data_19114 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19114 _Entry.Title ; 4E-BP2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-27 _Entry.Accession_date 2013-03-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Julie Forman-Kay . . . 19114 2 Alaji Bah . . . 19114 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Hospital for Sick Children' . 19114 2 . 'University of Toronto' . 19114 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19114 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 19114 '15N chemical shifts' 113 19114 '1H chemical shifts' 209 19114 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 2 . . 2015-02-27 2013-03-27 update BMRB 'update entry citation' 19114 1 . . 2014-02-12 2013-03-27 original author 'original release' 19114 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19905 'Phosphorylated 4E-BP2' 19114 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19114 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24207126 _Citation.Full_citation . _Citation.Title 'Interaction of the eukaryotic initiation factor 4E with 4E-BP2 at a dynamic bipartite interface.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 21 _Citation.Journal_issue 12 _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 2186 _Citation.Page_last 2196 _Citation.Year 2013 _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 Sabelo Lukhele . . . 19114 1 2 Alaji Bah . . . 19114 1 3 Hong Lin . . . 19114 1 4 Nahum Sonenberg . . . 19114 1 5 Julie Forman-Kay . D. . 19114 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Fuzzy Complexes' 19114 1 'Intrinsically Disordered Protein' 19114 1 NMR 19114 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 19114 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25533957 _Citation.Full_citation . _Citation.Title 'Folding of an intrinsically disordered protein by phosphorylation as a regulatory switch' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 519 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 106 _Citation.Page_last 109 _Citation.Year 2015 _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 Alaji Bah . . . 19114 2 2 Robert Vernon . . . 19114 2 3 Zeba Siddiqui . . . 19114 2 4 Mickael Krzeminski . . . 19114 2 5 Ranjith Muhandiram . . . 19114 2 6 Charlie Zhao . . . 19114 2 7 Nahum Sonenberg . . . 19114 2 8 Lewis Kay . . . 19114 2 9 Julie Forman-Kay . . . 19114 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID folding 19114 2 IDPs 19114 2 NMR 19114 2 'Post translational modification' 19114 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19114 _Assembly.ID 1 _Assembly.Name 4E-BP2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '4E-BP2, native' 1 $4E-BP2 A . yes native yes yes . . . 19114 1 2 '4E-BP2, intrinsically disordered' 1 $4E-BP2 A . yes 'intrinsically disordered' yes yes . . . 19114 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_4E-BP2 _Entity.Sf_category entity _Entity.Sf_framecode 4E-BP2 _Entity.Entry_ID 19114 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 4E-BP2 _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 ; MPLGSPEFMSSSAGSGHQPS QSRAIPTRTVAISDAAQLPH DYCTTPGGTLFSTTPGGTRI IYDRKFLLDRRNSPMAQTPP CHLPNIPGVTSPGTLIEDSK VEVNNLDNLDNHDRKHAVGD DAQFEMDI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'zero and negative residue numbers represent a tag.' _Entity.Polymer_author_seq_details 'Residues -6 to 0 is a tag remaining after cleaving of GST fusion protein.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13798.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19905 . Phosphorylated_4E-BP2 . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 2 no DBJ BAG11409 . "eukaryotic translation initiation factor 4E-binding protein 2 [synthetic construct]" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 3 no DBJ BAG36466 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 120 97.50 99.17 1.41e-79 . . . . 19114 1 4 no EMBL CAG47036 . "EIF4EBP2 [Homo sapiens]" . . . . . 93.75 120 97.50 99.17 7.59e-80 . . . . 19114 1 5 no GB AAA62270 . "4E-binding protein 2 [Homo sapiens]" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 6 no GB AAH05057 . "Eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 7 no GB AAH50633 . "Eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 8 no GB AAP35981 . "eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 9 no GB AAX32712 . "eukaryotic translation initiation factor 4E binding protein 2 [synthetic construct]" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 10 no PRF 2021415B . "initiation factor 4E-binding protein:ISOTYPE=2" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 11 no REF NP_001178078 . "eukaryotic translation initiation factor 4E-binding protein 2 [Bos taurus]" . . . . . 93.75 120 97.50 99.17 2.07e-79 . . . . 19114 1 12 no REF NP_001244839 . "eukaryotic translation initiation factor 4E-binding protein 2 [Macaca mulatta]" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 13 no REF NP_004087 . "eukaryotic translation initiation factor 4E-binding protein 2 [Homo sapiens]" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 14 no REF XP_002718482 . "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 2 [Oryctolagus cuniculus]" . . . . . 93.75 120 97.50 99.17 2.07e-79 . . . . 19114 1 15 no REF XP_003133106 . "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 2 [Sus scrofa]" . . . . . 93.75 120 97.50 99.17 2.07e-79 . . . . 19114 1 16 no SP Q13542 . "RecName: Full=Eukaryotic translation initiation factor 4E-binding protein 2; Short=4E-BP2; Short=eIF4E-binding protein 2" . . . . . 93.75 120 98.33 100.00 1.59e-80 . . . . 19114 1 17 no TPG DAA14291 . "TPA: eukaryotic translation initiation factor 4E binding protein 2-like [Bos taurus]" . . . . . 93.75 120 97.50 99.17 2.07e-79 . . . . 19114 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulation of eukaryotic translation initiation' 19114 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 -7 MET . 19114 1 2 -6 PRO . 19114 1 3 -5 LEU . 19114 1 4 -4 GLY . 19114 1 5 -3 SER . 19114 1 6 -2 PRO . 19114 1 7 -1 GLU . 19114 1 8 0 PHE . 19114 1 9 1 MET . 19114 1 10 2 SER . 19114 1 11 3 SER . 19114 1 12 4 SER . 19114 1 13 5 ALA . 19114 1 14 6 GLY . 19114 1 15 7 SER . 19114 1 16 8 GLY . 19114 1 17 9 HIS . 19114 1 18 10 GLN . 19114 1 19 11 PRO . 19114 1 20 12 SER . 19114 1 21 13 GLN . 19114 1 22 14 SER . 19114 1 23 15 ARG . 19114 1 24 16 ALA . 19114 1 25 17 ILE . 19114 1 26 18 PRO . 19114 1 27 19 THR . 19114 1 28 20 ARG . 19114 1 29 21 THR . 19114 1 30 22 VAL . 19114 1 31 23 ALA . 19114 1 32 24 ILE . 19114 1 33 25 SER . 19114 1 34 26 ASP . 19114 1 35 27 ALA . 19114 1 36 28 ALA . 19114 1 37 29 GLN . 19114 1 38 30 LEU . 19114 1 39 31 PRO . 19114 1 40 32 HIS . 19114 1 41 33 ASP . 19114 1 42 34 TYR . 19114 1 43 35 CYS . 19114 1 44 36 THR . 19114 1 45 37 THR . 19114 1 46 38 PRO . 19114 1 47 39 GLY . 19114 1 48 40 GLY . 19114 1 49 41 THR . 19114 1 50 42 LEU . 19114 1 51 43 PHE . 19114 1 52 44 SER . 19114 1 53 45 THR . 19114 1 54 46 THR . 19114 1 55 47 PRO . 19114 1 56 48 GLY . 19114 1 57 49 GLY . 19114 1 58 50 THR . 19114 1 59 51 ARG . 19114 1 60 52 ILE . 19114 1 61 53 ILE . 19114 1 62 54 TYR . 19114 1 63 55 ASP . 19114 1 64 56 ARG . 19114 1 65 57 LYS . 19114 1 66 58 PHE . 19114 1 67 59 LEU . 19114 1 68 60 LEU . 19114 1 69 61 ASP . 19114 1 70 62 ARG . 19114 1 71 63 ARG . 19114 1 72 64 ASN . 19114 1 73 65 SER . 19114 1 74 66 PRO . 19114 1 75 67 MET . 19114 1 76 68 ALA . 19114 1 77 69 GLN . 19114 1 78 70 THR . 19114 1 79 71 PRO . 19114 1 80 72 PRO . 19114 1 81 73 CYS . 19114 1 82 74 HIS . 19114 1 83 75 LEU . 19114 1 84 76 PRO . 19114 1 85 77 ASN . 19114 1 86 78 ILE . 19114 1 87 79 PRO . 19114 1 88 80 GLY . 19114 1 89 81 VAL . 19114 1 90 82 THR . 19114 1 91 83 SER . 19114 1 92 84 PRO . 19114 1 93 85 GLY . 19114 1 94 86 THR . 19114 1 95 87 LEU . 19114 1 96 88 ILE . 19114 1 97 89 GLU . 19114 1 98 90 ASP . 19114 1 99 91 SER . 19114 1 100 92 LYS . 19114 1 101 93 VAL . 19114 1 102 94 GLU . 19114 1 103 95 VAL . 19114 1 104 96 ASN . 19114 1 105 97 ASN . 19114 1 106 98 LEU . 19114 1 107 99 ASP . 19114 1 108 100 ASN . 19114 1 109 101 LEU . 19114 1 110 102 ASP . 19114 1 111 103 ASN . 19114 1 112 104 HIS . 19114 1 113 105 ASP . 19114 1 114 106 ARG . 19114 1 115 107 LYS . 19114 1 116 108 HIS . 19114 1 117 109 ALA . 19114 1 118 110 VAL . 19114 1 119 111 GLY . 19114 1 120 112 ASP . 19114 1 121 113 ASP . 19114 1 122 114 ALA . 19114 1 123 115 GLN . 