data_16229 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16229 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for ring1B C-terminal domain/ cbx7 CBOX complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-27 _Entry.Accession_date 2009-03-27 _Entry.Last_release_date 2010-12-09 _Entry.Original_release_date 2010-12-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Renjing Wang . . . 16229 2 'Chongwoo A.' Kim . . . 16229 3 Udayar Ilangovan . . . 16229 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16229 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 157 16229 '15N chemical shifts' 39 16229 '1H chemical shifts' 225 16229 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 . . 2010-12-09 2009-03-27 original author . 16229 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16229 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20696397 _Citation.Full_citation . _Citation.Title 'Polycomb group targeting through different binding partners of RING1B C-terminal domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 18 _Citation.Journal_issue 8 _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 966 _Citation.Page_last 975 _Citation.Year 2010 _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 Renjing Wang . . . 16229 1 2 Alexander Taylor . B. . 16229 1 3 Belinda Leal . Z. . 16229 1 4 Linda Chadwell . V. . 16229 1 5 Udayar Ilangovan . . . 16229 1 6 Angela Robinson . K. . 16229 1 7 Virgil Schirf . . . 16229 1 8 'P. John' Hart . . . 16229 1 9 Eileen Lafer . M. . 16229 1 10 Borries Demeler . . . 16229 1 11 Andrew Hinck . P. . 16229 1 12 Donald McEwen . G. . 16229 1 13 Chongwoo Kim . A. . 16229 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16229 _Assembly.ID 1 _Assembly.Name '1H, 13C, and 15N Chemical Shift Assignments for ring1B C terminal domain/ cbx7 CBOX complex' _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 . _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 'ring1b C-terminal domain' 1 $C-RING1B A . yes native yes no . . . 16229 1 2 'cbx7 CBOX' 2 $CBX7_Cbox B . yes native yes no . . . 16229 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-RING1B _Entity.Sf_category entity _Entity.Sf_framecode C-RING1B _Entity.Entry_ID 16229 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-RING1B _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 ; MEKTRGASEIELVFRPHPTL MEKDDSAQTRYIKTSGNATV DHLSKYLAVRLALEELRSKG ESNQMNLDTASEKQYTIYIA TASGQFTVLNGSFSLELVSE KYWKVNKPMELYYAPTKEHK SRD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-25 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 PDB 3GS2 . "Ring1b C-Terminal DomainCBX7 CBOX COMPLEX" . . . . . 90.24 111 99.10 100.00 4.23e-74 . . . . 16229 1 2 no PDB 3H8H . "Structure Of The C-Terminal Domain Of Human Rnf2RING1B" . . . . . 88.62 112 100.00 100.00 3.75e-73 . . . . 16229 1 3 no PDB 3IXS . "Ring1b C-Terminal DomainRYBP C-Terminal Domain Complex" . . . . . 90.24 111 99.10 100.00 4.23e-74 . . . . 16229 1 4 no DBJ BAB28186 . "unnamed protein product [Mus musculus]" . . . . . 93.50 336 100.00 100.00 2.49e-76 . . . . 16229 1 5 no DBJ BAB28663 . "unnamed protein product [Mus musculus]" . . . . . 93.50 336 100.00 100.00 2.49e-76 . . . . 16229 1 6 no DBJ BAC26898 . "unnamed protein product [Mus musculus]" . . . . . 93.50 336 100.00 100.00 2.49e-76 . . . . 16229 1 7 no DBJ BAC41075 . "unnamed protein product [Mus musculus]" . . . . . 93.50 336 97.39 100.00 2.04e-74 . . . . 16229 1 8 no DBJ BAE26638 . "unnamed protein product [Mus musculus]" . . . . . 93.50 336 100.00 100.00 2.49e-76 . . . . 16229 1 9 no EMBL CAA71596 . "dinG [Homo sapiens]" . . . . . 93.50 336 100.00 100.00 2.41e-76 . . . . 16229 1 10 no EMBL CAA73321 . "RING1B protein [Mus musculus]" . . . . . 93.50 202 100.00 100.00 3.05e-78 . . . . 16229 1 11 no EMBL CAA73380 . "polycomb-M33 interacting protein Ring1B [Mus musculus]" . . . . . 89.43 339 100.00 100.00 2.50e-72 . . . . 16229 1 12 no EMBL CAH91565 . "hypothetical protein [Pongo abelii]" . . . . . 93.50 336 100.00 100.00 2.52e-76 . . . . 16229 1 13 no EMBL CAJ18505 . "Rnf2 [Mus musculus]" . . . . . 93.50 336 100.00 100.00 2.49e-76 . . . . 16229 1 14 no GB AAD29717 . "ring finger protein BAP-1 [Homo sapiens]" . . . . . 93.50 336 100.00 100.00 2.41e-76 . . . . 16229 1 15 no GB AAH12583 . "Ring finger protein 2 [Homo sapiens]" . . . . . 93.50 336 100.00 100.00 2.41e-76 . . . . 16229 1 16 no GB AAH20122 . "Ring finger protein 2 [Mus musculus]" . . . . . 93.50 336 100.00 100.00 2.49e-76 . . . . 16229 1 17 no GB AAH98941 . "Ring finger protein 2 [Rattus norvegicus]" . . . . . 67.48 308 100.00 100.00 4.31e-50 . . . . 16229 1 18 no GB AAI48045 . "RNF2 protein [Bos taurus]" . . . . . 93.50 336 100.00 100.00 2.36e-76 . . . . 16229 1 19 no REF NP_001020838 . "E3 ubiquitin-protein ligase RING2 [Rattus norvegicus]" . . . . . 67.48 308 100.00 100.00 4.31e-50 . . . . 16229 1 20 no REF NP_001094673 . "E3 ubiquitin-protein ligase RING2 [Bos taurus]" . . . . . 93.50 336 100.00 100.00 2.36e-76 . . . . 16229 1 21 no REF NP_001127433 . "E3 ubiquitin-protein ligase RING2 [Pongo abelii]" . . . . . 93.50 336 100.00 100.00 2.52e-76 . . . . 16229 1 22 no REF NP_009143 . "E3 ubiquitin-protein ligase RING2 [Homo sapiens]" . . . . . 93.50 336 100.00 100.00 2.41e-76 . . . . 16229 1 23 no REF NP_035407 . "E3 ubiquitin-protein ligase RING2 [Mus musculus]" . . . . . 93.50 336 100.00 100.00 2.49e-76 . . . . 16229 1 24 no SP Q4KLY4 . "RecName: Full=E3 ubiquitin-protein ligase RING2; AltName: Full=RING finger protein 1B; Short=RING1b; AltName: Full=RING finger " . . . . . 67.48 308 100.00 100.00 4.31e-50 . . . . 16229 1 25 no SP Q5R9J5 . "RecName: Full=E3 ubiquitin-protein ligase RING2; AltName: Full=RING finger protein 1B; Short=RING1b; AltName: Full=RING finger " . . . . . 93.50 336 100.00 100.00 2.52e-76 . . . . 16229 1 26 no SP Q99496 . "RecName: Full=E3 ubiquitin-protein ligase RING2; AltName: Full=Huntingtin-interacting protein 2-interacting protein 3; Short=HI" . . . . . 93.50 336 100.00 100.00 2.41e-76 . . . . 16229 1 27 no SP Q9CQJ4 . "RecName: Full=E3 ubiquitin-protein ligase RING2; AltName: Full=RING finger protein 1B; Short=RING1b; AltName: Full=RING finger " . . . . . 