data_7221 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7221 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'pH titration of Link_TSG6' 'pH titration' 'chemical shifts of amide H and N-H nuclei in Link_TSG6 at a range of pH values' 7221 1 2 'pH titration of HA8-bound Link_TSG6' 'pH titration' 'chemical shifts of amide H and N-H nuclei in Link_TSG6 in compelx with HA8 at a range of pH values' 7221 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'chemical shift' 7221 1 . 'pH titration' 7221 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7221 _Entry.Title ; Amide chemical shifts of free and hyaluronan-bound Link_TSG6 at a range of pH values ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-12 _Entry.Accession_date 2006-07-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Amide chemical shifts of free and hyaluronan-bound Link_TSG6 at a range of pH values' _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 Charles Blundell . D. . 7221 2 Anthony Day . J. . 7221 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 18 7221 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 571 7221 '1H chemical shifts' 750 7221 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 . . 2008-07-16 2006-07-12 update BMRB 'complete entry citation' 7221 1 . . 2007-03-05 2006-07-12 original author 'original release' 7221 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6392 'Link_TSG6 free form' 7221 BMRB 6393 'Complex form with HA octasaccharide' 7221 BMRB 7222 'Link_TSG6 free form' 7221 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7221 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17307731 _Citation.Full_citation . _Citation.Title 'Determining the molecular basis for the pH-dependent interaction between the Link module of human TSG-6 and hyaluronan' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 17 _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 12976 _Citation.Page_last 12988 _Citation.Year 2007 _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 Charles Blundell . D. . 7221 1 2 David Mahoney . J. . 7221 1 3 Martin Cordell . R. . 7221 1 4 Andrew Almond . . . 7221 1 5 Jan Kahmann . D. . 7221 1 6 Andras Perczel . . . 7221 1 7 Jon Taylor . D. . 7221 1 8 Iain Campbell . D. . 7221 1 9 Anthony Day . J. . 7221 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TSG-6 7221 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7221 _Assembly.ID 1 _Assembly.Name 'Link_TSG6 with and without hyaluronan octasaccharides' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 14500 _Assembly.Enzyme_commission_number . _Assembly.Details ; Link_TSG6 with and without hyaluronan octasaccharides The hyaluronan octasaccharide has not been assigned, nor its structure within the complex determined to date. It is best to note its structure as : D-GlcA-B1-3-D-GlcNAc-B1-4-D-GlcA-B1-3-D-GlcNAc-B1-4-D-GlcA-B1-3-D-GlcNAc-B1- 4-D-GlcA-B1-3-D-GlcNAc-OH ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7221 1 'protein-ligand system' 7221 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Link_TSG6 1 $Link_TSG6 . . yes native no no . protein 'polypeptide component' 7221 1 2 'hyaluronan octasaccharide' 2 $entity_HA8 . . yes native no no . 'carbohydrate ligand' 'carbohydrate ligand component' 7221 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 47 47 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 7221 1 2 disulfide SING . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 7221 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 7221 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID arthritis 7221 1 inflammation 7221 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID Link_TSG6/HA8 7221 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Link_TSG6 _Entity.Sf_category entity _Entity.Sf_framecode Link_TSG6 _Entity.Entry_ID 7221 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Link_TSG6 _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 ; GVYHREARSGKYKLTYAEAK AVCEFEGGHLATYKQLEAAR KIGFHVCAAGWMAKGRVGYP IVKPGPNCGFGKTGIIDYGI RLNRSERWDAYCYNPHAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'G1 to K98' _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 ; C47-C68 C23-C92 ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6392 . Link_TSG6 . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 7221 1 2 no BMRB 6393 . "human TSG-6" . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 7221 1 3 no BMRB 7222 . Link_TSG6 . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 7221 1 4 no PDB 1O7B . "Refined Solution Structure Of The Human Tsg-6 Link Module" . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 7221 1 5 no PDB 1O7C . "Solution Structure Of The Human Tsg-6 Link Module In The Presence Of A Hyaluronan Octasaccharide" . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 7221 1 6 no PDB 2PF5 . "Crystal Structure Of The Human Tsg-6 Link Module" . . . . . 100.00 98 100.00 100.00 7.62e-65 . . . . 7221 1 7 no DBJ BAE24204 . "unnamed protein product [Mus musculus]" . . . . . 100.00 275 96.94 98.98 2.36e-61 . . . . 7221 1 8 no DBJ BAJ20799 . "tumor necrosis factor, alpha-induced protein 6 [synthetic construct]" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 7221 1 9 no EMBL CAD12353 . "TSG-6 protein [Homo sapiens]" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 7221 1 10 no EMBL CAD13434 . "TSG-6 protein [Homo sapiens]" . . . . . 100.00 277 100.00 100.00 9.33e-64 . . . . 7221 1 11 no EMBL CAH74219 . "tumor necrosis factor-stimulated protein TSG-6 precursor [Bos taurus]" . . . . . 100.00 280 98.98 100.00 3.97e-63 . . . . 7221 1 12 no GB AAA03342 . "secreted hyaluronate binding protein [Oryctolagus cuniculus]" . . . . . 100.00 276 97.96 97.96 1.96e-61 . . . . 7221 1 13 no GB AAB00792 . "adhesion receptor CD44 [Homo sapiens]" . . . . . 100.00 277 97.96 97.96 1.81e-61 . . . . 7221 1 14 no GB AAC53527 . "TNF-stimulated gene 6 protein [Mus musculus]" . . . . . 100.00 275 96.94 98.98 2.36e-61 . . . . 7221 1 15 no GB AAH21155 . "Tnfaip6 protein [Mus musculus]" . . . . . 100.00 275 96.94 98.98 2.36e-61 . . . . 7221 1 16 no GB AAH30205 . "Tumor necrosis factor, alpha-induced protein 6 [Homo sapiens]" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 7221 1 17 no REF NP_001007814 . "tumor necrosis factor-inducible gene 6 protein precursor [Bos taurus]" . . . . . 100.00 280 98.98 100.00 3.97e-63 . . . . 7221 1 18 no REF NP_001075375 . "tumor necrosis factor alpha-induced protein 6 precursor [Equus caballus]" . . . . . 100.00 277 98.98 100.00 4.20e-63 . . . . 7221 1 19 no REF NP_001075780 . "tumor necrosis factor-inducible gene 6 protein precursor [Oryctolagus cuniculus]" . . . . . 100.00 276 97.96 97.96 1.96e-61 . . . . 7221 1 20 no REF NP_001252869 . "tumor necrosis factor-inducible gene 6 protein precursor [Macaca mulatta]" . . . . . 100.00 277 97.96 100.00 3.38e-63 . . . . 7221 1 21 no REF NP_009046 . "tumor necrosis factor-inducible gene 6 protein precursor [Homo sapiens]" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 7221 1 22 no SP O08859 . "RecName: Full=Tumor necrosis factor-inducible gene 6 protein; AltName: Full=TNF-stimulated gene 6 protein; Short=TSG-6; AltName" . . . . . 100.00 275 96.94 98.98 2.36e-61 . . . . 7221 1 23 no SP P98065 . "RecName: Full=Tumor necrosis factor-inducible gene 6 protein; AltName: Full=Hyaluronate-binding protein PS4; AltName: Full=TNF-" . . . . . 100.00 276 97.96 97.96 1.96e-61 . . . . 7221 1 24 no SP P98066 . "RecName: Full=Tumor necrosis factor-inducible gene 6 protein; AltName: Full=Hyaluronate-binding protein; AltName: Full=TNF-stim" . . . . . 100.00 277 100.00 100.00 8.65e-64 . . . . 7221 1 25 no TPG DAA32671 . "TPA: tumor necrosis factor, alpha-induced protein 6 [Bos taurus]" . . . . . 100.00 280 98.98 100.00 3.97e-63 . . . . 7221 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 . GLY . 7221 1 2 . VAL . 7221 1 3 . TYR . 7221 1 4 . HIS . 7221 1 5 . ARG . 7221 1 6 . GLU . 7221 1 7 . ALA . 7221 1 8 . ARG . 7221 1 9 . SER . 7221 1 10 . GLY . 7221 1 11 . LYS . 7221 1 12 . TYR . 7221 1 13 . LYS . 7221 1 14 . LEU . 7221 1 15 . THR . 7221 1 16 . TYR . 7221 1 17 . ALA . 7221 1 18 . GLU . 7221 1 19 . ALA . 7221 1 20 . LYS . 7221 1 21 . ALA . 7221 1 22 . VAL . 7221 1 23 . CYS . 7221 1 24 . GLU . 7221 1 25 . PHE . 7221 1 26 . GLU . 7221 1 27 . GLY . 7221 1 28 . GLY . 7221 1 29 . HIS . 7221 1 30 . LEU . 7221 1 31 . ALA . 7221 1 32 . THR . 7221 1 33 . TYR . 7221 1 34 . LYS . 7221 1 35 . GLN . 7221 1 36 . LEU . 7221 1 37 . GLU . 7221 1 38 . ALA . 7221 1 39 . ALA . 7221 1 40 . ARG . 7221 1 41 . LYS . 7221 1 42 . ILE . 7221 1 43 . GLY . 7221 1 44 . PHE . 7221 1 45 . HIS . 7221 1 46 . VAL . 7221 1 47 . CYS . 7221 1 48 . ALA . 7221 1 49 . ALA . 7221 1 50 . GLY . 7221 1 51 . TRP . 7221 1 52 . MET . 7221 1 53 . ALA . 7221 1 54 . LYS . 7221 1 55 . GLY . 7221 1 56 . ARG . 7221 1 57 . VAL . 7221 1 58 . GLY . 7221 1 59 . TYR . 7221 1 60 . PRO . 7221 1 61 . ILE . 7221 1 62 . VAL . 7221 1 63 . LYS . 7221 1 64 . PRO . 7221 1 65 . GLY . 7221 1 66 . PRO . 7221 1 67 . ASN . 7221 1 68 . CYS . 7221 1 69 . GLY . 7221 1 70 . PHE . 7221 1 71 . GLY . 7221 1 72 . LYS . 7221 1 73 . THR . 7221 1 74 . GLY . 7221 1 75 . ILE . 7221 1 76 . ILE . 7221 1 77 . ASP . 7221 1 78 . TYR . 7221 1 79 . GLY . 7221 1 80 . ILE . 7221 1 81 . ARG . 7221 1 82 . LEU . 7221 1 83 . ASN . 7221 1 84 . ARG . 7221 1 85 . SER . 7221 1 86 . GLU . 7221 1 87 . ARG . 7221 1 88 . TRP . 7221 1 89 . ASP . 7221 1 90 . ALA . 7221 1 91 . TYR . 7221 1 92 . CYS . 7221 1 93 . TYR . 7221 1 94 . ASN . 7221 1 95 . PRO . 7221 1 96 . HIS . 7221 1 97 . ALA . 7221 1 98 . LYS . 