19114 1 124 116 PHE . 19114 1 125 117 GLU . 19114 1 126 118 MET . 19114 1 127 119 ASP . 19114 1 128 120 ILE . 19114 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 19114 1 . PRO 2 2 19114 1 . LEU 3 3 19114 1 . GLY 4 4 19114 1 . SER 5 5 19114 1 . PRO 6 6 19114 1 . GLU 7 7 19114 1 . PHE 8 8 19114 1 . MET 9 9 19114 1 . SER 10 10 19114 1 . SER 11 11 19114 1 . SER 12 12 19114 1 . ALA 13 13 19114 1 . GLY 14 14 19114 1 . SER 15 15 19114 1 . GLY 16 16 19114 1 . HIS 17 17 19114 1 . GLN 18 18 19114 1 . PRO 19 19 19114 1 . SER 20 20 19114 1 . GLN 21 21 19114 1 . SER 22 22 19114 1 . ARG 23 23 19114 1 . ALA 24 24 19114 1 . ILE 25 25 19114 1 . PRO 26 26 19114 1 . THR 27 27 19114 1 . ARG 28 28 19114 1 . THR 29 29 19114 1 . VAL 30 30 19114 1 . ALA 31 31 19114 1 . ILE 32 32 19114 1 . SER 33 33 19114 1 . ASP 34 34 19114 1 . ALA 35 35 19114 1 . ALA 36 36 19114 1 . GLN 37 37 19114 1 . LEU 38 38 19114 1 . PRO 39 39 19114 1 . HIS 40 40 19114 1 . ASP 41 41 19114 1 . TYR 42 42 19114 1 . CYS 43 43 19114 1 . THR 44 44 19114 1 . THR 45 45 19114 1 . PRO 46 46 19114 1 . GLY 47 47 19114 1 . GLY 48 48 19114 1 . THR 49 49 19114 1 . LEU 50 50 19114 1 . PHE 51 51 19114 1 . SER 52 52 19114 1 . THR 53 53 19114 1 . THR 54 54 19114 1 . PRO 55 55 19114 1 . GLY 56 56 19114 1 . GLY 57 57 19114 1 . THR 58 58 19114 1 . ARG 59 59 19114 1 . ILE 60 60 19114 1 . ILE 61 61 19114 1 . TYR 62 62 19114 1 . ASP 63 63 19114 1 . ARG 64 64 19114 1 . LYS 65 65 19114 1 . PHE 66 66 19114 1 . LEU 67 67 19114 1 . LEU 68 68 19114 1 . ASP 69 69 19114 1 . ARG 70 70 19114 1 . ARG 71 71 19114 1 . ASN 72 72 19114 1 . SER 73 73 19114 1 . PRO 74 74 19114 1 . MET 75 75 19114 1 . ALA 76 76 19114 1 . GLN 77 77 19114 1 . THR 78 78 19114 1 . PRO 79 79 19114 1 . PRO 80 80 19114 1 . CYS 81 81 19114 1 . HIS 82 82 19114 1 . LEU 83 83 19114 1 . PRO 84 84 19114 1 . ASN 85 85 19114 1 . ILE 86 86 19114 1 . PRO 87 87 19114 1 . GLY 88 88 19114 1 . VAL 89 89 19114 1 . THR 90 90 19114 1 . SER 91 91 19114 1 . PRO 92 92 19114 1 . GLY 93 93 19114 1 . THR 94 94 19114 1 . LEU 95 95 19114 1 . ILE 96 96 19114 1 . GLU 97 97 19114 1 . ASP 98 98 19114 1 . SER 99 99 19114 1 . LYS 100 100 19114 1 . VAL 101 101 19114 1 . GLU 102 102 19114 1 . VAL 103 103 19114 1 . ASN 104 104 19114 1 . ASN 105 105 19114 1 . LEU 106 106 19114 1 . ASP 107 107 19114 1 . ASN 108 108 19114 1 . LEU 109 109 19114 1 . ASP 110 110 19114 1 . ASN 111 111 19114 1 . HIS 112 112 19114 1 . ASP 113 113 19114 1 . ARG 114 114 19114 1 . LYS 115 115 19114 1 . HIS 116 116 19114 1 . ALA 117 117 19114 1 . VAL 118 118 19114 1 . GLY 119 119 19114 1 . ASP 120 120 19114 1 . ASP 121 121 19114 1 . ALA 122 122 19114 1 . GLN 123 123 19114 1 . PHE 124 124 19114 1 . GLU 125 125 19114 1 . MET 126 126 19114 1 . ASP 127 127 19114 1 . ILE 128 128 19114 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 19114 _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 $4E-BP2 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19114 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 19114 _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 $4E-BP2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX . . . . . . 19114 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19114 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 4E-BP2 '[U-99% 13C; U-99% 15N]' . . 1 $4E-BP2 . . . 800 1200 uM . . . . 19114 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19114 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19114 1 4 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 19114 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19114 1 6 benzamidine 'natural abundance' . . . . . . 1 . . mM . . . . 19114 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19114 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19114 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19114 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 19114 1 pH 6.0 . pH 19114 1 pressure 1 . atm 19114 1 temperature 283 . K 19114 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19114 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19114 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19114 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19114 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19114 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 19114 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 19114 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19114 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19114 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19114 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19114 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19114 _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 C 13 DSS 'methyl carbon' . . . . Hz -1078.011901946 internal indirect 0.251449528 . . . . . . . . . 19114 1 H 1 DSS protons . . . . Hz -4287.19 internal direct 1.000000000 . . . . . . . . . 19114 1 N 15 urea nitrogen . . . . Hz -434.417181398 internal indirect 0.101329118 . . . . . . . . . 19114 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19114 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19114 1 2 '3D CBCA(CO)NH' . . . 19114 1 3 '3D HNCACB' . . . 19114 1 4 '3D HNCO' . . . 19114 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 2 2 PRO CA C 13 62.600 0.000 . . . . . . -6 P CA . 19114 1 2 . 1 1 2 2 PRO CB C 13 32.051 0.000 . . . . . . -6 P CB . 19114 1 3 . 1 1 2 2 PRO CG C 13 26.782 0.000 . . . . . . -6 P CG . 19114 1 4 . 1 1 2 2 PRO CD C 13 49.240 0.000 . . . . . . -6 P CD . 19114 1 5 . 1 1 3 3 LEU H H 1 8.6380 0.000 . . . . . . -5 L H . 19114 1 6 . 1 1 3 3 LEU HA H 1 4.272 0.000 . . . . . . -5 L HA . 19114 1 7 . 1 1 3 3 LEU C C 13 177.580 0.000 . . . . . . -5 L CO . 19114 1 8 . 1 1 3 3 LEU CA C 13 55.017 0.000 . . . . . . -5 L CA . 19114 1 9 . 1 1 3 3 LEU CB C 13 41.768 0.000 . . . . . . -5 L CB . 19114 1 10 . 1 1 3 3 LEU CG C 13 26.728 0.000 . . . . . . -5 L CG . 19114 1 11 . 1 1 3 3 LEU N N 15 122.661 0.000 . . . . . . -5 L N . 19114 1 12 . 1 1 4 4 GLY H H 1 8.4670 0.000 . . . . . . -4 G H . 19114 1 13 . 1 1 4 4 GLY C C 13 173.414 0.000 . . . . . . -4 G CO . 19114 1 14 . 1 1 4 4 GLY CA C 13 44.638 0.000 . . . . . . -4 G CA . 19114 1 15 . 1 1 4 4 GLY N N 15 110.091 0.000 . . . . . . -4 G N . 19114 1 16 . 1 1 5 5 SER H H 1 8.2410 0.000 . . . . . . -3 S H . 19114 1 17 . 1 1 5 5 SER HA H 1 4.752 0.000 . . . . . . -3 S HA . 19114 1 18 . 1 1 5 5 SER C C 13 172.529 0.000 . . . . . . -3 S CO . 19114 1 19 . 1 1 5 5 SER CA C 13 56.158 0.000 . . . . . . -3 S CA . 19114 1 20 . 1 1 5 5 SER CB C 13 62.880 0.000 . . . . . . -3 S CB . 19114 1 21 . 1 1 5 5 SER N N 15 117.097 0.000 . . . . . . -3 S N . 19114 1 22 . 1 1 6 6 PRO HA H 1 4.379 0.000 . . . . . . -2 P HA . 19114 1 23 . 1 1 6 6 PRO C C 13 176.796 0.000 . . . . . . -2 P CO . 19114 1 24 . 1 1 6 6 PRO CA C 13 63.300 0.000 . . . . . . -2 P CA . 19114 1 25 . 1 1 6 6 PRO CB C 13 31.677 0.000 . . . . . . -2 P CB . 19114 1 26 . 1 1 6 6 PRO CG C 13 50.347 0.000 . . . . . . -2 P CG . 19114 1 27 . 1 1 6 6 PRO CD C 13 27.181 0.000 . . . . . . -2 P CD . 19114 1 28 . 1 1 7 7 GLU H H 1 8.6000 0.000 . . . . . . -1 E H . 19114 1 29 . 1 1 7 7 GLU HA H 1 4.127 0.000 . . . . . . -1 E HA . 19114 1 30 . 1 1 7 7 GLU C C 13 176.096 0.000 . . . . . . -1 E CO . 19114 1 31 . 1 1 7 7 GLU CA C 13 56.670 0.000 . . . . . . -1 E CA . 19114 1 32 . 1 1 7 7 GLU CB C 13 29.647 0.000 . . . . . . -1 E CB . 19114 1 33 . 1 1 7 7 GLU CG C 13 35.784 0.000 . . . . . . -1 E CG . 19114 1 34 . 1 1 7 7 GLU N N 15 120.697 0.000 . . . . . . -1 E N . 19114 1 35 . 1 1 8 8 PHE H H 1 8.2230 0.000 . . . . . . 0 F H . 19114 1 36 . 1 1 8 8 PHE HA H 1 4.572 0.000 . . . . . . 0 F HA . 19114 1 37 . 1 1 8 8 PHE C C 13 175.496 0.000 . . . . . . 0 F CO . 19114 1 38 . 1 1 8 8 PHE CA C 13 57.610 0.000 . . . . . . 0 F CA . 19114 1 39 . 1 1 8 8 PHE CB C 13 39.166 0.000 . . . . . . 0 F CB . 19114 1 40 . 1 1 8 8 PHE N N 15 120.797 0.000 . . . . . . 0 F N . 19114 1 41 . 1 1 9 9 MET H H 1 8.2980 0.000 . . . . . . 1 M H . 19114 1 42 . 1 1 9 9 MET HA H 1 4.416 0.000 . . . . . . 1 M HA . 19114 1 43 . 1 1 9 9 MET C C 13 175.745 0.000 . . . . . . 1 M CO . 19114 1 44 . 1 1 9 9 MET CA C 13 55.030 0.000 . . . . . . 1 M CA . 19114 1 45 . 1 1 9 9 MET CB C 13 31.584 0.000 . . . . . . 1 M CB . 19114 1 46 . 1 1 9 9 MET N N 15 122.142 0.000 . . . . . . 1 M N . 19114 1 47 . 1 1 10 10 SER H H 1 8.3730 0.000 . . . . . . 2 S H . 19114 1 48 . 