 1 . TYR 110 110 5958 1 . MET 111 111 5958 1 . VAL 112 112 5958 1 . TYR 113 113 5958 1 . ALA 114 114 5958 1 . SER 115 115 5958 1 . GLN 116 116 5958 1 . GLU 117 117 5958 1 . THR 118 118 5958 1 . PHE 119 119 5958 1 . GLY 120 120 5958 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 5958 _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 $MAP-LC3 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5958 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 5958 _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 $MAP-LC3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5958 _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 'microtubule-associated protein light chain-3' '[U-13C; U-15N]' . . 1 $MAP-LC3 . . . 0.8 1.0 mM . . . . 5958 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5958 _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 'microtubule-associated protein light chain-3' . . . 1 $MAP-LC3 . . . 0.8 1.0 mM . . . . 5958 2 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 5958 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 n/a 5958 1 temperature 298 0.5 K 5958 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 5958 _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 5958 _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 . . . 5958 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 5958 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H,15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 3 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 7 H(COO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 8 HBHA(CBCA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 1 9 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5958 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 5958 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H,15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5958 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5958 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCANH _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 5958 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5958 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5958 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _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 5958 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(COO)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 5958 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CBCA)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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5958 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HBHA(CBCACO)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_ #################### # 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 5958 _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 . . . . . . . . . 5958 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5958 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5958 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 5958 _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 . 5958 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 8.45 0.05 . 1 . . . . . . . . 5958 1 2 . 1 1 1 1 MET HA H 1 4.84 0.05 . 1 . . . . . . . . 5958 1 3 . 1 1 1 1 MET C C 13 174.32 0.58 . 1 . . . . . . . . 5958 1 4 . 1 1 1 1 MET CA C 13 53.66 0.58 . 1 . . . . . . . . 5958 1 5 . 1 1 1 1 MET N N 15 123.51 0.50 . 1 . . . . . . . . 5958 1 6 . 1 1 2 2 PRO HA H 1 4.45 0.05 . 1 . . . . . . . . 5958 1 7 . 1 1 2 2 PRO C C 13 176.94 0.58 . 1 . . . . . . . . 5958 1 8 . 1 1 2 2 PRO CA C 13 63.45 0.58 . 1 . . . . . . . . 5958 1 9 . 1 1 3 3 SER H H 1 8.39 0.05 . 1 . . . . . . . . 5958 1 10 . 1 1 3 3 SER HA H 1 4.44 0.05 . 1 . . . . . . . . 5958 1 11 . 1 1 3 3 SER C C 13 174.67 0.58 . 1 . . . . . . . . 5958 1 12 . 1 1 3 3 SER CA C 13 58.34 0.58 . 1 . . . . . . . . 5958 1 13 . 1 1 3 3 SER N N 15 115.62 0.50 . 1 . . . . . . . . 5958 1 14 . 1 1 4 4 GLU H H 1 8.49 0.05 . 1 . . . . . . . . 5958 1 15 . 1 1 4 4 GLU HA H 1 4.33 0.05 . 1 . . . . . . . . 5958 1 16 . 1 1 4 4 GLU C C 13 176.43 0.58 . 1 . . . . . . . . 5958 1 17 . 1 1 4 4 GLU CA C 13 56.66 0.58 . 1 . . . . . . . . 5958 1 18 . 1 1 4 4 GLU N N 15 123.42 0.50 . 1 . . . . . . . . 5958 1 19 . 1 1 5 5 LYS H H 1 8.27 0.05 . 1 . . . . . . . . 5958 1 20 . 1 1 5 5 LYS HA H 1 4.52 0.05 . 1 . . . . . . . . 5958 1 21 . 1 1 5 5 LYS C C 13 177.23 0.58 . 1 . . . . . . . . 5958 1 22 . 1 1 5 5 LYS CA C 13 56.12 0.58 . 1 . . . . . . . . 5958 1 23 . 1 1 5 5 LYS N N 15 122.01 0.50 . 1 . . . . . . . . 5958 1 24 . 1 1 6 6 THR H H 1 8.46 0.05 . 1 . . . . . . . . 5958 1 25 . 1 1 6 6 THR HA H 1 4.46 0.05 . 1 . . . . . . . . 5958 1 26 . 1 1 6 6 THR C C 13 175.53 0.58 . 1 . . . . . . . . 5958 1 27 . 1 1 6 6 THR CA C 13 61.23 0.58 . 1 . . . . . . . . 5958 1 28 . 1 1 6 6 THR N N 15 115.00 0.50 . 1 . . . . . . . . 5958 1 29 . 1 1 7 7 PHE H H 1 10.33 0.05 . 1 . . . . . . . . 5958 1 30 . 1 1 7 7 PHE HA H 1 4.00 0.05 . 1 . . . . . . . . 5958 1 31 . 1 1 7 7 PHE C C 13 177.61 0.58 . 1 . . . . . . . . 5958 1 32 . 1 1 7 7 PHE CA C 13 63.62 0.58 . 1 . . . . . . . . 5958 1 33 . 1 1 7 7 PHE N N 15 125.49 0.50 . 1 . . . . . . . . 