93.50 336 100.00 100.00 2.49e-76 . . . . 16229 1 28 no TPG DAA20975 . "TPA: E3 ubiquitin-protein ligase RING2 [Bos taurus]" . . . . . 93.50 336 100.00 100.00 2.36e-76 . . . . 16229 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 . 16229 1 2 . GLU . 16229 1 3 . LYS . 16229 1 4 . THR . 16229 1 5 . ARG . 16229 1 6 . GLY . 16229 1 7 . ALA . 16229 1 8 . SER . 16229 1 9 . GLU . 16229 1 10 . ILE . 16229 1 11 . GLU . 16229 1 12 . LEU . 16229 1 13 . VAL . 16229 1 14 . PHE . 16229 1 15 . ARG . 16229 1 16 . PRO . 16229 1 17 . HIS . 16229 1 18 . PRO . 16229 1 19 . THR . 16229 1 20 . LEU . 16229 1 21 . MET . 16229 1 22 . GLU . 16229 1 23 . LYS . 16229 1 24 . ASP . 16229 1 25 . ASP . 16229 1 26 . SER . 16229 1 27 . ALA . 16229 1 28 . GLN . 16229 1 29 . THR . 16229 1 30 . ARG . 16229 1 31 . TYR . 16229 1 32 . ILE . 16229 1 33 . LYS . 16229 1 34 . THR . 16229 1 35 . SER . 16229 1 36 . GLY . 16229 1 37 . ASN . 16229 1 38 . ALA . 16229 1 39 . THR . 16229 1 40 . VAL . 16229 1 41 . ASP . 16229 1 42 . HIS . 16229 1 43 . LEU . 16229 1 44 . SER . 16229 1 45 . LYS . 16229 1 46 . TYR . 16229 1 47 . LEU . 16229 1 48 . ALA . 16229 1 49 . VAL . 16229 1 50 . ARG . 16229 1 51 . LEU . 16229 1 52 . ALA . 16229 1 53 . LEU . 16229 1 54 . GLU . 16229 1 55 . GLU . 16229 1 56 . LEU . 16229 1 57 . ARG . 16229 1 58 . SER . 16229 1 59 . LYS . 16229 1 60 . GLY . 16229 1 61 . GLU . 16229 1 62 . SER . 16229 1 63 . ASN . 16229 1 64 . GLN . 16229 1 65 . MET . 16229 1 66 . ASN . 16229 1 67 . LEU . 16229 1 68 . ASP . 16229 1 69 . THR . 16229 1 70 . ALA . 16229 1 71 . SER . 16229 1 72 . GLU . 16229 1 73 . LYS . 16229 1 74 . GLN . 16229 1 75 . TYR . 16229 1 76 . THR . 16229 1 77 . ILE . 16229 1 78 . TYR . 16229 1 79 . ILE . 16229 1 80 . ALA . 16229 1 81 . THR . 16229 1 82 . ALA . 16229 1 83 . SER . 16229 1 84 . GLY . 16229 1 85 . GLN . 16229 1 86 . PHE . 16229 1 87 . THR . 16229 1 88 . VAL . 16229 1 89 . LEU . 16229 1 90 . ASN . 16229 1 91 . GLY . 16229 1 92 . SER . 16229 1 93 . PHE . 16229 1 94 . SER . 16229 1 95 . LEU . 16229 1 96 . GLU . 16229 1 97 . LEU . 16229 1 98 . VAL . 16229 1 99 . SER . 16229 1 100 . GLU . 16229 1 101 . LYS . 16229 1 102 . TYR . 16229 1 103 . TRP . 16229 1 104 . LYS . 16229 1 105 . VAL . 16229 1 106 . ASN . 16229 1 107 . LYS . 16229 1 108 . PRO . 16229 1 109 . MET . 16229 1 110 . GLU . 16229 1 111 . LEU . 16229 1 112 . TYR . 16229 1 113 . TYR . 16229 1 114 . ALA . 16229 1 115 . PRO . 16229 1 116 . THR . 16229 1 117 . LYS . 16229 1 118 . GLU . 16229 1 119 . HIS . 16229 1 120 . LYS . 16229 1 121 . SER . 16229 1 122 . ARG . 16229 1 123 . ASP . 16229 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 16229 1 . GLU 2 2 16229 1 . LYS 3 3 16229 1 . THR 4 4 16229 1 . ARG 5 5 16229 1 . GLY 6 6 16229 1 . ALA 7 7 16229 1 . SER 8 8 16229 1 . GLU 9 9 16229 1 . ILE 10 10 16229 1 . GLU 11 11 16229 1 . LEU 12 12 16229 1 . VAL 13 13 16229 1 . PHE 14 14 16229 1 . ARG 15 15 16229 1 . PRO 16 16 16229 1 . HIS 17 17 16229 1 . PRO 18 18 16229 1 . THR 19 19 16229 1 . LEU 20 20 16229 1 . MET 21 21 16229 1 . GLU 22 22 16229 1 . LYS 23 23 16229 1 . ASP 24 24 16229 1 . ASP 25 25 16229 1 . SER 26 26 16229 1 . ALA 27 27 16229 1 . GLN 28 28 16229 1 . THR 29 29 16229 1 . ARG 30 30 16229 1 . TYR 31 31 16229 1 . ILE 32 32 16229 1 . LYS 33 33 16229 1 . THR 34 34 16229 1 . SER 35 35 16229 1 . GLY 36 36 16229 1 . ASN 37 37 16229 1 . ALA 38 38 16229 1 . THR 39 39 16229 1 . VAL 40 40 16229 1 . ASP 41 41 16229 1 . HIS 42 42 16229 1 . LEU 43 43 16229 1 . SER 44 44 16229 1 . LYS 45 45 16229 1 . TYR 46 46 16229 1 . LEU 47 47 16229 1 . ALA 48 48 16229 1 . VAL 49 49 16229 1 . ARG 50 50 16229 1 . LEU 51 51 16229 1 . ALA 52 52 16229 1 . LEU 53 53 16229 1 . GLU 54 54 16229 1 . GLU 55 55 16229 1 . LEU 56 56 16229 1 . ARG 57 57 16229 1 . SER 58 58 16229 1 . LYS 59 59 16229 1 . GLY 60 60 16229 1 . GLU 61 61 16229 1 . SER 62 62 16229 1 . ASN 63 63 16229 1 . GLN 64 64 16229 1 . MET 65 65 16229 1 . ASN 66 66 16229 1 . LEU 67 67 16229 1 . ASP 68 68 16229 1 . THR 69 69 16229 1 . ALA 70 70 16229 1 . SER 71 71 16229 1 . GLU 72 72 16229 1 . LYS 73 73 16229 1 . GLN 74 74 16229 1 . TYR 75 75 16229 1 . THR 76 76 16229 1 . ILE 77 77 16229 1 . TYR 78 78 16229 1 . ILE 79 79 16229 1 . ALA 80 80 16229 1 . THR 81 81 16229 1 . ALA 82 82 16229 1 . SER 83 83 16229 1 . GLY 84 84 16229 1 . GLN 85 85 16229 1 . PHE 86 86 16229 1 . THR 87 87 16229 1 . VAL 88 88 16229 1 . LEU 89 89 16229 1 . ASN 90 90 16229 1 . GLY 91 91 16229 1 . SER 92 92 16229 1 . PHE 93 93 16229 1 . SER 94 94 16229 1 . LEU 95 95 16229 1 . GLU 96 96 16229 1 . LEU 97 97 16229 1 . VAL 98 98 16229 1 . SER 99 99 16229 1 . GLU 100 100 16229 1 . LYS 101 101 16229 1 . TYR 102 102 16229 1 . TRP 103 103 16229 1 . LYS 104 104 16229 1 . VAL 105 105 16229 1 . ASN 106 106 16229 1 . LYS 107 107 16229 1 . PRO 108 108 16229 1 . MET 109 109 16229 1 . GLU 110 110 16229 1 . LEU 111 111 16229 1 . TYR 112 112 16229 1 . TYR 113 113 16229 1 . ALA 114 114 16229 1 . PRO 115 115 16229 1 . THR 116 116 16229 1 . LYS 117 117 16229 1 . GLU 118 118 16229 1 . HIS 119 119 16229 1 . LYS 120 120 16229 1 . SER 121 121 16229 1 . ARG 122 122 16229 1 . ASP 123 123 16229 1 stop_ save_ save_CBX7_Cbox _Entity.Sf_category entity _Entity.Sf_framecode CBX7_Cbox _Entity.Entry_ID 16229 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CBX7_Cbox _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 ; MEKTRESWTPALPSSEVTVT DITANSITVTFREAQAAEGF FRDRSGKFSRHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-01-30 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 PDB 3GS2 . "Ring1b C-Terminal DomainCBX7 CBOX COMPLEX" . . . . . 53.57 30 100.00 100.00 9.15e-11 . . . . 16229 2 2 no DBJ BAI46775 . "chromobox homolog 7 [synthetic construct]" . . . . . 73.21 251 100.00 100.00 2.36e-17 . . . . 16229 2 3 no GB AAH51773 . "Chromobox homolog 7 [Homo sapiens]" . . . . . 73.21 251 97.56 97.56 1.06e-16 . . . . 16229 2 4 no GB AAY68391 . "chromobox-like 7 [Homo sapiens]" . . . . . 62.50 158 100.00 100.00 4.13e-14 . . . . 16229 2 5 no GB ABZ92314 . "chromobox homolog 7 [synthetic construct]" . . . . . 