7221 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 . GLY 1 1 7221 1 . VAL 2 2 7221 1 . TYR 3 3 7221 1 . HIS 4 4 7221 1 . ARG 5 5 7221 1 . GLU 6 6 7221 1 . ALA 7 7 7221 1 . ARG 8 8 7221 1 . SER 9 9 7221 1 . GLY 10 10 7221 1 . LYS 11 11 7221 1 . TYR 12 12 7221 1 . LYS 13 13 7221 1 . LEU 14 14 7221 1 . THR 15 15 7221 1 . TYR 16 16 7221 1 . ALA 17 17 7221 1 . GLU 18 18 7221 1 . ALA 19 19 7221 1 . LYS 20 20 7221 1 . ALA 21 21 7221 1 . VAL 22 22 7221 1 . CYS 23 23 7221 1 . GLU 24 24 7221 1 . PHE 25 25 7221 1 . GLU 26 26 7221 1 . GLY 27 27 7221 1 . GLY 28 28 7221 1 . HIS 29 29 7221 1 . LEU 30 30 7221 1 . ALA 31 31 7221 1 . THR 32 32 7221 1 . TYR 33 33 7221 1 . LYS 34 34 7221 1 . GLN 35 35 7221 1 . LEU 36 36 7221 1 . GLU 37 37 7221 1 . ALA 38 38 7221 1 . ALA 39 39 7221 1 . ARG 40 40 7221 1 . LYS 41 41 7221 1 . ILE 42 42 7221 1 . GLY 43 43 7221 1 . PHE 44 44 7221 1 . HIS 45 45 7221 1 . VAL 46 46 7221 1 . CYS 47 47 7221 1 . ALA 48 48 7221 1 . ALA 49 49 7221 1 . GLY 50 50 7221 1 . TRP 51 51 7221 1 . MET 52 52 7221 1 . ALA 53 53 7221 1 . LYS 54 54 7221 1 . GLY 55 55 7221 1 . ARG 56 56 7221 1 . VAL 57 57 7221 1 . GLY 58 58 7221 1 . TYR 59 59 7221 1 . PRO 60 60 7221 1 . ILE 61 61 7221 1 . VAL 62 62 7221 1 . LYS 63 63 7221 1 . PRO 64 64 7221 1 . GLY 65 65 7221 1 . PRO 66 66 7221 1 . ASN 67 67 7221 1 . CYS 68 68 7221 1 . GLY 69 69 7221 1 . PHE 70 70 7221 1 . GLY 71 71 7221 1 . LYS 72 72 7221 1 . THR 73 73 7221 1 . GLY 74 74 7221 1 . ILE 75 75 7221 1 . ILE 76 76 7221 1 . ASP 77 77 7221 1 . TYR 78 78 7221 1 . GLY 79 79 7221 1 . ILE 80 80 7221 1 . ARG 81 81 7221 1 . LEU 82 82 7221 1 . ASN 83 83 7221 1 . ARG 84 84 7221 1 . SER 85 85 7221 1 . GLU 86 86 7221 1 . ARG 87 87 7221 1 . TRP 88 88 7221 1 . ASP 89 89 7221 1 . ALA 90 90 7221 1 . TYR 91 91 7221 1 . CYS 92 92 7221 1 . TYR 93 93 7221 1 . ASN 94 94 7221 1 . PRO 95 95 7221 1 . HIS 96 96 7221 1 . ALA 97 97 7221 1 . LYS 98 98 7221 1 stop_ save_ save_entity_HA8 _Entity.Sf_category entity _Entity.Sf_framecode entity_HA8 _Entity.Entry_ID 7221 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'hyaluronan octasaccharide' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'hyaluronan octasaccharide' common 7221 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 7221 _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 $Link_TSG6 . 9606 organism no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7221 1 2 2 $entity_HA8 . 9606 organism yes 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7221 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 7221 _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 $Link_TSG6 . 'recombinant technology' . bacteria 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . . . . . . 7221 1 2 2 $entity_HA8 . 'Purified from the natural source' . man 'Homo sapiens' . . . . . . . . . . . . . . . . . . . . . . . . . . 7221 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7221 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM 15N-labelled Link_TSG6 with and without 1mM HA octasaccharide present' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Link_TSG6 [U-15N] . . 1 $Link_TSG6 . protein 1 . . mM 0.1 . . . 7221 1 2 HA8 . . . 2 $entity_HA8 . carbohydrate 1 . . mM 0.1 . . . 7221 1 3 H2O . . . . . . solvent 90 . . % . . . . 7221 1 4 D2O . . . . . . solvent 10 . . % . . . . 7221 1 5 'sodium azide' . . . . . . 'antimicrobial agent' 0.02 . . %(w/v) . . . . 7221 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 3.25 0.07 pH 7221 1 temperature 298 0.5 K 7221 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 3.5 0.07 pH 7221 2 temperature 298 0.5 K 7221 2 stop_ save_ save_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_3 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 3 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 3.75 0.07 pH 7221 3 temperature 298 0.5 K 7221 3 stop_ save_ save_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_4 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 4 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 4.0 0.07 pH 7221 4 temperature 298 0.5 K 7221 4 stop_ save_ save_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_5 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 5 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 4.25 0.07 pH 7221 5 temperature 298 0.5 K 7221 5 stop_ save_ save_conditions_6 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_6 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 6 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 4.5 0.07 pH 7221 6 temperature 298 0.5 K 7221 6 stop_ save_ save_conditions_7 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_7 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 7 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 4.75 0.07 pH 7221 7 temperature 298 0.5 K 7221 7 stop_ save_ save_conditions_8 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_8 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 8 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 5.0 0.07 pH 7221 8 temperature 298 0.5 K 7221 8 stop_ save_ save_conditions_9 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_9 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 9 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 5.25 0.07 pH 7221 9 temperature 298 0.5 K 7221 9 stop_ save_ save_conditions_10 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_10 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 10 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 5.5 0.07 pH 7221 10 temperature 298 0.5 K 7221 10 stop_ save_ save_conditions_11 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_11 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 11 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 5.75 0.07 pH 7221 11 temperature 298 0.5 K 7221 11 stop_ save_ save_conditions_12 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_12 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 12 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 0.07 pH 7221 12 temperature 298 0.5 K 7221 12 stop_ save_ save_conditions_13 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_13 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 13 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 6.25 0.07 pH 7221 13 temperature 298 0.5 K 7221 13 stop_ save_ save_conditions_14 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_14 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 14 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.07 pH 7221 14 temperature 298 0.5 K 7221 14 stop_ save_ save_conditions_15 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_15 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 15 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' 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 6.75 0.07 pH 7221 15 temperature 298 0.5 K 7221 15 stop_ save_ save_conditions_16 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_16 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 16 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.07 pH 7221 16 temperature 298 0.5 K 7221 16 stop_ save_ save_conditions_17 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_17 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 17 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.25 0.07 pH 7221 17 temperature 298 0.5 K 7221 17 stop_ save_ save_conditions_18 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_18 _Sample_condition_list.Entry_ID 7221 _Sample_condition_list.ID 18 _Sample_condition_list.Details 'samples made up in 10% D2O, 0.02 % (w/v) sodium azide' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.07 pH 7221 18 temperature 298 0.5 K 7221 18 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz _NMR_spectrometer.Entry_ID 7221 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer GE _NMR_spectrometer.Model Omega _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7221 _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 1H15N_HSQC_(example) no 1 $1H15N_HSQC_(example) . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz . . . . . . . . . . . . . . . . 7221 1 stop_ save_ save_1H15N_HSQC_(example) _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC_(example) _NMR_spec_expt.Entry_ID 7221 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC (example)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7221 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7221 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7221 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 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 VAL H H 1 8.523 0.02 . 1 . . . . 2 VAL HN . 7221 1 2 . 1 1 2 2 VAL N N 15 122.827 0.002 . 1 . . . . 2 VAL N . 7221 1 3 . 1 1 3 3 TYR H H 1 8.764 0.02 . 1 . . . . 3 TYR HN . 7221 1 4 . 1 1 3 3 TYR N N 15 120.229 0.002 . 1 . . . . 3 TYR N . 7221 1 5 . 1 1 4 4 HIS H H 1 9.473 0.02 . 1 . . . . 4 HIS HN . 7221 1 6 . 1 1 4 4 HIS N N 15 121.934 0.002 . 1 . . . . 4 HIS N . 7221 1 7 . 1 1 5 5 ARG H H 1 8.816 0.02 . 1 . . . . 5 ARG HN . 7221 1 8 . 1 1 5 5 ARG HE H 1 8.370 0.02 . 1 . . . . 5 ARG HE . 7221 1 9 . 1 1 6 6 GLU H H 1 8.277 0.02 . 1 . . . . 6 GLU HN . 7221 1 10 . 1 1 7 7 ALA H H 1 8.620 0.02 . 1 . . . . 7 ALA HN . 7221 1 11 . 1 1 7 7 ALA N N 15 123.254 0.002 . 1 . . . . 7 ALA N . 7221 1 12 . 1 1 10 10 GLY N N 15 109.217 0.002 . 1 . . . . 10 GLY N . 7221 1 13 . 1 1 11 11 LYS H H 1 8.159 0.02 . 1 . . . . 11 LYS HN . 7221 1 14 . 1 1 12 12 TYR H H 1 9.728 0.02 . 1 . . . . 12 TYR HN . 7221 1 15 . 1 1 12 12 TYR N N 15 122.484 0.002 . 1 . . . . 12 TYR N . 7221 1 16 . 1 1 13 13 LYS H H 1 8.414 0.02 . 1 . . . . 13 LYS HN . 7221 1 17 . 1 1 14 14 LEU H H 1 9.472 0.02 . 1 . . . . 14 LEU HN . 7221 1 18 . 1 1 14 14 LEU N N 15 122.545 0.002 . 1 . . . . 14 LEU N . 7221 1 19 . 1 1 15 15 THR H H 1 8.281 0.02 . 1 . . . . 15 THR HN . 7221 1 20 . 1 1 15 15 THR N N 15 115.362 0.002 . 1 . . . . 15 THR N . 7221 1 21 . 1 1 18 18 GLU N N 15 117.097 0.002 . 1 . . . . 18 GLU N . 7221 1 22 . 1 1 20 20 LYS H H 1 8.165 0.02 . 1 . . . . 20 LYS HN . 7221 1 23 . 1 1 21 21 ALA H H 1 7.361 0.02 . 1 . . . . 21 ALA HN . 7221 1 24 . 1 1 21 21 ALA N N 15 118.187 0.002 . 1 . . . . 21 ALA N . 