5958 1 34 . 1 1 8 8 LYS H H 1 8.78 0.05 . 1 . . . . . . . . 5958 1 35 . 1 1 8 8 LYS HA H 1 3.90 0.05 . 1 . . . . . . . . 5958 1 36 . 1 1 8 8 LYS C C 13 177.44 0.58 . 1 . . . . . . . . 5958 1 37 . 1 1 8 8 LYS CA C 13 59.83 0.58 . 1 . . . . . . . . 5958 1 38 . 1 1 8 8 LYS N N 15 114.61 0.50 . 1 . . . . . . . . 5958 1 39 . 1 1 9 9 GLN H H 1 7.40 0.05 . 1 . . . . . . . . 5958 1 40 . 1 1 9 9 GLN HA H 1 4.19 0.05 . 1 . . . . . . . . 5958 1 41 . 1 1 9 9 GLN C C 13 177.55 0.58 . 1 . . . . . . . . 5958 1 42 . 1 1 9 9 GLN CA C 13 56.98 0.58 . 1 . . . . . . . . 5958 1 43 . 1 1 9 9 GLN N N 15 113.64 0.50 . 1 . . . . . . . . 5958 1 44 . 1 1 10 10 ARG H H 1 7.91 0.05 . 1 . . . . . . . . 5958 1 45 . 1 1 10 10 ARG HA H 1 4.24 0.05 . 1 . . . . . . . . 5958 1 46 . 1 1 10 10 ARG C C 13 175.50 0.58 . 1 . . . . . . . . 5958 1 47 . 1 1 10 10 ARG CA C 13 57.45 0.58 . 1 . . . . . . . . 5958 1 48 . 1 1 10 10 ARG N N 15 118.49 0.50 . 1 . . . . . . . . 5958 1 49 . 1 1 11 11 ARG H H 1 7.39 0.05 . 1 . . . . . . . . 5958 1 50 . 1 1 11 11 ARG HA H 1 4.69 0.05 . 1 . . . . . . . . 5958 1 51 . 1 1 11 11 ARG C C 13 175.87 0.58 . 1 . . . . . . . . 5958 1 52 . 1 1 11 11 ARG CA C 13 53.73 0.58 . 1 . . . . . . . . 5958 1 53 . 1 1 11 11 ARG N N 15 120.38 0.50 . 1 . . . . . . . . 5958 1 54 . 1 1 12 12 THR H H 1 8.83 0.05 . 1 . . . . . . . . 5958 1 55 . 1 1 12 12 THR HA H 1 4.40 0.05 . 1 . . . . . . . . 5958 1 56 . 1 1 12 12 THR C C 13 174.97 0.58 . 1 . . . . . . . . 5958 1 57 . 1 1 12 12 THR CA C 13 61.63 0.58 . 1 . . . . . . . . 5958 1 58 . 1 1 12 12 THR N N 15 116.01 0.50 . 1 . . . . . . . . 5958 1 59 . 1 1 13 13 PHE H H 1 9.25 0.05 . 1 . . . . . . . . 5958 1 60 . 1 1 13 13 PHE HA H 1 4.06 0.05 . 1 . . . . . . . . 5958 1 61 . 1 1 13 13 PHE C C 13 176.48 0.58 . 1 . . . . . . . . 5958 1 62 . 1 1 13 13 PHE CA C 13 62.92 0.58 . 1 . . . . . . . . 5958 1 63 . 1 1 13 13 PHE N N 15 123.38 0.50 . 1 . . . . . . . . 5958 1 64 . 1 1 14 14 GLU H H 1 8.97 0.05 . 1 . . . . . . . . 5958 1 65 . 1 1 14 14 GLU HA H 1 3.81 0.05 . 1 . . . . . . . . 5958 1 66 . 1 1 14 14 GLU C C 13 179.33 0.58 . 1 . . . . . . . . 5958 1 67 . 1 1 14 14 GLU CA C 13 60.63 0.58 . 1 . . . . . . . . 5958 1 68 . 1 1 14 14 GLU N N 15 115.59 0.50 . 1 . . . . . . . . 5958 1 69 . 1 1 15 15 GLN H H 1 7.70 0.05 . 1 . . . . . . . . 5958 1 70 . 1 1 15 15 GLN HA H 1 4.00 0.05 . 1 . . . . . . . . 5958 1 71 . 1 1 15 15 GLN C C 13 178.36 0.58 . 1 . . . . . . . . 5958 1 72 . 1 1 15 15 GLN CA C 13 58.78 0.58 . 1 . . . . . . . . 5958 1 73 . 1 1 15 15 GLN N N 15 119.26 0.50 . 1 . . . . . . . . 5958 1 74 . 1 1 16 16 ARG H H 1 8.63 0.05 . 1 . . . . . . . . 5958 1 75 . 1 1 16 16 ARG HA H 1 4.28 0.05 . 1 . . . . . . . . 5958 1 76 . 1 1 16 16 ARG C C 13 177.36 0.58 . 1 . . . . . . . . 5958 1 77 . 1 1 16 16 ARG CA C 13 61.39 0.58 . 1 . . . . . . . . 5958 1 78 . 1 1 16 16 ARG N N 15 121.67 0.50 . 1 . . . . . . . . 5958 1 79 . 1 1 17 17 VAL H H 1 8.36 0.05 . 1 . . . . . . . . 5958 1 80 . 1 1 17 17 VAL HA H 1 3.81 0.05 . 1 . . . . . . . . 5958 1 81 . 1 1 17 17 VAL C C 13 179.73 0.58 . 1 . . . . . . . . 5958 1 82 . 1 1 17 17 VAL CA C 13 65.97 0.58 . 1 . . . . . . . . 5958 1 83 . 1 1 17 17 VAL N N 15 118.33 0.50 . 1 . . . . . . . . 5958 1 84 . 1 1 18 18 GLU H H 1 7.45 0.05 . 1 . . . . . . . . 5958 1 85 . 1 1 18 18 GLU HA H 1 4.30 0.05 . 1 . . . . . . . . 5958 1 86 . 1 1 18 18 GLU C C 13 177.83 0.58 . 1 . . . . . . . . 5958 1 87 . 1 1 18 18 GLU CA C 13 58.49 0.58 . 1 . . . . . . . . 5958 1 88 . 1 1 18 18 GLU N N 15 120.97 0.50 . 1 . . . . . . . . 5958 1 89 . 1 1 19 19 ASP H H 1 8.57 0.05 . 1 . . . . . . . . 5958 1 90 . 1 1 19 19 ASP HA H 1 4.41 0.05 . 1 . . . . . . . . 5958 1 91 . 1 1 19 19 ASP C C 13 179.56 0.58 . 1 . . . . . . . . 5958 1 92 . 1 1 19 19 ASP CA C 13 57.49 0.58 . 1 . . . . . . . . 5958 1 93 . 1 1 19 19 ASP N N 15 121.46 0.50 . 1 . . . . . . . . 5958 1 94 . 1 1 20 20 VAL H H 1 8.03 0.05 . 1 . . . . . . . . 5958 1 95 . 1 1 20 20 VAL HA H 1 3.12 0.05 . 1 . . . . . . . . 5958 1 96 . 1 1 20 20 VAL C C 13 177.29 0.58 . 1 . . . . . . . . 5958 1 97 . 1 1 20 20 VAL CA C 13 67.06 0.58 . 1 . . . . . . . . 5958 1 98 . 1 1 20 20 VAL N N 15 120.01 0.50 . 1 . . . . . . . . 5958 1 99 . 1 1 21 21 ARG H H 1 8.08 0.05 . 1 . . . . . . . . 5958 1 100 . 1 1 21 21 ARG HA H 1 3.85 0.05 . 1 . . . . . . . . 5958 1 101 . 1 1 21 21 ARG C C 13 179.64 0.58 . 1 . . . . . . . . 5958 1 102 . 1 1 21 21 ARG CA C 13 60.05 0.58 . 1 . . . . . . . . 5958 1 103 . 1 1 21 21 ARG N N 15 121.89 0.50 . 1 . . . . . . . . 5958 1 104 . 1 1 22 22 LEU H H 1 8.10 0.05 . 1 . . . . . . . . 5958 1 105 . 1 1 22 22 LEU HA H 1 4.08 0.05 . 1 . . . . . . . . 5958 1 106 . 1 1 22 22 LEU C C 13 179.94 0.58 . 1 . . . . . . . . 5958 1 107 . 1 1 22 22 LEU CA C 13 58.20 0.58 . 1 . . . . . . . . 5958 1 108 . 1 1 22 22 LEU N N 15 119.28 0.50 . 1 . . . . . . . . 5958 1 109 . 1 1 23 23 ILE H H 1 8.19 0.05 . 1 . . . . . . . . 5958 1 110 . 1 1 23 23 ILE HA H 1 3.75 0.05 . 1 . . . . . . . . 5958 1 111 . 1 1 23 23 ILE C C 13 177.78 0.58 . 1 . . . . . . . . 5958 1 112 . 1 1 23 23 ILE CA C 13 65.87 0.58 . 1 . . . . . . . . 5958 1 113 . 1 1 23 23 ILE N N 15 121.57 0.50 . 1 . . . . . . . . 5958 1 114 . 1 1 24 24 ARG H H 1 8.67 0.05 . 