1 1 10 10 SER HA H 1 4.400 0.000 . . . . . . 2 S HA . 19114 1 49 . 1 1 10 10 SER C C 13 174.496 0.000 . . . . . . 2 S CO . 19114 1 50 . 1 1 10 10 SER CA C 13 58.159 0.000 . . . . . . 2 S CA . 19114 1 51 . 1 1 10 10 SER CB C 13 63.344 0.000 . . . . . . 2 S CB . 19114 1 52 . 1 1 10 10 SER N N 15 117.197 0.000 . . . . . . 2 S N . 19114 1 53 . 1 1 11 11 SER H H 1 8.4690 0.000 . . . . . . 3 S H . 19114 1 54 . 1 1 11 11 SER HA H 1 4.482 0.000 . . . . . . 3 S HA . 19114 1 55 . 1 1 11 11 SER C C 13 174.496 0.000 . . . . . . 3 S CO . 19114 1 56 . 1 1 11 11 SER CA C 13 58.210 0.000 . . . . . . 3 S CA . 19114 1 57 . 1 1 11 11 SER CB C 13 63.393 0.000 . . . . . . 3 S CB . 19114 1 58 . 1 1 11 11 SER N N 15 117.997 0.000 . . . . . . 3 S N . 19114 1 59 . 1 1 12 12 SER H H 1 8.4230 0.000 . . . . . . 4 S H . 19114 1 60 . 1 1 12 12 SER HA H 1 4.430 0.000 . . . . . . 4 S HA . 19114 1 61 . 1 1 12 12 SER C C 13 174.224 0.000 . . . . . . 4 S CO . 19114 1 62 . 1 1 12 12 SER CA C 13 58.146 0.000 . . . . . . 4 S CA . 19114 1 63 . 1 1 12 12 SER CB C 13 63.304 0.000 . . . . . . 4 S CB . 19114 1 64 . 1 1 12 12 SER N N 15 117.872 0.000 . . . . . . 4 S N . 19114 1 65 . 1 1 13 13 ALA H H 1 8.3400 0.000 . . . . . . 5 A H . 19114 1 66 . 1 1 13 13 ALA HA H 1 4.298 0.000 . . . . . . 5 A HA . 19114 1 67 . 1 1 13 13 ALA C C 13 177.996 0.000 . . . . . . 5 A CO . 19114 1 68 . 1 1 13 13 ALA CA C 13 52.591 0.000 . . . . . . 5 A CA . 19114 1 69 . 1 1 13 13 ALA CB C 13 18.802 0.000 . . . . . . 5 A CB . 19114 1 70 . 1 1 13 13 ALA N N 15 125.897 0.000 . . . . . . 5 A N . 19114 1 71 . 1 1 14 14 GLY H H 1 8.4000 0.000 . . . . . . 6 G H . 19114 1 72 . 1 1 14 14 GLY C C 13 174.096 0.000 . . . . . . 6 G CO . 19114 1 73 . 1 1 14 14 GLY CA C 13 44.913 0.000 . . . . . . 6 G CA . 19114 1 74 . 1 1 14 14 GLY N N 15 108.197 0.000 . . . . . . 6 G N . 19114 1 75 . 1 1 15 15 SER H H 1 8.3170 0.000 . . . . . . 7 S H . 19114 1 76 . 1 1 15 15 SER HA H 1 4.412 0.000 . . . . . . 7 S HA . 19114 1 77 . 1 1 15 15 SER C C 13 174.876 0.000 . . . . . . 7 S CO . 19114 1 78 . 1 1 15 15 SER CA C 13 58.241 0.000 . . . . . . 7 S CA . 19114 1 79 . 1 1 15 15 SER CB C 13 63.455 0.000 . . . . . . 7 S CB . 19114 1 80 . 1 1 15 15 SER N N 15 115.745 0.000 . . . . . . 7 S N . 19114 1 81 . 1 1 16 16 GLY H H 1 8.5630 0.000 . . . . . . 8 G H . 19114 1 82 . 1 1 16 16 GLY C C 13 173.542 0.000 . . . . . . 8 G CO . 19114 1 83 . 1 1 16 16 GLY CA C 13 44.870 0.000 . . . . . . 8 G CA . 19114 1 84 . 1 1 16 16 GLY N N 15 110.629 0.000 . . . . . . 8 G N . 19114 1 85 . 1 1 17 17 HIS H H 1 8.3740 0.000 . . . . . . 9 H H . 19114 1 86 . 1 1 17 17 HIS HA H 1 4.674 0.000 . . . . . . 9 H HA . 19114 1 87 . 1 1 17 17 HIS C C 13 174.072 0.000 . . . . . . 9 H CO . 19114 1 88 . 1 1 17 17 HIS CA C 13 54.861 0.000 . . . . . . 9 H CA . 19114 1 89 . 1 1 17 17 HIS CB C 13 29.048 0.000 . . . . . . 9 H CB . 19114 1 90 . 1 1 17 17 HIS N N 15 118.313 0.000 . . . . . . 9 H N . 19114 1 91 . 1 1 18 18 GLN H H 1 8.5970 0.000 . . . . . . 10 Q H . 19114 1 92 . 1 1 18 18 GLN HA H 1 4.593 0.000 . . . . . . 10 Q HA . 19114 1 93 . 1 1 18 18 GLN C C 13 173.630 0.000 . . . . . . 10 Q CO . 19114 1 94 . 1 1 18 18 GLN CA C 13 53.342 0.000 . . . . . . 10 Q CA . 19114 1 95 . 1 1 18 18 GLN CB C 13 28.520 0.000 . . . . . . 10 Q CB . 19114 1 96 . 1 1 18 18 GLN N N 15 123.296 0.000 . . . . . . 10 Q N . 19114 1 97 . 1 1 19 19 PRO HA H 1 4.436 0.000 . . . . . . 11 P HA . 19114 1 98 . 1 1 19 19 PRO C C 13 176.667 0.000 . . . . . . 11 P CO . 19114 1 99 . 1 1 19 19 PRO CA C 13 62.850 0.000 . . . . . . 11 P CA . 19114 1 100 . 1 1 19 19 PRO CB C 13 31.836 0.000 . . . . . . 11 P CB . 19114 1 101 . 1 1 19 19 PRO CG C 13 27.176 0.000 . . . . . . 11 P CG . 19114 1 102 . 1 1 19 19 PRO CD C 13 50.255 0.000 . . . . . . 11 P CD . 19114 1 103 . 1 1 20 20 SER H H 1 8.6050 0.000 . . . . . . 12 S H . 19114 1 104 . 1 1 20 20 SER HA H 1 4.365 0.000 . . . . . . 12 S HA . 19114 1 105 . 1 1 20 20 SER C C 13 174.468 0.000 . . . . . . 12 S CO . 19114 1 106 . 1 1 20 20 SER CA C 13 58.198 0.000 . . . . . . 12 S CA . 19114 1 107 . 1 1 20 20 SER CB C 13 63.242 0.000 . . . . . . 12 S CB . 19114 1 108 . 1 1 20 20 SER N N 15 116.491 0.000 . . . . . . 12 S N . 19114 1 109 . 1 1 21 21 GLN H H 1 8.5760 0.000 . . . . . . 13 Q H . 19114 1 110 . 1 1 21 21 GLN HA H 1 4.368 0.000 . . . . . . 13 Q HA . 19114 1 111 . 1 1 21 21 GLN C C 13 175.661 0.000 . . . . . . 13 Q CO . 19114 1 112 . 1 1 21 21 GLN CA C 13 55.393 0.000 . . . . . . 13 Q CA . 19114 1 113 . 1 1 21 21 GLN CB C 13 29.193 0.000 . . . . . . 13 Q CB . 19114 1 114 . 1 1 21 21 GLN CG C 13 33.448 0.000 . . . . . . 13 Q CG . 19114 1 115 . 1 1 21 21 GLN N N 15 122.466 0.000 . . . . . . 13 Q N . 19114 1 116 . 1 1 22 22 SER H H 1 8.4450 0.000 . . . . . . 14 S H . 19114 1 117 . 1 1 22 22 SER HA H 1 4.398 0.000 . . . . . . 14 S HA . 19114 1 118 . 1 1 22 22 SER C C 13 174.096 0.000 . . . . . . 14 S CO . 19114 1 119 . 1 1 22 22 SER CA C 13 58.170 0.000 . . . . . . 14 S CA . 19114 1 120 . 1 1 22 22 SER CB C 13 63.285 0.000 . . . . . . 14 S CB . 19114 1 121 . 1 1 22 22 SER N N 15 117.397 0.000 . . . . . . 14 S N . 19114 1 122 . 1 1 23 23 ARG H H 1 8.4460 0.000 . . . . . . 15 R H . 19114 1 123 . 1 1 23 23 ARG HA H 1 4.328 0.000 . . . . . . 15 R HA . 19114 1 124 . 1 1 23 23 ARG C C 13 175.415 0.000 . . . . . . 15 R CO . 19114 1 125 . 1 1 23 23 ARG CA C 13 55.375 0.000 . . . . . . 15 R CA . 19114 1 126 . 1 1 23 23 ARG CB C 13 30.592 0.000 . . . . . . 15 R CB . 19114 1 127 . 1 1 23 23 ARG CG C 13 30.592 0.000 . . . . . . 15 R CG . 19114 1 128 . 1 1 23 23 ARG CD C 13 42.967 0.000 . . . . . . 15 R CD . 19114 1 129 . 1 1 23 23 ARG N N 15 123.440 0.000 . . . . . . 15 R N . 19114 1 130 . 1 1 24 24 ALA H H 1 8.3850 0.000 . . . . . . 16 A H . 19114 1 131 . 1 1 24 24 ALA HA H 1 4.271 0.000 . . . . . . 16 A HA . 19114 1 132 . 1 1 24 24 ALA C C 13 177.052 0.000 . . . . . . 16 A CO . 19114 1 133 . 1 1 24 24 ALA CA C 13 51.850 0.000 . . . . . . 16 A CA . 19114 1 134 . 1 1 24 24 ALA CB C 13 18.779 0.000 . . . . . . 16 A CB . 19114 1 135 . 1 1 24 24 ALA N N 15 125.742 0.000 . . . . . . 16 A N . 19114 1 136 . 1 1 25 25 ILE H H 1 8.3400 0.000 . . . . . . 17 I H . 19114 1 137 . 1 1 25 25 ILE HA H 1 4.407 0.000 . . . . . . 17 I HA . 19114 1 138 . 1 1 25 25 ILE C C 13 174.408 0.000 . . . . . . 17 I CO . 19114 1 139 . 1 1 25 25 ILE CA C 13 58.265 0.000 . . . . . . 17 I CA . 19114 1 140 . 1 1 25 25 ILE CB C 13 38.200 0.000 . . . . . . 17 I CB . 19114 1 141 . 1 1 25 25 ILE N N 15 122.900 0.000 . . . . . . 17 I N . 19114 1 142 . 1 1 26 26 PRO HA H 1 4.405 0.000 . . . . . . 18 P HA . 19114 1 143 . 1 1 26 26 PRO CA C 13 62.842 0.000 . . . . . . 18 P CA . 19114 1 144 . 1 1 26 26 PRO CB C 13 31.924 0.000 . . . . . . 18 P CB . 19114 1 145 . 1 1 26 26 PRO CG C 13 27.134 0.000 . . . . . . 18 P CG . 19114 1 146 . 1 1 26 26 PRO CD C 13 50.759 0.000 . . . . . . 18 P CD . 19114 1 147 . 1 1 27 27 THR H H 1 8.3800 0.000 . . . . . . 19 T H . 19114 1 148 . 1 1 27 27 THR HA H 1 4.246 0.000 . . . . . . 19 T HA . 19114 1 149 . 1 1 27 27 THR C C 13 174.097 0.000 . . . . . . 19 T CO . 19114 1 150 . 1 1 27 27 THR CA C 13 61.700 0.000 . . . . . . 19 T CA . 19114 1 151 . 1 1 27 27 THR CB C 13 69.418 0.000 . . . . . . 19 T CB . 19114 1 152 . 1 1 27 27 THR CG2 C 13 21.446 0.000 . . . . . . 19 T CG2 . 19114 1 153 . 1 1 27 27 THR N N 15 115.870 0.000 . . . . . . 19 T N . 19114 1 154 . 1 1 28 28 ARG H H 1 8.5040 0.000 . . . . . . 20 R H . 19114 1 155 . 1 1 28 28 ARG HA H 1 4.413 0.000 . . . . . . 20 R HA . 19114 1 156 . 1 1 28 28 ARG C C 13 175.851 0.000 . . . . . . 20 R CO . 19114 1 157 . 1 1 28 28 ARG CA C 13 55.568 0.000 . . . . . . 20 R CA . 19114 1 158 . 1 1 28 28 ARG CB C 13 30.640 0.000 . . . . . . 20 R CB . 19114 1 159 . 1 1 28 28 ARG CG C 13 26.763 0.000 . . . . . . 20 R CG . 19114 1 160 . 1 1 28 28 ARG CD C 13 42.968 0.000 . . . . . . 20 R CD . 19114 1 161 . 1 1 28 28 ARG N N 15 124.244 0.000 . . . . . . 20 R N . 19114 1 162 . 1 1 29 29 THR H H 1 8.4220 0.000 . . . . . . 21 T H . 19114 1 163 . 1 1 29 29 THR HA H 1 4.308 0.000 . . . . . . 21 T HA . 19114 1 164 . 1 1 29 29 THR C C 13 173.950 0.000 . . . . . . 21 T CO . 19114 1 165 . 1 1 29 29 THR CA C 13 61.510 0.000 . . . . . . 21 T CA . 19114 1 166 . 1 1 29 29 THR CB C 13 69.500 0.000 . . . . . . 21 T CB . 19114 1 167 . 1 1 29 29 THR CG2 C 13 21.418 0.000 . . . . . . 21 T CG2 . 19114 1 168 . 1 1 29 29 THR N N 15 117.620 0.000 . . . . . . 21 T N . 19114 1 169 . 