7221 1 25 . 1 1 25 25 PHE H H 1 8.840 0.02 . 1 . . . . 25 PHE HN . 7221 1 26 . 1 1 27 27 GLY H H 1 7.816 0.02 . 1 . . . . 27 GLY HN . 7221 1 27 . 1 1 28 28 GLY H H 1 7.707 0.02 . 1 . . . . 28 GLY HN . 7221 1 28 . 1 1 28 28 GLY N N 15 108.717 0.002 . 1 . . . . 28 GLY N . 7221 1 29 . 1 1 29 29 HIS H H 1 8.463 0.02 . 1 . . . . 29 HIS HN . 7221 1 30 . 1 1 29 29 HIS N N 15 115.720 0.002 . 1 . . . . 29 HIS N . 7221 1 31 . 1 1 30 30 LEU H H 1 9.399 0.02 . 1 . . . . 30 LEU HN . 7221 1 32 . 1 1 30 30 LEU N N 15 124.226 0.002 . 1 . . . . 30 LEU N . 7221 1 33 . 1 1 34 34 LYS N N 15 116.968 0.002 . 1 . . . . 34 LYS N . 7221 1 34 . 1 1 35 35 GLN HE21 H 1 6.728 0.02 . 1 . . . . 35 GLN HE21 . 7221 1 35 . 1 1 35 35 GLN HE22 H 1 5.320 0.02 . 1 . . . . 35 GLN HE22 . 7221 1 36 . 1 1 35 35 GLN NE2 N 15 107.261 0.002 . 1 . . . . 35 GLN NE2 . 7221 1 37 . 1 1 37 37 GLU N N 15 119.883 0.002 . 1 . . . . 37 GLU N . 7221 1 38 . 1 1 38 38 ALA N N 15 121.758 0.002 . 1 . . . . 38 ALA N . 7221 1 39 . 1 1 39 39 ALA H H 1 7.635 0.02 . 1 . . . . 39 ALA HN . 7221 1 40 . 1 1 40 40 ARG H H 1 8.700 0.02 . 1 . . . . 40 ARG HN . 7221 1 41 . 1 1 40 40 ARG HE H 1 9.150 0.02 . 1 . . . . 40 ARG HE . 7221 1 42 . 1 1 40 40 ARG N N 15 123.742 0.002 . 1 . . . . 40 ARG N . 7221 1 43 . 1 1 42 42 ILE H H 1 7.289 0.02 . 1 . . . . 42 ILE HN . 7221 1 44 . 1 1 44 44 PHE H H 1 8.108 0.02 . 1 . . . . 44 PHE HN . 7221 1 45 . 1 1 47 47 CYS H H 1 8.663 0.02 . 1 . . . . 47 CYS HN . 7221 1 46 . 1 1 47 47 CYS N N 15 127.510 0.002 . 1 . . . . 47 CYS N . 7221 1 47 . 1 1 48 48 ALA N N 15 120.607 0.002 . 1 . . . . 48 ALA N . 7221 1 48 . 1 1 49 49 ALA H H 1 8.452 0.02 . 1 . . . . 49 ALA HN . 7221 1 49 . 1 1 49 49 ALA N N 15 130.949 0.002 . 1 . . . . 49 ALA N . 7221 1 50 . 1 1 50 50 GLY H H 1 8.769 0.02 . 1 . . . . 50 GLY HN . 7221 1 51 . 1 1 52 52 MET H H 1 9.141 0.02 . 1 . . . . 52 MET HN . 7221 1 52 . 1 1 52 52 MET N N 15 119.027 0.002 . 1 . . . . 52 MET N . 7221 1 53 . 1 1 54 54 LYS H H 1 8.848 0.02 . 1 . . . . 54 LYS HN . 7221 1 54 . 1 1 56 56 ARG HE H 1 7.876 0.02 . 1 . . . . 56 ARG HE . 7221 1 55 . 1 1 69 69 GLY N N 15 113.465 0.002 . 1 . . . . 69 GLY N . 7221 1 56 . 1 1 70 70 PHE N N 15 112.375 0.002 . 1 . . . . 70 PHE N . 7221 1 57 . 1 1 71 71 GLY H H 1 7.479 0.02 . 1 . . . . 71 GLY HN . 7221 1 58 . 1 1 72 72 LYS H H 1 7.041 0.02 . 1 . . . . 72 LYS HN . 7221 1 59 . 1 1 74 74 GLY N N 15 108.973 0.002 . 1 . . . . 74 GLY N . 7221 1 60 . 1 1 77 77 ASP H H 1 8.133 0.02 . 1 . . . . 77 ASP HN . 7221 1 61 . 1 1 81 81 ARG HE H 1 9.792 0.02 . 1 . . . . 81 ARG HE . 7221 1 62 . 1 1 90 90 ALA N N 15 120.912 0.002 . 1 . . . . 90 ALA N . 7221 1 63 . 1 1 91 91 TYR N N 15 118.590 0.002 . 1 . . . . 91 TYR N . 7221 1 64 . 1 1 94 94 ASN HD21 H 1 7.408 0.02 . 1 . . . . 94 ASN HD21 . 7221 1 65 . 1 1 94 94 ASN HD22 H 1 6.902 0.02 . 1 . . . . 94 ASN HD22 . 7221 1 66 . 1 1 94 94 ASN N N 15 124.785 0.002 . 1 . . . . 94 ASN N . 7221 1 67 . 1 1 94 94 ASN ND2 N 15 113.627 0.002 . 1 . . . . 94 ASN ND2 . 7221 1 68 . 1 1 96 96 HIS H H 1 8.381 0.02 . 1 . . . . 96 HIS HN . 7221 1 69 . 1 1 96 96 HIS N N 15 116.073 0.002 . 1 . . . . 96 HIS N . 7221 1 70 . 1 1 97 97 ALA H H 1 7.561 0.02 . 1 . . . . 97 ALA HN . 7221 1 71 . 1 1 98 98 LYS H H 1 8.130 0.02 . 1 . . . . 98 LYS HN . 7221 1 72 . 1 1 98 98 LYS N N 15 125.980 0.002 . 1 . . . . 98 LYS N . 7221 1 stop_ save_ save_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 2 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 VAL H H 1 8.523 0.02 . 1 . . . . 2 VAL HN . 7221 2 2 . 1 1 2 2 VAL N N 15 122.900 0.002 . 1 . . . . 2 VAL N . 7221 2 3 . 1 1 3 3 TYR H H 1 8.760 0.02 . 1 . . . . 3 TYR HN . 7221 2 4 . 1 1 3 3 TYR N N 15 120.229 0.002 . 1 . . . . 3 TYR N . 7221 2 5 . 1 1 4 4 HIS H H 1 9.471 0.02 . 1 . . . . 4 HIS HN . 7221 2 6 . 1 1 4 4 HIS N N 15 121.934 0.002 . 1 . . . . 4 HIS N . 7221 2 7 . 1 1 5 5 ARG H H 1 8.822 0.02 . 1 . . . . 5 ARG HN . 7221 2 8 . 1 1 5 5 ARG HE H 1 8.370 0.02 . 1 . . . . 5 ARG HE . 7221 2 9 . 1 1 6 6 GLU H H 1 8.282 0.02 . 1 . . . . 6 GLU HN . 7221 2 10 . 1 1 7 7 ALA H H 1 8.638 0.02 . 1 . . . . 7 ALA HN . 7221 2 11 . 1 1 7 7 ALA N N 15 123.278 0.002 . 1 . . . . 7 ALA N . 7221 2 12 . 1 1 10 10 GLY N N 15 109.241 0.002 . 1 . . . . 10 GLY N . 7221 2 13 . 1 1 11 11 LYS H H 1 8.145 0.02 . 1 . . . . 11 LYS HN . 7221 2 14 . 1 1 12 12 TYR H H 1 9.743 0.02 . 1 . . . . 12 TYR HN . 7221 2 15 . 1 1 12 12 TYR N N 15 122.547 0.002 . 1 . . . . 12 TYR N . 7221 2 16 . 1 1 13 13 LYS H H 1 8.410 0.02 . 1 . . . . 13 LYS HN . 7221 2 17 . 1 1 14 14 LEU H H 1 9.488 0.02 . 1 . . . . 14 LEU HN . 7221 2 18 . 1 1 14 14 LEU N N 15 122.661 0.002 . 1 . . . . 14 LEU N . 7221 2 19 . 1 1 15 15 THR H H 1 8.351 0.02 . 1 . . . . 15 THR HN . 7221 2 20 . 1 1 15 15 THR N N 15 115.439 0.002 . 1 . . . . 15 THR N . 7221 2 21 . 1 1 18 18 GLU N N 15 117.164 0.002 . 1 . . . . 18 GLU N . 7221 2 22 . 1 1 20 20 LYS H H 1 8.197 0.02 . 1 . . . . 20 LYS HN . 7221 2 23 . 1 1 21 21 ALA H H 1 7.382 0.02 . 1 . . . . 21 ALA HN . 7221 2 24 . 1 1 21 21 ALA N N 15 118.048 0.002 . 1 . . . . 21 ALA N . 7221 2 25 . 1 1 25 25 PHE H H 1 8.840 0.02 . 1 . . . . 25 PHE HN . 7221 2 26 . 1 1 27 27 GLY H H 1 7.796 0.02 . 1 . . . . 27 GLY HN . 7221 2 27 . 1 1 28 28 GLY H H 1 7.726 0.02 . 1 . . . . 28 GLY HN . 7221 2 28 . 1 1 28 28 GLY N N 15 108.912 0.002 . 1 . . . . 28 GLY N . 7221 2 29 . 1 1 29 29 HIS H H 1 8.463 0.02 . 1 . . . . 29 HIS HN . 7221 2 30 . 1 1 29 29 HIS N N 15 115.720 0.002 . 1 . . . . 29 HIS N . 7221 2 31 . 1 1 30 30 LEU H H 1 9.399 0.02 . 1 . . . . 30 LEU HN . 7221 2 32 . 1 1 30 30 LEU N N 15 124.197 0.002 . 1 . . . . 30 LEU N . 7221 2 33 . 1 1 34 34 LYS N N 15 116.779 0.002 . 1 . . . . 34 LYS N . 7221 2 34 . 1 1 35 35 GLN HE21 H 1 5.320 0.02 . 1 . . . . 35 GLN HE21 . 7221 2 35 . 1 1 35 35 GLN HE22 H 1 6.733 0.02 . 1 . . . . 35 GLN HE22 . 7221 2 36 . 1 1 35 35 GLN NE2 N 15 107.253 0.002 . 1 . . . . 35 GLN NE2 . 7221 2 37 . 1 1 37 37 GLU N N 15 120.066 0.002 . 1 . . . . 37 GLU N . 7221 2 38 . 1 1 38 38 ALA N N 15 121.658 0.002 . 1 . . . . 38 ALA N . 7221 2 39 . 1 1 39 39 ALA H H 1 7.614 0.02 . 1 . . . . 39 ALA HN . 7221 2 40 . 1 1 40 40 ARG H H 1 9.150 0.02 . 1 . . . . 40 ARG HN . 7221 2 41 . 1 1 40 40 ARG HE H 1 8.727 0.02 . 1 . . . . 40 ARG HE . 7221 2 42 . 1 1 40 40 ARG N N 15 123.983 0.002 . 1 . . . . 40 ARG N . 7221 2 43 . 1 1 42 42 ILE H H 1 7.295 0.02 . 1 . . . . 42 ILE HN . 7221 2 44 . 1 1 44 44 PHE H H 1 8.103 0.02 . 1 . . . . 44 PHE HN . 7221 2 45 . 1 1 47 47 CYS H H 1 8.663 0.02 . 1 . . . . 47 CYS HN . 7221 2 46 . 1 1 47 47 CYS N N 15 127.522 0.002 . 1 . . . . 47 CYS N . 7221 2 47 . 1 1 48 48 ALA N N 15 120.595 0.002 . 1 . . . . 48 ALA N . 7221 2 48 . 1 1 49 49 ALA H H 1 8.435 0.02 . 1 . . . . 49 ALA HN . 7221 2 49 . 1 1 49 49 ALA N N 15 130.913 0.002 . 1 . . . . 49 ALA N . 7221 2 50 . 1 1 50 50 GLY H H 1 8.766 0.02 . 1 . . . . 50 GLY HN . 7221 2 51 . 1 1 52 52 MET H H 1 9.148 0.02 . 1 . . . . 52 MET HN . 7221 2 52 . 1 1 52 52 MET N N 15 119.017 0.002 . 1 . . . . 52 MET N . 7221 2 53 . 1 1 54 54 LYS H H 1 8.863 0.02 . 1 . . . . 54 LYS HN . 7221 2 54 . 1 1 56 56 ARG HE H 1 7.895 0.02 . 1 . . . . 56 ARG HE . 7221 2 55 . 1 1 69 69 GLY N N 15 113.465 0.002 . 1 . . . . 69 GLY N . 7221 2 56 . 1 1 70 70 PHE N N 15 112.145 0.002 . 1 . . . . 70 PHE N . 7221 2 57 . 1 1 71 71 GLY H H 1 7.457 0.02 . 1 . . . . 71 GLY HN . 7221 2 58 . 1 1 72 72 LYS H H 1 7.028 0.02 . 1 . . . . 72 LYS HN . 7221 2 59 . 1 1 74 74 GLY N N 15 109.048 0.002 . 1 . . . . 74 GLY N . 7221 2 60 . 1 1 77 77 ASP H H 1 8.098 0.02 . 1 . . . . 77 ASP HN . 7221 2 61 . 1 1 81 81 ARG HE H 1 9.792 0.02 . 1 . . . . 81 ARG HE . 7221 2 62 . 1 1 90 90 ALA N N 15 120.969 0.002 . 1 . . . . 90 ALA N . 7221 2 63 . 1 1 91 91 TYR N N 15 118.569 0.002 . 1 . . . . 91 TYR N . 7221 2 64 . 1 1 94 94 ASN HD21 H 1 7.408 0.02 . 1 . . . . 94 ASN HD21 . 7221 2 65 . 1 1 94 94 ASN HD22 H 1 6.917 0.02 . 1 . . . . 94 ASN HD22 . 7221 2 66 . 1 1 94 94 ASN N N 15 24.785 0.002 . 1 . . . . 94 ASN N . 7221 2 67 . 1 1 94 94 ASN ND2 N 15 113.627 0.002 . 1 . . . . 94 ASN ND2 . 7221 2 68 . 1 1 96 96 HIS H H 1 8.395 0.02 . 1 . . . . 96 HIS HN . 7221 2 69 . 1 1 96 96 HIS N N 15 115.992 0.002 . 1 . . . . 96 HIS N . 7221 2 70 . 1 1 97 97 ALA H H 1 7.525 0.02 . 1 . . . . 97 ALA HN . 7221 2 71 . 1 1 98 98 LYS H H 1 8.105 0.02 . 1 . . . . 98 LYS HN . 7221 2 72 . 1 1 98 98 LYS N N 15 126.414 0.002 . 1 . . . . 98 LYS N . 7221 2 stop_ save_ save_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_3 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 3 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 VAL N N 15 122.900 0.002 . 1 . . . . 2 VAL N . 7221 3 2 . 1 1 2 2 VAL H H 1 8.523 0.02 . 1 . . . . 2 VAL HN . 7221 3 3 . 1 1 3 3 TYR N N 15 120.229 0.002 . 1 . . . . 3 TYR N . 7221 3 4 . 1 1 3 3 TYR H H 1 8.752 0.02 . 1 . . . . 3 TYR HN . 7221 3 5 . 1 1 4 4 HIS N N 15 120.934 0.002 . 1 . . . . 4 HIS N . 7221 3 6 . 1 1 4 4 HIS H H 1 9.467 0.02 . 1 . . . . 4 HIS HN . 7221 3 7 . 1 1 5 5 ARG H H 1 8.831 0.02 . 1 . . . . 5 ARG HN . 7221 3 8 . 1 1 5 5 ARG HE H 1 8.515 0.02 . 1 . . . . 5 ARG HE . 7221 3 9 . 1 1 6 6 GLU H H 1 8.282 0.02 . 1 . . . . 6 GLU HN . 7221 3 10 . 1 1 7 7 ALA N N 15 123.368 0.002 . 1 . . . . 7 ALA N . 7221 3 11 . 1 1 7 7 ALA H H 1 8.663 0.02 . 1 . . . . 7 ALA HN . 7221 3 12 . 1 1 10 10 GLY N N 15 109.278 0.002 . 1 . . . . 10 GLY N . 7221 3 13 . 1 1 11 11 LYS H H 1 8.134 0.02 . 1 . . . . 11 LYS HN . 7221 3 14 . 1 1 12 12 TYR N N 15 122.617 0.002 . 1 . . . . 12 TYR N . 7221 3 15 . 1 1 12 12 TYR H H 1 9.763 0.02 . 1 . . . . 12 TYR HN . 7221 3 16 . 1 1 13 13 LYS H H 1 8.417 0.02 . 1 . . . . 13 LYS HN . 7221 3 17 . 1 1 14 14 LEU N N 15 122.792 0.002 . 1 . . . . 14 LEU N . 7221 3 18 . 1 1 14 14 LEU H H 1 9.500 0.02 . 1 . . . . 14 LEU HN . 7221 3 19 . 1 1 15 15 THR N N 15 115.552 0.002 . 1 . . . . 15 THR N . 7221 3 20 . 1 1 15 15 THR H H 1 8.427 0.02 . 1 . . . . 15 THR HN . 7221 3 21 . 