73.21 251 97.56 97.56 1.06e-16 . . . . 16229 2 6 no GB AIC56058 . "CBX7, partial [synthetic construct]" . . . . . 73.21 251 97.56 97.56 1.06e-16 . . . . 16229 2 7 no GB EAW60298 . "chromobox homolog 7, isoform CRA_b [Homo sapiens]" . . . . . 73.21 251 100.00 100.00 2.36e-17 . . . . 16229 2 8 no REF NP_001179547 . "chromobox protein homolog 7 [Bos taurus]" . . . . . 75.00 251 97.62 97.62 4.68e-19 . . . . 16229 2 9 no REF NP_001247702 . "chromobox protein homolog 7 [Macaca mulatta]" . . . . . 73.21 251 100.00 100.00 2.36e-17 . . . . 16229 2 10 no REF NP_783640 . "chromobox protein homolog 7 [Homo sapiens]" . . . . . 73.21 251 100.00 100.00 2.36e-17 . . . . 16229 2 11 no REF XP_002743799 . "PREDICTED: chromobox protein homolog 7 [Callithrix jacchus]" . . . . . 60.71 259 100.00 100.00 8.39e-12 . . . . 16229 2 12 no REF XP_002914600 . "PREDICTED: LOW QUALITY PROTEIN: chromobox protein homolog 7-like [Ailuropoda melanoleuca]" . . . . . 60.71 252 97.06 100.00 1.17e-11 . . . . 16229 2 13 no SP O95931 . "RecName: Full=Chromobox protein homolog 7 [Homo sapiens]" . . . . . 73.21 251 100.00 100.00 2.36e-17 . . . . 16229 2 14 no TPG DAA29144 . "TPA: chromobox homolog 7 [Bos taurus]" . . . . . 75.00 251 97.62 97.62 4.68e-19 . . . . 16229 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 204 MET . 16229 2 2 205 GLU . 16229 2 3 206 LYS . 16229 2 4 207 THR . 16229 2 5 208 ARG . 16229 2 6 209 GLU . 16229 2 7 210 SER . 16229 2 8 211 TRP . 16229 2 9 212 THR . 16229 2 10 213 PRO . 16229 2 11 214 ALA . 16229 2 12 215 LEU . 16229 2 13 216 PRO . 16229 2 14 217 SER . 16229 2 15 218 SER . 16229 2 16 219 GLU . 16229 2 17 220 VAL . 16229 2 18 221 THR . 16229 2 19 222 VAL . 16229 2 20 223 THR . 16229 2 21 224 ASP . 16229 2 22 225 ILE . 16229 2 23 226 THR . 16229 2 24 227 ALA . 16229 2 25 228 ASN . 16229 2 26 229 SER . 16229 2 27 230 ILE . 16229 2 28 231 THR . 16229 2 29 232 VAL . 16229 2 30 233 THR . 16229 2 31 234 PHE . 16229 2 32 235 ARG . 16229 2 33 236 GLU . 16229 2 34 237 ALA . 16229 2 35 238 GLN . 16229 2 36 239 ALA . 16229 2 37 240 ALA . 16229 2 38 241 GLU . 16229 2 39 242 GLY . 16229 2 40 243 PHE . 16229 2 41 244 PHE . 16229 2 42 245 ARG . 16229 2 43 246 ASP . 16229 2 44 247 ARG . 16229 2 45 248 SER . 16229 2 46 249 GLY . 16229 2 47 250 LYS . 16229 2 48 251 PHE . 16229 2 49 252 SER . 16229 2 50 253 ARG . 16229 2 51 254 HIS . 16229 2 52 255 HIS . 16229 2 53 256 HIS . 16229 2 54 257 HIS . 16229 2 55 258 HIS . 16229 2 56 259 HIS . 16229 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16229 2 . GLU 2 2 16229 2 . LYS 3 3 16229 2 . THR 4 4 16229 2 . ARG 5 5 16229 2 . GLU 6 6 16229 2 . SER 7 7 16229 2 . TRP 8 8 16229 2 . THR 9 9 16229 2 . PRO 10 10 16229 2 . ALA 11 11 16229 2 . LEU 12 12 16229 2 . PRO 13 13 16229 2 . SER 14 14 16229 2 . SER 15 15 16229 2 . GLU 16 16 16229 2 . VAL 17 17 16229 2 . THR 18 18 16229 2 . VAL 19 19 16229 2 . THR 20 20 16229 2 . ASP 21 21 16229 2 . ILE 22 22 16229 2 . THR 23 23 16229 2 . ALA 24 24 16229 2 . ASN 25 25 16229 2 . SER 26 26 16229 2 . ILE 27 27 16229 2 . THR 28 28 16229 2 . VAL 29 29 16229 2 . THR 30 30 16229 2 . PHE 31 31 16229 2 . ARG 32 32 16229 2 . GLU 33 33 16229 2 . ALA 34 34 16229 2 . GLN 35 35 16229 2 . ALA 36 36 16229 2 . ALA 37 37 16229 2 . GLU 38 38 16229 2 . GLY 39 39 16229 2 . PHE 40 40 16229 2 . PHE 41 41 16229 2 . ARG 42 42 16229 2 . ASP 43 43 16229 2 . ARG 44 44 16229 2 . SER 45 45 16229 2 . GLY 46 46 16229 2 . LYS 47 47 16229 2 . PHE 48 48 16229 2 . SER 49 49 16229 2 . ARG 50 50 16229 2 . HIS 51 51 16229 2 . HIS 52 52 16229 2 . HIS 53 53 16229 2 . HIS 54 54 16229 2 . HIS 55 55 16229 2 . HIS 56 56 16229 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16229 _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 $C-RING1B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16229 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 16229 _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 2 $CBX7_Cbox 2 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET3c and pET30a' . . . . . . 16229 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 16229 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 C-RING1B '[U-99% 15N]' . . 1 $C-RING1B . . 1.0 . . mM . . . . 16229 1 2 'CBX7 Cbox Complex' '[U-99% 15N]' . . 2 $CBX7_Cbox . . 1.0 . . mM . . . . 16229 1 3 H20 'Natural Abundance' . . . . . . 95 . . % . . . . 16229 1 4 D20 'Natural Abundance' . . . . . . 5 . . % . . . . 16229 1 stop_ save_ save_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C _Sample.Entry_ID 16229 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 C-RING1B '[U-99% 13C; U-99% 15N]' . . 1 $C-RING1B . . 1.0 . . mM . . . . 16229 2 2 'CBX7 Cbox Complex' '[U-99% 13C; U-99% 15N]' . . 2 $CBX7_Cbox . . 1.0 . . mM . . . . 16229 2 3 H20 'Natural Abundance' . . . . . . 95 . . % . . . . 16229 2 4 D20 'Natural Abundance' . . . . . . 5 . . % . . . . 16229 2 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 16229 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 16229 1 temperature 310 . K 16229 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16229 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16229 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16229 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16229 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16229 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16229 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16229 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16229 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16229 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16229 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16229 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16229 4 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 16229 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16229 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16229 _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 Bruker Avance . 700 . . . 16229 1 2 spectrometer_2 Bruker DRX . 600 . . . 