1 . . . . . . . . 5958 1 115 . 1 1 24 24 ARG HA H 1 4.02 0.05 . 1 . . . . . . . . 5958 1 116 . 1 1 24 24 ARG C C 13 178.42 0.58 . 1 . . . . . . . . 5958 1 117 . 1 1 24 24 ARG CA C 13 58.20 0.58 . 1 . . . . . . . . 5958 1 118 . 1 1 24 24 ARG N N 15 118.63 0.50 . 1 . . . . . . . . 5958 1 119 . 1 1 25 25 GLU H H 1 7.61 0.05 . 1 . . . . . . . . 5958 1 120 . 1 1 25 25 GLU HA H 1 4.06 0.05 . 1 . . . . . . . . 5958 1 121 . 1 1 25 25 GLU C C 13 178.25 0.58 . 1 . . . . . . . . 5958 1 122 . 1 1 25 25 GLU CA C 13 58.71 0.58 . 1 . . . . . . . . 5958 1 123 . 1 1 25 25 GLU N N 15 116.89 0.50 . 1 . . . . . . . . 5958 1 124 . 1 1 26 26 GLN H H 1 7.90 0.05 . 1 . . . . . . . . 5958 1 125 . 1 1 26 26 GLN HA H 1 3.99 0.05 . 1 . . . . . . . . 5958 1 126 . 1 1 26 26 GLN C C 13 176.13 0.58 . 1 . . . . . . . . 5958 1 127 . 1 1 26 26 GLN CA C 13 57.70 0.58 . 1 . . . . . . . . 5958 1 128 . 1 1 26 26 GLN N N 15 116.29 0.50 . 1 . . . . . . . . 5958 1 129 . 1 1 27 27 HIS H H 1 8.69 0.05 . 1 . . . . . . . . 5958 1 130 . 1 1 27 27 HIS HA H 1 5.01 0.05 . 1 . . . . . . . . 5958 1 131 . 1 1 27 27 HIS C C 13 173.24 0.58 . 1 . . . . . . . . 5958 1 132 . 1 1 27 27 HIS CA C 13 53.03 0.58 . 1 . . . . . . . . 5958 1 133 . 1 1 27 27 HIS N N 15 117.05 0.50 . 1 . . . . . . . . 5958 1 134 . 1 1 29 29 THR H H 1 7.89 0.05 . 1 . . . . . . . . 5958 1 135 . 1 1 29 29 THR HA H 1 4.62 0.05 . 1 . . . . . . . . 5958 1 136 . 1 1 29 29 THR C C 13 172.70 0.58 . 1 . . . . . . . . 5958 1 137 . 1 1 29 29 THR CA C 13 61.08 0.58 . 1 . . . . . . . . 5958 1 138 . 1 1 29 29 THR N N 15 107.47 0.50 . 1 . . . . . . . . 5958 1 139 . 1 1 30 30 LYS H H 1 7.47 0.05 . 1 . . . . . . . . 5958 1 140 . 1 1 30 30 LYS HA H 1 4.93 0.05 . 1 . . . . . . . . 5958 1 141 . 1 1 30 30 LYS C C 13 174.66 0.58 . 1 . . . . . . . . 5958 1 142 . 1 1 30 30 LYS CA C 13 53.23 0.58 . 1 . . . . . . . . 5958 1 143 . 1 1 30 30 LYS N N 15 117.52 0.50 . 1 . . . . . . . . 5958 1 144 . 1 1 31 31 ILE H H 1 9.44 0.05 . 1 . . . . . . . . 5958 1 145 . 1 1 31 31 ILE HA H 1 4.16 0.05 . 1 . . . . . . . . 5958 1 146 . 1 1 31 31 ILE C C 13 174.56 0.58 . 1 . . . . . . . . 5958 1 147 . 1 1 31 31 ILE CA C 13 55.26 0.58 . 1 . . . . . . . . 5958 1 148 . 1 1 31 31 ILE N N 15 123.24 0.50 . 1 . . . . . . . . 5958 1 149 . 1 1 32 32 PRO HA H 1 4.93 0.05 . 1 . . . . . . . . 5958 1 150 . 1 1 32 32 PRO C C 13 173.88 0.58 . 1 . . . . . . . . 5958 1 151 . 1 1 32 32 PRO CA C 13 61.70 0.58 . 1 . . . . . . . . 5958 1 152 . 1 1 33 33 VAL H H 1 8.96 0.05 . 1 . . . . . . . . 5958 1 153 . 1 1 33 33 VAL HA H 1 5.13 0.05 . 1 . . . . . . . . 5958 1 154 . 1 1 33 33 VAL C C 13 173.84 0.58 . 1 . . . . . . . . 5958 1 155 . 1 1 33 33 VAL CA C 13 60.38 0.58 . 1 . . . . . . . . 5958 1 156 . 1 1 33 33 VAL N N 15 126.69 0.50 . 1 . . . . . . . . 5958 1 157 . 1 1 34 34 ILE H H 1 8.86 0.05 . 1 . . . . . . . . 5958 1 158 . 1 1 34 34 ILE HA H 1 4.73 0.05 . 1 . . . . . . . . 5958 1 159 . 1 1 34 34 ILE C C 13 175.15 0.58 . 1 . . . . . . . . 5958 1 160 . 1 1 34 34 ILE CA C 13 56.43 0.58 . 1 . . . . . . . . 5958 1 161 . 1 1 34 34 ILE N N 15 128.83 0.50 . 1 . . . . . . . . 5958 1 162 . 1 1 35 35 ILE H H 1 8.89 0.05 . 1 . . . . . . . . 5958 1 163 . 1 1 35 35 ILE HA H 1 4.87 0.05 . 1 . . . . . . . . 5958 1 164 . 1 1 35 35 ILE C C 13 175.07 0.58 . 1 . . . . . . . . 5958 1 165 . 1 1 35 35 ILE CA C 13 60.37 0.58 . 1 . . . . . . . . 5958 1 166 . 1 1 35 35 ILE N N 15 125.83 0.50 . 1 . . . . . . . . 5958 1 167 . 1 1 36 36 GLU H H 1 8.29 0.05 . 1 . . . . . . . . 5958 1 168 . 1 1 36 36 GLU HA H 1 4.86 0.05 . 1 . . . . . . . . 5958 1 169 . 1 1 36 36 GLU C C 13 173.66 0.58 . 1 . . . . . . . . 5958 1 170 . 1 1 36 36 GLU CA C 13 54.08 0.58 . 1 . . . . . . . . 5958 1 171 . 1 1 36 36 GLU N N 15 123.42 0.50 . 1 . . . . . . . . 5958 1 172 . 1 1 37 37 ARG H H 1 8.92 0.05 . 1 . . . . . . . . 5958 1 173 . 1 1 37 37 ARG HA H 1 2.74 0.05 . 1 . . . . . . . . 5958 1 174 . 1 1 37 37 ARG C C 13 176.29 0.58 . 1 . . . . . . . . 5958 1 175 . 1 1 37 37 ARG CA C 13 56.57 0.58 . 1 . . . . . . . . 5958 1 176 . 1 1 37 37 ARG N N 15 123.58 0.50 . 1 . . . . . . . . 5958 1 177 . 1 1 38 38 TYR H H 1 8.65 0.05 . 1 . . . . . . . . 5958 1 178 . 1 1 38 38 TYR HA H 1 4.41 0.05 . 1 . . . . . . . . 5958 1 179 . 1 1 38 38 TYR C C 13 177.21 0.58 . 1 . . . . . . . . 5958 1 180 . 1 1 38 38 TYR CA C 13 57.71 0.58 . 1 . . . . . . . . 5958 1 181 . 1 1 38 38 TYR N N 15 129.14 0.50 . 1 . . . . . . . . 5958 1 182 . 1 1 39 39 LYS H H 1 8.56 0.05 . 1 . . . . . . . . 5958 1 183 . 1 1 39 39 LYS HA H 1 3.87 0.05 . 1 . . . . . . . . 5958 1 184 . 1 1 39 39 LYS C C 13 176.34 0.58 . 1 . . . . . . . . 5958 1 185 . 1 1 39 39 LYS CA C 13 58.84 0.58 . 1 . . . . . . . . 5958 1 186 . 1 1 39 39 LYS N N 15 130.53 0.50 . 1 . . . . . . . . 5958 1 187 . 1 1 40 40 GLY H H 1 5.39 0.05 . 1 . . . . . . . . 5958 1 188 . 1 1 40 40 GLY HA2 H 1 3.31 0.05 . 2 . . . . . . . . 5958 1 189 . 1 1 40 40 GLY HA3 H 1 4.03 0.05 . 2 . . . . . . . . 5958 1 190 . 1 1 40 40 GLY C C 13 173.46 0.58 . 1 . . . . . . . . 5958 1 191 . 1 1 40 40 GLY CA C 13 44.69 0.58 . 1 . . . . . . . . 5958 1 192 . 1 1 40 40 GLY N N 15 104.55 0.50 . 1 . . . . . . . . 5958 1 193 . 1 1 41 41 GLU H H 1 7.47 0.05 . 1 . . . . . . . . 