1 1 18 18 GLU N N 15 117.289 0.002 . 1 . . . . 18 GLU N . 7221 3 22 . 1 1 20 20 LYS H H 1 8.231 0.02 . 1 . . . . 20 LYS HN . 7221 3 23 . 1 1 21 21 ALA N N 15 117.919 0.002 . 1 . . . . 21 ALA N . 7221 3 24 . 1 1 21 21 ALA H H 1 7.401 0.02 . 1 . . . . 21 ALA HN . 7221 3 25 . 1 1 25 25 PHE H H 1 8.859 0.02 . 1 . . . . 25 PHE HN . 7221 3 26 . 1 1 27 27 GLY H H 1 7.774 0.02 . 1 . . . . 27 GLY HN . 7221 3 27 . 1 1 28 28 GLY N N 15 109.095 0.002 . 1 . . . . 28 GLY N . 7221 3 28 . 1 1 28 28 GLY H H 1 7.742 0.02 . 1 . . . . 28 GLY HN . 7221 3 29 . 1 1 29 29 HIS N N 15 115.720 0.002 . 1 . . . . 29 HIS N . 7221 3 30 . 1 1 29 29 HIS H H 1 8.463 0.02 . 1 . . . . 29 HIS HN . 7221 3 31 . 1 1 30 30 LEU N N 15 124.171 0.002 . 1 . . . . 30 LEU N . 7221 3 32 . 1 1 30 30 LEU H H 1 9.399 0.02 . 1 . . . . 30 LEU HN . 7221 3 33 . 1 1 34 34 LYS N N 15 116.691 0.002 . 1 . . . . 34 LYS N . 7221 3 34 . 1 1 35 35 GLN NE2 N 15 107.222 0.002 . 1 . . . . 35 GLN NE2 . 7221 3 35 . 1 1 35 35 GLN HE21 H 1 6.733 0.02 . 1 . . . . 35 GLN HE21 . 7221 3 36 . 1 1 35 35 GLN HE22 H 1 5.314 0.02 . 1 . . . . 35 GLN HE22 . 7221 3 37 . 1 1 37 37 GLU N N 15 120.066 0.002 . 1 . . . . 37 GLU N . 7221 3 38 . 1 1 38 38 ALA N N 15 121.558 0.002 . 1 . . . . 38 ALA N . 7221 3 39 . 1 1 39 39 ALA H H 1 7.594 0.02 . 1 . . . . 39 ALA HN . 7221 3 40 . 1 1 40 40 ARG N N 15 124.193 0.002 . 1 . . . . 40 ARG N . 7221 3 41 . 1 1 40 40 ARG H H 1 8.754 0.02 . 1 . . . . 40 ARG HN . 7221 3 42 . 1 1 40 40 ARG HE H 1 9.150 0.02 . 1 . . . . 40 ARG H . 7221 3 43 . 1 1 42 42 ILE H H 1 7.299 0.02 . 1 . . . . 42 ILE HN . 7221 3 44 . 1 1 44 44 PHE H H 1 8.093 0.02 . 1 . . . . 44 PHE HN . 7221 3 45 . 1 1 47 47 CYS N N 15 127.486 0.002 . 1 . . . . 47 CYS N . 7221 3 46 . 1 1 47 47 CYS H H 1 8.663 0.02 . 1 . . . . 47 CYS HN . 7221 3 47 . 1 1 48 48 ALA N N 15 120.571 0.002 . 1 . . . . 48 ALA N . 7221 3 48 . 1 1 49 49 ALA N N 15 130.913 0.002 . 1 . . . . 49 ALA N . 7221 3 49 . 1 1 49 49 ALA H H 1 8.418 0.02 . 1 . . . . 49 ALA HN . 7221 3 50 . 1 1 50 50 GLY H H 1 8.765 0.02 . 1 . . . . 50 GLY HN . 7221 3 51 . 1 1 52 52 MET N N 15 119.017 0.002 . 1 . . . . 52 MET N . 7221 3 52 . 1 1 52 52 MET H H 1 9.148 0.02 . 1 . . . . 52 MET HN . 7221 3 53 . 1 1 54 54 LYS H H 1 8.879 0.02 . 1 . . . . 54 LYS HN . 7221 3 54 . 1 1 56 56 ARG HE H 1 7.913 0.02 . 1 . . . . 56 ARG HE . 7221 3 55 . 1 1 69 69 GLY N N 15 113.671 0.002 . 1 . . . . 69 GLY N . 7221 3 56 . 1 1 70 70 PHE N N 15 111.950 0.002 . 1 . . . . 70 PHE N . 7221 3 57 . 1 1 71 71 GLY H H 1 7.433 0.02 . 1 . . . . 71 GLY HN . 7221 3 58 . 1 1 72 72 LYS H H 1 7.011 0.02 . 1 . . . . 72 LYS HN . 7221 3 59 . 1 1 74 74 GLY N N 15 109.170 0.002 . 1 . . . . 74 GLY N . 7221 3 60 . 1 1 77 77 ASP H H 1 8.059 0.02 . 1 . . . . 77 ASP HN . 7221 3 61 . 1 1 81 81 ARG HE H 1 9.845 0.02 . 1 . . . . 81 ARG HE . 7221 3 62 . 1 1 90 90 ALA N N 15 120.983 0.002 . 1 . . . . 90 ALA N . 7221 3 63 . 1 1 91 91 TYR N N 15 118.516 0.002 . 1 . . . . 91 TYR N . 7221 3 64 . 1 1 94 94 ASN N N 15 124.732 0.002 . 1 . . . . 94 ASN N . 7221 3 65 . 1 1 94 94 ASN ND2 N 15 113.627 0.002 . 1 . . . . 94 ASN ND2 . 7221 3 66 . 1 1 94 94 ASN HD21 H 1 7.408 0.02 . 1 . . . . 94 ASN HD21 . 7221 3 67 . 1 1 94 94 ASN HD22 H 1 6.917 0.02 . 1 . . . . 94 ASN HD22 . 7221 3 68 . 1 1 96 96 HIS N N 15 115.962 0.002 . 1 . . . . 96 HIS N . 7221 3 69 . 1 1 96 96 HIS H H 1 8.406 0.02 . 1 . . . . 96 HIS HN . 7221 3 70 . 1 1 97 97 ALA H H 1 7.494 0.02 . 1 . . . . 97 ALA HN . 7221 3 71 . 1 1 98 98 LYS H H 1 8.087 0.02 . 1 . . . . 98 LYS HN . 7221 3 72 . 1 1 98 98 LYS N N 15 126.818 0.002 . 1 . . . . 98 LYS N . 7221 3 stop_ save_ save_chem_shift_list_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_4 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_4 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 4 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 VAL N N 15 122.900 0.002 . 1 . . . . 2 VAL N . 7221 4 2 . 1 1 2 2 VAL H H 1 8.523 0.02 . 1 . . . . 2 VAL HN . 7221 4 3 . 1 1 3 3 TYR N N 15 120.229 0.002 . 1 . . . . 3 TYR N . 7221 4 4 . 1 1 3 3 TYR H H 1 8.756 0.02 . 1 . . . . 3 TYR HN . 7221 4 5 . 1 1 4 4 HIS N N 15 120.934 0.002 . 1 . . . . 4 HIS N . 7221 4 6 . 1 1 4 4 HIS H H 1 9.470 0.02 . 1 . . . . 4 HIS HN . 7221 4 7 . 1 1 5 5 ARG H H 1 8.841 0.02 . 1 . . . . 5 ARG HN . 7221 4 8 . 1 1 5 5 ARG HE H 1 8.633 0.02 . 1 . . . . 5 ARG HE . 7221 4 9 . 1 1 6 6 GLU H H 1 8.287 0.02 . 1 . . . . 6 GLU HN . 7221 4 10 . 1 1 7 7 ALA N N 15 123.409 0.002 . 1 . . . . 7 ALA N . 7221 4 11 . 1 1 7 7 ALA H H 1 8.687 0.02 . 1 . . . . 7 ALA HN . 7221 4 12 . 1 1 10 10 GLY N N 15 109.363 0.002 . 1 . . . . 10 GLY N . 7221 4 13 . 1 1 11 11 LYS H H 1 8.127 0.02 . 1 . . . . 11 LYS HN . 7221 4 14 . 1 1 12 12 TYR N N 15 122.669 0.002 . 1 . . . . 12 TYR N . 7221 4 15 . 1 1 12 12 TYR H H 1 9.783 0.02 . 1 . . . . 12 TYR HN . 7221 4 16 . 1 1 13 13 LYS H H 1 8.430 0.02 . 1 . . . . 13 LYS HN . 7221 4 17 . 1 1 14 14 LEU N N 15 122.900 0.002 . 1 . . . . 14 LEU N . 7221 4 18 . 1 1 14 14 LEU H H 1 9.511 0.02 . 1 . . . . 14 LEU HN . 7221 4 19 . 1 1 15 15 THR N N 15 115.729 0.002 . 1 . . . . 15 THR N . 7221 4 20 . 1 1 15 15 THR H H 1 8.534 0.02 . 1 . . . . 15 THR HN . 7221 4 21 . 1 1 18 18 GLU N N 15 117.383 0.002 . 1 . . . . 18 GLU N . 7221 4 22 . 1 1 20 20 LYS H H 1 8.252 0.02 . 1 . . . . 20 LYS HN . 7221 4 23 . 1 1 21 21 ALA N N 15 117.833 0.002 . 1 . . . . 21 ALA N . 7221 4 24 . 1 1 21 21 ALA H H 1 7.420 0.02 . 1 . . . . 21 ALA HN . 7221 4 25 . 1 1 25 25 PHE H H 1 8.914 0.02 . 1 . . . . 25 PHE HN . 7221 4 26 . 1 1 27 27 GLY H H 1 7.764 0.02 . 1 . . . . 27 GLY HN . 7221 4 27 . 1 1 28 28 GLY N N 15 109.205 0.002 . 1 . . . . 28 GLY N . 7221 4 28 . 1 1 28 28 GLY H H 1 7.760 0.02 . 1 . . . . 28 GLY HN . 7221 4 29 . 1 1 29 29 HIS N N 15 115.718 0.002 . 1 . . . . 29 HIS N . 7221 4 30 . 1 1 29 29 HIS H H 1 8.463 0.02 . 1 . . . . 29 HIS HN . 7221 4 31 . 1 1 30 30 LEU N N 15 124.132 0.002 . 1 . . . . 30 LEU N . 7221 4 32 . 1 1 30 30 LEU H H 1 9.399 0.02 . 1 . . . . 30 LEU HN . 7221 4 33 . 1 1 34 34 LYS N N 15 116.605 0.002 . 1 . . . . 34 LYS N . 7221 4 34 . 1 1 35 35 GLN NE2 N 15 107.230 0.002 . 1 . . . . 35 GLN NE2 . 7221 4 35 . 1 1 35 35 GLN HE21 H 1 6.733 0.02 . 1 . . . . 35 GLN HE21 . 7221 4 36 . 1 1 35 35 GLN HE22 H 1 5.315 0.02 . 1 . . . . 35 GLN HE22 . 7221 4 37 . 1 1 37 37 GLU N N 15 120.189 0.002 . 1 . . . . 37 GLU N . 7221 4 38 . 1 1 38 38 ALA N N 15 121.502 0.002 . 1 . . . . 38 ALA N . 7221 4 39 . 1 1 39 39 ALA H H 1 7.591 0.02 . 1 . . . . 39 ALA HN . 7221 4 40 . 1 1 40 40 ARG N N 15 124.413 0.002 . 1 . . . . 40 ARG N . 7221 4 41 . 1 1 40 40 ARG H H 1 8.776 0.02 . 1 . . . . 40 ARG HN . 7221 4 42 . 1 1 40 40 ARG HE H 1 9.271 0.02 . 1 . . . . 40 ARG H . 7221 4 43 . 1 1 42 42 ILE H H 1 7.308 0.02 . 1 . . . . 42 ILE HN . 7221 4 44 . 1 1 44 44 PHE H H 1 8.085 0.02 . 1 . . . . 44 PHE HN . 7221 4 45 . 1 1 47 47 CYS N N 15 127.461 0.002 . 1 . . . . 47 CYS N . 7221 4 46 . 1 1 47 47 CYS H H 1 8.663 0.02 . 1 . . . . 47 CYS HN . 7221 4 47 . 1 1 48 48 ALA N N 15 120.595 0.002 . 1 . . . . 48 ALA N . 7221 4 48 . 1 1 49 49 ALA N N 15 130.900 0.002 . 1 . . . . 49 ALA N . 7221 4 49 . 1 1 49 49 ALA H H 1 8.406 0.02 . 1 . . . . 49 ALA HN . 7221 4 50 . 1 1 50 50 GLY H H 1 8.765 0.02 . 1 . . . . 50 GLY HN . 7221 4 51 . 1 1 52 52 MET N N 15 118.962 0.002 . 1 . . . . 52 MET N . 7221 4 52 . 1 1 52 52 MET H H 1 9.155 0.02 . 1 . . . . 52 MET HN . 7221 4 53 . 1 1 54 54 LYS H H 1 8.893 0.02 . 1 . . . . 54 LYS HN . 7221 4 54 . 1 1 56 56 ARG HE H 1 7.916 0.02 . 1 . . . . 56 ARG HE . 7221 4 55 . 1 1 69 69 GLY N N 15 113.892 0.002 . 1 . . . . 69 GLY N . 7221 4 56 . 1 1 70 70 PHE N N 15 111.821 0.002 . 1 . . . . 70 PHE N . 7221 4 57 . 1 1 71 71 GLY H H 1 7.419 0.02 . 1 . . . . 71 GLY HN . 7221 4 58 . 1 1 72 72 LYS H H 1 7.004 0.02 . 1 . . . . 72 LYS HN . 7221 4 59 . 1 1 74 74 GLY N N 15 109.275 0.002 . 1 . . . . 74 GLY N . 7221 4 60 . 1 1 77 77 ASP H H 1 8.047 0.02 . 1 . . . . 77 ASP HN . 7221 4 61 . 1 1 81 81 ARG HE H 1 9.889 0.02 . 1 . . . . 81 ARG HE . 7221 4 62 . 1 1 90 90 ALA N N 15 120.997 0.002 . 1 . . . . 90 ALA N . 7221 4 63 . 1 1 91 91 TYR N N 15 118.516 0.002 . 1 . . . . 91 TYR N . 7221 4 64 . 1 1 94 94 ASN N N 15 124.743 0.002 . 1 . . . . 94 ASN N . 7221 4 65 . 1 1 94 94 ASN ND2 N 15 113.627 0.002 . 1 . . . . 94 ASN ND2 . 7221 4 66 . 1 1 94 94 ASN HD21 H 1 7.408 0.02 . 1 . . . . 94 ASN HD21 . 7221 4 67 . 1 1 94 94 ASN HD22 H 1 6.928 0.02 . 1 . . . . 94 ASN HD22 . 7221 4 68 . 1 1 96 96 HIS N N 15 115.926 0.002 . 1 . . . . 96 HIS N . 7221 4 69 . 1 1 96 96 HIS H H 1 8.420 0.02 . 1 . . . . 96 HIS HN . 7221 4 70 . 1 1 97 97 ALA H H 1 7.475 0.02 . 1 . . . . 97 ALA HN . 7221 4 71 . 1 1 98 98 LYS H H 1 8.081 0.02 . 1 . . . . 98 LYS HN . 7221 4 72 . 1 1 98 98 LYS N N 15 127.125 0.002 . 1 . . . . 98 LYS N . 7221 4 stop_ save_ save_chem_shift_list_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_5 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_5 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 5 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 VAL N N 15 122.900 0.002 . 1 . . . . 2 VAL N . 7221 5 2 . 1 1 2 2 VAL H H 1 8.523 0.02 . 1 . . . . 2 VAL HN . 7221 5 3 . 1 1 3 3 TYR N N 15 120.229 0.002 . 1 . . . . 3 TYR N . 7221 5 4 . 1 1 3 3 TYR H H 1 8.751 0.02 . 1 . . . . 3 TYR HN . 7221 5 5 . 1 1 4 4 HIS N N 15 120.909 0.002 . 1 . . . . 4 HIS N . 7221 5 6 . 1 1 4 4 HIS H H 1 9.459 0.02 . 1 . . . . 4 HIS HN . 7221 5 7 . 1 1 5 5 ARG H H 1 8.836 0.02 . 1 . . . . 5 ARG HN . 7221 5 8 . 1 1 5 5 ARG HE H 1 8.663 0.02 . 1 . . . . 5 ARG HE . 7221 5 9 . 1 1 6 6 GLU H H 1 8.278 0.02 . 1 . . . . 6 GLU HN . 7221 5 10 . 1 1 7 7 ALA N N 15 123.465 0.002 . 1 . . . . 7 ALA N . 7221 5 11 . 1 1 7 7 ALA H H 1 8.708 0.02 . 1 . . . . 7 ALA HN . 7221 5 12 . 1 1 10 10 GLY N N 15 109.400 0.002 . 1 . . . . 10 GLY N . 7221 5 13 . 1 1 11 11 LYS H H 1 8.108 0.02 . 1 . . . . 11 LYS HN . 7221 5 14 . 1 1 12 12 TYR N N 15 122.728 0.002 . 1 . . . . 12 TYR N . 