16229 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 16229 _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 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16229 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16229 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16229 1 4 '3D C(CO)NH' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16229 1 5 '3D HNCA' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16229 1 6 '3D HNCACB' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16229 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16229 1 8 '3D HNCO' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16229 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 16229 _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 protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16229 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16229 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16229 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 16229 _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' . . . 16229 1 2 '2D 1H-13C HSQC' . . . 16229 1 3 '3D CBCA(CO)NH' . . . 16229 1 4 '3D C(CO)NH' . . . 16229 1 6 '3D HNCACB' . . . 16229 1 7 '3D HCCH-TOCSY' . . . 16229 1 8 '3D HNCO' . . . 16229 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 . 2 2 8 8 TRP H H 1 8.065 . . 1 . . . . 211 TRP HN . 16229 1 2 . 2 2 8 8 TRP HA H 1 4.676 . . 1 . . . . 211 TRP HA . 16229 1 3 . 2 2 8 8 TRP HB2 H 1 3.239 . . . . . . . 211 TRP HB1 . 16229 1 4 . 2 2 8 8 TRP HB3 H 1 3.239 . . 2 . . . . 211 TRP HB2 . 16229 1 5 . 2 2 8 8 TRP C C 13 175.556 . . 1 . . . . 211 TRP C . 16229 1 6 . 2 2 8 8 TRP CA C 13 57.602 . . 1 . . . . 211 TRP CA . 16229 1 7 . 2 2 8 8 TRP CB C 13 29.826 . . 1 . . . . 211 TRP CB . 16229 1 8 . 2 2 8 8 TRP N N 15 123.155 . . 1 . . . . 211 TRP N . 16229 1 9 . 2 2 9 9 THR H H 1 7.689 . . 1 . . . . 212 THR HN . 16229 1 10 . 2 2 9 9 THR HA H 1 3.968 . . 1 . . . . 212 THR HA . 16229 1 11 . 2 2 9 9 THR HB H 1 4.413 . . 1 . . . . 212 THR HB . 16229 1 12 . 2 2 9 9 THR CA C 13 59.249 . . 1 . . . . 212 THR CA . 16229 1 13 . 2 2 9 9 THR CB C 13 70.125 . . 1 . . . . 212 THR CB . 16229 1 14 . 2 2 9 9 THR N N 15 119.099 . . 1 . . . . 212 THR N . 16229 1 15 . 2 2 10 10 PRO HA H 1 4.168 . . 1 . . . . 213 PRO HA . 16229 1 16 . 2 2 10 10 PRO HD2 H 1 3.445 . . . . . . . 213 PRO HD1 . 16229 1 17 . 2 2 10 10 PRO HD3 H 1 3.541 . . 2 . . . . 213 PRO HD2 . 16229 1 18 . 2 2 10 10 PRO C C 13 176.198 . . 1 . . . . 213 PRO C . 16229 1 19 . 2 2 10 10 PRO CA C 13 63.038 . . 1 . . . . 213 PRO CA . 16229 1 20 . 2 2 10 10 PRO CB C 13 31.999 . . 1 . . . . 213 PRO CB . 16229 1 21 . 2 2 10 10 PRO CD C 13 50.823 . . 1 . . . . 213 PRO CD . 16229 1 22 . 2 2 10 10 PRO CG C 13 27.186 . . 1 . . . . 213 PRO CG . 16229 1 23 . 2 2 11 11 ALA H H 1 8.091 . . 1 . . . . 214 ALA HN . 16229 1 24 . 2 2 11 11 ALA HA H 1 4.262 . . 1 . . . . 214 ALA HA . 16229 1 25 . 2 2 11 11 ALA HB1 H 1 1.309 . . 1 . . . . 214 ALA HB1 . 16229 1 26 . 2 2 11 11 ALA HB2 H 1 1.309 . . 1 . . . . 214 ALA HB2 . 16229 1 27 . 2 2 11 11 ALA HB3 H 1 1.309 . . 1 . . . . 214 ALA HB3 . 16229 1 28 . 2 2 11 11 ALA C C 13 177.285 . . 1 . . . . 214 ALA C . 16229 1 29 . 2 2 11 11 ALA CA C 13 53.118 . . 1 . . . . 214 ALA CA . 16229 1 30 . 2 2 11 11 ALA CB C 13 19.221 . . 1 . . . . 214 ALA CB . 16229 1 31 . 2 2 11 11 ALA N N 15 123.845 . . 1 . . . . 214 ALA N . 16229 1 32 . 2 2 12 12 LEU H H 1 8.042 . . 1 . . . . 215 LEU HN . 16229 1 33 . 2 2 12 12 LEU HA H 1 4.574 . . 1 . . . . 215 LEU HA . 16229 1 34 . 2 2 12 12 LEU HB2 H 1 1.519 . . . . . . . 215 LEU HB1 . 16229 1 35 . 2 2 12 12 LEU HB3 H 1 1.519 . . 2 . . . . 215 LEU HB2 . 16229 1 36 . 2 2 12 12 LEU HD11 H 1 0.911 . . 2 . . . . 215 LEU HD11 . 16229 1 37 . 2 2 12 12 LEU HD12 H 1 0.911 . . 2 . . . . 215 LEU HD12 . 16229 1 38 . 2 2 12 12 LEU HD13 H 1 0.911 . . 2 . . . . 215 LEU HD13 . 16229 1 39 . 2 2 12 12 LEU HD21 H 1 0.857 . . 2 . . . . 215 LEU HD21 . 16229 1 40 . 2 2 12 12 LEU HD22 H 1 0.857 . . 2 . . . . 215 LEU HD22 . 16229 1 41 . 2 2 12 12 LEU HD23 H 1 0.857 . . 2 . . . . 215 LEU HD23 . 16229 1 42 . 2 2 12 12 LEU HG H 1 1.596 . . 1 . . . . 215 LEU HG . 16229 1 43 . 2 2 12 12 LEU C C 13 175.298 . . 1 . . . . 215 LEU C . 16229 1 44 . 2 2 12 12 LEU CA C 13 52.863 . . 1 . . . . 215 LEU CA . 16229 1 45 . 2 2 12 12 LEU CB C 13 42.022 . . 1 . . . . 215 LEU CB . 16229 1 46 . 2 2 12 12 LEU CD1 C 13 24.519 . . 2 . . . . 215 LEU CD1 . 16229 1 47 . 2 2 12 12 LEU CD2 C 13 23.771 . . 2 . . . . 215 LEU CD2 . 16229 1 48 . 2 2 12 12 LEU CG C 13 28.343 . . 1 . . . . 215 LEU CG . 16229 1 49 . 2 2 12 12 LEU N N 15 122.679 . . 1 . . . . 215 LEU N . 16229 1 50 . 2 2 13 13 PRO HA H 1 4.430 . . 1 . . . . 216 PRO HA . 16229 1 51 . 2 2 13 13 PRO HD2 H 1 3.593 . . . . . . . 216 PRO HD1 . 16229 1 52 . 2 2 13 13 PRO HD3 H 1 3.814 . . 2 . . . . 216 PRO HD2 . 16229 1 53 . 2 2 13 13 PRO C C 13 177.038 . . 1 . . . . 216 PRO C . 16229 1 54 . 2 2 13 13 PRO CA C 13 63.183 . . 1 . . . . 216 PRO CA . 16229 1 55 . 2 2 13 13 PRO CB C 13 32.041 . . 1 . . . . 216 PRO CB . 16229 1 56 . 2 2 13 13 PRO CD C 13 50.599 . . 1 . . . . 216 PRO CD . 16229 1 57 . 2 2 13 13 PRO CG C 13 27.649 . . 1 . . . . 216 PRO CG . 16229 1 58 . 2 2 14 14 SER H H 1 8.290 . . 1 . . . . 217 SER HN . 16229 1 59 . 2 2 14 14 SER HA H 1 4.378 . . 1 . . . . 217 SER HA . 16229 1 60 . 2 2 14 14 SER HB2 H 1 3.890 . . . . . . . 217 SER HB1 . 16229 1 61 . 2 2 14 14 SER HB3 H 1 3.890 . . 2 . . . . 217 SER HB2 . 16229 1 62 . 2 2 14 14 SER C C 13 174.858 . . 1 . . . . 217 SER C . 16229 1 63 . 2 2 14 14 SER CA C 13 58.647 . . 1 . . . . 217 SER CA . 16229 1 64 . 2 2 14 14 SER CB C 13 63.930 . . 1 . . . . 217 SER CB . 16229 1 65 . 2 2 14 14 SER N N 15 115.813 . . 1 . . . . 217 SER N . 16229 1 66 . 2 2 15 15 SER H H 1 8.183 . . 1 . . . . 218 SER HN . 16229 1 67 . 2 2 15 15 SER HA H 1 4.445 . . 1 . . . . 218 SER HA . 16229 1 68 . 2 2 15 15 SER HB2 H 1 3.850 . . . . . . . 218 SER HB1 . 16229 1 69 . 2 2 15 15 SER HB3 H 1 3.862 . . 2 . . . . 218 SER HB2 . 16229 1 70 . 2 2 15 15 SER C C 13 174.346 . . 1 . . . . 218 SER C . 16229 1 71 . 2 2 15 15 SER CA C 13 58.421 . . 1 . . . . 218 SER CA . 16229 1 72 . 