1 1 30 30 VAL H H 1 8.3090 0.000 . . . . . . 22 V H . 19114 1 170 . 1 1 30 30 VAL HA H 1 4.090 0.000 . . . . . . 22 V HA . 19114 1 171 . 1 1 30 30 VAL C C 13 175.156 0.000 . . . . . . 22 V CO . 19114 1 172 . 1 1 30 30 VAL CA C 13 61.603 0.000 . . . . . . 22 V CA . 19114 1 173 . 1 1 30 30 VAL CB C 13 32.634 0.000 . . . . . . 22 V CB . 19114 1 174 . 1 1 30 30 VAL N N 15 123.705 0.000 . . . . . . 22 V N . 19114 1 175 . 1 1 31 31 ALA H H 1 8.5400 0.000 . . . . . . 23 A H . 19114 1 176 . 1 1 31 31 ALA HA H 1 4.320 0.000 . . . . . . 23 A HA . 19114 1 177 . 1 1 31 31 ALA C C 13 177.396 0.000 . . . . . . 23 A CO . 19114 1 178 . 1 1 31 31 ALA CA C 13 51.870 0.000 . . . . . . 23 A CA . 19114 1 179 . 1 1 31 31 ALA CB C 13 18.978 0.000 . . . . . . 23 A CB . 19114 1 180 . 1 1 31 31 ALA N N 15 128.797 0.000 . . . . . . 23 A N . 19114 1 181 . 1 1 32 32 ILE H H 1 8.3590 0.000 . . . . . . 24 I H . 19114 1 182 . 1 1 32 32 ILE HA H 1 4.118 0.000 . . . . . . 24 I HA . 19114 1 183 . 1 1 32 32 ILE C C 13 176.131 0.000 . . . . . . 24 I CO . 19114 1 184 . 1 1 32 32 ILE CA C 13 60.908 0.000 . . . . . . 24 I CA . 19114 1 185 . 1 1 32 32 ILE CB C 13 38.346 0.000 . . . . . . 24 I CB . 19114 1 186 . 1 1 32 32 ILE CD1 C 13 13.052 0.000 . . . . . . 24 I CD1 . 19114 1 187 . 1 1 32 32 ILE N N 15 121.390 0.000 . . . . . . 24 I N . 19114 1 188 . 1 1 33 33 SER H H 1 8.4500 0.000 . . . . . . 25 S H . 19114 1 189 . 1 1 33 33 SER HA H 1 4.418 0.000 . . . . . . 25 S HA . 19114 1 190 . 1 1 33 33 SER C C 13 174.031 0.000 . . . . . . 25 S CO . 19114 1 191 . 1 1 33 33 SER CA C 13 57.920 0.000 . . . . . . 25 S CA . 19114 1 192 . 1 1 33 33 SER CB C 13 63.431 0.000 . . . . . . 25 S CB . 19114 1 193 . 1 1 33 33 SER N N 15 119.750 0.000 . . . . . . 25 S N . 19114 1 194 . 1 1 34 34 ASP H H 1 8.3990 0.000 . . . . . . 26 D H . 19114 1 195 . 1 1 34 34 ASP HA H 1 4.567 0.000 . . . . . . 26 D HA . 19114 1 196 . 1 1 34 34 ASP C C 13 175.996 0.000 . . . . . . 26 D CO . 19114 1 197 . 1 1 34 34 ASP CA C 13 54.049 0.000 . . . . . . 26 D CA . 19114 1 198 . 1 1 34 34 ASP CB C 13 40.700 0.000 . . . . . . 26 D CB . 19114 1 199 . 1 1 34 34 ASP N N 15 123.197 0.000 . . . . . . 26 D N . 19114 1 200 . 1 1 35 35 ALA H H 1 8.2970 0.000 . . . . . . 27 A H . 19114 1 201 . 1 1 35 35 ALA HA H 1 4.200 0.000 . . . . . . 27 A HA . 19114 1 202 . 1 1 35 35 ALA C C 13 177.510 0.000 . . . . . . 27 A CO . 19114 1 203 . 1 1 35 35 ALA CA C 13 52.530 0.000 . . . . . . 27 A CA . 19114 1 204 . 1 1 35 35 ALA CB C 13 18.703 0.000 . . . . . . 27 A CB . 19114 1 205 . 1 1 35 35 ALA N N 15 124.556 0.000 . . . . . . 27 A N . 19114 1 206 . 1 1 36 36 ALA H H 1 8.2760 0.000 . . . . . . 28 A H . 19114 1 207 . 1 1 36 36 ALA HA H 1 4.231 0.000 . . . . . . 28 A HA . 19114 1 208 . 1 1 36 36 ALA C C 13 177.496 0.000 . . . . . . 28 A CO . 19114 1 209 . 1 1 36 36 ALA CA C 13 52.310 0.000 . . . . . . 28 A CA . 19114 1 210 . 1 1 36 36 ALA CB C 13 18.705 0.000 . . . . . . 28 A CB . 19114 1 211 . 1 1 36 36 ALA N N 15 122.297 0.000 . . . . . . 28 A N . 19114 1 212 . 1 1 37 37 GLN H H 1 8.1950 0.000 . . . . . . 29 Q H . 19114 1 213 . 1 1 37 37 GLN HA H 1 4.287 0.000 . . . . . . 29 Q HA . 19114 1 214 . 1 1 37 37 GLN C C 13 175.427 0.000 . . . . . . 29 Q CO . 19114 1 215 . 1 1 37 37 GLN CA C 13 54.915 0.000 . . . . . . 29 Q CA . 19114 1 216 . 1 1 37 37 GLN CB C 13 29.213 0.000 . . . . . . 29 Q CB . 19114 1 217 . 1 1 37 37 GLN CG C 13 33.471 0.000 . . . . . . 29 Q CG . 19114 1 218 . 1 1 37 37 GLN N N 15 118.707 0.000 . . . . . . 29 Q N . 19114 1 219 . 1 1 38 38 LEU H H 1 8.2810 0.000 . . . . . . 30 L H . 19114 1 220 . 1 1 38 38 LEU HA H 1 4.536 0.000 . . . . . . 30 L HA . 19114 1 221 . 1 1 38 38 LEU C C 13 174.766 0.000 . . . . . . 30 L CO . 19114 1 222 . 1 1 38 38 LEU CA C 13 52.810 0.000 . . . . . . 30 L CA . 19114 1 223 . 1 1 38 38 LEU CB C 13 41.000 0.000 . . . . . . 30 L CB . 19114 1 224 . 1 1 38 38 LEU N N 15 124.985 0.000 . . . . . . 30 L N . 19114 1 225 . 1 1 39 39 PRO HA H 1 4.395 0.000 . . . . . . 31 P HA . 19114 1 226 . 1 1 39 39 PRO C C 13 176.447 0.000 . . . . . . 31 P CO . 19114 1 227 . 1 1 39 39 PRO CA C 13 62.720 0.000 . . . . . . 31 P CA . 19114 1 228 . 1 1 39 39 PRO CB C 13 31.767 0.000 . . . . . . 31 P CB . 19114 1 229 . 1 1 39 39 PRO CG C 13 27.201 0.000 . . . . . . 31 P CG . 19114 1 230 . 1 1 39 39 PRO CD C 13 50.142 0.000 . . . . . . 31 P CD . 19114 1 231 . 1 1 40 40 HIS H H 1 8.6490 0.000 . . . . . . 32 H H . 19114 1 232 . 1 1 40 40 HIS HA H 1 4.540 0.000 . . . . . . 32 H HA . 19114 1 233 . 1 1 40 40 HIS C C 13 173.743 0.000 . . . . . . 32 H CO . 19114 1 234 . 1 1 40 40 HIS CA C 13 55.128 0.000 . . . . . . 32 H CA . 19114 1 235 . 1 1 40 40 HIS CB C 13 28.908 0.000 . . . . . . 32 H CB . 19114 1 236 . 1 1 40 40 HIS N N 15 119.089 0.000 . . . . . . 32 H N . 19114 1 237 . 1 1 41 41 ASP H H 1 8.4200 0.000 . . . . . . 33 D H . 19114 1 238 . 1 1 41 41 ASP C C 13 175.369 0.000 . . . . . . 33 D CO . 19114 1 239 . 1 1 41 41 ASP CA C 13 53.584 0.000 . . . . . . 33 D CA . 19114 1 240 . 1 1 41 41 ASP CB C 13 40.567 0.000 . . . . . . 33 D CB . 19114 1 241 . 1 1 41 41 ASP N N 15 121.193 0.000 . . . . . . 33 D N . 19114 1 242 . 1 1 42 42 TYR H H 1 8.2130 0.000 . . . . . . 34 Y H . 19114 1 243 . 1 1 42 42 TYR C C 13 175.208 0.000 . . . . . . 34 Y CO . 19114 1 244 . 1 1 42 42 TYR CA C 13 57.522 0.000 . . . . . . 34 Y CA . 19114 1 245 . 1 1 42 42 TYR CB C 13 38.366 0.000 . . . . . . 34 Y CB . 19114 1 246 . 1 1 42 42 TYR N N 15 120.658 0.000 . . . . . . 34 Y N . 19114 1 247 . 1 1 43 43 CYS H H 1 8.6830 0.000 . . . . . . 35 C H . 19114 1 248 . 1 1 43 43 CYS C C 13 174.112 0.000 . . . . . . 35 C CO . 19114 1 249 . 1 1 43 43 CYS CA C 13 58.230 0.000 . . . . . . 35 C CA . 19114 1 250 . 1 1 43 43 CYS CB C 13 27.802 0.000 . . . . . . 35 C CB . 19114 1 251 . 1 1 43 43 CYS N N 15 121.751 0.000 . . . . . . 35 C N . 19114 1 252 . 1 1 44 44 THR H H 1 8.3110 0.000 . . . . . . 36 T H . 19114 1 253 . 1 1 44 44 THR C C 13 173.422 0.000 . . . . . . 36 T CO . 19114 1 254 . 1 1 44 44 THR CA C 13 61.233 0.000 . . . . . . 36 T CA . 19114 1 255 . 1 1 44 44 THR CB C 13 69.600 0.000 . . . . . . 36 T CB . 19114 1 256 . 1 1 44 44 THR CG2 C 13 21.291 0.000 . . . . . . 36 T CG2 . 19114 1 257 . 1 1 44 44 THR N N 15 116.747 0.000 . . . . . . 36 T N . 19114 1 258 . 1 1 45 45 THR H H 1 8.1790 0.000 . . . . . . 37 T H . 19114 1 259 . 1 1 45 45 THR HA H 1 4.604 0.000 . . . . . . 37 T HA . 19114 1 260 . 1 1 45 45 THR C C 13 172.387 0.000 . . . . . . 37 T CO . 19114 1 261 . 1 1 45 45 THR CA C 13 59.450 0.000 . . . . . . 37 T CA . 19114 1 262 . 1 1 45 45 THR CB C 13 69.280 0.000 . . . . . . 37 T CB . 19114 1 263 . 1 1 45 45 THR N N 15 117.147 0.000 . . . . . . 37 T N . 19114 1 264 . 1 1 46 46 PRO HA H 1 4.399 0.000 . . . . . . 38 P HA . 19114 1 265 . 1 1 46 46 PRO C C 13 177.271 0.000 . . . . . . 38 P CO . 19114 1 266 . 1 1 46 46 PRO CA C 13 63.304 0.000 . . . . . . 38 P CA . 19114 1 267 . 1 1 46 46 PRO CB C 13 31.704 0.000 . . . . . . 38 P CB . 19114 1 268 . 1 1 46 46 PRO CG C 13 27.288 0.000 . . . . . . 38 P CG . 19114 1 269 . 1 1 46 46 PRO CD C 13 50.753 0.000 . . . . . . 38 P CD . 19114 1 270 . 1 1 47 47 GLY H H 1 8.6600 0.000 . . . . . . 39 G H . 19114 1 271 . 1 1 47 47 GLY C C 13 174.414 0.000 . . . . . . 39 G CO . 19114 1 272 . 1 1 47 47 GLY CA C 13 44.895 0.000 . . . . . . 39 G CA . 19114 1 273 . 1 1 47 47 GLY N N 15 110.083 0.000 . . . . . . 39 G N . 19114 1 274 . 1 1 48 48 GLY H H 1 8.3090 0.000 . . . . . . 40 G H . 19114 1 275 . 1 1 48 48 GLY C C 13 173.740 0.000 . . . . . . 40 G CO . 19114 1 276 . 1 1 48 48 GLY CA C 13 44.815 0.000 . . . . . . 40 G CA . 19114 1 277 . 1 1 48 48 GLY N N 15 108.864 0.000 . . . . . . 40 G N . 19114 1 278 . 1 1 49 49 THR H H 1 8.1330 0.000 . . . . . . 41 T H . 19114 1 279 . 1 1 49 49 THR C C 13 173.904 0.000 . . . . . . 41 T CO . 19114 1 280 . 1 1 49 49 THR CA C 13 61.580 0.000 . . . . . . 41 T CA . 19114 1 281 . 1 1 49 49 THR CB C 13 69.514 0.000 . . . . . . 41 T CB . 19114 1 282 . 1 1 49 49 THR CG2 C 13 21.484 0.000 . . . . . . 41 T CG2 . 19114 1 283 . 1 1 49 49 THR N N 15 114.097 0.000 . . . . . . 41 T N . 19114 1 284 . 1 1 50 50 LEU H H 1 8.3910 0.000 . . . . . . 42 L H . 19114 1 285 . 1 1 50 50 LEU C C 13 176.467 0.000 . . . . . . 42 L CO . 19114 1 286 . 1 1 50 50 LEU CA C 13 54.023 0.000 . . . . . . 42 L CA . 19114 1 287 . 1 1 50 50 LEU CB C 13 42.356 0.000 . . . . . . 42 L CB . 19114 1 288 . 1 1 50 50 LEU CG C 13 26.315 0.000 . . . . . . 42 L CG . 19114 1 289 . 