7221 5 15 . 1 1 12 12 TYR H H 1 9.797 0.02 . 1 . . . . 12 TYR HN . 7221 5 16 . 1 1 13 13 LYS H H 1 8.435 0.02 . 1 . . . . 13 LYS HN . 7221 5 17 . 1 1 14 14 LEU N N 15 122.991 0.002 . 1 . . . . 14 LEU N . 7221 5 18 . 1 1 14 14 LEU H H 1 9.520 0.02 . 1 . . . . 14 LEU HN . 7221 5 19 . 1 1 15 15 THR N N 15 115.814 0.002 . 1 . . . . 15 THR N . 7221 5 20 . 1 1 15 15 THR H H 1 8.603 0.02 . 1 . . . . 15 THR HN . 7221 5 21 . 1 1 18 18 GLU N N 15 117.464 0.002 . 1 . . . . 18 GLU N . 7221 5 22 . 1 1 20 20 LYS H H 1 8.278 0.02 . 1 . . . . 20 LYS HN . 7221 5 23 . 1 1 21 21 ALA N N 15 117.760 0.002 . 1 . . . . 21 ALA N . 7221 5 24 . 1 1 21 21 ALA H H 1 7.421 0.02 . 1 . . . . 21 ALA HN . 7221 5 25 . 1 1 25 25 PHE H H 1 8.942 0.02 . 1 . . . . 25 PHE HN . 7221 5 26 . 1 1 27 27 GLY H H 1 7.751 0.02 . 1 . . . . 27 GLY HN . 7221 5 27 . 1 1 28 28 GLY N N 15 109.278 0.002 . 1 . . . . 28 GLY N . 7221 5 28 . 1 1 28 28 GLY H H 1 7.769 0.02 . 1 . . . . 28 GLY HN . 7221 5 29 . 1 1 29 29 HIS N N 15 115.799 0.002 . 1 . . . . 29 HIS N . 7221 5 30 . 1 1 29 29 HIS H H 1 8.463 0.02 . 1 . . . . 29 HIS HN . 7221 5 31 . 1 1 30 30 LEU N N 15 124.144 0.002 . 1 . . . . 30 LEU N . 7221 5 32 . 1 1 30 30 LEU H H 1 9.399 0.02 . 1 . . . . 30 LEU HN . 7221 5 33 . 1 1 34 34 LYS N N 15 116.605 0.002 . 1 . . . . 34 LYS N . 7221 5 34 . 1 1 35 35 GLN NE2 N 15 107.179 0.002 . 1 . . . . 35 GLN NE2 . 7221 5 35 . 1 1 35 35 GLN HE21 H 1 6.728 0.02 . 1 . . . . 35 GLN HE21 . 7221 5 36 . 1 1 35 35 GLN HE22 H 1 5.312 0.02 . 1 . . . . 35 GLN HE22 . 7221 5 37 . 1 1 37 37 GLU N N 15 120.376 0.002 . 1 . . . . 37 GLU N . 7221 5 38 . 1 1 38 38 ALA N N 15 121.424 0.002 . 1 . . . . 38 ALA N . 7221 5 39 . 1 1 39 39 ALA H H 1 7.568 0.02 . 1 . . . . 39 ALA HN . 7221 5 40 . 1 1 40 40 ARG N N 15 124.547 0.002 . 1 . . . . 40 ARG N . 7221 5 41 . 1 1 40 40 ARG H H 1 8.794 0.02 . 1 . . . . 40 ARG HN . 7221 5 42 . 1 1 40 40 ARG HE H 1 9.366 0.02 . 1 . . . . 40 ARG H . 7221 5 43 . 1 1 42 42 ILE H H 1 7.308 0.02 . 1 . . . . 42 ILE HN . 7221 5 44 . 1 1 44 44 PHE H H 1 8.075 0.02 . 1 . . . . 44 PHE HN . 7221 5 45 . 1 1 47 47 CYS N N 15 127.425 0.002 . 1 . . . . 47 CYS N . 7221 5 46 . 1 1 47 47 CYS H H 1 8.663 0.02 . 1 . . . . 47 CYS HN . 7221 5 47 . 1 1 48 48 ALA N N 15 120.595 0.002 . 1 . . . . 48 ALA N . 7221 5 48 . 1 1 49 49 ALA N N 15 130.852 0.002 . 1 . . . . 49 ALA N . 7221 5 49 . 1 1 49 49 ALA H H 1 8.393 0.02 . 1 . . . . 49 ALA HN . 7221 5 50 . 1 1 50 50 GLY H H 1 8.763 0.02 . 1 . . . . 50 GLY HN . 7221 5 51 . 1 1 52 52 MET N N 15 118.996 0.002 . 1 . . . . 52 MET N . 7221 5 52 . 1 1 52 52 MET H H 1 9.151 0.02 . 1 . . . . 52 MET HN . 7221 5 53 . 1 1 54 54 LYS H H 1 8.898 0.02 . 1 . . . . 54 LYS HN . 7221 5 54 . 1 1 56 56 ARG HE H 1 7.933 0.02 . 1 . . . . 56 ARG HE . 7221 5 55 . 1 1 69 69 GLY N N 15 113.994 0.002 . 1 . . . . 69 GLY N . 7221 5 56 . 1 1 70 70 PHE N N 15 111.685 0.002 . 1 . . . . 70 PHE N . 7221 5 57 . 1 1 71 71 GLY H H 1 7.406 0.02 . 1 . . . . 71 GLY HN . 7221 5 58 . 1 1 72 72 LYS H H 1 6.990 0.02 . 1 . . . . 72 LYS HN . 7221 5 59 . 1 1 74 74 GLY N N 15 109.375 0.002 . 1 . . . . 74 GLY N . 7221 5 60 . 1 1 77 77 ASP H H 1 8.022 0.02 . 1 . . . . 77 ASP HN . 7221 5 61 . 1 1 81 81 ARG HE H 1 9.883 0.02 . 1 . . . . 81 ARG HE . 7221 5 62 . 1 1 90 90 ALA N N 15 121.020 0.002 . 1 . . . . 90 ALA N . 7221 5 63 . 1 1 91 91 TYR N N 15 118.489 0.002 . 1 . . . . 91 TYR N . 7221 5 64 . 1 1 94 94 ASN N N 15 124.732 0.002 . 1 . . . . 94 ASN N . 7221 5 65 . 1 1 94 94 ASN ND2 N 15 113.627 0.002 . 1 . . . . 94 ASN ND2 . 7221 5 66 . 1 1 94 94 ASN HD21 H 1 7.408 0.02 . 1 . . . . 94 ASN HD21 . 7221 5 67 . 1 1 94 94 ASN HD22 H 1 6.919 0.02 . 1 . . . . 94 ASN HD22 . 7221 5 68 . 1 1 96 96 HIS N N 15 115.926 0.002 . 1 . . . . 96 HIS N . 7221 5 69 . 1 1 96 96 HIS H H 1 8.420 0.02 . 1 . . . . 96 HIS HN . 7221 5 70 . 1 1 97 97 ALA H H 1 7.465 0.02 . 1 . . . . 97 ALA HN . 7221 5 71 . 1 1 98 98 LYS H H 1 8.069 0.02 . 1 . . . . 98 LYS HN . 7221 5 72 . 1 1 98 98 LYS N N 15 127.271 0.002 . 1 . . . . 98 LYS N . 7221 5 stop_ save_ save_chem_shift_list_6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_6 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Sample_condition_list_ID 6 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_6 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 6 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 VAL N N 15 122.900 0.002 . 1 . . . . 2 VAL N . 7221 6 2 . 1 1 2 2 VAL H H 1 8.528 0.02 . 1 . . . . 2 VAL HN . 7221 6 3 . 1 1 3 3 TYR N N 15 120.229 0.002 . 1 . . . . 3 TYR N . 7221 6 4 . 1 1 3 3 TYR H H 1 8.751 0.02 . 1 . . . . 3 TYR HN . 7221 6 5 . 1 1 4 4 HIS N N 15 120.897 0.002 . 1 . . . . 4 HIS N . 7221 6 6 . 1 1 4 4 HIS H H 1 9.457 0.02 . 1 . . . . 4 HIS HN . 7221 6 7 . 1 1 5 5 ARG H H 1 8.838 0.02 . 1 . . . . 5 ARG HN . 7221 6 8 . 1 1 5 5 ARG HE H 1 8.714 0.02 . 1 . . . . 5 ARG HE . 7221 6 9 . 1 1 6 6 GLU H H 1 8.263 0.02 . 1 . . . . 6 GLU HN . 7221 6 10 . 1 1 7 7 ALA N N 15 123.522 0.002 . 1 . . . . 7 ALA N . 7221 6 11 . 1 1 7 7 ALA H H 1 8.739 0.02 . 1 . . . . 7 ALA HN . 7221 6 12 . 1 1 10 10 GLY N N 15 109.497 0.002 . 1 . . . . 10 GLY N . 7221 6 13 . 1 1 11 11 LYS H H 1 8.086 0.02 . 1 . . . . 11 LYS HN . 7221 6 14 . 1 1 12 12 TYR N N 15 122.803 0.002 . 1 . . . . 12 TYR N . 7221 6 15 . 1 1 12 12 TYR H H 1 9.814 0.02 . 1 . . . . 12 TYR HN . 7221 6 16 . 1 1 13 13 LYS H H 1 8.449 0.02 . 1 . . . . 13 LYS HN . 7221 6 17 . 1 1 14 14 LEU N N 15 123.132 0.002 . 1 . . . . 14 LEU N . 7221 6 18 . 1 1 14 14 LEU H H 1 9.532 0.02 . 1 . . . . 14 LEU HN . 7221 6 19 . 1 1 15 15 THR N N 15 115.971 0.002 . 1 . . . . 15 THR N . 7221 6 20 . 1 1 15 15 THR H H 1 8.709 0.02 . 1 . . . . 15 THR HN . 7221 6 21 . 1 1 18 18 GLU N N 15 117.598 0.002 . 1 . . . . 18 GLU N . 7221 6 22 . 1 1 20 20 LYS H H 1 8.285 0.02 . 1 . . . . 20 LYS HN . 7221 6 23 . 1 1 21 21 ALA N N 15 117.698 0.002 . 1 . . . . 21 ALA N . 7221 6 24 . 1 1 21 21 ALA H H 1 7.428 0.02 . 1 . . . . 21 ALA HN . 7221 6 25 . 1 1 25 25 PHE H H 1 8.979 0.02 . 1 . . . . 25 PHE HN . 7221 6 26 . 1 1 27 27 GLY H H 1 7.744 0.02 . 1 . . . . 27 GLY HN . 7221 6 27 . 1 1 28 28 GLY N N 15 109.375 0.002 . 1 . . . . 28 GLY N . 7221 6 28 . 1 1 28 28 GLY H H 1 7.779 0.02 . 1 . . . . 28 GLY HN . 7221 6 29 . 1 1 29 29 HIS N N 15 115.912 0.002 . 1 . . . . 29 HIS N . 7221 6 30 . 1 1 29 29 HIS H H 1 8.463 0.02 . 1 . . . . 29 HIS HN . 7221 6 31 . 1 1 30 30 LEU N N 15 124.144 0.002 . 1 . . . . 30 LEU N . 7221 6 32 . 1 1 30 30 LEU H H 1 9.399 0.02 . 1 . . . . 30 LEU HN . 7221 6 33 . 1 1 34 34 LYS N N 15 116.542 0.002 . 1 . . . . 34 LYS N . 7221 6 34 . 1 1 35 35 GLN NE2 N 15 107.179 0.002 . 1 . . . . 35 GLN NE2 . 7221 6 35 . 1 1 35 35 GLN HE21 H 1 6.728 0.02 . 1 . . . . 35 GLN HE21 . 7221 6 36 . 1 1 35 35 GLN HE22 H 1 5.312 0.02 . 1 . . . . 35 GLN HE22 . 7221 6 37 . 1 1 37 37 GLU N N 15 120.480 0.002 . 1 . . . . 37 GLU N . 7221 6 38 . 1 1 38 38 ALA N N 15 121.361 0.002 . 1 . . . . 38 ALA N . 7221 6 39 . 1 1 39 39 ALA H H 1 7.556 0.02 . 1 . . . . 39 ALA HN . 7221 6 40 . 1 1 40 40 ARG N N 15 124.593 0.002 . 1 . . . . 40 ARG N . 7221 6 41 . 1 1 40 40 ARG H H 1 8.806 0.02 . 1 . . . . 40 ARG HN . 7221 6 42 . 1 1 40 40 ARG HE H 1 9.450 0.02 . 1 . . . . 40 ARG H . 7221 6 43 . 1 1 42 42 ILE H H 1 7.311 0.02 . 1 . . . . 42 ILE HN . 7221 6 44 . 1 1 44 44 PHE H H 1 8.068 0.02 . 1 . . . . 44 PHE HN . 7221 6 45 . 1 1 47 47 CYS N N 15 127.400 0.002 . 1 . . . . 47 CYS N . 7221 6 46 . 1 1 47 47 CYS H H 1 8.664 0.02 . 1 . . . . 47 CYS HN . 7221 6 47 . 1 1 48 48 ALA N N 15 120.620 0.002 . 1 . . . . 48 ALA N . 7221 6 48 . 1 1 49 49 ALA N N 15 130.815 0.002 . 1 . . . . 49 ALA N . 7221 6 49 . 1 1 49 49 ALA H H 1 8.379 0.02 . 1 . . . . 49 ALA HN . 7221 6 50 . 1 1 50 50 GLY H H 1 8.762 0.02 . 1 . . . . 50 GLY HN . 7221 6 51 . 1 1 52 52 MET N N 15 118.954 0.002 . 1 . . . . 52 MET N . 7221 6 52 . 1 1 52 52 MET H H 1 9.153 0.02 . 1 . . . . 52 MET HN . 7221 6 53 . 1 1 54 54 LYS H H 1 8.904 0.02 . 1 . . . . 54 LYS HN . 7221 6 54 . 1 1 56 56 ARG HE H 1 7.940 0.02 . 1 . . . . 56 ARG HE . 7221 6 55 . 1 1 69 69 GLY N N 15 114.073 0.002 . 1 . . . . 69 GLY N . 7221 6 56 . 1 1 70 70 PHE N N 15 111.571 0.002 . 1 . . . . 70 PHE N . 7221 6 57 . 1 1 71 71 GLY H H 1 7.395 0.02 . 1 . . . . 71 GLY HN . 7221 6 58 . 1 1 72 72 LYS H H 1 6.980 0.02 . 1 . . . . 72 LYS HN . 7221 6 59 . 1 1 74 74 GLY N N 15 109.511 0.002 . 1 . . . . 74 GLY N . 7221 6 60 . 1 1 77 77 ASP H H 1 8.008 0.02 . 1 . . . . 77 ASP HN . 7221 6 61 . 1 1 81 81 ARG HE H 1 9.893 0.02 . 1 . . . . 81 ARG HE . 7221 6 62 . 1 1 90 90 ALA N N 15 121.020 0.002 . 1 . . . . 90 ALA N . 7221 6 63 . 1 1 91 91 TYR N N 15 118.426 0.002 . 1 . . . . 91 TYR N . 7221 6 64 . 1 1 94 94 ASN N N 15 124.705 0.002 . 1 . . . . 94 ASN N . 7221 6 65 . 1 1 94 94 ASN ND2 N 15 113.627 0.002 . 1 . . . . 94 ASN ND2 . 7221 6 66 . 1 1 94 94 ASN HD21 H 1 7.408 0.02 . 1 . . . . 94 ASN HD21 . 7221 6 67 . 1 1 94 94 ASN HD22 H 1 6.920 0.02 . 1 . . . . 94 ASN HD22 . 7221 6 68 . 1 1 96 96 HIS N N 15 115.948 0.002 . 1 . . . . 96 HIS N . 7221 6 69 . 1 1 96 96 HIS H H 1 8.420 0.02 . 1 . . . . 96 HIS HN . 7221 6 70 . 1 1 97 97 ALA H H 1 7.456 0.02 . 1 . . . . 97 ALA HN . 7221 6 71 . 1 1 98 98 LYS H H 1 8.064 0.02 . 1 . . . . 98 LYS HN . 7221 6 72 . 1 1 98 98 LYS N N 15 127.442 0.002 . 1 . . . . 98 LYS N . 7221 6 73 . 1 1 46 46 VAL N N 15 126.336 0.002 . 1 . . . . 46 VAL N . 7221 6 stop_ save_ save_chem_shift_list_7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_7 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Sample_condition_list_ID 7 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_7 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 7 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 VAL N N 15 122.912 0.002 . 1 . . . . 2 VAL N . 7221 7 2 . 1 1 2 2 VAL H H 1 8.523 0.02 . 1 . . . . 2 VAL HN . 7221 7 3 . 1 1 3 3 TYR N N 15 120.232 0.002 . 1 . . . . 3 TYR N . 7221 7 4 . 1 1 3 3 TYR H H 1 8.752 0.02 . 1 . . . . 