5958 1 194 . 1 1 41 41 GLU HA H 1 4.31 0.05 . 1 . . . . . . . . 5958 1 195 . 1 1 41 41 GLU C C 13 176.34 0.58 . 1 . . . . . . . . 5958 1 196 . 1 1 41 41 GLU CA C 13 56.40 0.58 . 1 . . . . . . . . 5958 1 197 . 1 1 41 41 GLU N N 15 123.12 0.50 . 1 . . . . . . . . 5958 1 198 . 1 1 42 42 LYS H H 1 8.27 0.05 . 1 . . . . . . . . 5958 1 199 . 1 1 42 42 LYS HA H 1 4.69 0.05 . 1 . . . . . . . . 5958 1 200 . 1 1 42 42 LYS CA C 13 55.78 0.58 . 1 . . . . . . . . 5958 1 201 . 1 1 42 42 LYS N N 15 123.35 0.50 . 1 . . . . . . . . 5958 1 202 . 1 1 43 43 GLN H H 1 8.39 0.05 . 1 . . . . . . . . 5958 1 203 . 1 1 43 43 GLN HA H 1 4.54 0.05 . 1 . . . . . . . . 5958 1 204 . 1 1 43 43 GLN C C 13 177.21 0.58 . 1 . . . . . . . . 5958 1 205 . 1 1 43 43 GLN CA C 13 57.65 0.58 . 1 . . . . . . . . 5958 1 206 . 1 1 43 43 GLN N N 15 119.43 0.50 . 1 . . . . . . . . 5958 1 207 . 1 1 44 44 LEU H H 1 9.19 0.05 . 1 . . . . . . . . 5958 1 208 . 1 1 44 44 LEU HA H 1 4.74 0.05 . 1 . . . . . . . . 5958 1 209 . 1 1 44 44 LEU C C 13 174.34 0.58 . 1 . . . . . . . . 5958 1 210 . 1 1 44 44 LEU CA C 13 53.13 0.58 . 1 . . . . . . . . 5958 1 211 . 1 1 44 44 LEU N N 15 121.08 0.50 . 1 . . . . . . . . 5958 1 212 . 1 1 45 45 PRO HA H 1 4.73 0.05 . 1 . . . . . . . . 5958 1 213 . 1 1 45 45 PRO C C 13 175.85 0.58 . 1 . . . . . . . . 5958 1 214 . 1 1 45 45 PRO CA C 13 62.11 0.58 . 1 . . . . . . . . 5958 1 215 . 1 1 46 46 VAL H H 1 8.43 0.05 . 1 . . . . . . . . 5958 1 216 . 1 1 46 46 VAL HA H 1 3.91 0.05 . 1 . . . . . . . . 5958 1 217 . 1 1 46 46 VAL C C 13 175.37 0.58 . 1 . . . . . . . . 5958 1 218 . 1 1 46 46 VAL CA C 13 62.90 0.58 . 1 . . . . . . . . 5958 1 219 . 1 1 46 46 VAL N N 15 118.58 0.50 . 1 . . . . . . . . 5958 1 220 . 1 1 47 47 LEU H H 1 7.88 0.05 . 1 . . . . . . . . 5958 1 221 . 1 1 47 47 LEU HA H 1 4.44 0.05 . 1 . . . . . . . . 5958 1 222 . 1 1 47 47 LEU C C 13 176.40 0.58 . 1 . . . . . . . . 5958 1 223 . 1 1 47 47 LEU CA C 13 54.69 0.58 . 1 . . . . . . . . 5958 1 224 . 1 1 47 47 LEU N N 15 128.96 0.50 . 1 . . . . . . . . 5958 1 225 . 1 1 48 48 ASP H H 1 8.67 0.05 . 1 . . . . . . . . 5958 1 226 . 1 1 48 48 ASP HA H 1 4.38 0.05 . 1 . . . . . . . . 5958 1 227 . 1 1 48 48 ASP C C 13 174.78 0.58 . 1 . . . . . . . . 5958 1 228 . 1 1 48 48 ASP CA C 13 55.04 0.58 . 1 . . . . . . . . 5958 1 229 . 1 1 48 48 ASP N N 15 121.92 0.50 . 1 . . . . . . . . 5958 1 230 . 1 1 49 49 LYS H H 1 7.28 0.05 . 1 . . . . . . . . 5958 1 231 . 1 1 49 49 LYS HA H 1 4.48 0.05 . 1 . . . . . . . . 5958 1 232 . 1 1 49 49 LYS C C 13 174.07 0.58 . 1 . . . . . . . . 5958 1 233 . 1 1 49 49 LYS CA C 13 55.53 0.58 . 1 . . . . . . . . 5958 1 234 . 1 1 49 49 LYS N N 15 119.53 0.50 . 1 . . . . . . . . 5958 1 235 . 1 1 50 50 THR H H 1 8.19 0.05 . 1 . . . . . . . . 5958 1 236 . 1 1 50 50 THR HA H 1 4.81 0.05 . 1 . . . . . . . . 5958 1 237 . 1 1 50 50 THR C C 13 172.14 0.58 . 1 . . . . . . . . 5958 1 238 . 1 1 50 50 THR CA C 13 63.17 0.58 . 1 . . . . . . . . 5958 1 239 . 1 1 50 50 THR N N 15 115.25 0.50 . 1 . . . . . . . . 5958 1 240 . 1 1 51 51 LYS H H 1 7.42 0.05 . 1 . . . . . . . . 5958 1 241 . 1 1 51 51 LYS HA H 1 4.82 0.05 . 1 . . . . . . . . 5958 1 242 . 1 1 51 51 LYS C C 13 175.01 0.58 . 1 . . . . . . . . 5958 1 243 . 1 1 51 51 LYS CA C 13 55.31 0.58 . 1 . . . . . . . . 5958 1 244 . 1 1 51 51 LYS N N 15 121.95 0.50 . 1 . . . . . . . . 5958 1 245 . 1 1 52 52 PHE H H 1 9.77 0.05 . 1 . . . . . . . . 5958 1 246 . 1 1 52 52 PHE HA H 1 4.45 0.05 . 1 . . . . . . . . 5958 1 247 . 1 1 52 52 PHE C C 13 173.37 0.58 . 1 . . . . . . . . 5958 1 248 . 1 1 52 52 PHE CA C 13 56.77 0.58 . 1 . . . . . . . . 5958 1 249 . 1 1 52 52 PHE N N 15 126.79 0.50 . 1 . . . . . . . . 5958 1 250 . 1 1 53 53 LEU H H 1 8.54 0.05 . 1 . . . . . . . . 5958 1 251 . 1 1 53 53 LEU HA H 1 4.80 0.05 . 1 . . . . . . . . 5958 1 252 . 1 1 53 53 LEU C C 13 176.22 0.58 . 1 . . . . . . . . 5958 1 253 . 1 1 53 53 LEU CA C 13 52.99 0.58 . 1 . . . . . . . . 5958 1 254 . 1 1 53 53 LEU N N 15 123.28 0.50 . 1 . . . . . . . . 5958 1 255 . 1 1 54 54 VAL H H 1 8.84 0.05 . 1 . . . . . . . . 5958 1 256 . 1 1 54 54 VAL HA H 1 4.44 0.05 . 1 . . . . . . . . 5958 1 257 . 1 1 54 54 VAL C C 13 173.43 0.58 . 1 . . . . . . . . 5958 1 258 . 1 1 54 54 VAL CA C 13 59.76 0.58 . 1 . . . . . . . . 5958 1 259 . 1 1 54 54 VAL N N 15 127.18 0.50 . 1 . . . . . . . . 5958 1 260 . 1 1 55 55 PRO HA H 1 4.47 0.05 . 1 . . . . . . . . 5958 1 261 . 1 1 55 55 PRO C C 13 176.93 0.58 . 1 . . . . . . . . 5958 1 262 . 1 1 55 55 PRO CA C 13 64.35 0.58 . 1 . . . . . . . . 5958 1 263 . 1 1 56 56 ASP H H 1 8.39 0.05 . 1 . . . . . . . . 5958 1 264 . 1 1 56 56 ASP HA H 1 3.88 0.05 . 1 . . . . . . . . 5958 1 265 . 1 1 56 56 ASP C C 13 176.43 0.58 . 1 . . . . . . . . 5958 1 266 . 1 1 56 56 ASP CA C 13 56.38 0.58 . 1 . . . . . . . . 5958 1 267 . 1 1 56 56 ASP N N 15 119.83 0.50 . 1 . . . . . . . . 5958 1 268 . 1 1 57 57 HIS H H 1 7.46 0.05 . 1 . . . . . . . . 5958 1 269 . 1 1 57 57 HIS HA H 1 4.87 0.05 . 1 . . . . . . . . 5958 1 270 . 1 1 57 57 HIS C C 13 176.63 0.58 . 1 . . . . . . . . 5958 1 271 . 1 1 57 57 HIS CA C 13 55.92 0.58 . 1 . . . . . . . . 5958 1 272 . 1 1 57 57 HIS N N 15 114.55 0.50 . 1 . . . . . . . . 5958 1 273 . 