1 1 50 50 LEU N N 15 124.904 0.000 . . . . . . 42 L N . 19114 1 290 . 1 1 51 51 PHE H H 1 8.7350 0.000 . . . . . . 43 F H . 19114 1 291 . 1 1 51 51 PHE C C 13 176.013 0.000 . . . . . . 43 F CO . 19114 1 292 . 1 1 51 51 PHE CA C 13 58.508 0.000 . . . . . . 43 F CA . 19114 1 293 . 1 1 51 51 PHE CB C 13 40.020 0.000 . . . . . . 43 F CB . 19114 1 294 . 1 1 51 51 PHE N N 15 125.131 0.000 . . . . . . 43 F N . 19114 1 295 . 1 1 52 52 SER H H 1 8.4420 0.000 . . . . . . 44 S H . 19114 1 296 . 1 1 52 52 SER C C 13 174.031 0.000 . . . . . . 44 S CO . 19114 1 297 . 1 1 52 52 SER CA C 13 57.646 0.000 . . . . . . 44 S CA . 19114 1 298 . 1 1 52 52 SER CB C 13 63.812 0.000 . . . . . . 44 S CB . 19114 1 299 . 1 1 52 52 SER N N 15 119.762 0.000 . . . . . . 44 S N . 19114 1 300 . 1 1 53 53 THR H H 1 8.3720 0.000 . . . . . . 45 T H . 19114 1 301 . 1 1 53 53 THR C C 13 174.359 0.000 . . . . . . 45 T CO . 19114 1 302 . 1 1 53 53 THR CA C 13 61.233 0.000 . . . . . . 45 T CA . 19114 1 303 . 1 1 53 53 THR CB C 13 69.600 0.000 . . . . . . 45 T CB . 19114 1 304 . 1 1 53 53 THR CG2 C 13 21.291 0.000 . . . . . . 45 T CG2 . 19114 1 305 . 1 1 53 53 THR N N 15 115.647 0.000 . . . . . . 45 T N . 19114 1 306 . 1 1 54 54 THR H H 1 8.1790 0.000 . . . . . . 46 T H . 19114 1 307 . 1 1 54 54 THR C C 13 178.354 0.000 . . . . . . 46 T CO . 19114 1 308 . 1 1 54 54 THR CA C 13 58.470 0.000 . . . . . . 46 T CA . 19114 1 309 . 1 1 54 54 THR CB C 13 69.670 0.000 . . . . . . 46 T CB . 19114 1 310 . 1 1 54 54 THR N N 15 117.147 0.000 . . . . . . 46 T N . 19114 1 311 . 1 1 55 55 PRO C C 13 177.269 0.000 . . . . . . 47 P CO . 19114 1 312 . 1 1 55 55 PRO CA C 13 63.304 0.000 . . . . . . 47 P CA . 19114 1 313 . 1 1 55 55 PRO CB C 13 27.207 0.000 . . . . . . 47 P CB . 19114 1 314 . 1 1 55 55 PRO CG C 13 50.753 0.000 . . . . . . 47 P CG . 19114 1 315 . 1 1 56 56 GLY H H 1 8.6600 0.000 . . . . . . 48 G H . 19114 1 316 . 1 1 56 56 GLY C C 13 174.414 0.000 . . . . . . 48 G CO . 19114 1 317 . 1 1 56 56 GLY CA C 13 44.895 0.000 . . . . . . 48 G CA . 19114 1 318 . 1 1 56 56 GLY N N 15 110.083 0.000 . . . . . . 48 G N . 19114 1 319 . 1 1 57 57 GLY H H 1 8.3600 0.000 . . . . . . 49 G H . 19114 1 320 . 1 1 57 57 GLY C C 13 173.939 0.000 . . . . . . 49 G CO . 19114 1 321 . 1 1 57 57 GLY CA C 13 44.815 0.000 . . . . . . 49 G CA . 19114 1 322 . 1 1 57 57 GLY N N 15 108.960 0.000 . . . . . . 49 G N . 19114 1 323 . 1 1 58 58 THR H H 1 8.1330 0.000 . . . . . . 50 T H . 19114 1 324 . 1 1 58 58 THR C C 13 173.904 0.000 . . . . . . 50 T CO . 19114 1 325 . 1 1 58 58 THR CA C 13 61.719 0.000 . . . . . . 50 T CA . 19114 1 326 . 1 1 58 58 THR CB C 13 69.315 0.000 . . . . . . 50 T CB . 19114 1 327 . 1 1 58 58 THR CG2 C 13 21.453 0.000 . . . . . . 50 T CG2 . 19114 1 328 . 1 1 58 58 THR N N 15 114.097 0.000 . . . . . . 50 T N . 19114 1 329 . 1 1 59 59 ARG H H 1 8.5230 0.000 . . . . . . 51 R H . 19114 1 330 . 1 1 59 59 ARG C C 13 175.482 0.000 . . . . . . 51 R CO . 19114 1 331 . 1 1 59 59 ARG CA C 13 55.772 0.000 . . . . . . 51 R CA . 19114 1 332 . 1 1 59 59 ARG CB C 13 30.471 0.000 . . . . . . 51 R CB . 19114 1 333 . 1 1 59 59 ARG CG C 13 26.750 0.000 . . . . . . 51 R CG . 19114 1 334 . 1 1 59 59 ARG CD C 13 42.959 0.000 . . . . . . 51 R CD . 19114 1 335 . 1 1 59 59 ARG N N 15 124.692 0.000 . . . . . . 51 R N . 19114 1 336 . 1 1 60 60 ILE H H 1 8.3020 0.000 . . . . . . 52 I H . 19114 1 337 . 1 1 60 60 ILE HA H 1 3.980 0.000 . . . . . . 52 I HA . 19114 1 338 . 1 1 60 60 ILE C C 13 175.116 0.000 . . . . . . 52 I CO . 19114 1 339 . 1 1 60 60 ILE CA C 13 60.691 0.000 . . . . . . 52 I CA . 19114 1 340 . 1 1 60 60 ILE CB C 13 38.259 0.000 . . . . . . 52 I CB . 19114 1 341 . 1 1 60 60 ILE CD1 C 13 12.318 0.000 . . . . . . 52 I CD1 . 19114 1 342 . 1 1 60 60 ILE N N 15 124.174 0.000 . . . . . . 52 I N . 19114 1 343 . 1 1 61 61 ILE C C 13 175.253 0.000 . . . . . . 53 I CO . 19114 1 344 . 1 1 61 61 ILE CA C 13 60.561 0.000 . . . . . . 53 I CA . 19114 1 345 . 1 1 61 61 ILE CB C 13 38.122 0.000 . . . . . . 53 I CB . 19114 1 346 . 1 1 61 61 ILE CD1 C 13 12.328 0.000 . . . . . . 53 I CD1 . 19114 1 347 . 1 1 62 62 TYR H H 1 8.2250 0.000 . . . . . . 54 Y H . 19114 1 348 . 1 1 62 62 TYR C C 13 175.480 0.000 . . . . . . 54 Y CO . 19114 1 349 . 1 1 62 62 TYR CA C 13 60.254 0.000 . . . . . . 54 Y CA . 19114 1 350 . 1 1 62 62 TYR CB C 13 37.760 0.000 . . . . . . 54 Y CB . 19114 1 351 . 1 1 62 62 TYR N N 15 125.996 0.000 . . . . . . 54 Y N . 19114 1 352 . 1 1 63 63 ASP H H 1 8.3590 0.000 . . . . . . 55 D H . 19114 1 353 . 1 1 63 63 ASP C C 13 175.850 0.000 . . . . . . 55 D CO . 19114 1 354 . 1 1 63 63 ASP CA C 13 53.573 0.000 . . . . . . 55 D CA . 19114 1 355 . 1 1 63 63 ASP CB C 13 41.129 0.000 . . . . . . 55 D CB . 19114 1 356 . 1 1 63 63 ASP N N 15 122.638 0.000 . . . . . . 55 D N . 19114 1 357 . 1 1 64 64 ARG H H 1 8.3990 0.000 . . . . . . 56 R H . 19114 1 358 . 1 1 64 64 ARG C C 13 176.544 0.000 . . . . . . 56 R CO . 19114 1 359 . 1 1 64 64 ARG CA C 13 56.906 0.000 . . . . . . 56 R CA . 19114 1 360 . 1 1 64 64 ARG CB C 13 30.056 0.000 . . . . . . 56 R CB . 19114 1 361 . 1 1 64 64 ARG CG C 13 26.909 0.000 . . . . . . 56 R CG . 19114 1 362 . 1 1 64 64 ARG CD C 13 42.977 0.000 . . . . . . 56 R CD . 19114 1 363 . 1 1 64 64 ARG N N 15 122.344 0.000 . . . . . . 56 R N . 19114 1 364 . 1 1 65 65 LYS H H 1 8.3740 0.000 . . . . . . 57 K H . 19114 1 365 . 1 1 65 65 LYS C C 13 176.574 0.000 . . . . . . 57 K CO . 19114 1 366 . 1 1 65 65 LYS CA C 13 57.186 0.000 . . . . . . 57 K CA . 19114 1 367 . 1 1 65 65 LYS CB C 13 32.052 0.000 . . . . . . 57 K CB . 19114 1 368 . 1 1 65 65 LYS CG C 13 24.493 0.000 . . . . . . 57 K CG . 19114 1 369 . 1 1 65 65 LYS CD C 13 28.715 0.000 . . . . . . 57 K CD . 19114 1 370 . 1 1 65 65 LYS CE C 13 41.618 0.000 . . . . . . 57 K CE . 19114 1 371 . 1 1 65 65 LYS N N 15 120.936 0.000 . . . . . . 57 K N . 19114 1 372 . 1 1 66 66 PHE H H 1 8.0800 0.000 . . . . . . 58 F H . 19114 1 373 . 1 1 66 66 PHE C C 13 175.786 0.000 . . . . . . 58 F CO . 19114 1 374 . 1 1 66 66 PHE CA C 13 58.158 0.000 . . . . . . 58 F CA . 19114 1 375 . 1 1 66 66 PHE CB C 13 39.007 0.000 . . . . . . 58 F CB . 19114 1 376 . 1 1 66 66 PHE N N 15 119.904 0.000 . . . . . . 58 F N . 19114 1 377 . 1 1 67 67 LEU H H 1 8.0110 0.000 . . . . . . 59 L H . 19114 1 378 . 1 1 67 67 LEU C C 13 177.267 0.000 . . . . . . 59 L CO . 19114 1 379 . 1 1 67 67 LEU CA C 13 55.261 0.000 . . . . . . 59 L CA . 19114 1 380 . 1 1 67 67 LEU CB C 13 41.894 0.000 . . . . . . 59 L CB . 19114 1 381 . 1 1 67 67 LEU CG C 13 26.561 0.000 . . . . . . 59 L CG . 19114 1 382 . 1 1 67 67 LEU N N 15 121.852 0.000 . . . . . . 59 L N . 19114 1 383 . 1 1 68 68 LEU H H 1 8.0900 0.000 . . . . . . 60 L H . 19114 1 384 . 1 1 68 68 LEU HA H 1 4.188 0.000 . . . . . . 60 L HA . 19114 1 385 . 1 1 68 68 LEU C C 13 176.957 0.000 . . . . . . 60 L CO . 19114 1 386 . 1 1 68 68 LEU CA C 13 55.265 0.000 . . . . . . 60 L CA . 19114 1 387 . 1 1 68 68 LEU CB C 13 41.870 0.000 . . . . . . 60 L CB . 19114 1 388 . 1 1 68 68 LEU CG C 13 26.771 0.000 . . . . . . 60 L CG . 19114 1 389 . 1 1 68 68 LEU N N 15 121.799 0.000 . . . . . . 60 L N . 19114 1 390 . 1 1 69 69 ASP H H 1 8.2460 0.000 . . . . . . 61 D H . 19114 1 391 . 1 1 69 69 ASP HA H 1 4.534 0.000 . . . . . . 61 D HA . 19114 1 392 . 1 1 69 69 ASP C C 13 176.407 0.000 . . . . . . 61 D CO . 19114 1 393 . 1 1 69 69 ASP CA C 13 54.005 0.000 . . . . . . 61 D CA . 19114 1 394 . 1 1 69 69 ASP CB C 13 40.663 0.000 . . . . . . 61 D CB . 19114 1 395 . 1 1 69 69 ASP N N 15 120.843 0.000 . . . . . . 61 D N . 19114 1 396 . 1 1 70 70 ARG H H 1 8.2940 0.000 . . . . . . 62 R H . 19114 1 397 . 1 1 70 70 ARG C C 13 176.528 0.000 . . . . . . 62 R CO . 19114 1 398 . 1 1 70 70 ARG CA C 13 56.186 0.000 . . . . . . 62 R CA . 19114 1 399 . 1 1 70 70 ARG CB C 13 29.833 0.000 . . . . . . 62 R CB . 19114 1 400 . 1 1 70 70 ARG CG C 13 26.700 0.000 . . . . . . 62 R CG . 19114 1 401 . 1 1 70 70 ARG CD C 13 42.946 0.000 . . . . . . 62 R CD . 19114 1 402 . 1 1 70 70 ARG N N 15 122.002 0.000 . . . . . . 62 R N . 19114 1 403 . 1 1 71 71 ARG H H 1 8.3160 0.000 . . . . . . 63 R H . 19114 1 404 . 1 1 71 71 ARG HA H 1 4.195 0.000 . . . . . . 63 R HA . 19114 1 405 . 1 1 71 71 ARG C C 13 176.131 0.000 . . . . . . 63 R CO . 19114 1 406 . 1 1 71 71 ARG CA C 13 56.551 0.000 . . . . . . 63 R CA . 19114 1 407 . 1 1 71 71 ARG CB C 13 30.125 0.000 . . . . . . 63 R CB . 19114 1 408 . 1 1 71 71 ARG CG C 13 26.769 0.000 . . . . . . 