3 TYR HN . 7221 7 5 . 1 1 4 4 HIS N N 15 120.896 0.002 . 1 . . . . 4 HIS N . 7221 7 6 . 1 1 4 4 HIS H H 1 9.453 0.02 . 1 . . . . 4 HIS HN . 7221 7 7 . 1 1 5 5 ARG H H 1 8.833 0.02 . 1 . . . . 5 ARG HN . 7221 7 8 . 1 1 5 5 ARG HE H 1 8.735 0.02 . 1 . . . . 5 ARG HE . 7221 7 9 . 1 1 6 6 GLU H H 1 8.258 0.02 . 1 . . . . 6 GLU HN . 7221 7 10 . 1 1 7 7 ALA N N 15 123.534 0.002 . 1 . . . . 7 ALA N . 7221 7 11 . 1 1 7 7 ALA H H 1 8.762 0.02 . 1 . . . . 7 ALA HN . 7221 7 12 . 1 1 10 10 GLY N N 15 109.534 0.002 . 1 . . . . 10 GLY N . 7221 7 13 . 1 1 11 11 LYS H H 1 8.077 0.02 . 1 . . . . 11 LYS HN . 7221 7 14 . 1 1 12 12 TYR N N 15 122.891 0.002 . 1 . . . . 12 TYR N . 7221 7 15 . 1 1 12 12 TYR H H 1 9.834 0.02 . 1 . . . . 12 TYR HN . 7221 7 16 . 1 1 13 13 LYS H H 1 8.462 0.02 . 1 . . . . 13 LYS HN . 7221 7 17 . 1 1 14 14 LEU N N 15 123.198 0.002 . 1 . . . . 14 LEU N . 7221 7 18 . 1 1 14 14 LEU H H 1 9.539 0.02 . 1 . . . . 14 LEU HN . 7221 7 19 . 1 1 15 15 THR N N 15 116.058 0.002 . 1 . . . . 15 THR N . 7221 7 20 . 1 1 15 15 THR H H 1 8.765 0.02 . 1 . . . . 15 THR HN . 7221 7 21 . 1 1 18 18 GLU N N 15 117.658 0.002 . 1 . . . . 18 GLU N . 7221 7 22 . 1 1 20 20 LYS H H 1 8.295 0.02 . 1 . . . . 20 LYS HN . 7221 7 23 . 1 1 21 21 ALA N N 15 117.686 0.002 . 1 . . . . 21 ALA N . 7221 7 24 . 1 1 21 21 ALA H H 1 7.435 0.02 . 1 . . . . 21 ALA HN . 7221 7 25 . 1 1 25 25 PHE H H 1 8.997 0.02 . 1 . . . . 25 PHE HN . 7221 7 26 . 1 1 27 27 GLY H H 1 7.739 0.02 . 1 . . . . 27 GLY HN . 7221 7 27 . 1 1 28 28 GLY N N 15 109.461 0.002 . 1 . . . . 28 GLY N . 7221 7 28 . 1 1 28 28 GLY H H 1 7.784 0.02 . 1 . . . . 28 GLY HN . 7221 7 29 . 1 1 29 29 HIS N N 15 115.963 0.002 . 1 . . . . 29 HIS N . 7221 7 30 . 1 1 29 29 HIS H H 1 8.462 0.02 . 1 . . . . 29 HIS HN . 7221 7 31 . 1 1 30 30 LEU N N 15 124.120 0.002 . 1 . . . . 30 LEU N . 7221 7 32 . 1 1 30 30 LEU H H 1 9.399 0.02 . 1 . . . . 30 LEU HN . 7221 7 33 . 1 1 34 34 LYS N N 15 116.542 0.002 . 1 . . . . 34 LYS N . 7221 7 34 . 1 1 35 35 GLN NE2 N 15 107.179 0.002 . 1 . . . . 35 GLN NE2 . 7221 7 35 . 1 1 35 35 GLN HE21 H 1 6.728 0.02 . 1 . . . . 35 GLN HE21 . 7221 7 36 . 1 1 35 35 GLN HE22 H 1 5.312 0.02 . 1 . . . . 35 GLN HE22 . 7221 7 37 . 1 1 37 37 GLU N N 15 120.543 0.002 . 1 . . . . 37 GLU N . 7221 7 38 . 1 1 38 38 ALA N N 15 121.329 0.002 . 1 . . . . 38 ALA N . 7221 7 39 . 1 1 39 39 ALA H H 1 7.556 0.02 . 1 . . . . 39 ALA HN . 7221 7 40 . 1 1 40 40 ARG N N 15 124.646 0.002 . 1 . . . . 40 ARG N . 7221 7 41 . 1 1 40 40 ARG H H 1 8.811 0.02 . 1 . . . . 40 ARG HN . 7221 7 42 . 1 1 40 40 ARG HE H 1 9.483 0.02 . 1 . . . . 40 ARG H . 7221 7 43 . 1 1 42 42 ILE H H 1 7.314 0.02 . 1 . . . . 42 ILE HN . 7221 7 44 . 1 1 44 44 PHE H H 1 8.066 0.02 . 1 . . . . 44 PHE HN . 7221 7 45 . 1 1 47 47 CYS N N 15 127.364 0.002 . 1 . . . . 47 CYS N . 7221 7 46 . 1 1 47 47 CYS H H 1 8.664 0.02 . 1 . . . . 47 CYS HN . 7221 7 47 . 1 1 48 48 ALA N N 15 120.656 0.002 . 1 . . . . 48 ALA N . 7221 7 48 . 1 1 49 49 ALA N N 15 130.778 0.002 . 1 . . . . 49 ALA N . 7221 7 49 . 1 1 49 49 ALA H H 1 8.376 0.02 . 1 . . . . 49 ALA HN . 7221 7 50 . 1 1 50 50 GLY H H 1 8.758 0.02 . 1 . . . . 50 GLY HN . 7221 7 51 . 1 1 52 52 MET N N 15 118.898 0.002 . 1 . . . . 52 MET N . 7221 7 52 . 1 1 52 52 MET H H 1 9.154 0.02 . 1 . . . . 52 MET HN . 7221 7 53 . 1 1 54 54 LYS H H 1 8.911 0.02 . 1 . . . . 54 LYS HN . 7221 7 54 . 1 1 56 56 ARG HE H 1 7.942 0.02 . 1 . . . . 56 ARG HE . 7221 7 55 . 1 1 69 69 GLY N N 15 114.252 0.002 . 1 . . . . 69 GLY N . 7221 7 56 . 1 1 70 70 PHE N N 15 111.529 0.002 . 1 . . . . 70 PHE N . 7221 7 57 . 1 1 71 71 GLY H H 1 7.389 0.02 . 1 . . . . 71 GLY HN . 7221 7 58 . 1 1 72 72 LYS H H 1 6.973 0.02 . 1 . . . . 72 LYS HN . 7221 7 59 . 1 1 74 74 GLY N N 15 109.553 0.002 . 1 . . . . 74 GLY N . 7221 7 60 . 1 1 77 77 ASP H H 1 7.999 0.02 . 1 . . . . 77 ASP HN . 7221 7 61 . 1 1 81 81 ARG HE H 1 9.889 0.02 . 1 . . . . 81 ARG HE . 7221 7 62 . 1 1 90 90 ALA N N 15 121.034 0.002 . 1 . . . . 90 ALA N . 7221 7 63 . 1 1 91 91 TYR N N 15 118.378 0.002 . 1 . . . . 91 TYR N . 7221 7 64 . 1 1 94 94 ASN N N 15 124.684 0.002 . 1 . . . . 94 ASN N . 7221 7 65 . 1 1 94 94 ASN ND2 N 15 113.627 0.002 . 1 . . . . 94 ASN ND2 . 7221 7 66 . 1 1 94 94 ASN HD21 H 1 7.408 0.02 . 1 . . . . 94 ASN HD21 . 7221 7 67 . 1 1 94 94 ASN HD22 H 1 6.924 0.02 . 1 . . . . 94 ASN HD22 . 7221 7 68 . 1 1 96 96 HIS N N 15 115.948 0.002 . 1 . . . . 96 HIS N . 7221 7 69 . 1 1 96 96 HIS H H 1 8.420 0.02 . 1 . . . . 96 HIS HN . 7221 7 70 . 1 1 97 97 ALA H H 1 7.449 0.02 . 1 . . . . 97 ALA HN . 7221 7 71 . 1 1 98 98 LYS N N 15 127.515 0.02 . 1 . . . . 98 LYS N . 7221 7 72 . 1 1 98 98 LYS H H 1 8.063 0.002 . 1 . . . . 98 LYS HN . 7221 7 73 . 1 1 46 46 VAL N N 15 126.359 0.002 . 1 . . . . 46 VAL N . 7221 7 74 . 1 1 63 63 LYS H H 1 7.581 0.02 . 1 . . . . 63 LYS HN . 7221 7 stop_ save_ save_chem_shift_list_8 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_8 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 8 _Assigned_chem_shift_list.Sample_condition_list_ID 8 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_8 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 8 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 VAL N N 15 122.912 0.002 . 1 . . . . 2 VAL N . 7221 8 2 . 1 1 2 2 VAL H H 1 8.523 0.02 . 1 . . . . 2 VAL HN . 7221 8 3 . 1 1 3 3 TYR N N 15 120.256 0.002 . 1 . . . . 3 TYR N . 7221 8 4 . 1 1 3 3 TYR H H 1 8.759 0.02 . 1 . . . . 3 TYR HN . 7221 8 5 . 1 1 4 4 HIS N N 15 120.917 0.002 . 1 . . . . 4 HIS N . 7221 8 6 . 1 1 4 4 HIS H H 1 9.451 0.02 . 1 . . . . 4 HIS HN . 7221 8 7 . 1 1 5 5 ARG H H 1 8.830 0.02 . 1 . . . . 5 ARG HN . 7221 8 8 . 1 1 5 5 ARG HE H 1 8.755 0.02 . 1 . . . . 5 ARG HE . 7221 8 9 . 1 1 6 6 GLU H H 1 8.254 0.02 . 1 . . . . 6 GLU HN . 7221 8 10 . 1 1 7 7 ALA N N 15 123.559 0.002 . 1 . . . . 7 ALA N . 7221 8 11 . 1 1 7 7 ALA H H 1 8.777 0.02 . 1 . . . . 7 ALA HN . 7221 8 12 . 1 1 10 10 GLY N N 15 109.570 0.002 . 1 . . . . 10 GLY N . 7221 8 13 . 1 1 11 11 LYS H H 1 8.068 0.02 . 1 . . . . 11 LYS HN . 7221 8 14 . 1 1 12 12 TYR N N 15 122.925 0.002 . 1 . . . . 12 TYR N . 7221 8 15 . 1 1 12 12 TYR H H 1 9.850 0.02 . 1 . . . . 12 TYR HN . 7221 8 16 . 1 1 13 13 LYS H H 1 8.469 0.02 . 1 . . . . 13 LYS HN . 7221 8 17 . 1 1 14 14 LEU N N 15 123.266 0.002 . 1 . . . . 14 LEU N . 7221 8 18 . 1 1 14 14 LEU H H 1 9.544 0.02 . 1 . . . . 14 LEU HN . 7221 8 19 . 1 1 15 15 THR N N 15 116.083 0.002 . 1 . . . . 15 THR N . 7221 8 20 . 1 1 15 15 THR H H 1 8.797 0.02 . 1 . . . . 15 THR HN . 7221 8 21 . 1 1 18 18 GLU N N 15 117.732 0.002 . 1 . . . . 18 GLU N . 7221 8 22 . 1 1 20 20 LYS H H 1 8.300 0.02 . 1 . . . . 20 LYS HN . 7221 8 23 . 1 1 21 21 ALA N N 15 117.674 0.002 . 1 . . . . 21 ALA N . 7221 8 24 . 1 1 21 21 ALA H H 1 7.436 0.02 . 1 . . . . 21 ALA HN . 7221 8 25 . 1 1 25 25 PHE H H 1 9.007 0.02 . 1 . . . . 25 PHE HN . 7221 8 26 . 1 1 27 27 GLY H H 1 7.739 0.02 . 1 . . . . 27 GLY HN . 7221 8 27 . 1 1 28 28 GLY N N 15 109.510 0.002 . 1 . . . . 28 GLY N . 7221 8 28 . 1 1 28 28 GLY H H 1 7.790 0.02 . 1 . . . . 28 GLY HN . 7221 8 29 . 1 1 29 29 HIS N N 15 116.034 0.002 . 1 . . . . 29 HIS N . 7221 8 30 . 1 1 29 29 HIS H H 1 8.464 0.02 . 1 . . . . 29 HIS HN . 7221 8 31 . 1 1 30 30 LEU N N 15 124.120 0.002 . 1 . . . . 30 LEU N . 7221 8 32 . 1 1 30 30 LEU H H 1 9.399 0.02 . 1 . . . . 30 LEU HN . 7221 8 33 . 1 1 34 34 LYS N N 15 116.542 0.002 . 1 . . . . 34 LYS N . 7221 8 34 . 1 1 35 35 GLN NE2 N 15 107.179 0.002 . 1 . . . . 35 GLN NE2 . 7221 8 35 . 1 1 35 35 GLN HE21 H 1 6.728 0.02 . 1 . . . . 35 GLN HE21 . 7221 8 36 . 1 1 35 35 GLN HE22 H 1 5.312 0.02 . 1 . . . . 35 GLN HE22 . 7221 8 37 . 1 1 37 37 GLU N N 15 120.543 0.002 . 1 . . . . 37 GLU N . 7221 8 38 . 1 1 38 38 ALA N N 15 121.314 0.002 . 1 . . . . 38 ALA N . 7221 8 39 . 1 1 39 39 ALA H H 1 7.556 0.02 . 1 . . . . 39 ALA HN . 7221 8 40 . 1 1 40 40 ARG N N 15 124.647 0.002 . 1 . . . . 40 ARG N . 7221 8 41 . 1 1 40 40 ARG H H 1 8.815 0.02 . 1 . . . . 40 ARG HN . 7221 8 42 . 1 1 40 40 ARG HE H 1 9.500 0.02 . 1 . . . . 40 ARG H . 7221 8 43 . 1 1 42 42 ILE H H 1 7.314 0.02 . 1 . . . . 42 ILE HN . 7221 8 44 . 1 1 44 44 PHE H H 1 8.066 0.02 . 1 . . . . 44 PHE HN . 7221 8 45 . 1 1 47 47 CYS N N 15 127.364 0.002 . 1 . . . . 47 CYS N . 7221 8 46 . 1 1 47 47 CYS H H 1 8.664 0.02 . 1 . . . . 47 CYS HN . 7221 8 47 . 1 1 48 48 ALA N N 15 120.705 0.002 . 1 . . . . 48 ALA N . 7221 8 48 . 1 1 49 49 ALA N N 15 130.754 0.002 . 1 . . . . 49 ALA N . 7221 8 49 . 1 1 49 49 ALA H H 1 8.371 0.02 . 1 . . . . 49 ALA HN . 7221 8 50 . 1 1 50 50 GLY H H 1 8.758 0.02 . 1 . . . . 50 GLY HN . 7221 8 51 . 1 1 52 52 MET N N 15 118.898 0.002 . 1 . . . . 52 MET N . 7221 8 52 . 1 1 52 52 MET H H 1 9.154 0.02 . 1 . . . . 52 MET HN . 7221 8 53 . 1 1 54 54 LYS H H 1 8.913 0.02 . 1 . . . . 54 LYS HN . 7221 8 54 . 1 1 56 56 ARG HE H 1 7.944 0.02 . 1 . . . . 56 ARG HE . 7221 8 55 . 1 1 69 69 GLY N N 15 114.326 0.002 . 1 . . . . 69 GLY N . 7221 8 56 . 1 1 70 70 PHE N N 15 111.468 0.002 . 1 . . . . 70 PHE N . 7221 8 57 . 1 1 71 71 GLY H H 1 7.389 0.02 . 1 . . . . 71 GLY HN . 7221 8 58 . 1 1 72 72 LYS H H 1 6.973 0.02 . 1 . . . . 72 LYS HN . 7221 8 59 . 1 1 74 74 GLY N N 15 109.598 0.002 . 1 . . . . 74 GLY N . 7221 8 60 . 1 1 77 77 ASP H H 1 7.995 0.02 . 1 . . . . 77 ASP HN . 7221 8 61 . 1 1 81 81 ARG HE H 1 9.902 0.02 . 1 . . . . 81 ARG HE . 7221 8 62 . 1 1 90 90 ALA N N 15 121.034 0.002 . 1 . . . . 90 ALA N . 7221 8 63 . 1 1 91 91 TYR N N 15 118.335 0.002 . 1 . . . . 91 TYR N . 7221 8 64 . 1 1 94 94 ASN N N 15 124.653 0.002 . 1 . . . . 94 ASN N . 7221 8 65 . 1 1 94 94 ASN ND2 N 15 113.633 0.002 . 1 . . . . 94 ASN ND2 . 7221 8 66 . 1 1 94 94 ASN HD21 H 1 7.409 0.02 . 1 . . . . 94 ASN HD21 . 7221 8 67 . 1 1 94 94 ASN HD22 H 1 6.923 0.02 . 1 . . . . 94 ASN HD22 . 7221 8 68 . 1 1 96 96 HIS N N 15 115.978 0.002 . 1 . . . . 96 HIS N . 7221 8 69 . 1 1 96 96 HIS H H 1 8.415 0.02 . 1 . . . . 96 HIS HN . 