2 2 15 15 SER CB C 13 63.887 . . 1 . . . . 218 SER CB . 16229 1 73 . 2 2 15 15 SER N N 15 117.085 . . 1 . . . . 218 SER N . 16229 1 74 . 2 2 16 16 GLU H H 1 8.208 . . 1 . . . . 219 GLU HN . 16229 1 75 . 2 2 16 16 GLU HA H 1 4.294 . . 1 . . . . 219 GLU HA . 16229 1 76 . 2 2 16 16 GLU HB2 H 1 1.907 . . . . . . . 219 GLU HB1 . 16229 1 77 . 2 2 16 16 GLU HB3 H 1 2.040 . . 2 . . . . 219 GLU HB2 . 16229 1 78 . 2 2 16 16 GLU C C 13 175.915 . . 1 . . . . 219 GLU C . 16229 1 79 . 2 2 16 16 GLU CA C 13 56.809 . . 1 . . . . 219 GLU CA . 16229 1 80 . 2 2 16 16 GLU CB C 13 30.310 . . 1 . . . . 219 GLU CB . 16229 1 81 . 2 2 16 16 GLU CG C 13 36.354 . . 1 . . . . 219 GLU CG . 16229 1 82 . 2 2 16 16 GLU N N 15 122.599 . . 1 . . . . 219 GLU N . 16229 1 83 . 2 2 17 17 VAL H H 1 8.101 . . 1 . . . . 220 VAL HN . 16229 1 84 . 2 2 17 17 VAL HA H 1 4.351 . . 1 . . . . 220 VAL HA . 16229 1 85 . 2 2 17 17 VAL HB H 1 1.965 . . 1 . . . . 220 VAL HB . 16229 1 86 . 2 2 17 17 VAL HG11 H 1 1.378 . . 2 . . . . 220 VAL HG11 . 16229 1 87 . 2 2 17 17 VAL HG12 H 1 1.378 . . 2 . . . . 220 VAL HG12 . 16229 1 88 . 2 2 17 17 VAL HG13 H 1 1.378 . . 2 . . . . 220 VAL HG13 . 16229 1 89 . 2 2 17 17 VAL HG21 H 1 1.378 . . 2 . . . . 220 VAL HG21 . 16229 1 90 . 2 2 17 17 VAL HG22 H 1 1.378 . . 2 . . . . 220 VAL HG22 . 16229 1 91 . 2 2 17 17 VAL HG23 H 1 1.378 . . 2 . . . . 220 VAL HG23 . 16229 1 92 . 2 2 17 17 VAL C C 13 176.319 . . 1 . . . . 220 VAL C . 16229 1 93 . 2 2 17 17 VAL CA C 13 59.895 . . 1 . . . . 220 VAL CA . 16229 1 94 . 2 2 17 17 VAL CB C 13 34.131 . . 1 . . . . 220 VAL CB . 16229 1 95 . 2 2 17 17 VAL CG1 C 13 22.174 . . 2 . . . . 220 VAL CG1 . 16229 1 96 . 2 2 17 17 VAL CG2 C 13 22.174 . . 2 . . . . 220 VAL CG2 . 16229 1 97 . 2 2 17 17 VAL N N 15 123.484 . . 1 . . . . 220 VAL N . 16229 1 98 . 2 2 18 18 THR H H 1 8.962 . . 1 . . . . 221 THR HN . 16229 1 99 . 2 2 18 18 THR HA H 1 4.503 . . 1 . . . . 221 THR HA . 16229 1 100 . 2 2 18 18 THR HB H 1 3.968 . . 1 . . . . 221 THR HB . 16229 1 101 . 2 2 18 18 THR HG21 H 1 0.934 . . 1 . . . . 221 THR HG21 . 16229 1 102 . 2 2 18 18 THR HG22 H 1 0.934 . . 1 . . . . 221 THR HG22 . 16229 1 103 . 2 2 18 18 THR HG23 H 1 0.934 . . 1 . . . . 221 THR HG23 . 16229 1 104 . 2 2 18 18 THR C C 13 174.313 . . 1 . . . . 221 THR C . 16229 1 105 . 2 2 18 18 THR CA C 13 62.117 . . 1 . . . . 221 THR CA . 16229 1 106 . 2 2 18 18 THR CB C 13 70.371 . . 1 . . . . 221 THR CB . 16229 1 107 . 2 2 18 18 THR CG2 C 13 21.437 . . 1 . . . . 221 THR CG2 . 16229 1 108 . 2 2 18 18 THR N N 15 123.479 . . 1 . . . . 221 THR N . 16229 1 109 . 2 2 19 19 VAL H H 1 8.878 . . 1 . . . . 222 VAL HN . 16229 1 110 . 2 2 19 19 VAL HA H 1 4.996 . . 1 . . . . 222 VAL HA . 16229 1 111 . 2 2 19 19 VAL HB H 1 2.001 . . 1 . . . . 222 VAL HB . 16229 1 112 . 2 2 19 19 VAL HG11 H 1 0.949 . . 2 . . . . 222 VAL HG11 . 16229 1 113 . 2 2 19 19 VAL HG12 H 1 0.949 . . 2 . . . . 222 VAL HG12 . 16229 1 114 . 2 2 19 19 VAL HG13 H 1 0.949 . . 2 . . . . 222 VAL HG13 . 16229 1 115 . 2 2 19 19 VAL HG21 H 1 0.911 . . 2 . . . . 222 VAL HG21 . 16229 1 116 . 2 2 19 19 VAL HG22 H 1 0.911 . . 2 . . . . 222 VAL HG22 . 16229 1 117 . 2 2 19 19 VAL HG23 H 1 0.911 . . 2 . . . . 222 VAL HG23 . 16229 1 118 . 2 2 19 19 VAL C C 13 175.732 . . 1 . . . . 222 VAL C . 16229 1 119 . 2 2 19 19 VAL CA C 13 61.996 . . 1 . . . . 222 VAL CA . 16229 1 120 . 2 2 19 19 VAL CB C 13 33.772 . . 1 . . . . 222 VAL CB . 16229 1 121 . 2 2 19 19 VAL CG1 C 13 21.929 . . 2 . . . . 222 VAL CG1 . 16229 1 122 . 2 2 19 19 VAL CG2 C 13 21.929 . . 2 . . . . 222 VAL CG2 . 16229 1 123 . 2 2 19 19 VAL N N 15 129.304 . . 1 . . . . 222 VAL N . 16229 1 124 . 2 2 20 20 THR H H 1 9.012 . . 1 . . . . 223 THR HN . 16229 1 125 . 2 2 20 20 THR HA H 1 4.633 . . 1 . . . . 223 THR HA . 16229 1 126 . 2 2 20 20 THR HB H 1 4.107 . . 1 . . . . 223 THR HB . 16229 1 127 . 2 2 20 20 THR HG21 H 1 1.297 . . 1 . . . . 223 THR HG21 . 16229 1 128 . 2 2 20 20 THR HG22 H 1 1.297 . . 1 . . . . 223 THR HG22 . 16229 1 129 . 2 2 20 20 THR HG23 H 1 1.297 . . 1 . . . . 223 THR HG23 . 16229 1 130 . 2 2 20 20 THR C C 13 172.854 . . 1 . . . . 223 THR C . 16229 1 131 . 2 2 20 20 THR CA C 13 62.484 . . 1 . . . . 223 THR CA . 16229 1 132 . 2 2 20 20 THR CB C 13 72.344 . . 1 . . . . 223 THR CB . 16229 1 133 . 2 2 20 20 THR CG2 C 13 21.191 . . 1 . . . . 223 THR CG2 . 16229 1 134 . 2 2 20 20 THR N N 15 123.512 . . 1 . . . . 223 THR N . 16229 1 135 . 2 2 21 21 ASP H H 1 8.979 . . 1 . . . . 224 ASP HN . 16229 1 136 . 2 2 21 21 ASP HA H 1 5.661 . . 1 . . . . 224 ASP HA . 16229 1 137 . 2 2 21 21 ASP HB2 H 1 2.293 . . . . . . . 224 ASP HB1 . 16229 1 138 . 2 2 21 21 ASP HB3 H 1 2.584 . . 2 . . . . 224 ASP HB2 . 16229 1 139 . 2 2 21 21 ASP C C 13 175.691 . . 1 . . . . 224 ASP C . 16229 1 140 . 2 2 21 21 ASP CA C 13 53.733 . . 1 . . . . 224 ASP CA . 16229 1 141 . 2 2 21 21 ASP CB C 13 41.281 . . 1 . . . . 224 ASP CB . 16229 1 142 . 2 2 21 21 ASP N N 15 129.506 . . 1 . . . . 224 ASP N . 16229 1 143 . 2 2 22 22 ILE H H 1 9.224 . . 1 . . . . 225 ILE HN . 16229 1 144 . 2 2 22 22 ILE HA H 1 4.672 . . 1 . . . . 225 ILE HA . 16229 1 145 . 2 2 22 22 ILE HB H 1 2.294 . . 1 . . . . 225 ILE HB . 16229 1 146 . 2 2 22 22 ILE HD11 H 1 0.924 . . 1 . . . . 225 ILE HD11 . 16229 1 147 . 2 2 22 22 ILE HD12 H 1 0.924 . . 1 . . . . 225 ILE HD12 . 16229 1 148 . 2 2 22 22 ILE HD13 H 1 0.924 . . 1 . . . . 225 ILE HD13 . 16229 1 149 . 2 2 22 22 ILE HG12 H 1 1.450 . . . . . . . 225 ILE HG11 . 16229 1 150 . 2 2 22 22 ILE HG13 H 1 1.450 . . 2 . . . . 225 ILE HG12 . 16229 1 151 . 2 2 22 22 ILE HG21 H 1 1.140 . . 1 . . . . 225 ILE HG21 . 16229 1 152 . 2 2 22 22 ILE HG22 H 1 1.140 . . 1 . . . . 225 ILE HG22 . 16229 1 153 . 2 2 22 22 ILE HG23 H 1 1.140 . . 1 . . . . 225 ILE HG23 . 16229 1 154 . 2 2 22 22 ILE C C 13 175.136 . . 1 . . . . 225 ILE C . 16229 1 155 . 2 2 22 22 ILE CA C 13 57.412 . . 1 . . . . 225 ILE CA . 16229 1 156 . 2 2 22 22 ILE CB C 13 40.045 . . 1 . . . . 225 ILE CB . 16229 1 157 . 2 2 22 22 ILE CD1 C 13 9.881 . . 1 . . . . 225 ILE CD1 . 16229 1 158 . 2 2 22 22 ILE CG1 C 13 27.193 . . 1 . . . . 225 ILE CG1 . 16229 1 159 . 2 2 22 22 ILE CG2 C 13 17.577 . . 