63 R CG . 19114 1 409 . 1 1 71 71 ARG CD C 13 43.019 0.000 . . . . . . 63 R CD . 19114 1 410 . 1 1 71 71 ARG N N 15 120.730 0.000 . . . . . . 63 R N . 19114 1 411 . 1 1 72 72 ASN H H 1 8.3600 0.000 . . . . . . 64 N H . 19114 1 412 . 1 1 72 72 ASN HA H 1 4.710 0.000 . . . . . . 64 N HA . 19114 1 413 . 1 1 72 72 ASN C C 13 174.465 0.000 . . . . . . 64 N CO . 19114 1 414 . 1 1 72 72 ASN CA C 13 52.710 0.000 . . . . . . 64 N CA . 19114 1 415 . 1 1 72 72 ASN CB C 13 38.607 0.000 . . . . . . 64 N CB . 19114 1 416 . 1 1 72 72 ASN N N 15 118.242 0.000 . . . . . . 64 N N . 19114 1 417 . 1 1 73 73 SER H H 1 8.1460 0.000 . . . . . . 65 S H . 19114 1 418 . 1 1 73 73 SER HA H 1 4.728 0.000 . . . . . . 65 S HA . 19114 1 419 . 1 1 73 73 SER C C 13 178.296 0.000 . . . . . . 65 S CO . 19114 1 420 . 1 1 73 73 SER CA C 13 56.030 0.000 . . . . . . 65 S CA . 19114 1 421 . 1 1 73 73 SER CB C 13 62.830 0.000 . . . . . . 65 S CB . 19114 1 422 . 1 1 73 73 SER N N 15 117.097 0.000 . . . . . . 65 S N . 19114 1 423 . 1 1 74 74 PRO HA H 1 4.421 0.000 . . . . . . 66 P HA . 19114 1 424 . 1 1 74 74 PRO C C 13 176.706 0.000 . . . . . . 66 P CO . 19114 1 425 . 1 1 74 74 PRO CA C 13 63.040 0.000 . . . . . . 66 P CA . 19114 1 426 . 1 1 74 74 PRO CB C 13 31.728 0.000 . . . . . . 66 P CB . 19114 1 427 . 1 1 74 74 PRO CG C 13 27.100 0.000 . . . . . . 66 P CG . 19114 1 428 . 1 1 74 74 PRO CD C 13 50.351 0.000 . . . . . . 66 P CD . 19114 1 429 . 1 1 75 75 MET H H 1 8.4710 0.000 . . . . . . 67 M H . 19114 1 430 . 1 1 75 75 MET HA H 1 4.397 0.000 . . . . . . 67 M HA . 19114 1 431 . 1 1 75 75 MET C C 13 175.716 0.000 . . . . . . 67 M CO . 19114 1 432 . 1 1 75 75 MET CA C 13 55.022 0.000 . . . . . . 67 M CA . 19114 1 433 . 1 1 75 75 MET CB C 13 31.693 0.000 . . . . . . 67 M CB . 19114 1 434 . 1 1 75 75 MET N N 15 120.328 0.000 . . . . . . 67 M N . 19114 1 435 . 1 1 76 76 ALA H H 1 8.3590 0.000 . . . . . . 68 A H . 19114 1 436 . 1 1 76 76 ALA HA H 1 4.269 0.000 . . . . . . 68 A HA . 19114 1 437 . 1 1 76 76 ALA C C 13 177.187 0.000 . . . . . . 68 A CO . 19114 1 438 . 1 1 76 76 ALA CA C 13 51.950 0.000 . . . . . . 68 A CA . 19114 1 439 . 1 1 76 76 ALA CB C 13 18.880 0.000 . . . . . . 68 A CB . 19114 1 440 . 1 1 76 76 ALA N N 15 125.544 0.000 . . . . . . 68 A N . 19114 1 441 . 1 1 77 77 GLN H H 1 8.4610 0.000 . . . . . . 69 Q H . 19114 1 442 . 1 1 77 77 GLN HA H 1 4.348 0.000 . . . . . . 69 Q HA . 19114 1 443 . 1 1 77 77 GLN C C 13 175.575 0.000 . . . . . . 69 Q CO . 19114 1 444 . 1 1 77 77 GLN CA C 13 55.034 0.000 . . . . . . 69 Q CA . 19114 1 445 . 1 1 77 77 GLN CB C 13 29.310 0.000 . . . . . . 69 Q CB . 19114 1 446 . 1 1 77 77 GLN CG C 13 33.465 0.000 . . . . . . 69 Q CG . 19114 1 447 . 1 1 77 77 GLN N N 15 119.881 0.000 . . . . . . 69 Q N . 19114 1 448 . 1 1 78 78 THR H H 1 8.3860 0.000 . . . . . . 70 T H . 19114 1 449 . 1 1 78 78 THR HA H 1 4.523 0.000 . . . . . . 70 T HA . 19114 1 450 . 1 1 78 78 THR C C 13 171.939 0.000 . . . . . . 70 T CO . 19114 1 451 . 1 1 78 78 THR CA C 13 59.618 0.000 . . . . . . 70 T CA . 19114 1 452 . 1 1 78 78 THR CB C 13 69.200 0.000 . . . . . . 70 T CB . 19114 1 453 . 1 1 78 78 THR N N 15 119.250 0.000 . . . . . . 70 T N . 19114 1 454 . 1 1 79 79 PRO HA H 1 4.676 0.000 . . . . . . 71 P HA . 19114 1 455 . 1 1 80 80 PRO HA H 1 4.357 0.000 . . . . . . 72 P HA . 19114 1 456 . 1 1 80 80 PRO C C 13 176.259 0.000 . . . . . . 72 P CO . 19114 1 457 . 1 1 80 80 PRO CA C 13 62.512 0.000 . . . . . . 72 P CA . 19114 1 458 . 1 1 80 80 PRO CB C 13 31.839 0.000 . . . . . . 72 P CB . 19114 1 459 . 1 1 80 80 PRO CG C 13 27.122 0.000 . . . . . . 72 P CG . 19114 1 460 . 1 1 80 80 PRO CD C 13 50.109 0.000 . . . . . . 72 P CD . 19114 1 461 . 1 1 81 81 CYS H H 1 8.5210 0.000 . . . . . . 73 C H . 19114 1 462 . 1 1 81 81 CYS HA H 1 4.407 0.000 . . . . . . 73 C HA . 19114 1 463 . 1 1 81 81 CYS C C 13 173.896 0.000 . . . . . . 73 C CO . 19114 1 464 . 1 1 81 81 CYS CA C 13 57.962 0.000 . . . . . . 73 C CA . 19114 1 465 . 1 1 81 81 CYS CB C 13 27.780 0.000 . . . . . . 73 C CB . 19114 1 466 . 1 1 81 81 CYS N N 15 119.530 0.000 . . . . . . 73 C N . 19114 1 467 . 1 1 82 82 HIS H H 1 8.6590 0.000 . . . . . . 74 H H . 19114 1 468 . 1 1 82 82 HIS HA H 1 4.713 0.000 . . . . . . 74 H HA . 19114 1 469 . 1 1 82 82 HIS C C 13 173.796 0.000 . . . . . . 74 H CO . 19114 1 470 . 1 1 82 82 HIS CA C 13 54.700 0.000 . . . . . . 74 H CA . 19114 1 471 . 1 1 82 82 HIS CB C 13 29.165 0.000 . . . . . . 74 H CB . 19114 1 472 . 1 1 82 82 HIS N N 15 121.597 0.000 . . . . . . 74 H N . 19114 1 473 . 1 1 83 83 LEU H H 1 8.4780 0.000 . . . . . . 75 L H . 19114 1 474 . 1 1 83 83 LEU HA H 1 4.569 0.000 . . . . . . 75 L HA . 19114 1 475 . 1 1 83 83 LEU C C 13 174.718 0.000 . . . . . . 75 L CO . 19114 1 476 . 1 1 83 83 LEU CA C 13 52.740 0.000 . . . . . . 75 L CA . 19114 1 477 . 1 1 83 83 LEU CB C 13 41.170 0.000 . . . . . . 75 L CB . 19114 1 478 . 1 1 83 83 LEU N N 15 125.715 0.000 . . . . . . 75 L N . 19114 1 479 . 1 1 84 84 PRO HA H 1 4.395 0.000 . . . . . . 76 P HA . 19114 1 480 . 1 1 84 84 PRO C C 13 175.425 0.000 . . . . . . 76 P CO . 19114 1 481 . 1 1 84 84 PRO CA C 13 62.590 0.000 . . . . . . 76 P CA . 19114 1 482 . 1 1 84 84 PRO CB C 13 31.759 0.000 . . . . . . 76 P CB . 19114 1 483 . 1 1 84 84 PRO CG C 13 26.993 0.000 . . . . . . 76 P CG . 19114 1 484 . 1 1 84 84 PRO CD C 13 50.079 0.000 . . . . . . 76 P CD . 19114 1 485 . 1 1 85 85 ASN H H 1 8.5950 0.000 . . . . . . 77 N H . 19114 1 486 . 1 1 85 85 ASN HA H 1 4.600 0.000 . . . . . . 77 N HA . 19114 1 487 . 1 1 85 85 ASN C C 13 174.343 0.000 . . . . . . 77 N CO . 19114 1 488 . 1 1 85 85 ASN CA C 13 52.817 0.000 . . . . . . 77 N CA . 19114 1 489 . 1 1 85 85 ASN CB C 13 38.480 0.000 . . . . . . 77 N CB . 19114 1 490 . 1 1 85 85 ASN N N 15 119.082 0.000 . . . . . . 77 N N . 19114 1 491 . 1 1 86 86 ILE H H 1 8.3060 0.000 . . . . . . 78 I H . 19114 1 492 . 1 1 86 86 ILE HA H 1 4.464 0.000 . . . . . . 78 I HA . 19114 1 493 . 1 1 86 86 ILE C C 13 174.002 0.000 . . . . . . 78 I CO . 19114 1 494 . 1 1 86 86 ILE CA C 13 58.004 0.000 . . . . . . 78 I CA . 19114 1 495 . 1 1 86 86 ILE CB C 13 38.570 0.000 . . . . . . 78 I CB . 19114 1 496 . 1 1 86 86 ILE N N 15 123.654 0.000 . . . . . . 78 I N . 19114 1 497 . 1 1 87 87 PRO HA H 1 4.353 0.000 . . . . . . 79 P HA . 19114 1 498 . 1 1 87 87 PRO C C 13 177.100 0.000 . . . . . . 79 P CO . 19114 1 499 . 1 1 87 87 PRO CA C 13 63.250 0.000 . . . . . . 79 P CA . 19114 1 500 . 1 1 87 87 PRO CB C 13 31.800 0.000 . . . . . . 79 P CB . 19114 1 501 . 1 1 87 87 PRO CG C 13 27.126 0.000 . . . . . . 79 P CG . 19114 1 502 . 1 1 87 87 PRO CD C 13 50.666 0.000 . . . . . . 79 P CD . 19114 1 503 . 1 1 88 88 GLY H H 1 8.5850 0.000 . . . . . . 80 G H . 19114 1 504 . 1 1 88 88 GLY HA2 H 1 4.271 0.000 . . . . . . 80 G HA . 19114 1 505 . 1 1 88 88 GLY HA3 H 1 4.271 0.000 . . . . . . 80 G HA . 19114 1 506 . 1 1 88 88 GLY C C 13 173.650 0.000 . . . . . . 80 G CO . 19114 1 507 . 1 1 88 88 GLY CA C 13 44.760 0.000 . . . . . . 80 G CA . 19114 1 508 . 1 1 88 88 GLY N N 15 110.040 0.000 . . . . . . 80 G N . 19114 1 509 . 1 1 89 89 VAL H H 1 8.1020 0.000 . . . . . . 81 V H . 19114 1 510 . 1 1 89 89 VAL HA H 1 4.192 0.000 . . . . . . 81 V HA . 19114 1 511 . 1 1 89 89 VAL C C 13 176.136 0.000 . . . . . . 81 V CO . 19114 1 512 . 1 1 89 89 VAL CA C 13 61.907 0.000 . . . . . . 81 V CA . 19114 1 513 . 1 1 89 89 VAL CB C 13 32.721 0.000 . . . . . . 81 V CB . 19114 1 514 . 1 1 89 89 VAL N N 15 120.053 0.000 . . . . . . 81 V N . 19114 1 515 . 1 1 90 90 THR H H 1 8.4700 0.000 . . . . . . 82 T H . 19114 1 516 . 1 1 90 90 THR HA H 1 4.357 0.000 . . . . . . 82 T HA . 19114 1 517 . 1 1 90 90 THR C C 13 173.879 0.000 . . . . . . 82 T CO . 19114 1 518 . 1 1 90 90 THR CA C 13 69.400 0.000 . . . . . . 82 T CA . 19114 1 519 . 1 1 90 90 THR CB C 13 61.399 0.000 . . . . . . 82 T CB . 19114 1 520 . 1 1 90 90 THR CG2 C 13 21.488 0.000 . . . . . . 82 T CG2 . 19114 1 521 . 1 1 90 90 THR N N 15 118.647 0.000 . . . . . . 82 T N . 19114 1 522 . 1 1 91 91 SER H H 1 8.5190 0.000 . . . . . . 83 S H . 19114 1 523 . 1 1 91 91 SER HA H 1 4.759 0.000 . . . . . . 83 S HA . 19114 1 524 . 1 1 91 91 SER C C 13 172.387 0.000 . . . . . . 83 S CO . 19114 1 525 . 1 1 91 91 SER CA C 13 55.950 0.000 . . . . . . 83 S CA . 19114 1 526 . 1 1 91 91 SER CB C 13 62.800 0.000 . . . . . . 83 S CB . 19114 1 527 . 1 1 91 91 SER N N 15 120.224 0.000 . . . . . . 83 S N . 19114 1 528 . 1 1 92 92 PRO HA H 1 4.417 0.000 . . . . . . 