1 1 58 58 VAL H H 1 7.05 0.05 . 1 . . . . . . . . 5958 1 274 . 1 1 58 58 VAL HA H 1 4.16 0.05 . 1 . . . . . . . . 5958 1 275 . 1 1 58 58 VAL C C 13 175.23 0.58 . 1 . . . . . . . . 5958 1 276 . 1 1 58 58 VAL CA C 13 61.78 0.58 . 1 . . . . . . . . 5958 1 277 . 1 1 58 58 VAL N N 15 118.97 0.50 . 1 . . . . . . . . 5958 1 278 . 1 1 59 59 ASN H H 1 8.44 0.05 . 1 . . . . . . . . 5958 1 279 . 1 1 59 59 ASN HA H 1 5.23 0.05 . 1 . . . . . . . . 5958 1 280 . 1 1 59 59 ASN C C 13 176.50 0.58 . 1 . . . . . . . . 5958 1 281 . 1 1 59 59 ASN CA C 13 51.25 0.58 . 1 . . . . . . . . 5958 1 282 . 1 1 59 59 ASN N N 15 120.39 0.50 . 1 . . . . . . . . 5958 1 283 . 1 1 60 60 MET H H 1 8.15 0.05 . 1 . . . . . . . . 5958 1 284 . 1 1 60 60 MET HA H 1 4.37 0.05 . 1 . . . . . . . . 5958 1 285 . 1 1 60 60 MET C C 13 178.07 0.58 . 1 . . . . . . . . 5958 1 286 . 1 1 60 60 MET CA C 13 57.20 0.58 . 1 . . . . . . . . 5958 1 287 . 1 1 60 60 MET N N 15 117.96 0.50 . 1 . . . . . . . . 5958 1 288 . 1 1 61 61 SER H H 1 8.57 0.05 . 1 . . . . . . . . 5958 1 289 . 1 1 61 61 SER HA H 1 4.08 0.05 . 1 . . . . . . . . 5958 1 290 . 1 1 61 61 SER C C 13 176.86 0.58 . 1 . . . . . . . . 5958 1 291 . 1 1 61 61 SER CA C 13 61.71 0.58 . 1 . . . . . . . . 5958 1 292 . 1 1 61 61 SER N N 15 114.19 0.50 . 1 . . . . . . . . 5958 1 293 . 1 1 62 62 GLU H H 1 7.94 0.05 . 1 . . . . . . . . 5958 1 294 . 1 1 62 62 GLU HA H 1 4.13 0.05 . 1 . . . . . . . . 5958 1 295 . 1 1 62 62 GLU C C 13 178.50 0.58 . 1 . . . . . . . . 5958 1 296 . 1 1 62 62 GLU CA C 13 58.74 0.58 . 1 . . . . . . . . 5958 1 297 . 1 1 62 62 GLU N N 15 123.04 0.50 . 1 . . . . . . . . 5958 1 298 . 1 1 63 63 LEU H H 1 7.75 0.05 . 1 . . . . . . . . 5958 1 299 . 1 1 63 63 LEU HA H 1 4.09 0.05 . 1 . . . . . . . . 5958 1 300 . 1 1 63 63 LEU C C 13 177.85 0.58 . 1 . . . . . . . . 5958 1 301 . 1 1 63 63 LEU CA C 13 57.76 0.58 . 1 . . . . . . . . 5958 1 302 . 1 1 63 63 LEU N N 15 121.03 0.50 . 1 . . . . . . . . 5958 1 303 . 1 1 64 64 ILE H H 1 8.40 0.05 . 1 . . . . . . . . 5958 1 304 . 1 1 64 64 ILE HA H 1 3.38 0.05 . 1 . . . . . . . . 5958 1 305 . 1 1 64 64 ILE C C 13 177.18 0.58 . 1 . . . . . . . . 5958 1 306 . 1 1 64 64 ILE CA C 13 66.57 0.58 . 1 . . . . . . . . 5958 1 307 . 1 1 64 64 ILE N N 15 118.95 0.50 . 1 . . . . . . . . 5958 1 308 . 1 1 65 65 LYS H H 1 7.47 0.05 . 1 . . . . . . . . 5958 1 309 . 1 1 65 65 LYS HA H 1 3.74 0.05 . 1 . . . . . . . . 5958 1 310 . 1 1 65 65 LYS C C 13 179.17 0.58 . 1 . . . . . . . . 5958 1 311 . 1 1 65 65 LYS CA C 13 60.53 0.58 . 1 . . . . . . . . 5958 1 312 . 1 1 65 65 LYS N N 15 118.46 0.50 . 1 . . . . . . . . 5958 1 313 . 1 1 66 66 ILE H H 1 7.92 0.05 . 1 . . . . . . . . 5958 1 314 . 1 1 66 66 ILE HA H 1 3.60 0.05 . 1 . . . . . . . . 5958 1 315 . 1 1 66 66 ILE C C 13 178.87 0.58 . 1 . . . . . . . . 5958 1 316 . 1 1 66 66 ILE CA C 13 65.62 0.58 . 1 . . . . . . . . 5958 1 317 . 1 1 66 66 ILE N N 15 119.91 0.50 . 1 . . . . . . . . 5958 1 318 . 1 1 67 67 ILE H H 1 8.11 0.05 . 1 . . . . . . . . 5958 1 319 . 1 1 67 67 ILE HA H 1 3.44 0.05 . 1 . . . . . . . . 5958 1 320 . 1 1 67 67 ILE C C 13 177.60 0.58 . 1 . . . . . . . . 5958 1 321 . 1 1 67 67 ILE CA C 13 63.55 0.58 . 1 . . . . . . . . 5958 1 322 . 1 1 67 67 ILE N N 15 120.61 0.50 . 1 . . . . . . . . 5958 1 323 . 1 1 68 68 ARG H H 1 8.50 0.05 . 1 . . . . . . . . 5958 1 324 . 1 1 68 68 ARG HA H 1 3.03 0.05 . 1 . . . . . . . . 5958 1 325 . 1 1 68 68 ARG C C 13 178.58 0.58 . 1 . . . . . . . . 5958 1 326 . 1 1 68 68 ARG CA C 13 60.80 0.58 . 1 . . . . . . . . 5958 1 327 . 1 1 68 68 ARG N N 15 118.98 0.50 . 1 . . . . . . . . 5958 1 328 . 1 1 69 69 ARG H H 1 7.63 0.05 . 1 . . . . . . . . 5958 1 329 . 1 1 69 69 ARG HA H 1 4.15 0.05 . 1 . . . . . . . . 5958 1 330 . 1 1 69 69 ARG C C 13 180.18 0.58 . 1 . . . . . . . . 5958 1 331 . 1 1 69 69 ARG CA C 13 58.79 0.58 . 1 . . . . . . . . 5958 1 332 . 1 1 69 69 ARG N N 15 116.52 0.50 . 1 . . . . . . . . 5958 1 333 . 1 1 70 70 ARG H H 1 8.00 0.05 . 1 . . . . . . . . 5958 1 334 . 1 1 70 70 ARG HA H 1 4.07 0.05 . 1 . . . . . . . . 5958 1 335 . 1 1 70 70 ARG C C 13 178.58 0.58 . 1 . . . . . . . . 5958 1 336 . 1 1 70 70 ARG CA C 13 59.14 0.58 . 1 . . . . . . . . 5958 1 337 . 1 1 70 70 ARG N N 15 122.48 0.50 . 1 . . . . . . . . 5958 1 338 . 1 1 71 71 LEU H H 1 7.82 0.05 . 1 . . . . . . . . 5958 1 339 . 1 1 71 71 LEU HA H 1 4.10 0.05 . 1 . . . . . . . . 5958 1 340 . 1 1 71 71 LEU C C 13 174.84 0.58 . 1 . . . . . . . . 5958 1 341 . 1 1 71 71 LEU CA C 13 55.11 0.58 . 1 . . . . . . . . 5958 1 342 . 1 1 71 71 LEU N N 15 116.61 0.50 . 1 . . . . . . . . 5958 1 343 . 1 1 72 72 GLN H H 1 7.71 0.05 . 1 . . . . . . . . 5958 1 344 . 1 1 72 72 GLN HA H 1 3.85 0.05 . 1 . . . . . . . . 5958 1 345 . 1 1 72 72 GLN C C 13 175.62 0.58 . 1 . . . . . . . . 5958 1 346 . 1 1 72 72 GLN CA C 13 56.36 0.58 . 1 . . . . . . . . 5958 1 347 . 1 1 72 72 GLN N N 15 114.88 0.50 . 1 . . . . . . . . 5958 1 348 . 1 1 73 73 LEU H H 1 7.54 0.05 . 1 . . . . . . . . 5958 1 349 . 1 1 73 73 LEU HA H 1 4.28 0.05 . 1 . . . . . . . . 5958 1 350 . 1 1 73 73 LEU C C 13 178.59 0.58 . 1 . . . . . . . . 5958 1 351 . 1 1 73 73 LEU CA C 13 54.39 0.58 . 1 . . . . . . . . 5958 1 352 . 1 1 73 73 LEU N N 15 115.33 0.50 . 