7221 8 70 . 1 1 97 97 ALA H H 1 7.446 0.02 . 1 . . . . 97 ALA HN . 7221 8 71 . 1 1 98 98 LYS N N 15 127.568 0.02 . 1 . . . . 98 LYS N . 7221 8 72 . 1 1 98 98 LYS H H 1 8.063 0.002 . 1 . . . . 98 LYS HN . 7221 8 73 . 1 1 46 46 VAL N N 15 126.495 0.002 . 1 . . . . 46 VAL N . 7221 8 74 . 1 1 63 63 LYS H H 1 7.566 0.02 . 1 . . . . 63 LYS HN . 7221 8 stop_ save_ save_chem_shift_list_9 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_9 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 9 _Assigned_chem_shift_list.Sample_condition_list_ID 9 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_9 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 9 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 VAL N N 15 122.900 0.002 . 1 . . . . 2 VAL N . 7221 9 2 . 1 1 2 2 VAL H H 1 8.520 0.02 . 1 . . . . 2 VAL HN . 7221 9 3 . 1 1 3 3 TYR N N 15 120.292 0.002 . 1 . . . . 3 TYR N . 7221 9 4 . 1 1 3 3 TYR H H 1 8.759 0.02 . 1 . . . . 3 TYR HN . 7221 9 5 . 1 1 4 4 HIS N N 15 121.042 0.002 . 1 . . . . 4 HIS N . 7221 9 6 . 1 1 4 4 HIS H H 1 9.426 0.02 . 1 . . . . 4 HIS HN . 7221 9 7 . 1 1 5 5 ARG H H 1 8.821 0.02 . 1 . . . . 5 ARG HN . 7221 9 8 . 1 1 5 5 ARG HE H 1 8.755 0.02 . 1 . . . . 5 ARG HE . 7221 9 9 . 1 1 6 6 GLU H H 1 8.244 0.02 . 1 . . . . 6 GLU HN . 7221 9 10 . 1 1 7 7 ALA N N 15 123.571 0.002 . 1 . . . . 7 ALA N . 7221 9 11 . 1 1 7 7 ALA H H 1 8.792 0.02 . 1 . . . . 7 ALA HN . 7221 9 12 . 1 1 10 10 GLY N N 15 109.631 0.002 . 1 . . . . 10 GLY N . 7221 9 13 . 1 1 11 11 LYS H H 1 8.060 0.02 . 1 . . . . 11 LYS HN . 7221 9 14 . 1 1 12 12 TYR N N 15 122.998 0.002 . 1 . . . . 12 TYR N . 7221 9 15 . 1 1 12 12 TYR H H 1 9.873 0.02 . 1 . . . . 12 TYR HN . 7221 9 16 . 1 1 13 13 LYS H H 1 8.480 0.02 . 1 . . . . 13 LYS HN . 7221 9 17 . 1 1 14 14 LEU N N 15 123.303 0.002 . 1 . . . . 14 LEU N . 7221 9 18 . 1 1 14 14 LEU H H 1 9.551 0.02 . 1 . . . . 14 LEU HN . 7221 9 19 . 1 1 15 15 THR N N 15 116.107 0.002 . 1 . . . . 15 THR N . 7221 9 20 . 1 1 15 15 THR H H 1 8.819 0.02 . 1 . . . . 15 THR HN . 7221 9 21 . 1 1 18 18 GLU N N 15 117.758 0.002 . 1 . . . . 18 GLU N . 7221 9 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 9 23 . 1 1 21 21 ALA N N 15 117.649 0.002 . 1 . . . . 21 ALA N . 7221 9 24 . 1 1 21 21 ALA H H 1 7.436 0.02 . 1 . . . . 21 ALA HN . 7221 9 25 . 1 1 25 25 PHE H H 1 9.011 0.02 . 1 . . . . 25 PHE HN . 7221 9 26 . 1 1 27 27 GLY H H 1 7.736 0.02 . 1 . . . . 27 GLY HN . 7221 9 27 . 1 1 28 28 GLY N N 15 109.534 0.002 . 1 . . . . 28 GLY N . 7221 9 28 . 1 1 28 28 GLY H H 1 7.793 0.02 . 1 . . . . 28 GLY HN . 7221 9 29 . 1 1 29 29 HIS N N 15 116.107 0.002 . 1 . . . . 29 HIS N . 7221 9 30 . 1 1 29 29 HIS H H 1 8.462 0.02 . 1 . . . . 29 HIS HN . 7221 9 31 . 1 1 30 30 LEU N N 15 124.034 0.002 . 1 . . . . 30 LEU N . 7221 9 32 . 1 1 30 30 LEU H H 1 9.393 0.02 . 1 . . . . 30 LEU HN . 7221 9 33 . 1 1 34 34 LYS N N 15 116.542 0.002 . 1 . . . . 34 LYS N . 7221 9 34 . 1 1 35 35 GLN NE2 N 15 107.124 0.002 . 1 . . . . 35 GLN NE2 . 7221 9 35 . 1 1 35 35 GLN HE21 H 1 6.724 0.02 . 1 . . . . 35 GLN HE21 . 7221 9 36 . 1 1 35 35 GLN HE22 H 1 5.305 0.02 . 1 . . . . 35 GLN HE22 . 7221 9 37 . 1 1 37 37 GLU N N 15 120.525 0.002 . 1 . . . . 37 GLU N . 7221 9 38 . 1 1 38 38 ALA N N 15 121.314 0.002 . 1 . . . . 38 ALA N . 7221 9 39 . 1 1 39 39 ALA H H 1 7.556 0.02 . 1 . . . . 39 ALA HN . 7221 9 40 . 1 1 40 40 ARG N N 15 124.654 0.002 . 1 . . . . 40 ARG N . 7221 9 41 . 1 1 40 40 ARG H H 1 8.815 0.02 . 1 . . . . 40 ARG HN . 7221 9 42 . 1 1 40 40 ARG HE H 1 9.508 0.02 . 1 . . . . 40 ARG H . 7221 9 43 . 1 1 42 42 ILE H H 1 7.314 0.02 . 1 . . . . 42 ILE HN . 7221 9 44 . 1 1 44 44 PHE H H 1 8.061 0.02 . 1 . . . . 44 PHE HN . 7221 9 45 . 1 1 47 47 CYS N N 15 127.327 0.002 . 1 . . . . 47 CYS N . 7221 9 46 . 1 1 47 47 CYS H H 1 8.663 0.02 . 1 . . . . 47 CYS HN . 7221 9 47 . 1 1 48 48 ALA N N 15 120.705 0.002 . 1 . . . . 48 ALA N . 7221 9 48 . 1 1 49 49 ALA N N 15 130.717 0.002 . 1 . . . . 49 ALA N . 7221 9 49 . 1 1 49 49 ALA H H 1 8.369 0.02 . 1 . . . . 49 ALA HN . 7221 9 50 . 1 1 50 50 GLY H H 1 8.754 0.02 . 1 . . . . 50 GLY HN . 7221 9 51 . 1 1 52 52 MET N N 15 118.860 0.002 . 1 . . . . 52 MET N . 7221 9 52 . 1 1 52 52 MET H H 1 9.150 0.02 . 1 . . . . 52 MET HN . 7221 9 53 . 1 1 54 54 LYS H H 1 8.915 0.02 . 1 . . . . 54 LYS HN . 7221 9 54 . 1 1 56 56 ARG HE H 1 7.944 0.02 . 1 . . . . 56 ARG HE . 7221 9 55 . 1 1 69 69 GLY N N 15 114.326 0.002 . 1 . . . . 69 GLY N . 7221 9 56 . 1 1 70 70 PHE N N 15 111.468 0.002 . 1 . . . . 70 PHE N . 7221 9 57 . 1 1 71 71 GLY H H 1 7.386 0.02 . 1 . . . . 71 GLY HN . 7221 9 58 . 1 1 72 72 LYS H H 1 6.970 0.02 . 1 . . . . 72 LYS HN . 7221 9 59 . 1 1 74 74 GLY N N 15 109.598 0.002 . 1 . . . . 74 GLY N . 7221 9 60 . 1 1 77 77 ASP H H 1 7.992 0.02 . 1 . . . . 77 ASP HN . 7221 9 61 . 1 1 81 81 ARG HE H 1 9.896 0.02 . 1 . . . . 81 ARG HE . 7221 9 62 . 1 1 90 90 ALA N N 15 121.091 0.002 . 1 . . . . 90 ALA N . 7221 9 63 . 1 1 91 91 TYR N N 15 118.298 0.002 . 1 . . . . 91 TYR N . 7221 9 64 . 1 1 94 94 ASN N N 15 124.653 0.002 . 1 . . . . 94 ASN N . 7221 9 65 . 1 1 94 94 ASN ND2 N 15 113.627 0.002 . 1 . . . . 94 ASN ND2 . 7221 9 66 . 1 1 94 94 ASN HD21 H 1 7.407 0.02 . 1 . . . . 94 ASN HD21 . 7221 9 67 . 1 1 94 94 ASN HD22 H 1 6.921 0.02 . 1 . . . . 94 ASN HD22 . 7221 9 68 . 1 1 96 96 HIS N N 15 116.059 0.002 . 1 . . . . 96 HIS N . 7221 9 69 . 1 1 96 96 HIS H H 1 8.402 0.02 . 1 . . . . 96 HIS HN . 7221 9 70 . 1 1 97 97 ALA H H 1 7.440 0.02 . 1 . . . . 97 ALA HN . 7221 9 71 . 1 1 98 98 LYS N N 15 127.595 0.02 . 1 . . . . 98 LYS N . 7221 9 72 . 1 1 98 98 LYS H H 1 8.062 0.002 . 1 . . . . 98 LYS HN . 7221 9 73 . 1 1 46 46 VAL N N 15 126.592 0.002 . 1 . . . . 46 VAL N . 7221 9 74 . 1 1 63 63 LYS H H 1 7.558 0.02 . 1 . . . . 63 LYS HN . 7221 9 stop_ save_ save_chem_shift_list_10 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_10 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 10 _Assigned_chem_shift_list.Sample_condition_list_ID 10 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_10 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 10 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 VAL N N 15 122.900 0.002 . 1 . . . . 2 VAL N . 7221 10 2 . 1 1 2 2 VAL H H 1 8.520 0.02 . 1 . . . . 2 VAL HN . 7221 10 3 . 1 1 3 3 TYR N N 15 120.354 0.002 . 1 . . . . 3 TYR N . 7221 10 4 . 1 1 3 3 TYR H H 1 8.762 0.02 . 1 . . . . 3 TYR HN . 7221 10 5 . 1 1 4 4 HIS N N 15 121.129 0.002 . 1 . . . . 4 HIS N . 7221 10 6 . 1 1 4 4 HIS H H 1 9.410 0.02 . 1 . . . . 4 HIS HN . 7221 10 7 . 1 1 5 5 ARG H H 1 8.811 0.02 . 1 . . . . 5 ARG HN . 7221 10 8 . 1 1 5 5 ARG HE H 1 8.755 0.02 . 1 . . . . 5 ARG HE . 7221 10 9 . 1 1 6 6 GLU H H 1 8.231 0.02 . 1 . . . . 6 GLU HN . 7221 10 10 . 1 1 7 7 ALA N N 15 123.583 0.002 . 1 . . . . 7 ALA N . 7221 10 11 . 1 1 7 7 ALA H H 1 8.807 0.02 . 1 . . . . 7 ALA HN . 7221 10 12 . 1 1 10 10 GLY N N 15 109.644 0.002 . 1 . . . . 10 GLY N . 7221 10 13 . 1 1 11 11 LYS H H 1 8.050 0.02 . 1 . . . . 11 LYS HN . 7221 10 14 . 1 1 12 12 TYR N N 15 123.083 0.002 . 1 . . . . 12 TYR N . 7221 10 15 . 1 1 12 12 TYR H H 1 9.900 0.02 . 1 . . . . 12 TYR HN . 7221 10 16 . 1 1 13 13 LYS H H 1 8.489 0.02 . 1 . . . . 13 LYS HN . 7221 10 17 . 1 1 14 14 LEU N N 15 123.364 0.002 . 1 . . . . 14 LEU N . 7221 10 18 . 1 1 14 14 LEU H H 1 9.556 0.02 . 1 . . . . 14 LEU HN . 7221 10 19 . 1 1 15 15 THR N N 15 116.132 0.002 . 1 . . . . 15 THR N . 7221 10 20 . 1 1 15 15 THR H H 1 8.827 0.02 . 1 . . . . 15 THR HN . 7221 10 21 . 1 1 18 18 GLU N N 15 117.770 0.002 . 1 . . . . 18 GLU N . 7221 10 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 10 23 . 1 1 21 21 ALA N N 15 117.622 0.002 . 1 . . . . 21 ALA N . 7221 10 24 . 1 1 21 21 ALA H H 1 7.433 0.02 . 1 . . . . 21 ALA HN . 7221 10 25 . 1 1 25 25 PHE H H 1 9.013 0.02 . 1 . . . . 25 PHE HN . 7221 10 26 . 1 1 27 27 GLY H H 1 7.736 0.02 . 1 . . . . 27 GLY HN . 7221 10 27 . 1 1 28 28 GLY N N 15 109.607 0.002 . 1 . . . . 28 GLY N . 7221 10 28 . 1 1 28 28 GLY H H 1 7.795 0.02 . 1 . . . . 28 GLY HN . 7221 10 29 . 1 1 29 29 HIS N N 15 116.205 0.002 . 1 . . . . 29 HIS N . 7221 10 30 . 1 1 29 29 HIS H H 1 8.456 0.02 . 1 . . . . 29 HIS HN . 7221 10 31 . 1 1 30 30 LEU N N 15 124.010 0.002 . 1 . . . . 30 LEU N . 7221 10 32 . 1 1 30 30 LEU H H 1 9.385 0.02 . 1 . . . . 30 LEU HN . 7221 10 33 . 1 1 34 34 LYS N N 15 116.542 0.002 . 1 . . . . 34 LYS N . 7221 10 34 . 1 1 35 35 GLN NE2 N 15 107.116 0.002 . 1 . . . . 35 GLN NE2 . 7221 10 35 . 1 1 35 35 GLN HE21 H 1 6.719 0.02 . 1 . . . . 35 GLN HE21 . 7221 10 36 . 1 1 35 35 GLN HE22 H 1 5.305 0.02 . 1 . . . . 35 GLN HE22 . 7221 10 37 . 1 1 37 37 GLU N N 15 120.525 0.002 . 1 . . . . 37 GLU N . 7221 10 38 . 1 1 38 38 ALA N N 15 121.314 0.002 . 1 . . . . 38 ALA N . 7221 10 39 . 1 1 39 39 ALA H H 1 7.556 0.02 . 1 . . . . 39 ALA HN . 7221 10 40 . 1 1 40 40 ARG N N 15 124.654 0.002 . 1 . . . . 40 ARG N . 7221 10 41 . 1 1 40 40 ARG H H 1 8.820 0.02 . 1 . . . . 40 ARG HN . 7221 10 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 10 43 . 1 1 42 42 ILE H H 1 7.315 0.02 . 1 . . . . 42 ILE HN . 7221 10 44 . 1 1 44 44 PHE H H 1 8.058 0.02 . 1 . . . . 44 PHE HN . 7221 10 45 . 1 1 47 47 CYS N N 15 127.315 0.002 . 1 . . . . 47 CYS N . 7221 10 46 . 1 1 47 47 CYS H H 1 8.658 0.02 . 1 . . . . 47 CYS HN . 7221 10 47 . 1 1 48 48 ALA N N 15 120.729 0.002 . 1 . . . . 48 ALA N . 7221 10 48 . 1 1 49 49 ALA N N 15 130.648 0.002 . 1 . . . . 49 ALA N . 7221 10 49 . 1 1 49 49 ALA H H 1 8.360 0.02 . 1 . . . . 49 ALA HN . 7221 10 50 . 1 1 50 50 GLY H H 1 8.747 0.02 . 1 . . . . 50 GLY HN . 7221 10 51 . 1 1 52 52 MET N N 15 118.839 0.002 . 1 . . . . 52 MET N . 7221 10 52 . 1 1 52 52 MET H H 1 9.146 0.02 . 1 . . . . 52 MET HN . 7221 10 53 . 1 1 54 54 LYS H H 1 8.915 0.02 . 1 . . . . 54 LYS HN . 7221 10 54 . 1 1 56 56 ARG HE H 1 7.945 0.02 . 1 . . . . 56 ARG HE . 7221 10 55 . 1 1 69 69 GLY N N 15 114.326 0.002 . 1 . . . . 69 GLY N . 7221 10 56 . 