1 . . . . 225 ILE CG2 . 16229 1 160 . 2 2 22 22 ILE N N 15 122.739 . . 1 . . . . 225 ILE N . 16229 1 161 . 2 2 23 23 THR H H 1 9.086 . . 1 . . . . 226 THR HN . 16229 1 162 . 2 2 23 23 THR HA H 1 5.287 . . 1 . . . . 226 THR HA . 16229 1 163 . 2 2 23 23 THR HB H 1 3.845 . . 1 . . . . 226 THR HB . 16229 1 164 . 2 2 23 23 THR HG21 H 1 0.993 . . 1 . . . . 226 THR HG21 . 16229 1 165 . 2 2 23 23 THR HG22 H 1 0.993 . . 1 . . . . 226 THR HG22 . 16229 1 166 . 2 2 23 23 THR HG23 H 1 0.993 . . 1 . . . . 226 THR HG23 . 16229 1 167 . 2 2 23 23 THR C C 13 172.924 . . 1 . . . . 226 THR C . 16229 1 168 . 2 2 23 23 THR CA C 13 61.746 . . 1 . . . . 226 THR CA . 16229 1 169 . 2 2 23 23 THR CB C 13 69.707 . . 1 . . . . 226 THR CB . 16229 1 170 . 2 2 23 23 THR CG2 C 13 21.069 . . 1 . . . . 226 THR CG2 . 16229 1 171 . 2 2 23 23 THR N N 15 126.018 . . 1 . . . . 226 THR N . 16229 1 172 . 2 2 24 24 ALA H H 1 8.230 . . 1 . . . . 227 ALA HN . 16229 1 173 . 2 2 24 24 ALA HA H 1 4.373 . . 1 . . . . 227 ALA HA . 16229 1 174 . 2 2 24 24 ALA HB1 H 1 0.408 . . 1 . . . . 227 ALA HB1 . 16229 1 175 . 2 2 24 24 ALA HB2 H 1 0.408 . . 1 . . . . 227 ALA HB2 . 16229 1 176 . 2 2 24 24 ALA HB3 H 1 0.408 . . 1 . . . . 227 ALA HB3 . 16229 1 177 . 2 2 24 24 ALA C C 13 176.316 . . 1 . . . . 227 ALA C . 16229 1 178 . 2 2 24 24 ALA CA C 13 52.129 . . 1 . . . . 227 ALA CA . 16229 1 179 . 2 2 24 24 ALA CB C 13 18.973 . . 1 . . . . 227 ALA CB . 16229 1 180 . 2 2 24 24 ALA N N 15 126.634 . . 1 . . . . 227 ALA N . 16229 1 181 . 2 2 25 25 ASN H H 1 9.328 . . 1 . . . . 228 ASN HN . 16229 1 182 . 2 2 25 25 ASN C C 13 174.485 . . 1 . . . . 228 ASN C . 16229 1 183 . 2 2 25 25 ASN CA C 13 53.456 . . 1 . . . . 228 ASN CA . 16229 1 184 . 2 2 25 25 ASN CB C 13 37.616 . . 1 . . . . 228 ASN CB . 16229 1 185 . 2 2 25 25 ASN N N 15 120.891 . . 1 . . . . 228 ASN N . 16229 1 186 . 2 2 26 26 SER H H 1 8.609 . . 1 . . . . 229 SER HN . 16229 1 187 . 2 2 26 26 SER HA H 1 3.819 . . 1 . . . . 229 SER HA . 16229 1 188 . 2 2 26 26 SER HB2 H 1 4.079 . . . . . . . 229 SER HB1 . 16229 1 189 . 2 2 26 26 SER HB3 H 1 4.193 . . 2 . . . . 229 SER HB2 . 16229 1 190 . 2 2 26 26 SER C C 13 173.283 . . 1 . . . . 229 SER C . 16229 1 191 . 2 2 26 26 SER CA C 13 60.336 . . 1 . . . . 229 SER CA . 16229 1 192 . 2 2 26 26 SER CB C 13 62.478 . . 1 . . . . 229 SER CB . 16229 1 193 . 2 2 26 26 SER N N 15 104.869 . . 1 . . . . 229 SER N . 16229 1 194 . 2 2 27 27 ILE H H 1 8.078 . . 1 . . . . 230 ILE HN . 16229 1 195 . 2 2 27 27 ILE HA H 1 4.553 . . 1 . . . . 230 ILE HA . 16229 1 196 . 2 2 27 27 ILE HB H 1 2.009 . . 1 . . . . 230 ILE HB . 16229 1 197 . 2 2 27 27 ILE HD11 H 1 0.961 . . 1 . . . . 230 ILE HD11 . 16229 1 198 . 2 2 27 27 ILE HD12 H 1 0.961 . . 1 . . . . 230 ILE HD12 . 16229 1 199 . 2 2 27 27 ILE HD13 H 1 0.961 . . 1 . . . . 230 ILE HD13 . 16229 1 200 . 2 2 27 27 ILE HG12 H 1 1.245 . . . . . . . 230 ILE HG11 . 16229 1 201 . 2 2 27 27 ILE HG13 H 1 1.722 . . 2 . . . . 230 ILE HG12 . 16229 1 202 . 2 2 27 27 ILE HG21 H 1 0.861 . . 1 . . . . 230 ILE HG21 . 16229 1 203 . 2 2 27 27 ILE HG22 H 1 0.861 . . 1 . . . . 230 ILE HG22 . 16229 1 204 . 2 2 27 27 ILE HG23 H 1 0.861 . . 1 . . . . 230 ILE HG23 . 16229 1 205 . 2 2 27 27 ILE C C 13 176.829 . . 1 . . . . 230 ILE C . 16229 1 206 . 2 2 27 27 ILE CA C 13 60.143 . . 1 . . . . 230 ILE CA . 16229 1 207 . 2 2 27 27 ILE CB C 13 41.405 . . 1 . . . . 230 ILE CB . 16229 1 208 . 2 2 27 27 ILE CD1 C 13 13.216 . . 1 . . . . 230 ILE CD1 . 16229 1 209 . 2 2 27 27 ILE CG1 C 13 27.184 . . 1 . . . . 230 ILE CG1 . 16229 1 210 . 2 2 27 27 ILE CG2 C 13 17.531 . . 1 . . . . 230 ILE CG2 . 16229 1 211 . 2 2 27 27 ILE N N 15 121.277 . . 1 . . . . 230 ILE N . 16229 1 212 . 2 2 28 28 THR H H 1 9.372 . . 1 . . . . 231 THR HN . 16229 1 213 . 2 2 28 28 THR HA H 1 5.287 . . 1 . . . . 231 THR HA . 16229 1 214 . 2 2 28 28 THR HB H 1 3.885 . . 1 . . . . 231 THR HB . 16229 1 215 . 2 2 28 28 THR HG21 H 1 1.074 . . 1 . . . . 231 THR HG21 . 16229 1 216 . 2 2 28 28 THR HG22 H 1 1.074 . . 1 . . . . 231 THR HG22 . 16229 1 217 . 2 2 28 28 THR HG23 H 1 1.074 . . 1 . . . . 231 THR HG23 . 16229 1 218 . 2 2 28 28 THR C C 13 173.647 . . 1 . . . . 231 THR C . 16229 1 219 . 2 2 28 28 THR CA C 13 62.851 . . 1 . . . . 231 THR CA . 16229 1 220 . 2 2 28 28 THR CB C 13 69.710 . . 1 . . . . 231 THR CB . 16229 1 221 . 2 2 28 28 THR CG2 C 13 21.807 . . 1 . . . . 231 THR CG2 . 16229 1 222 . 2 2 28 28 THR N N 15 130.949 . . 1 . . . . 231 THR N . 16229 1 223 . 2 2 29 29 VAL H H 1 8.874 . . 1 . . . . 232 VAL HN . 16229 1 224 . 2 2 29 29 VAL HA H 1 4.540 . . 1 . . . . 232 VAL HA . 16229 1 225 . 2 2 29 29 VAL HB H 1 1.730 . . 1 . . . . 232 VAL HB . 16229 1 226 . 2 2 29 29 VAL HG11 H 1 0.338 . . 2 . . . . 232 VAL HG11 . 16229 1 227 . 2 2 29 29 VAL HG12 H 1 0.338 . . 2 . . . . 232 VAL HG12 . 16229 1 228 . 2 2 29 29 VAL HG13 H 1 0.338 . . 2 . . . . 232 VAL HG13 . 16229 1 229 . 2 2 29 29 VAL HG21 H 1 0.326 . . 2 . . . . 232 VAL HG21 . 16229 1 230 . 2 2 29 29 VAL HG22 H 1 0.326 . . 2 . . . . 232 VAL HG22 . 16229 1 231 . 2 2 29 29 VAL HG23 H 1 0.326 . . 2 . . . . 232 VAL HG23 . 16229 1 232 . 2 2 29 29 VAL C C 13 173.515 . . 1 . . . . 232 VAL C . 16229 1 233 . 2 2 29 29 VAL CA C 13 59.157 . . 1 . . . . 232 VAL CA . 16229 1 234 . 2 2 29 29 VAL CB C 13 34.997 . . 1 . . . . 232 VAL CB . 16229 1 235 . 2 2 29 29 VAL CG1 C 13 20.083 . . 2 . . . . 232 VAL CG1 . 16229 1 236 . 2 2 29 29 VAL CG2 C 13 21.438 . . 2 . . . . 232 VAL CG2 . 16229 1 237 . 2 2 29 29 VAL N N 15 121.867 . . 1 . . . . 232 VAL N . 16229 1 238 . 2 2 30 30 THR H H 1 8.524 . . 1 . . . . 233 THR HN . 16229 1 239 . 2 2 30 30 THR HA H 1 5.048 . . 1 . . . . 233 THR HA . 16229 1 240 . 2 2 30 30 THR HB H 1 3.596 . . 1 . . . . 233 THR HB . 16229 1 241 . 2 2 30 30 THR HG21 H 1 1.122 . . 1 . . . . 233 THR HG21 . 16229 1 242 . 2 2 30 30 THR HG22 H 1 1.122 . . 1 . . . . 233 THR HG22 . 16229 1 243 . 2 2 30 30 THR HG23 H 1 1.122 . . 1 . . . . 233 THR HG23 . 16229 1 244 . 2 2 30 30 THR C C 13 175.169 . . 1 . . . . 233 THR C . 16229 1 245 . 2 2 30 30 THR CA C 13 62.489 . . 1 . . . . 233 THR CA . 16229 1 246 . 2 2 30 30 THR CB C 13 70.612 . . 