84 P HA . 19114 1 529 . 1 1 92 92 PRO CA C 13 63.314 0.000 . . . . . . 84 P CA . 19114 1 530 . 1 1 92 92 PRO CB C 13 31.749 0.000 . . . . . . 84 P CB . 19114 1 531 . 1 1 92 92 PRO CG C 13 27.067 0.000 . . . . . . 84 P CG . 19114 1 532 . 1 1 92 92 PRO CD C 13 50.449 0.000 . . . . . . 84 P CD . 19114 1 533 . 1 1 93 93 GLY H H 1 8.5730 0.000 . . . . . . 85 G H . 19114 1 534 . 1 1 93 93 GLY C C 13 173.840 0.000 . . . . . . 85 G CO . 19114 1 535 . 1 1 93 93 GLY CA C 13 44.866 0.000 . . . . . . 85 G CA . 19114 1 536 . 1 1 93 93 GLY N N 15 109.295 0.000 . . . . . . 85 G N . 19114 1 537 . 1 1 94 94 THR H H 1 8.0450 0.000 . . . . . . 86 T H . 19114 1 538 . 1 1 94 94 THR HA H 1 4.268 0.000 . . . . . . 86 T HA . 19114 1 539 . 1 1 94 94 THR C C 13 173.917 0.000 . . . . . . 86 T CO . 19114 1 540 . 1 1 94 94 THR CA C 13 61.750 0.000 . . . . . . 86 T CA . 19114 1 541 . 1 1 94 94 THR CB C 13 69.435 0.000 . . . . . . 86 T CB . 19114 1 542 . 1 1 94 94 THR CG2 C 13 21.330 0.000 . . . . . . 86 T CG2 . 19114 1 543 . 1 1 94 94 THR N N 15 114.577 0.000 . . . . . . 86 T N . 19114 1 544 . 1 1 95 95 LEU H H 1 8.4170 0.000 . . . . . . 87 L H . 19114 1 545 . 1 1 95 95 LEU HA H 1 4.364 0.000 . . . . . . 87 L HA . 19114 1 546 . 1 1 95 95 LEU C C 13 176.780 0.000 . . . . . . 87 L CO . 19114 1 547 . 1 1 95 95 LEU CA C 13 54.837 0.000 . . . . . . 87 L CA . 19114 1 548 . 1 1 95 95 LEU CB C 13 41.913 0.000 . . . . . . 87 L CB . 19114 1 549 . 1 1 95 95 LEU CG C 13 26.745 0.000 . . . . . . 87 L CG . 19114 1 550 . 1 1 95 95 LEU N N 15 125.593 0.000 . . . . . . 87 L N . 19114 1 551 . 1 1 96 96 ILE H H 1 8.3370 0.000 . . . . . . 88 I H . 19114 1 552 . 1 1 96 96 ILE HA H 1 4.105 0.000 . . . . . . 88 I HA . 19114 1 553 . 1 1 96 96 ILE C C 13 175.976 0.000 . . . . . . 88 I CO . 19114 1 554 . 1 1 96 96 ILE CA C 13 60.700 0.000 . . . . . . 88 I CA . 19114 1 555 . 1 1 96 96 ILE CB C 13 38.133 0.000 . . . . . . 88 I CB . 19114 1 556 . 1 1 96 96 ILE CD1 C 13 13.052 0.000 . . . . . . 88 I CD1 . 19114 1 557 . 1 1 96 96 ILE N N 15 123.523 0.000 . . . . . . 88 I N . 19114 1 558 . 1 1 97 97 GLU H H 1 8.6330 0.000 . . . . . . 89 E H . 19114 1 559 . 1 1 97 97 GLU C C 13 175.796 0.000 . . . . . . 89 E CO . 19114 1 560 . 1 1 97 97 GLU CA C 13 56.170 0.000 . . . . . . 89 E CA . 19114 1 561 . 1 1 97 97 GLU CB C 13 29.956 0.000 . . . . . . 89 E CB . 19114 1 562 . 1 1 97 97 GLU CG C 13 35.869 0.000 . . . . . . 89 E CG . 19114 1 563 . 1 1 97 97 GLU N N 15 125.897 0.000 . . . . . . 89 E N . 19114 1 564 . 1 1 98 98 ASP H H 1 8.5080 0.000 . . . . . . 90 D H . 19114 1 565 . 1 1 98 98 ASP HA H 1 4.574 0.000 . . . . . . 90 D HA . 19114 1 566 . 1 1 98 98 ASP C C 13 176.042 0.000 . . . . . . 90 D CO . 19114 1 567 . 1 1 98 98 ASP CA C 13 54.120 0.000 . . . . . . 90 D CA . 19114 1 568 . 1 1 98 98 ASP CB C 13 40.746 0.000 . . . . . . 90 D CB . 19114 1 569 . 1 1 98 98 ASP N N 15 122.442 0.000 . . . . . . 90 D N . 19114 1 570 . 1 1 99 99 SER H H 1 8.3660 0.000 . . . . . . 91 S H . 19114 1 571 . 1 1 99 99 SER C C 13 174.230 0.000 . . . . . . 91 S CO . 19114 1 572 . 1 1 99 99 SER CA C 13 58.240 0.000 . . . . . . 91 S CA . 19114 1 573 . 1 1 99 99 SER CB C 13 63.525 0.000 . . . . . . 91 S CB . 19114 1 574 . 1 1 99 99 SER N N 15 116.688 0.000 . . . . . . 91 S N . 19114 1 575 . 1 1 100 100 LYS H H 1 8.4350 0.000 . . . . . . 92 K H . 19114 1 576 . 1 1 100 100 LYS HA H 1 4.326 0.000 . . . . . . 92 K HA . 19114 1 577 . 1 1 100 100 LYS C C 13 176.125 0.000 . . . . . . 92 K CO . 19114 1 578 . 1 1 100 100 LYS CA C 13 55.870 0.000 . . . . . . 92 K CA . 19114 1 579 . 1 1 100 100 LYS CB C 13 32.601 0.000 . . . . . . 92 K CB . 19114 1 580 . 1 1 100 100 LYS CG C 13 24.442 0.000 . . . . . . 92 K CG . 19114 1 581 . 1 1 100 100 LYS CD C 13 28.695 0.000 . . . . . . 92 K CD . 19114 1 582 . 1 1 100 100 LYS CE C 13 41.821 0.000 . . . . . . 92 K CE . 19114 1 583 . 1 1 100 100 LYS N N 15 123.506 0.000 . . . . . . 92 K N . 19114 1 584 . 1 1 101 101 VAL H H 1 8.1480 0.000 . . . . . . 93 V H . 19114 1 585 . 1 1 101 101 VAL HA H 1 4.056 0.000 . . . . . . 93 V HA . 19114 1 586 . 1 1 101 101 VAL C C 13 175.722 0.000 . . . . . . 93 V CO . 19114 1 587 . 1 1 101 101 VAL CA C 13 61.970 0.000 . . . . . . 93 V CA . 19114 1 588 . 1 1 101 101 VAL CB C 13 32.464 0.000 . . . . . . 93 V CB . 19114 1 589 . 1 1 101 101 VAL N N 15 121.935 0.000 . . . . . . 93 V N . 19114 1 590 . 1 1 102 102 GLU H H 1 8.6020 0.000 . . . . . . 94 E H . 19114 1 591 . 1 1 102 102 GLU HA H 1 4.314 0.000 . . . . . . 94 E HA . 19114 1 592 . 1 1 102 102 GLU C C 13 175.996 0.000 . . . . . . 94 E CO . 19114 1 593 . 1 1 102 102 GLU CA C 13 55.831 0.000 . . . . . . 94 E CA . 19114 1 594 . 1 1 102 102 GLU CB C 13 29.926 0.000 . . . . . . 94 E CB . 19114 1 595 . 1 1 102 102 GLU CG C 13 35.772 0.000 . . . . . . 94 E CG . 19114 1 596 . 1 1 102 102 GLU N N 15 125.897 0.000 . . . . . . 94 E N . 19114 1 597 . 1 1 103 103 VAL H H 1 8.3830 0.000 . . . . . . 95 V H . 19114 1 598 . 1 1 103 103 VAL HA H 1 4.056 0.000 . . . . . . 95 V HA . 19114 1 599 . 1 1 103 103 VAL C C 13 175.428 0.000 . . . . . . 95 V CO . 19114 1 600 . 1 1 103 103 VAL CA C 13 61.878 0.000 . . . . . . 95 V CA . 19114 1 601 . 1 1 103 103 VAL CB C 13 32.082 0.000 . . . . . . 95 V CB . 19114 1 602 . 1 1 103 103 VAL N N 15 122.161 0.000 . . . . . . 95 V N . 19114 1 603 . 1 1 104 104 ASN H H 1 8.6560 0.000 . . . . . . 96 N H . 19114 1 604 . 1 1 104 104 ASN HA H 1 4.718 0.000 . . . . . . 96 N HA . 19114 1 605 . 1 1 104 104 ASN C C 13 174.463 0.000 . . . . . . 96 N CO . 19114 1 606 . 1 1 104 104 ASN CA C 13 52.613 0.000 . . . . . . 96 N CA . 19114 1 607 . 1 1 104 104 ASN CB C 13 38.683 0.000 . . . . . . 96 N CB . 19114 1 608 . 1 1 104 104 ASN N N 15 122.625 0.000 . . . . . . 96 N N . 19114 1 609 . 1 1 105 105 ASN H H 1 8.5470 0.000 . . . . . . 97 N H . 19114 1 610 . 1 1 105 105 ASN HA H 1 4.677 0.000 . . . . . . 97 N HA . 19114 1 611 . 1 1 105 105 ASN C C 13 175.145 0.000 . . . . . . 97 N CO . 19114 1 612 . 1 1 105 105 ASN CA C 13 52.900 0.000 . . . . . . 97 N CA . 19114 1 613 . 1 1 105 105 ASN CB C 13 38.329 0.000 . . . . . . 97 N CB . 19114 1 614 . 1 1 105 105 ASN N N 15 120.158 0.000 . . . . . . 97 N N . 19114 1 615 . 1 1 106 106 LEU H H 1 8.2680 0.000 . . . . . . 98 L H . 19114 1 616 . 1 1 106 106 LEU HA H 1 4.239 0.000 . . . . . . 98 L HA . 19114 1 617 . 1 1 106 106 LEU C C 13 177.007 0.000 . . . . . . 98 L CO . 19114 1 618 . 1 1 106 106 LEU CA C 13 55.220 0.000 . . . . . . 98 L CA . 19114 1 619 . 1 1 106 106 LEU CB C 13 41.575 0.000 . . . . . . 98 L CB . 19114 1 620 . 1 1 106 106 LEU CG C 13 26.650 0.000 . . . . . . 98 L CG . 19114 1 621 . 1 1 106 106 LEU N N 15 122.051 0.000 . . . . . . 98 L N . 19114 1 622 . 1 1 107 107 ASP H H 1 8.2920 0.000 . . . . . . 99 D H . 19114 1 623 . 1 1 107 107 ASP HA H 1 4.535 0.000 . . . . . . 99 D HA . 19114 1 624 . 1 1 107 107 ASP C C 13 175.631 0.000 . . . . . . 99 D CO . 19114 1 625 . 1 1 107 107 ASP CA C 13 54.220 0.000 . . . . . . 99 D CA . 19114 1 626 . 1 1 107 107 ASP CB C 13 40.602 0.000 . . . . . . 99 D CB . 19114 1 627 . 1 1 107 107 ASP N N 15 120.031 0.000 . . . . . . 99 D N . 19114 1 628 . 1 1 108 108 ASN H H 1 8.2680 0.000 . . . . . . 100 N H . 19114 1 629 . 1 1 108 108 ASN HA H 1 4.664 0.000 . . . . . . 100 N HA . 19114 1 630 . 1 1 108 108 ASN C C 13 175.127 0.000 . . . . . . 100 N CO . 19114 1 631 . 1 1 108 108 ASN CA C 13 53.020 0.000 . . . . . . 100 N CA . 19114 1 632 . 1 1 108 108 ASN CB C 13 38.379 0.000 . . . . . . 100 N CB . 19114 1 633 . 1 1 108 108 ASN N N 15 118.457 0.000 . . . . . . 100 N N . 19114 1 634 . 1 1 109 109 LEU H H 1 8.3680 0.000 . . . . . . 101 L H . 19114 1 635 . 1 1 109 109 LEU HA H 1 4.268 0.000 . . . . . . 101 L HA . 19114 1 636 . 1 1 109 109 LEU C C 13 177.096 0.000 . . . . . . 101 L CO . 19114 1 637 . 1 1 109 109 LEU CA C 13 55.260 0.000 . . . . . . 101 L CA . 19114 1 638 . 1 1 109 109 LEU CB C 13 41.656 0.000 . . . . . . 101 L CB . 19114 1 639 . 1 1 109 109 LEU CG C 13 26.616 0.000 . . . . . . 101 L CG . 19114 1 640 . 1 1 109 109 LEU N N 15 122.197 0.000 . . . . . . 101 L N . 19114 1 641 . 1 1 110 110 ASP H H 1 8.3530 0.000 . . . . . . 102 D H . 19114 1 642 . 1 1 110 110 ASP HA H 1 4.531 0.000 . . . . . . 102 D HA . 19114 1 643 . 1 1 110 110 ASP C C 13 175.596 0.000 . . . . . . 102 D CO . 19114 1 644 . 1 1 110 110 ASP CA C 13 53.840 0.000 . . . . . . 102 D CA . 19114 1 645 . 1 1 110 110 ASP CB C 13 40.594 0.000 . . . . . . 102 D CB . 19114 1 646 . 