1 . . . . . . . . 5958 1 353 . 1 1 74 74 ASN H H 1 8.98 0.05 . 1 . . . . . . . . 5958 1 354 . 1 1 74 74 ASN HA H 1 4.72 0.05 . 1 . . . . . . . . 5958 1 355 . 1 1 74 74 ASN C C 13 176.51 0.58 . 1 . . . . . . . . 5958 1 356 . 1 1 74 74 ASN CA C 13 52.74 0.58 . 1 . . . . . . . . 5958 1 357 . 1 1 74 74 ASN N N 15 121.70 0.50 . 1 . . . . . . . . 5958 1 358 . 1 1 75 75 ALA H H 1 8.72 0.05 . 1 . . . . . . . . 5958 1 359 . 1 1 75 75 ALA HA H 1 3.98 0.05 . 1 . . . . . . . . 5958 1 360 . 1 1 75 75 ALA C C 13 177.99 0.58 . 1 . . . . . . . . 5958 1 361 . 1 1 75 75 ALA CA C 13 54.86 0.58 . 1 . . . . . . . . 5958 1 362 . 1 1 75 75 ALA N N 15 123.85 0.50 . 1 . . . . . . . . 5958 1 363 . 1 1 76 76 ASN H H 1 8.36 0.05 . 1 . . . . . . . . 5958 1 364 . 1 1 76 76 ASN HA H 1 4.60 0.05 . 1 . . . . . . . . 5958 1 365 . 1 1 76 76 ASN C C 13 175.38 0.58 . 1 . . . . . . . . 5958 1 366 . 1 1 76 76 ASN CA C 13 53.20 0.58 . 1 . . . . . . . . 5958 1 367 . 1 1 76 76 ASN N N 15 112.42 0.50 . 1 . . . . . . . . 5958 1 368 . 1 1 77 77 GLN H H 1 7.56 0.05 . 1 . . . . . . . . 5958 1 369 . 1 1 77 77 GLN HA H 1 4.30 0.05 . 1 . . . . . . . . 5958 1 370 . 1 1 77 77 GLN C C 13 175.01 0.58 . 1 . . . . . . . . 5958 1 371 . 1 1 77 77 GLN CA C 13 55.93 0.58 . 1 . . . . . . . . 5958 1 372 . 1 1 77 77 GLN N N 15 120.58 0.50 . 1 . . . . . . . . 5958 1 373 . 1 1 78 78 ALA H H 1 8.73 0.05 . 1 . . . . . . . . 5958 1 374 . 1 1 78 78 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 5958 1 375 . 1 1 78 78 ALA C C 13 176.38 0.58 . 1 . . . . . . . . 5958 1 376 . 1 1 78 78 ALA CA C 13 52.85 0.58 . 1 . . . . . . . . 5958 1 377 . 1 1 78 78 ALA N N 15 130.53 0.50 . 1 . . . . . . . . 5958 1 378 . 1 1 79 79 PHE H H 1 7.57 0.05 . 1 . . . . . . . . 5958 1 379 . 1 1 79 79 PHE HA H 1 4.47 0.05 . 1 . . . . . . . . 5958 1 380 . 1 1 79 79 PHE C C 13 171.77 0.58 . 1 . . . . . . . . 5958 1 381 . 1 1 79 79 PHE CA C 13 58.97 0.58 . 1 . . . . . . . . 5958 1 382 . 1 1 79 79 PHE N N 15 119.19 0.50 . 1 . . . . . . . . 5958 1 383 . 1 1 80 80 PHE H H 1 8.50 0.05 . 1 . . . . . . . . 5958 1 384 . 1 1 80 80 PHE HA H 1 4.46 0.05 . 1 . . . . . . . . 5958 1 385 . 1 1 80 80 PHE C C 13 172.88 0.58 . 1 . . . . . . . . 5958 1 386 . 1 1 80 80 PHE CA C 13 56.68 0.58 . 1 . . . . . . . . 5958 1 387 . 1 1 80 80 PHE N N 15 125.94 0.50 . 1 . . . . . . . . 5958 1 388 . 1 1 81 81 LEU H H 1 8.32 0.05 . 1 . . . . . . . . 5958 1 389 . 1 1 81 81 LEU HA H 1 4.94 0.05 . 1 . . . . . . . . 5958 1 390 . 1 1 81 81 LEU C C 13 174.65 0.58 . 1 . . . . . . . . 5958 1 391 . 1 1 81 81 LEU CA C 13 53.26 0.58 . 1 . . . . . . . . 5958 1 392 . 1 1 81 81 LEU N N 15 121.40 0.50 . 1 . . . . . . . . 5958 1 393 . 1 1 82 82 LEU H H 1 9.21 0.05 . 1 . . . . . . . . 5958 1 394 . 1 1 82 82 LEU HA H 1 4.73 0.05 . 1 . . . . . . . . 5958 1 395 . 1 1 82 82 LEU C C 13 177.56 0.58 . 1 . . . . . . . . 5958 1 396 . 1 1 82 82 LEU CA C 13 53.95 0.58 . 1 . . . . . . . . 5958 1 397 . 1 1 82 82 LEU N N 15 124.55 0.50 . 1 . . . . . . . . 5958 1 398 . 1 1 83 83 VAL H H 1 8.92 0.05 . 1 . . . . . . . . 5958 1 399 . 1 1 83 83 VAL HA H 1 4.32 0.05 . 1 . . . . . . . . 5958 1 400 . 1 1 83 83 VAL C C 13 176.26 0.58 . 1 . . . . . . . . 5958 1 401 . 1 1 83 83 VAL CA C 13 62.49 0.58 . 1 . . . . . . . . 5958 1 402 . 1 1 83 83 VAL N N 15 125.93 0.50 . 1 . . . . . . . . 5958 1 403 . 1 1 84 84 ASN H H 1 9.70 0.05 . 1 . . . . . . . . 5958 1 404 . 1 1 84 84 ASN HA H 1 4.42 0.05 . 1 . . . . . . . . 5958 1 405 . 1 1 84 84 ASN C C 13 174.79 0.58 . 1 . . . . . . . . 5958 1 406 . 1 1 84 84 ASN CA C 13 54.88 0.58 . 1 . . . . . . . . 5958 1 407 . 1 1 84 84 ASN N N 15 125.83 0.50 . 1 . . . . . . . . 5958 1 408 . 1 1 85 85 GLY H H 1 8.34 0.05 . 1 . . . . . . . . 5958 1 409 . 1 1 85 85 GLY HA2 H 1 3.41 0.05 . 2 . . . . . . . . 5958 1 410 . 1 1 85 85 GLY HA3 H 1 4.13 0.05 . 2 . . . . . . . . 5958 1 411 . 1 1 85 85 GLY C C 13 173.50 0.58 . 1 . . . . . . . . 5958 1 412 . 1 1 85 85 GLY CA C 13 45.88 0.58 . 1 . . . . . . . . 5958 1 413 . 1 1 85 85 GLY N N 15 101.56 0.50 . 1 . . . . . . . . 5958 1 414 . 1 1 86 86 HIS H H 1 7.81 0.05 . 1 . . . . . . . . 5958 1 415 . 1 1 86 86 HIS HA H 1 4.99 0.05 . 1 . . . . . . . . 5958 1 416 . 1 1 86 86 HIS C C 13 174.00 0.58 . 1 . . . . . . . . 5958 1 417 . 1 1 86 86 HIS CA C 13 55.10 0.58 . 1 . . . . . . . . 5958 1 418 . 1 1 86 86 HIS N N 15 116.58 0.50 . 1 . . . . . . . . 5958 1 419 . 1 1 87 87 SER H H 1 8.60 0.05 . 1 . . . . . . . . 5958 1 420 . 1 1 87 87 SER HA H 1 4.72 0.05 . 1 . . . . . . . . 5958 1 421 . 1 1 87 87 SER C C 13 174.89 0.58 . 1 . . . . . . . . 5958 1 422 . 1 1 87 87 SER CA C 13 58.27 0.58 . 1 . . . . . . . . 5958 1 423 . 1 1 87 87 SER N N 15 117.44 0.50 . 1 . . . . . . . . 5958 1 424 . 1 1 88 88 MET H H 1 9.16 0.05 . 1 . . . . . . . . 5958 1 425 . 1 1 88 88 MET HA H 1 4.82 0.05 . 1 . . . . . . . . 5958 1 426 . 1 1 88 88 MET C C 13 176.33 0.58 . 1 . . . . . . . . 5958 1 427 . 1 1 88 88 MET CA C 13 55.09 0.58 . 1 . . . . . . . . 5958 1 428 . 1 1 88 88 MET N N 15 125.82 0.50 . 1 . . . . . . . . 5958 1 429 . 1 1 89 89 VAL H H 1 8.43 0.05 . 1 . . . . . . . . 5958 1 430 . 1 1 89 89 VAL HA H 1 4.21 0.05 . 1 . . . . . . . . 5958 1 431 . 1 1 89 89 VAL C C 13 176.07 0.58 . 1 . . . . . . . . 