1 . . . . 233 THR CB . 16229 1 247 . 2 2 30 30 THR CG2 C 13 23.410 . . 1 . . . . 233 THR CG2 . 16229 1 248 . 2 2 30 30 THR N N 15 118.893 . . 1 . . . . 233 THR N . 16229 1 249 . 2 2 31 31 PHE H H 1 9.752 . . 1 . . . . 234 PHE HN . 16229 1 250 . 2 2 31 31 PHE HA H 1 4.674 . . 1 . . . . 234 PHE HA . 16229 1 251 . 2 2 31 31 PHE HB2 H 1 2.045 . . . . . . . 234 PHE HB1 . 16229 1 252 . 2 2 31 31 PHE HB3 H 1 2.829 . . 2 . . . . 234 PHE HB2 . 16229 1 253 . 2 2 31 31 PHE C C 13 174.543 . . 1 . . . . 234 PHE C . 16229 1 254 . 2 2 31 31 PHE CA C 13 57.436 . . 1 . . . . 234 PHE CA . 16229 1 255 . 2 2 31 31 PHE CB C 13 42.879 . . 1 . . . . 234 PHE CB . 16229 1 256 . 2 2 31 31 PHE N N 15 128.838 . . 1 . . . . 234 PHE N . 16229 1 257 . 2 2 32 32 ARG H H 1 8.862 . . 1 . . . . 235 ARG HN . 16229 1 258 . 2 2 32 32 ARG HA H 1 5.533 . . 1 . . . . 235 ARG HA . 16229 1 259 . 2 2 32 32 ARG HB2 H 1 1.742 . . . . . . . 235 ARG HB1 . 16229 1 260 . 2 2 32 32 ARG HB3 H 1 1.814 . . 2 . . . . 235 ARG HB2 . 16229 1 261 . 2 2 32 32 ARG HD2 H 1 3.205 . . . . . . . 235 ARG HD1 . 16229 1 262 . 2 2 32 32 ARG HD3 H 1 3.205 . . 2 . . . . 235 ARG HD2 . 16229 1 263 . 2 2 32 32 ARG HG2 H 1 1.730 . . . . . . . 235 ARG HG1 . 16229 1 264 . 2 2 32 32 ARG HG3 H 1 1.865 . . 2 . . . . 235 ARG HG2 . 16229 1 265 . 2 2 32 32 ARG C C 13 174.522 . . 1 . . . . 235 ARG C . 16229 1 266 . 2 2 32 32 ARG CA C 13 54.598 . . 1 . . . . 235 ARG CA . 16229 1 267 . 2 2 32 32 ARG CB C 13 33.272 . . 1 . . . . 235 ARG CB . 16229 1 268 . 2 2 32 32 ARG CD C 13 43.500 . . 1 . . . . 235 ARG CD . 16229 1 269 . 2 2 32 32 ARG CG C 13 29.568 . . 1 . . . . 235 ARG CG . 16229 1 270 . 2 2 32 32 ARG N N 15 120.762 . . 1 . . . . 235 ARG N . 16229 1 271 . 2 2 33 33 GLU H H 1 8.967 . . 1 . . . . 236 GLU HN . 16229 1 272 . 2 2 33 33 GLU HA H 1 5.643 . . 1 . . . . 236 GLU HA . 16229 1 273 . 2 2 33 33 GLU HB2 H 1 2.112 . . . . . . . 236 GLU HB1 . 16229 1 274 . 2 2 33 33 GLU HB3 H 1 2.112 . . 2 . . . . 236 GLU HB2 . 16229 1 275 . 2 2 33 33 GLU HG2 H 1 2.507 . . . . . . . 236 GLU HG1 . 16229 1 276 . 2 2 33 33 GLU HG3 H 1 2.507 . . 2 . . . . 236 GLU HG2 . 16229 1 277 . 2 2 33 33 GLU C C 13 172.908 . . 1 . . . . 236 GLU C . 16229 1 278 . 2 2 33 33 GLU CA C 13 54.586 . . 1 . . . . 236 GLU CA . 16229 1 279 . 2 2 33 33 GLU CB C 13 33.273 . . 1 . . . . 236 GLU CB . 16229 1 280 . 2 2 33 33 GLU CG C 13 36.967 . . 1 . . . . 236 GLU CG . 16229 1 281 . 2 2 33 33 GLU N N 15 124.383 . . 1 . . . . 236 GLU N . 16229 1 282 . 2 2 34 34 ALA H H 1 8.237 . . 1 . . . . 237 ALA HN . 16229 1 283 . 2 2 34 34 ALA HA H 1 4.737 . . 1 . . . . 237 ALA HA . 16229 1 284 . 2 2 34 34 ALA HB1 H 1 0.408 . . 1 . . . . 237 ALA HB1 . 16229 1 285 . 2 2 34 34 ALA HB2 H 1 0.408 . . 1 . . . . 237 ALA HB2 . 16229 1 286 . 2 2 34 34 ALA HB3 H 1 0.408 . . 1 . . . . 237 ALA HB3 . 16229 1 287 . 2 2 34 34 ALA C C 13 177.016 . . 1 . . . . 237 ALA C . 16229 1 288 . 2 2 34 34 ALA CA C 13 49.661 . . 1 . . . . 237 ALA CA . 16229 1 289 . 2 2 34 34 ALA CB C 13 22.054 . . 1 . . . . 237 ALA CB . 16229 1 290 . 2 2 34 34 ALA N N 15 128.287 . . 1 . . . . 237 ALA N . 16229 1 291 . 2 2 35 35 GLN H H 1 8.672 . . 1 . . . . 238 GLN HN . 16229 1 292 . 2 2 35 35 GLN HA H 1 4.362 . . 1 . . . . 238 GLN HA . 16229 1 293 . 2 2 35 35 GLN HB2 H 1 1.954 . . . . . . . 238 GLN HB1 . 16229 1 294 . 2 2 35 35 GLN HB3 H 1 2.256 . . 2 . . . . 238 GLN HB2 . 16229 1 295 . 2 2 35 35 GLN HG2 H 1 2.410 . . . . . . . 238 GLN HG1 . 16229 1 296 . 2 2 35 35 GLN HG3 H 1 2.410 . . 2 . . . . 238 GLN HG2 . 16229 1 297 . 2 2 35 35 GLN C C 13 174.484 . . 1 . . . . 238 GLN C . 16229 1 298 . 2 2 35 35 GLN CA C 13 56.688 . . 1 . . . . 238 GLN CA . 16229 1 299 . 2 2 35 35 GLN CB C 13 29.452 . . 1 . . . . 238 GLN CB . 16229 1 300 . 2 2 35 35 GLN CG C 13 34.508 . . 1 . . . . 238 GLN CG . 16229 1 301 . 2 2 35 35 GLN N N 15 116.860 . . 1 . . . . 238 GLN N . 16229 1 302 . 2 2 36 36 ALA H H 1 7.097 . . 1 . . . . 239 ALA HN . 16229 1 303 . 2 2 36 36 ALA HA H 1 3.871 . . 1 . . . . 239 ALA HA . 16229 1 304 . 2 2 36 36 ALA HB1 H 1 1.183 . . 1 . . . . 239 ALA HB1 . 16229 1 305 . 2 2 36 36 ALA HB2 H 1 1.183 . . 1 . . . . 239 ALA HB2 . 16229 1 306 . 2 2 36 36 ALA HB3 H 1 1.183 . . 1 . . . . 239 ALA HB3 . 16229 1 307 . 2 2 36 36 ALA C C 13 174.986 . . 1 . . . . 239 ALA C . 16229 1 308 . 2 2 36 36 ALA CA C 13 50.594 . . 1 . . . . 239 ALA CA . 16229 1 309 . 2 2 36 36 ALA CB C 13 21.686 . . 1 . . . . 239 ALA CB . 16229 1 310 . 2 2 36 36 ALA N N 15 118.906 . . 1 . . . . 239 ALA N . 16229 1 311 . 2 2 37 37 ALA H H 1 7.342 . . 1 . . . . 240 ALA HN . 16229 1 312 . 2 2 37 37 ALA HA H 1 3.029 . . 1 . . . . 240 ALA HA . 16229 1 313 . 2 2 37 37 ALA HB1 H 1 0.909 . . 1 . . . . 240 ALA HB1 . 16229 1 314 . 2 2 37 37 ALA HB2 H 1 0.909 . . 1 . . . . 240 ALA HB2 . 16229 1 315 . 2 2 37 37 ALA HB3 H 1 0.909 . . 1 . . . . 240 ALA HB3 . 16229 1 316 . 2 2 37 37 ALA C C 13 179.754 . . 1 . . . . 240 ALA C . 16229 1 317 . 2 2 37 37 ALA CA C 13 53.855 . . 1 . . . . 240 ALA CA . 16229 1 318 . 2 2 37 37 ALA CB C 13 19.836 . . 1 . . . . 240 ALA CB . 16229 1 319 . 2 2 37 37 ALA N N 15 120.530 . . 1 . . . . 240 ALA N . 16229 1 320 . 2 2 38 38 GLU H H 1 8.215 . . 1 . . . . 241 GLU HN . 16229 1 321 . 2 2 38 38 GLU HA H 1 3.966 . . 1 . . . . 241 GLU HA . 16229 1 322 . 2 2 38 38 GLU HB2 H 1 1.754 . . . . . . . 241 GLU HB1 . 16229 1 323 . 2 2 38 38 GLU HB3 H 1 1.935 . . 2 . . . . 241 GLU HB2 . 16229 1 324 . 2 2 38 38 GLU HG2 H 1 2.222 . . . . . . . 241 GLU HG1 . 16229 1 325 . 2 2 38 38 GLU HG3 H 1 2.222 . . 2 . . . . 241 GLU HG2 . 16229 1 326 . 2 2 38 38 GLU C C 13 177.517 . . 1 . . . . 241 GLU C . 16229 1 327 . 2 2 38 38 GLU CA C 13 58.983 . . 1 . . . . 241 GLU CA . 16229 1 328 . 2 2 38 38 GLU CB C 13 28.465 . . 1 . . . . 241 GLU CB . 16229 1 329 . 2 2 38 38 GLU CG C 13 36.366 . . 1 . . . . 241 GLU CG . 16229 1 330 . 2 2 38 38 GLU N N 15 119.556 . . 1 . . . . 241 GLU N . 16229 1 331 . 2 2 39 39 GLY H H 1 8.998 . . 1 . . . . 242 GLY HN . 16229 1 332 . 2 2 39 39 GLY HA2 H 1 3.661 . . . . . . . 242 GLY HA1 . 16229 1 333 . 2 2 39 39 GLY HA3 H 1 4.127 . . 2 . . . . 242 GLY HA2 . 16229 1 334 . 