1 1 110 110 ASP N N 15 120.190 0.000 . . . . . . 102 D N . 19114 1 647 . 1 1 111 111 ASN H H 1 8.2890 0.000 . . . . . . 103 N H . 19114 1 648 . 1 1 111 111 ASN HA H 1 4.600 0.000 . . . . . . 103 N HA . 19114 1 649 . 1 1 111 111 ASN C C 13 175.315 0.000 . . . . . . 103 N CO . 19114 1 650 . 1 1 111 111 ASN CA C 13 52.960 0.000 . . . . . . 103 N CA . 19114 1 651 . 1 1 111 111 ASN CB C 13 38.253 0.000 . . . . . . 103 N CB . 19114 1 652 . 1 1 111 111 ASN N N 15 119.185 0.000 . . . . . . 103 N N . 19114 1 653 . 1 1 112 112 HIS H H 1 8.5600 0.000 . . . . . . 104 H H . 19114 1 654 . 1 1 112 112 HIS HA H 1 4.570 0.000 . . . . . . 104 H HA . 19114 1 655 . 1 1 112 112 HIS C C 13 174.196 0.000 . . . . . . 104 H CO . 19114 1 656 . 1 1 112 112 HIS CA C 13 55.830 0.000 . . . . . . 104 H CA . 19114 1 657 . 1 1 112 112 HIS CB C 13 28.266 0.000 . . . . . . 104 H CB . 19114 1 658 . 1 1 112 112 HIS N N 15 118.897 0.000 . . . . . . 104 H N . 19114 1 659 . 1 1 113 113 ASP H H 1 8.4640 0.000 . . . . . . 105 D H . 19114 1 660 . 1 1 113 113 ASP C C 13 175.854 0.000 . . . . . . 105 D CO . 19114 1 661 . 1 1 113 113 ASP CA C 13 54.150 0.000 . . . . . . 105 D CA . 19114 1 662 . 1 1 113 113 ASP CB C 13 40.555 0.000 . . . . . . 105 D CB . 19114 1 663 . 1 1 113 113 ASP N N 15 120.595 0.000 . . . . . . 105 D N . 19114 1 664 . 1 1 114 114 ARG H H 1 8.2880 0.000 . . . . . . 106 R H . 19114 1 665 . 1 1 114 114 ARG HA H 1 4.254 0.000 . . . . . . 106 R HA . 19114 1 666 . 1 1 114 114 ARG C C 13 176.055 0.000 . . . . . . 106 R CO . 19114 1 667 . 1 1 114 114 ARG CA C 13 55.838 0.000 . . . . . . 106 R CA . 19114 1 668 . 1 1 114 114 ARG CB C 13 30.218 0.000 . . . . . . 106 R CB . 19114 1 669 . 1 1 114 114 ARG CG C 13 26.801 0.000 . . . . . . 106 R CG . 19114 1 670 . 1 1 114 114 ARG CD C 13 42.933 0.000 . . . . . . 106 R CD . 19114 1 671 . 1 1 114 114 ARG N N 15 121.517 0.000 . . . . . . 106 R N . 19114 1 672 . 1 1 115 115 LYS H H 1 8.4280 0.000 . . . . . . 107 K H . 19114 1 673 . 1 1 115 115 LYS HA H 1 4.222 0.000 . . . . . . 107 K HA . 19114 1 674 . 1 1 115 115 LYS C C 13 176.136 0.000 . . . . . . 107 K CO . 19114 1 675 . 1 1 115 115 LYS CA C 13 56.058 0.000 . . . . . . 107 K CA . 19114 1 676 . 1 1 115 115 LYS CB C 13 32.538 0.000 . . . . . . 107 K CB . 19114 1 677 . 1 1 115 115 LYS CG C 13 24.503 0.000 . . . . . . 107 K CG . 19114 1 678 . 1 1 115 115 LYS CD C 13 28.669 0.000 . . . . . . 107 K CD . 19114 1 679 . 1 1 115 115 LYS CE C 13 41.657 0.000 . . . . . . 107 K CE . 19114 1 680 . 1 1 115 115 LYS N N 15 122.191 0.000 . . . . . . 107 K N . 19114 1 681 . 1 1 116 116 HIS H H 1 8.5290 0.000 . . . . . . 108 H H . 19114 1 682 . 1 1 116 116 HIS HA H 1 4.641 0.000 . . . . . . 108 H HA . 19114 1 683 . 1 1 116 116 HIS C C 13 173.633 0.000 . . . . . . 108 H CO . 19114 1 684 . 1 1 116 116 HIS CA C 13 54.870 0.000 . . . . . . 108 H CA . 19114 1 685 . 1 1 116 116 HIS CB C 13 29.067 0.000 . . . . . . 108 H CB . 19114 1 686 . 1 1 116 116 HIS N N 15 119.726 0.000 . . . . . . 108 H N . 19114 1 687 . 1 1 117 117 ALA H H 1 8.5390 0.000 . . . . . . 109 A H . 19114 1 688 . 1 1 117 117 ALA HA H 1 4.348 0.000 . . . . . . 109 A HA . 19114 1 689 . 1 1 117 117 ALA C C 13 177.289 0.000 . . . . . . 109 A CO . 19114 1 690 . 1 1 117 117 ALA CA C 13 51.850 0.000 . . . . . . 109 A CA . 19114 1 691 . 1 1 117 117 ALA CB C 13 19.237 0.000 . . . . . . 109 A CB . 19114 1 692 . 1 1 117 117 ALA N N 15 126.399 0.000 . . . . . . 109 A N . 19114 1 693 . 1 1 118 118 VAL H H 1 8.3910 0.000 . . . . . . 110 V H . 19114 1 694 . 1 1 118 118 VAL HA H 1 4.051 0.000 . . . . . . 110 V HA . 19114 1 695 . 1 1 118 118 VAL C C 13 176.569 0.000 . . . . . . 110 V CO . 19114 1 696 . 1 1 118 118 VAL CA C 13 62.450 0.000 . . . . . . 110 V CA . 19114 1 697 . 1 1 118 118 VAL CB C 13 32.351 0.000 . . . . . . 110 V CB . 19114 1 698 . 1 1 118 118 VAL N N 15 120.082 0.000 . . . . . . 110 V N . 19114 1 699 . 1 1 119 119 GLY H H 1 8.6320 0.000 . . . . . . 111 G H . 19114 1 700 . 1 1 119 119 GLY HA2 H 1 4.593 0.000 . . . . . . 111 G HA . 19114 1 701 . 1 1 119 119 GLY HA3 H 1 4.593 0.000 . . . . . . 111 G HA . 19114 1 702 . 1 1 119 119 GLY C C 13 173.840 0.000 . . . . . . 111 G CO . 19114 1 703 . 1 1 119 119 GLY CA C 13 44.829 0.000 . . . . . . 111 G CA . 19114 1 704 . 1 1 119 119 GLY N N 15 112.846 0.000 . . . . . . 111 G N . 19114 1 705 . 1 1 120 120 ASP H H 1 8.2880 0.000 . . . . . . 112 D H . 19114 1 706 . 1 1 120 120 ASP HA H 1 4.581 0.000 . . . . . . 112 D HA . 19114 1 707 . 1 1 120 120 ASP C C 13 175.902 0.000 . . . . . . 112 D CO . 19114 1 708 . 1 1 120 120 ASP CA C 13 54.075 0.000 . . . . . . 112 D CA . 19114 1 709 . 1 1 120 120 ASP CB C 13 40.705 0.000 . . . . . . 112 D CB . 19114 1 710 . 1 1 120 120 ASP N N 15 120.945 0.000 . . . . . . 112 D N . 19114 1 711 . 1 1 121 121 ASP H H 1 8.4010 0.000 . . . . . . 113 D H . 19114 1 712 . 1 1 121 121 ASP HA H 1 4.561 0.000 . . . . . . 113 D HA . 19114 1 713 . 1 1 121 121 ASP C C 13 175.922 0.000 . . . . . . 113 D CO . 19114 1 714 . 1 1 121 121 ASP CA C 13 54.069 0.000 . . . . . . 113 D CA . 19114 1 715 . 1 1 121 121 ASP CB C 13 40.552 0.000 . . . . . . 113 D CB . 19114 1 716 . 1 1 121 121 ASP N N 15 120.355 0.000 . . . . . . 113 D N . 19114 1 717 . 1 1 122 122 ALA H H 1 8.2080 0.000 . . . . . . 114 A H . 19114 1 718 . 1 1 122 122 ALA HA H 1 4.192 0.000 . . . . . . 114 A HA . 19114 1 719 . 1 1 122 122 ALA C C 13 177.454 0.000 . . . . . . 114 A CO . 19114 1 720 . 1 1 122 122 ALA CA C 13 52.540 0.000 . . . . . . 114 A CA . 19114 1 721 . 1 1 122 122 ALA CB C 13 18.727 0.000 . . . . . . 114 A CB . 19114 1 722 . 1 1 122 122 ALA N N 15 123.995 0.000 . . . . . . 114 A N . 19114 1 723 . 1 1 123 123 GLN H H 1 8.2660 0.000 . . . . . . 115 Q H . 19114 1 724 . 1 1 123 123 GLN HA H 1 4.194 0.000 . . . . . . 115 Q HA . 19114 1 725 . 1 1 123 123 GLN C C 13 175.378 0.000 . . . . . . 115 Q CO . 19114 1 726 . 1 1 123 123 GLN CA C 13 55.510 0.000 . . . . . . 115 Q CA . 19114 1 727 . 1 1 123 123 GLN CB C 13 28.985 0.000 . . . . . . 115 Q CB . 19114 1 728 . 1 1 123 123 GLN CG C 13 33.321 0.000 . . . . . . 115 Q CG . 19114 1 729 . 1 1 123 123 GLN N N 15 118.710 0.000 . . . . . . 115 Q N . 19114 1 730 . 1 1 124 124 PHE H H 1 8.1790 0.000 . . . . . . 116 F H . 19114 1 731 . 1 1 124 124 PHE HA H 1 4.612 0.000 . . . . . . 116 F HA . 19114 1 732 . 1 1 124 124 PHE C C 13 175.210 0.000 . . . . . . 116 F CO . 19114 1 733 . 1 1 124 124 PHE CA C 13 57.300 0.000 . . . . . . 116 F CA . 19114 1 734 . 1 1 124 124 PHE CB C 13 39.289 0.000 . . . . . . 116 F CB . 19114 1 735 . 1 1 124 124 PHE N N 15 120.797 0.000 . . . . . . 116 F N . 19114 1 736 . 1 1 125 125 GLU H H 1 8.3290 0.000 . . . . . . 117 E H . 19114 1 737 . 1 1 125 125 GLU HA H 1 4.222 0.000 . . . . . . 117 E HA . 19114 1 738 . 1 1 125 125 GLU C C 13 175.596 0.000 . . . . . . 117 E CO . 19114 1 739 . 1 1 125 125 GLU CA C 13 55.930 0.000 . . . . . . 117 E CA . 19114 1 740 . 1 1 125 125 GLU CB C 13 29.854 0.000 . . . . . . 117 E CB . 19114 1 741 . 1 1 125 125 GLU CG C 13 35.709 0.000 . . . . . . 117 E CG . 19114 1 742 . 1 1 125 125 GLU N N 15 122.297 0.000 . . . . . . 117 E N . 19114 1 743 . 1 1 126 126 MET H H 1 8.3670 0.000 . . . . . . 118 M H . 19114 1 744 . 1 1 126 126 MET HA H 1 4.442 0.000 . . . . . . 118 M HA . 19114 1 745 . 1 1 126 126 MET C C 13 175.443 0.000 . . . . . . 118 M CO . 19114 1 746 . 1 1 126 126 MET CA C 13 54.960 0.000 . . . . . . 118 M CA . 19114 1 747 . 1 1 126 126 MET CB C 13 33.024 0.000 . . . . . . 118 M CB . 19114 1 748 . 1 1 126 126 MET N N 15 121.136 0.000 . . . . . . 118 M N . 19114 1 749 . 1 1 127 127 ASP H H 1 8.5090 0.000 . . . . . . 119 D H . 19114 1 750 . 1 1 127 127 ASP HA H 1 4.633 0.000 . . . . . . 119 D HA . 19114 1 751 . 1 1 127 127 ASP C C 13 174.696 0.000 . . . . . . 119 D CO . 19114 1 752 . 1 1 127 127 ASP CA C 13 54.035 0.000 . . . . . . 119 D CA . 19114 1 753 . 1 1 127 127 ASP CB C 13 40.402 0.000 . . . . . . 119 D CB . 19114 1 754 . 1 1 127 127 ASP N N 15 122.397 0.000 . . . . . . 119 D N . 19114 1 755 . 1 1 128 128 ILE H H 1 7.6960 0.000 . . . . . . 120 I H . 19114 1 756 . 1 1 128 128 ILE HA H 1 4.058 0.000 . . . . . . 120 I HA . 19114 1 757 . 1 1 128 128 ILE C C 13 168.929 0.000 . . . . . . 120 I CO . 19114 1 758 . 1 1 128 128 ILE CA C 13 62.422 0.000 . . . . . . 120 I CA . 19114 1 759 . 1 1 128 128 ILE CB C 13 39.400 0.000 . . . . . . 120 I CB . 19114 1 760 . 1 1 128 128 ILE N N 15 124.797 0.000 . . . . . . 120 I N . 19114 1 stop_ save_