5958 1 432 . 1 1 89 89 VAL CA C 13 62.33 0.58 . 1 . . . . . . . . 5958 1 433 . 1 1 89 89 VAL N N 15 121.44 0.50 . 1 . . . . . . . . 5958 1 434 . 1 1 90 90 SER H H 1 8.47 0.05 . 1 . . . . . . . . 5958 1 435 . 1 1 90 90 SER HA H 1 4.63 0.05 . 1 . . . . . . . . 5958 1 436 . 1 1 90 90 SER C C 13 176.91 0.58 . 1 . . . . . . . . 5958 1 437 . 1 1 90 90 SER CA C 13 57.75 0.58 . 1 . . . . . . . . 5958 1 438 . 1 1 90 90 SER N N 15 118.07 0.50 . 1 . . . . . . . . 5958 1 439 . 1 1 91 91 VAL H H 1 8.41 0.05 . 1 . . . . . . . . 5958 1 440 . 1 1 91 91 VAL HA H 1 4.14 0.05 . 1 . . . . . . . . 5958 1 441 . 1 1 91 91 VAL CA C 13 63.97 0.58 . 1 . . . . . . . . 5958 1 442 . 1 1 91 91 VAL N N 15 119.97 0.50 . 1 . . . . . . . . 5958 1 443 . 1 1 92 92 SER H H 1 8.12 0.05 . 1 . . . . . . . . 5958 1 444 . 1 1 92 92 SER HA H 1 4.61 0.05 . 1 . . . . . . . . 5958 1 445 . 1 1 92 92 SER C C 13 174.28 0.58 . 1 . . . . . . . . 5958 1 446 . 1 1 92 92 SER CA C 13 57.94 0.58 . 1 . . . . . . . . 5958 1 447 . 1 1 92 92 SER N N 15 114.91 0.50 . 1 . . . . . . . . 5958 1 448 . 1 1 93 93 THR H H 1 7.55 0.05 . 1 . . . . . . . . 5958 1 449 . 1 1 93 93 THR HA H 1 4.42 0.05 . 1 . . . . . . . . 5958 1 450 . 1 1 93 93 THR C C 13 172.30 0.58 . 1 . . . . . . . . 5958 1 451 . 1 1 93 93 THR CA C 13 61.82 0.58 . 1 . . . . . . . . 5958 1 452 . 1 1 93 93 THR N N 15 120.38 0.50 . 1 . . . . . . . . 5958 1 453 . 1 1 94 94 PRO HA H 1 4.57 0.05 . 1 . . . . . . . . 5958 1 454 . 1 1 94 94 PRO C C 13 178.73 0.58 . 1 . . . . . . . . 5958 1 455 . 1 1 94 94 PRO CA C 13 63.42 0.58 . 1 . . . . . . . . 5958 1 456 . 1 1 95 95 ILE H H 1 9.30 0.05 . 1 . . . . . . . . 5958 1 457 . 1 1 95 95 ILE HA H 1 3.96 0.05 . 1 . . . . . . . . 5958 1 458 . 1 1 95 95 ILE C C 13 176.64 0.58 . 1 . . . . . . . . 5958 1 459 . 1 1 95 95 ILE CA C 13 63.46 0.58 . 1 . . . . . . . . 5958 1 460 . 1 1 95 95 ILE N N 15 125.69 0.50 . 1 . . . . . . . . 5958 1 461 . 1 1 96 96 SER H H 1 8.66 0.05 . 1 . . . . . . . . 5958 1 462 . 1 1 96 96 SER HA H 1 4.05 0.05 . 1 . . . . . . . . 5958 1 463 . 1 1 96 96 SER C C 13 176.63 0.58 . 1 . . . . . . . . 5958 1 464 . 1 1 96 96 SER CA C 13 61.70 0.58 . 1 . . . . . . . . 5958 1 465 . 1 1 96 96 SER N N 15 117.39 0.50 . 1 . . . . . . . . 5958 1 466 . 1 1 97 97 GLU H H 1 7.21 0.05 . 1 . . . . . . . . 5958 1 467 . 1 1 97 97 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 5958 1 468 . 1 1 97 97 GLU C C 13 179.28 0.58 . 1 . . . . . . . . 5958 1 469 . 1 1 97 97 GLU CA C 13 58.79 0.58 . 1 . . . . . . . . 5958 1 470 . 1 1 97 97 GLU N N 15 123.10 0.50 . 1 . . . . . . . . 5958 1 471 . 1 1 98 98 VAL H H 1 7.44 0.05 . 1 . . . . . . . . 5958 1 472 . 1 1 98 98 VAL HA H 1 3.80 0.05 . 1 . . . . . . . . 5958 1 473 . 1 1 98 98 VAL C C 13 177.72 0.58 . 1 . . . . . . . . 5958 1 474 . 1 1 98 98 VAL CA C 13 65.87 0.58 . 1 . . . . . . . . 5958 1 475 . 1 1 98 98 VAL N N 15 120.94 0.50 . 1 . . . . . . . . 5958 1 476 . 1 1 99 99 TYR H H 1 8.96 0.05 . 1 . . . . . . . . 5958 1 477 . 1 1 99 99 TYR HA H 1 4.02 0.05 . 1 . . . . . . . . 5958 1 478 . 1 1 99 99 TYR C C 13 176.04 0.58 . 1 . . . . . . . . 5958 1 479 . 1 1 99 99 TYR CA C 13 62.67 0.58 . 1 . . . . . . . . 5958 1 480 . 1 1 99 99 TYR N N 15 118.95 0.50 . 1 . . . . . . . . 5958 1 481 . 1 1 100 100 GLU H H 1 7.53 0.05 . 1 . . . . . . . . 5958 1 482 . 1 1 100 100 GLU HA H 1 3.87 0.05 . 1 . . . . . . . . 5958 1 483 . 1 1 100 100 GLU C C 13 178.00 0.58 . 1 . . . . . . . . 5958 1 484 . 1 1 100 100 GLU CA C 13 59.07 0.58 . 1 . . . . . . . . 5958 1 485 . 1 1 100 100 GLU N N 15 114.26 0.50 . 1 . . . . . . . . 5958 1 486 . 1 1 101 101 SER H H 1 7.46 0.05 . 1 . . . . . . . . 5958 1 487 . 1 1 101 101 SER HA H 1 4.53 0.05 . 1 . . . . . . . . 5958 1 488 . 1 1 101 101 SER C C 13 176.64 0.58 . 1 . . . . . . . . 5958 1 489 . 1 1 101 101 SER CA C 13 60.45 0.58 . 1 . . . . . . . . 5958 1 490 . 1 1 101 101 SER N N 15 108.97 0.50 . 1 . . . . . . . . 5958 1 491 . 1 1 102 102 GLU H H 1 8.45 0.05 . 1 . . . . . . . . 5958 1 492 . 1 1 102 102 GLU HA H 1 4.78 0.05 . 1 . . . . . . . . 5958 1 493 . 1 1 102 102 GLU C C 13 176.74 0.58 . 1 . . . . . . . . 5958 1 494 . 1 1 102 102 GLU CA C 13 55.56 0.58 . 1 . . . . . . . . 5958 1 495 . 1 1 102 102 GLU N N 15 116.59 0.50 . 1 . . . . . . . . 5958 1 496 . 1 1 103 103 LYS H H 1 7.78 0.05 . 1 . . . . . . . . 5958 1 497 . 1 1 103 103 LYS HA H 1 4.15 0.05 . 1 . . . . . . . . 5958 1 498 . 1 1 103 103 LYS C C 13 174.85 0.58 . 1 . . . . . . . . 5958 1 499 . 1 1 103 103 LYS CA C 13 57.44 0.58 . 1 . . . . . . . . 5958 1 500 . 1 1 103 103 LYS N N 15 118.57 0.50 . 1 . . . . . . . . 5958 1 501 . 1 1 104 104 ASP H H 1 9.04 0.05 . 1 . . . . . . . . 5958 1 502 . 1 1 104 104 ASP HA H 1 4.76 0.05 . 1 . . . . . . . . 5958 1 503 . 1 1 104 104 ASP C C 13 177.43 0.58 . 1 . . . . . . . . 5958 1 504 . 1 1 104 104 ASP CA C 13 53.86 0.58 . 1 . . . . . . . . 5958 1 505 . 1 1 104 104 ASP N N 15 123.75 0.50 . 1 . . . . . . . . 5958 1 506 . 1 1 105 105 GLU H H 1 8.88 0.05 . 1 . . . . . . . . 5958 1 507 . 1 1 105 105 GLU HA H 1 4.19 0.05 . 1 . . . . . . . . 5958 1 508 . 1 1 105 105 GLU C C 13 177.45 0.58 . 1 . . . . . . . . 5958 1 509 . 1 1 105 105 GLU CA C 13 59.63 0.58 . 1 . . . . . . . . 5958 1 510 . 