2 2 39 39 GLY C C 13 172.790 . . 1 . . . . 242 GLY C . 16229 1 335 . 2 2 39 39 GLY CA C 13 45.602 . . 1 . . . . 242 GLY CA . 16229 1 336 . 2 2 39 39 GLY N N 15 114.596 . . 1 . . . . 242 GLY N . 16229 1 337 . 2 2 40 40 PHE H H 1 7.993 . . 1 . . . . 243 PHE HN . 16229 1 338 . 2 2 40 40 PHE HA H 1 4.797 . . 1 . . . . 243 PHE HA . 16229 1 339 . 2 2 40 40 PHE HB2 H 1 2.669 . . . . . . . 243 PHE HB1 . 16229 1 340 . 2 2 40 40 PHE HB3 H 1 2.743 . . 2 . . . . 243 PHE HB2 . 16229 1 341 . 2 2 40 40 PHE C C 13 175.888 . . 1 . . . . 243 PHE C . 16229 1 342 . 2 2 40 40 PHE CA C 13 58.288 . . 1 . . . . 243 PHE CA . 16229 1 343 . 2 2 40 40 PHE CB C 13 41.579 . . 1 . . . . 243 PHE CB . 16229 1 344 . 2 2 40 40 PHE N N 15 121.504 . . 1 . . . . 243 PHE N . 16229 1 345 . 2 2 41 41 PHE H H 1 8.552 . . 1 . . . . 244 PHE HN . 16229 1 346 . 2 2 41 41 PHE HA H 1 4.797 . . 1 . . . . 244 PHE HA . 16229 1 347 . 2 2 41 41 PHE HB2 H 1 3.019 . . . . . . . 244 PHE HB1 . 16229 1 348 . 2 2 41 41 PHE HB3 H 1 3.471 . . 2 . . . . 244 PHE HB2 . 16229 1 349 . 2 2 41 41 PHE C C 13 177.205 . . 1 . . . . 244 PHE C . 16229 1 350 . 2 2 41 41 PHE CA C 13 53.486 . . 1 . . . . 244 PHE CA . 16229 1 351 . 2 2 41 41 PHE CB C 13 37.599 . . 1 . . . . 244 PHE CB . 16229 1 352 . 2 2 41 41 PHE N N 15 119.662 . . 1 . . . . 244 PHE N . 16229 1 353 . 2 2 42 42 ARG H H 1 10.224 . . 1 . . . . 245 ARG HN . 16229 1 354 . 2 2 42 42 ARG HA H 1 4.196 . . 1 . . . . 245 ARG HA . 16229 1 355 . 2 2 42 42 ARG HB2 H 1 1.826 . . . . . . . 245 ARG HB1 . 16229 1 356 . 2 2 42 42 ARG HB3 H 1 1.826 . . 2 . . . . 245 ARG HB2 . 16229 1 357 . 2 2 42 42 ARG HD2 H 1 3.165 . . . . . . . 245 ARG HD1 . 16229 1 358 . 2 2 42 42 ARG HD3 H 1 3.165 . . 2 . . . . 245 ARG HD2 . 16229 1 359 . 2 2 42 42 ARG HG2 H 1 1.864 . . . . . . . 245 ARG HG1 . 16229 1 360 . 2 2 42 42 ARG HG3 H 1 1.913 . . 2 . . . . 245 ARG HG2 . 16229 1 361 . 2 2 42 42 ARG C C 13 176.576 . . 1 . . . . 245 ARG C . 16229 1 362 . 2 2 42 42 ARG CA C 13 56.062 . . 1 . . . . 245 ARG CA . 16229 1 363 . 2 2 42 42 ARG CB C 13 31.046 . . 1 . . . . 245 ARG CB . 16229 1 364 . 2 2 42 42 ARG CD C 13 43.597 . . 1 . . . . 245 ARG CD . 16229 1 365 . 2 2 42 42 ARG CG C 13 27.106 . . 1 . . . . 245 ARG CG . 16229 1 366 . 2 2 42 42 ARG N N 15 123.677 . . 1 . . . . 245 ARG N . 16229 1 367 . 2 2 43 43 ASP H H 1 8.592 . . 1 . . . . 246 ASP HN . 16229 1 368 . 2 2 43 43 ASP HA H 1 4.595 . . 1 . . . . 246 ASP HA . 16229 1 369 . 2 2 43 43 ASP HB2 H 1 2.689 . . . . . . . 246 ASP HB1 . 16229 1 370 . 2 2 43 43 ASP HB3 H 1 2.689 . . 2 . . . . 246 ASP HB2 . 16229 1 371 . 2 2 43 43 ASP C C 13 177.244 . . 1 . . . . 246 ASP C . 16229 1 372 . 2 2 43 43 ASP CA C 13 54.711 . . 1 . . . . 246 ASP CA . 16229 1 373 . 2 2 43 43 ASP CB C 13 41.161 . . 1 . . . . 246 ASP CB . 16229 1 374 . 2 2 43 43 ASP N N 15 121.871 . . 1 . . . . 246 ASP N . 16229 1 375 . 2 2 44 44 ARG H H 1 8.782 . . 1 . . . . 247 ARG HN . 16229 1 376 . 2 2 44 44 ARG HA H 1 4.449 . . 1 . . . . 247 ARG HA . 16229 1 377 . 2 2 44 44 ARG HB2 H 1 1.975 . . . . . . . 247 ARG HB1 . 16229 1 378 . 2 2 44 44 ARG HB3 H 1 1.975 . . 2 . . . . 247 ARG HB2 . 16229 1 379 . 2 2 44 44 ARG C C 13 176.754 . . 1 . . . . 247 ARG C . 16229 1 380 . 2 2 44 44 ARG CA C 13 55.966 . . 1 . . . . 247 ARG CA . 16229 1 381 . 2 2 44 44 ARG CB C 13 30.073 . . 1 . . . . 247 ARG CB . 16229 1 382 . 2 2 44 44 ARG CD C 13 43.584 . . 1 . . . . 247 ARG CD . 16229 1 383 . 2 2 44 44 ARG CG C 13 28.133 . . 1 . . . . 247 ARG CG . 16229 1 384 . 2 2 44 44 ARG N N 15 125.535 . . 1 . . . . 247 ARG N . 16229 1 385 . 2 2 45 45 SER H H 1 8.443 . . 1 . . . . 248 SER HN . 16229 1 386 . 2 2 45 45 SER HA H 1 4.504 . . 1 . . . . 248 SER HA . 16229 1 387 . 2 2 45 45 SER HB2 H 1 3.777 . . . . . . . 248 SER HB1 . 16229 1 388 . 2 2 45 45 SER HB3 H 1 3.777 . . 2 . . . . 248 SER HB2 . 16229 1 389 . 2 2 45 45 SER C C 13 175.290 . . 1 . . . . 248 SER C . 16229 1 390 . 2 2 45 45 SER CA C 13 59.896 . . 1 . . . . 248 SER CA . 16229 1 391 . 2 2 45 45 SER CB C 13 64.449 . . 1 . . . . 248 SER CB . 16229 1 392 . 2 2 45 45 SER N N 15 116.548 . . 1 . . . . 248 SER N . 16229 1 393 . 2 2 46 46 GLY H H 1 8.305 . . 1 . . . . 249 GLY HN . 16229 1 394 . 2 2 46 46 GLY HA2 H 1 3.899 . . . . . . . 249 GLY HA1 . 16229 1 395 . 2 2 46 46 GLY HA3 H 1 3.899 . . 2 . . . . 249 GLY HA2 . 16229 1 396 . 2 2 46 46 GLY C C 13 174.436 . . 1 . . . . 249 GLY C . 16229 1 397 . 2 2 46 46 GLY CA C 13 45.613 . . 1 . . . . 249 GLY CA . 16229 1 398 . 2 2 46 46 GLY N N 15 110.668 . . 1 . . . . 249 GLY N . 16229 1 399 . 2 2 47 47 LYS H H 1 8.047 . . 1 . . . . 250 LYS HN . 16229 1 400 . 2 2 47 47 LYS HA H 1 4.197 . . 1 . . . . 250 LYS HA . 16229 1 401 . 2 2 47 47 LYS HB2 H 1 1.578 . . . . . . . 250 LYS HB1 . 16229 1 402 . 2 2 47 47 LYS HB3 H 1 2.072 . . 2 . . . . 250 LYS HB2 . 16229 1 403 . 2 2 47 47 LYS HD2 H 1 1.651 . . . . . . . 250 LYS HD1 . 16229 1 404 . 2 2 47 47 LYS HD3 H 1 1.651 . . 2 . . . . 250 LYS HD2 . 16229 1 405 . 2 2 47 47 LYS HG2 H 1 1.145 . . . . . . . 250 LYS HG1 . 16229 1 406 . 2 2 47 47 LYS HG3 H 1 1.178 . . 2 . . . . 250 LYS HG2 . 16229 1 407 . 2 2 47 47 LYS C C 13 176.558 . . 1 . . . . 250 LYS C . 16229 1 408 . 2 2 47 47 LYS CA C 13 56.910 . . 1 . . . . 250 LYS CA . 16229 1 409 . 2 2 47 47 LYS CB C 13 32.738 . . 1 . . . . 250 LYS CB . 16229 1 410 . 2 2 47 47 LYS CD C 13 29.076 . . 1 . . . . 250 LYS CD . 16229 1 411 . 2 2 47 47 LYS CE C 13 42.152 . . 1 . . . . 250 LYS CE . 16229 1 412 . 2 2 47 47 LYS CG C 13 24.772 . . 1 . . . . 250 LYS CG . 16229 1 413 . 2 2 47 47 LYS N N 15 120.913 . . 1 . . . . 250 LYS N . 16229 1 414 . 2 2 48 48 PHE H H 1 8.210 . . 1 . . . . 251 PHE HN . 16229 1 415 . 2 2 48 48 PHE HA H 1 4.620 . . 1 . . . . 251 PHE HA . 16229 1 416 . 2 2 48 48 PHE HB2 H 1 2.946 . . . . . . . 251 PHE HB1 . 16229 1 417 . 2 2 48 48 PHE HB3 H 1 3.157 . . 2 . . . . 251 PHE HB2 . 16229 1 418 . 2 2 48 48 PHE C C 13 175.800 . . 1 . . . . 251 PHE C . 16229 1 419 . 2 2 48 48 PHE CA C 13 57.620 . . 1 . . . . 251 PHE CA . 16229 1 420 . 2 2 48 48 PHE CB C 13 39.196 . . 1 . . . . 251 PHE CB . 16229 1 421 . 2 2 48 48 PHE N N 15 120.107 . . 1 . . . . 251 PHE N . 16229 1 stop_ save_