1 1 105 105 GLU N N 15 125.39 0.50 . 1 . . . . . . . . 5958 1 511 . 1 1 106 106 ASP H H 1 9.95 0.05 . 1 . . . . . . . . 5958 1 512 . 1 1 106 106 ASP HA H 1 4.18 0.05 . 1 . . . . . . . . 5958 1 513 . 1 1 106 106 ASP C C 13 176.18 0.58 . 1 . . . . . . . . 5958 1 514 . 1 1 106 106 ASP CA C 13 54.86 0.58 . 1 . . . . . . . . 5958 1 515 . 1 1 106 106 ASP N N 15 118.82 0.50 . 1 . . . . . . . . 5958 1 516 . 1 1 107 107 GLY H H 1 7.97 0.05 . 1 . . . . . . . . 5958 1 517 . 1 1 107 107 GLY HA2 H 1 3.44 0.05 . 2 . . . . . . . . 5958 1 518 . 1 1 107 107 GLY HA3 H 1 4.51 0.05 . 2 . . . . . . . . 5958 1 519 . 1 1 107 107 GLY C C 13 175.19 0.58 . 1 . . . . . . . . 5958 1 520 . 1 1 107 107 GLY CA C 13 45.14 0.58 . 1 . . . . . . . . 5958 1 521 . 1 1 107 107 GLY N N 15 106.08 0.50 . 1 . . . . . . . . 5958 1 522 . 1 1 108 108 PHE H H 1 9.82 0.05 . 1 . . . . . . . . 5958 1 523 . 1 1 108 108 PHE HA H 1 4.69 0.05 . 1 . . . . . . . . 5958 1 524 . 1 1 108 108 PHE C C 13 174.67 0.58 . 1 . . . . . . . . 5958 1 525 . 1 1 108 108 PHE CA C 13 60.24 0.58 . 1 . . . . . . . . 5958 1 526 . 1 1 108 108 PHE N N 15 124.03 0.50 . 1 . . . . . . . . 5958 1 527 . 1 1 109 109 LEU H H 1 8.06 0.05 . 1 . . . . . . . . 5958 1 528 . 1 1 109 109 LEU HA H 1 5.03 0.05 . 1 . . . . . . . . 5958 1 529 . 1 1 109 109 LEU C C 13 173.82 0.58 . 1 . . . . . . . . 5958 1 530 . 1 1 109 109 LEU CA C 13 53.18 0.58 . 1 . . . . . . . . 5958 1 531 . 1 1 109 109 LEU N N 15 120.49 0.50 . 1 . . . . . . . . 5958 1 532 . 1 1 110 110 TYR H H 1 9.47 0.05 . 1 . . . . . . . . 5958 1 533 . 1 1 110 110 TYR HA H 1 5.03 0.05 . 1 . . . . . . . . 5958 1 534 . 1 1 110 110 TYR C C 13 176.71 0.58 . 1 . . . . . . . . 5958 1 535 . 1 1 110 110 TYR CA C 13 59.15 0.58 . 1 . . . . . . . . 5958 1 536 . 1 1 110 110 TYR N N 15 126.99 0.50 . 1 . . . . . . . . 5958 1 537 . 1 1 111 111 MET H H 1 9.56 0.05 . 1 . . . . . . . . 5958 1 538 . 1 1 111 111 MET HA H 1 5.47 0.05 . 1 . . . . . . . . 5958 1 539 . 1 1 111 111 MET C C 13 175.54 0.58 . 1 . . . . . . . . 5958 1 540 . 1 1 111 111 MET CA C 13 54.28 0.58 . 1 . . . . . . . . 5958 1 541 . 1 1 111 111 MET N N 15 118.78 0.50 . 1 . . . . . . . . 5958 1 542 . 1 1 112 112 VAL H H 1 8.70 0.05 . 1 . . . . . . . . 5958 1 543 . 1 1 112 112 VAL HA H 1 6.03 0.05 . 1 . . . . . . . . 5958 1 544 . 1 1 112 112 VAL C C 13 174.98 0.58 . 1 . . . . . . . . 5958 1 545 . 1 1 112 112 VAL CA C 13 58.83 0.58 . 1 . . . . . . . . 5958 1 546 . 1 1 112 112 VAL N N 15 118.56 0.50 . 1 . . . . . . . . 5958 1 547 . 1 1 113 113 TYR H H 1 8.27 0.05 . 1 . . . . . . . . 5958 1 548 . 1 1 113 113 TYR HA H 1 6.16 0.05 . 1 . . . . . . . . 5958 1 549 . 1 1 113 113 TYR C C 13 173.38 0.58 . 1 . . . . . . . . 5958 1 550 . 1 1 113 113 TYR CA C 13 54.20 0.58 . 1 . . . . . . . . 5958 1 551 . 1 1 113 113 TYR N N 15 119.00 0.50 . 1 . . . . . . . . 5958 1 552 . 1 1 114 114 ALA H H 1 8.51 0.05 . 1 . . . . . . . . 5958 1 553 . 1 1 114 114 ALA HA H 1 4.79 0.05 . 1 . . . . . . . . 5958 1 554 . 1 1 114 114 ALA C C 13 176.04 0.58 . 1 . . . . . . . . 5958 1 555 . 1 1 114 114 ALA CA C 13 51.22 0.58 . 1 . . . . . . . . 5958 1 556 . 1 1 114 114 ALA N N 15 119.82 0.50 . 1 . . . . . . . . 5958 1 557 . 1 1 115 115 SER H H 1 9.83 0.05 . 1 . . . . . . . . 5958 1 558 . 1 1 115 115 SER HA H 1 4.53 0.05 . 1 . . . . . . . . 5958 1 559 . 1 1 115 115 SER C C 13 172.84 0.58 . 1 . . . . . . . . 5958 1 560 . 1 1 115 115 SER CA C 13 58.69 0.58 . 1 . . . . . . . . 5958 1 561 . 1 1 115 115 SER N N 15 114.61 0.50 . 1 . . . . . . . . 5958 1 562 . 1 1 116 116 GLN H H 1 7.21 0.05 . 1 . . . . . . . . 5958 1 563 . 1 1 116 116 GLN HA H 1 4.48 0.05 . 1 . . . . . . . . 5958 1 564 . 1 1 116 116 GLN C C 13 173.10 0.58 . 1 . . . . . . . . 5958 1 565 . 1 1 116 116 GLN CA C 13 54.18 0.58 . 1 . . . . . . . . 5958 1 566 . 1 1 116 116 GLN N N 15 116.99 0.50 . 1 . . . . . . . . 5958 1 567 . 1 1 117 117 GLU H H 1 7.99 0.05 . 1 . . . . . . . . 5958 1 568 . 1 1 117 117 GLU HA H 1 3.28 0.05 . 1 . . . . . . . . 5958 1 569 . 1 1 117 117 GLU C C 13 175.33 0.58 . 1 . . . . . . . . 5958 1 570 . 1 1 117 117 GLU CA C 13 56.97 0.58 . 1 . . . . . . . . 5958 1 571 . 1 1 117 117 GLU N N 15 118.28 0.50 . 1 . . . . . . . . 5958 1 572 . 1 1 118 118 THR H H 1 7.00 0.05 . 1 . . . . . . . . 5958 1 573 . 1 1 118 118 THR HA H 1 4.08 0.05 . 1 . . . . . . . . 5958 1 574 . 1 1 118 118 THR C C 13 173.26 0.58 . 1 . . . . . . . . 5958 1 575 . 1 1 118 118 THR CA C 13 60.55 0.58 . 1 . . . . . . . . 5958 1 576 . 1 1 118 118 THR N N 15 110.16 0.50 . 1 . . . . . . . . 5958 1 577 . 1 1 119 119 PHE H H 1 8.16 0.05 . 1 . . . . . . . . 5958 1 578 . 1 1 119 119 PHE HA H 1 4.42 0.05 . 1 . . . . . . . . 5958 1 579 . 1 1 119 119 PHE C C 13 174.94 0.58 . 1 . . . . . . . . 5958 1 580 . 1 1 119 119 PHE CA C 13 56.98 0.58 . 1 . . . . . . . . 5958 1 581 . 1 1 119 119 PHE N N 15 122.19 0.50 . 1 . . . . . . . . 5958 1 582 . 1 1 120 120 GLY H H 1 7.88 0.05 . 1 . . . . . . . . 5958 1 583 . 1 1 120 120 GLY HA2 H 1 3.81 0.05 . 1 . . . . . . . . 5958 1 584 . 1 1 120 120 GLY HA3 H 1 3.81 0.05 . 1 . . . . . . . . 5958 1 585 . 1 1 120 120 GLY CA C 13 46.21 0.58 . 1 . . . . . . . . 5958 1 586 . 1 1 120 120 GLY N N 15 115.66 0.50 . 1 . . . . . . . . 5958 1 stop_ save_