1 1 70 70 PHE N N 15 111.468 0.002 . 1 . . . . 70 PHE N . 7221 10 57 . 1 1 71 71 GLY H H 1 7.383 0.02 . 1 . . . . 71 GLY HN . 7221 10 58 . 1 1 72 72 LYS H H 1 6.970 0.02 . 1 . . . . 72 LYS HN . 7221 10 59 . 1 1 74 74 GLY N N 15 109.633 0.002 . 1 . . . . 74 GLY N . 7221 10 60 . 1 1 77 77 ASP H H 1 7.988 0.02 . 1 . . . . 77 ASP HN . 7221 10 61 . 1 1 81 81 ARG HE H 1 9.895 0.02 . 1 . . . . 81 ARG HE . 7221 10 62 . 1 1 90 90 ALA N N 15 121.105 0.002 . 1 . . . . 90 ALA N . 7221 10 63 . 1 1 91 91 TYR N N 15 118.192 0.002 . 1 . . . . 91 TYR N . 7221 10 64 . 1 1 94 94 ASN N N 15 124.627 0.002 . 1 . . . . 94 ASN N . 7221 10 65 . 1 1 94 94 ASN ND2 N 15 113.548 0.002 . 1 . . . . 94 ASN ND2 . 7221 10 66 . 1 1 94 94 ASN HD21 H 1 7.407 0.02 . 1 . . . . 94 ASN HD21 . 7221 10 67 . 1 1 94 94 ASN HD22 H 1 6.919 0.02 . 1 . . . . 94 ASN HD22 . 7221 10 68 . 1 1 96 96 HIS N N 15 116.165 0.002 . 1 . . . . 96 HIS N . 7221 10 69 . 1 1 96 96 HIS H H 1 8.383 0.02 . 1 . . . . 96 HIS HN . 7221 10 70 . 1 1 97 97 ALA H H 1 7.435 0.02 . 1 . . . . 97 ALA HN . 7221 10 71 . 1 1 98 98 LYS N N 15 127.627 0.02 . 1 . . . . 98 LYS N . 7221 10 72 . 1 1 98 98 LYS H H 1 8.061 0.002 . 1 . . . . 98 LYS HN . 7221 10 73 . 1 1 46 46 VAL N N 15 126.690 0.002 . 1 . . . . 46 VAL N . 7221 10 74 . 1 1 63 63 LYS H H 1 7.556 0.02 . 1 . . . . 63 LYS HN . 7221 10 stop_ save_ save_chem_shift_list_11 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_11 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 11 _Assigned_chem_shift_list.Sample_condition_list_ID 11 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_11 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 11 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 VAL N N 15 122.877 0.002 . 1 . . . . 2 VAL N . 7221 11 2 . 1 1 2 2 VAL H H 1 8.510 0.02 . 1 . . . . 2 VAL HN . 7221 11 3 . 1 1 3 3 TYR N N 15 120.389 0.002 . 1 . . . . 3 TYR N . 7221 11 4 . 1 1 3 3 TYR H H 1 8.764 0.02 . 1 . . . . 3 TYR HN . 7221 11 5 . 1 1 4 4 HIS N N 15 121.224 0.002 . 1 . . . . 4 HIS N . 7221 11 6 . 1 1 4 4 HIS H H 1 9.387 0.02 . 1 . . . . 4 HIS HN . 7221 11 7 . 1 1 5 5 ARG H H 1 8.800 0.02 . 1 . . . . 5 ARG HN . 7221 11 8 . 1 1 5 5 ARG HE H 1 8.778 0.02 . 1 . . . . 5 ARG HE . 7221 11 9 . 1 1 6 6 GLU H H 1 8.216 0.02 . 1 . . . . 6 GLU HN . 7221 11 10 . 1 1 7 7 ALA N N 15 123.613 0.002 . 1 . . . . 7 ALA N . 7221 11 11 . 1 1 7 7 ALA H H 1 8.823 0.02 . 1 . . . . 7 ALA HN . 7221 11 12 . 1 1 10 10 GLY N N 15 109.668 0.002 . 1 . . . . 10 GLY N . 7221 11 13 . 1 1 11 11 LYS H H 1 8.043 0.02 . 1 . . . . 11 LYS HN . 7221 11 14 . 1 1 12 12 TYR N N 15 123.182 0.002 . 1 . . . . 12 TYR N . 7221 11 15 . 1 1 12 12 TYR H H 1 9.930 0.02 . 1 . . . . 12 TYR HN . 7221 11 16 . 1 1 13 13 LYS H H 1 8.500 0.02 . 1 . . . . 13 LYS HN . 7221 11 17 . 1 1 14 14 LEU N N 15 123.398 0.002 . 1 . . . . 14 LEU N . 7221 11 18 . 1 1 14 14 LEU H H 1 9.559 0.02 . 1 . . . . 14 LEU HN . 7221 11 19 . 1 1 15 15 THR N N 15 116.130 0.002 . 1 . . . . 15 THR N . 7221 11 20 . 1 1 15 15 THR H H 1 8.829 0.02 . 1 . . . . 15 THR HN . 7221 11 21 . 1 1 18 18 GLU N N 15 117.770 0.002 . 1 . . . . 18 GLU N . 7221 11 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 11 23 . 1 1 21 21 ALA N N 15 117.602 0.002 . 1 . . . . 21 ALA N . 7221 11 24 . 1 1 21 21 ALA H H 1 7.432 0.02 . 1 . . . . 21 ALA HN . 7221 11 25 . 1 1 25 25 PHE H H 1 9.013 0.02 . 1 . . . . 25 PHE HN . 7221 11 26 . 1 1 27 27 GLY H H 1 7.737 0.02 . 1 . . . . 27 GLY HN . 7221 11 27 . 1 1 28 28 GLY N N 15 109.619 0.002 . 1 . . . . 28 GLY N . 7221 11 28 . 1 1 28 28 GLY H H 1 7.798 0.02 . 1 . . . . 28 GLY HN . 7221 11 29 . 1 1 29 29 HIS N N 15 116.334 0.002 . 1 . . . . 29 HIS N . 7221 11 30 . 1 1 29 29 HIS H H 1 8.450 0.02 . 1 . . . . 29 HIS HN . 7221 11 31 . 1 1 30 30 LEU N N 15 124.000 0.002 . 1 . . . . 30 LEU N . 7221 11 32 . 1 1 30 30 LEU H H 1 9.377 0.02 . 1 . . . . 30 LEU HN . 7221 11 33 . 1 1 34 34 LYS N N 15 116.523 0.002 . 1 . . . . 34 LYS N . 7221 11 34 . 1 1 35 35 GLN NE2 N 15 107.076 0.002 . 1 . . . . 35 GLN NE2 . 7221 11 35 . 1 1 35 35 GLN HE21 H 1 6.711 0.02 . 1 . . . . 35 GLN HE21 . 7221 11 36 . 1 1 35 35 GLN HE22 H 1 5.296 0.02 . 1 . . . . 35 GLN HE22 . 7221 11 37 . 1 1 37 37 GLU N N 15 120.525 0.002 . 1 . . . . 37 GLU N . 7221 11 38 . 1 1 38 38 ALA N N 15 121.314 0.002 . 1 . . . . 38 ALA N . 7221 11 39 . 1 1 39 39 ALA H H 1 7.556 0.02 . 1 . . . . 39 ALA HN . 7221 11 40 . 1 1 40 40 ARG N N 15 124.654 0.002 . 1 . . . . 40 ARG N . 7221 11 41 . 1 1 40 40 ARG H H 1 8.820 0.02 . 1 . . . . 40 ARG HN . 7221 11 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 11 43 . 1 1 42 42 ILE H H 1 7.316 0.02 . 1 . . . . 42 ILE HN . 7221 11 44 . 1 1 44 44 PHE H H 1 8.056 0.02 . 1 . . . . 44 PHE HN . 7221 11 45 . 1 1 47 47 CYS N N 15 127.317 0.002 . 1 . . . . 47 CYS N . 7221 11 46 . 1 1 47 47 CYS H H 1 8.652 0.02 . 1 . . . . 47 CYS HN . 7221 11 47 . 1 1 48 48 ALA N N 15 120.794 0.002 . 1 . . . . 48 ALA N . 7221 11 48 . 1 1 49 49 ALA N N 15 130.648 0.002 . 1 . . . . 49 ALA N . 7221 11 49 . 1 1 49 49 ALA H H 1 8.360 0.02 . 1 . . . . 49 ALA HN . 7221 11 50 . 1 1 50 50 GLY H H 1 8.745 0.02 . 1 . . . . 50 GLY HN . 7221 11 51 . 1 1 52 52 MET N N 15 118.802 0.002 . 1 . . . . 52 MET N . 7221 11 52 . 1 1 52 52 MET H H 1 9.144 0.02 . 1 . . . . 52 MET HN . 7221 11 53 . 1 1 54 54 LYS H H 1 8.914 0.02 . 1 . . . . 54 LYS HN . 7221 11 54 . 1 1 56 56 ARG HE H 1 7.945 0.02 . 1 . . . . 56 ARG HE . 7221 11 55 . 1 1 69 69 GLY N N 15 114.357 0.002 . 1 . . . . 69 GLY N . 7221 11 56 . 1 1 70 70 PHE N N 15 111.468 0.002 . 1 . . . . 70 PHE N . 7221 11 57 . 1 1 71 71 GLY H H 1 7.383 0.02 . 1 . . . . 71 GLY HN . 7221 11 58 . 1 1 72 72 LYS H H 1 6.970 0.02 . 1 . . . . 72 LYS HN . 7221 11 59 . 1 1 74 74 GLY N N 15 109.633 0.002 . 1 . . . . 74 GLY N . 7221 11 60 . 1 1 77 77 ASP H H 1 7.988 0.02 . 1 . . . . 77 ASP HN . 7221 11 61 . 1 1 81 81 ARG HE H 1 9.894 0.02 . 1 . . . . 81 ARG HE . 7221 11 62 . 1 1 90 90 ALA N N 15 121.128 0.002 . 1 . . . . 90 ALA N . 7221 11 63 . 1 1 91 91 TYR N N 15 118.112 0.002 . 1 . . . . 91 TYR N . 7221 11 64 . 1 1 94 94 ASN N N 15 124.610 0.002 . 1 . . . . 94 ASN N . 7221 11 65 . 1 1 94 94 ASN ND2 N 15 113.526 0.002 . 1 . . . . 94 ASN ND2 . 7221 11 66 . 1 1 94 94 ASN HD21 H 1 7.403 0.02 . 1 . . . . 94 ASN HD21 . 7221 11 67 . 1 1 94 94 ASN HD22 H 1 6.918 0.02 . 1 . . . . 94 ASN HD22 . 7221 11 68 . 1 1 96 96 HIS N N 15 116.256 0.002 . 1 . . . . 96 HIS N . 7221 11 69 . 1 1 96 96 HIS H H 1 8.365 0.02 . 1 . . . . 96 HIS HN . 7221 11 70 . 1 1 97 97 ALA H H 1 7.430 0.02 . 1 . . . . 97 ALA HN . 7221 11 71 . 1 1 98 98 LYS N N 15 127.627 0.02 . 1 . . . . 98 LYS N . 7221 11 72 . 1 1 98 98 LYS H H 1 8.061 0.002 . 1 . . . . 98 LYS HN . 7221 11 73 . 1 1 46 46 VAL N N 15 126.717 0.002 . 1 . . . . 46 VAL N . 7221 11 74 . 1 1 63 63 LYS H H 1 7.556 0.02 . 1 . . . . 63 LYS HN . 7221 11 stop_ save_ save_chem_shift_list_12 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_12 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 12 _Assigned_chem_shift_list.Sample_condition_list_ID 12 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_12 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 12 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 VAL N N 15 122.811 0.002 . 1 . . . . 2 VAL N . 7221 12 2 . 1 1 2 2 VAL H H 1 8.497 0.02 . 1 . . . . 2 VAL HN . 7221 12 3 . 1 1 3 3 TYR N N 15 120.545 0.002 . 1 . . . . 3 TYR N . 7221 12 4 . 1 1 3 3 TYR H H 1 8.774 0.02 . 1 . . . . 3 TYR HN . 7221 12 5 . 1 1 4 4 HIS N N 15 121.580 0.002 . 1 . . . . 4 HIS N . 7221 12 6 . 1 1 4 4 HIS H H 1 9.325 0.02 . 1 . . . . 4 HIS HN . 7221 12 7 . 1 1 5 5 ARG H H 1 8.764 0.02 . 1 . . . . 5 ARG HN . 7221 12 8 . 1 1 5 5 ARG HE H 1 8.778 0.02 . 1 . . . . 5 ARG HE . 7221 12 9 . 1 1 6 6 GLU H H 1 8.185 0.02 . 1 . . . . 6 GLU HN . 7221 12 10 . 1 1 7 7 ALA N N 15 123.634 0.002 . 1 . . . . 7 ALA N . 7221 12 11 . 1 1 7 7 ALA H H 1 8.847 0.02 . 1 . . . . 7 ALA HN . 7221 12 12 . 1 1 10 10 GLY N N 15 109.732 0.002 . 1 . . . . 10 GLY N . 7221 12 13 . 1 1 11 11 LYS H H 1 8.021 0.02 . 1 . . . . 11 LYS HN . 7221 12 14 . 1 1 12 12 TYR N N 15 123.409 0.002 . 1 . . . . 12 TYR N . 7221 12 15 . 1 1 12 12 TYR H H 1 10.005 0.02 . 1 . . . . 12 TYR HN . 7221 12 16 . 1 1 13 13 LYS H H 1 8.524 0.02 . 1 . . . . 13 LYS HN . 7221 12 17 . 1 1 14 14 LEU N N 15 123.428 0.002 . 1 . . . . 14 LEU N . 7221 12 18 . 1 1 14 14 LEU H H 1 9.560 0.02 . 1 . . . . 14 LEU HN . 7221 12 19 . 1 1 15 15 THR N N 15 116.154 0.002 . 1 . . . . 15 THR N . 7221 12 20 . 1 1 15 15 THR H H 1 8.827 0.02 . 1 . . . . 15 THR HN . 7221 12 21 . 1 1 18 18 GLU N N 15 117.802 0.002 . 1 . . . . 18 GLU N . 7221 12 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 12 23 . 1 1 21 21 ALA N N 15 117.573 0.002 . 1 . . . . 21 ALA N . 7221 12 24 . 1 1 21 21 ALA H H 1 7.423 0.02 . 1 . . . . 21 ALA HN . 7221 12 25 . 1 1 25 25 PHE H H 1 9.010 0.02 . 1 . . . . 25 PHE HN . 7221 12 26 . 1 1 27 27 GLY H H 1 7.735 0.02 . 1 . . . . 27 GLY HN . 7221 12 27 . 1 1 28 28 GLY N N 15 109.749 0.002 . 1 . . . . 28 GLY N . 7221 12 28 . 1 1 28 28 GLY H H 1 7.796 0.02 . 1 . . . . 28 GLY HN . 7221 12 29 . 1 1 29 29 HIS N N 15 116.634 0.002 . 1 . . . . 29 HIS N . 7221 12 30 . 1 1 29 29 HIS H H 1 8.417 0.02 . 1 . . . . 29 HIS HN . 7221 12 31 . 1 1 30 30 LEU N N 15 123.781 0.002 . 1 . . . . 30 LEU N . 7221 12 32 . 1 1 30 30 LEU H H 1 9.344 0.02 . 1 . . . . 30 LEU HN . 7221 12 33 . 1 1 34 34 LYS N N 15 116.513 0.002 . 1 . . . . 34 LYS N . 7221 12 34 . 1 1 35 35 GLN NE2 N 15 107.066 0.002 . 1 . . . . 35 GLN NE2 . 7221 12 35 . 1 1 35 35 GLN HE21 H 1 6.703 0.02 . 1 . . . . 35 GLN HE21 . 7221 12 36 . 1 1 35 35 GLN HE22 H 1 5.265 0.02 . 1 . . . . 35 GLN HE22 . 7221 12 37 . 1 1 37 37 GLU N N 15 120.480 0.002 . 1 . . . . 37 GLU N . 7221 12 38 . 1 1 38 38 ALA N N 15 121.301 0.002 . 1 . . . . 38 ALA N . 7221 12 39 . 1 1 39 39 ALA H H 1 7.573 0.02 . 1 . . . . 39 ALA HN . 7221 12 40 . 1 1 40 40 ARG N N 15 124.620 0.002 . 1 . . . . 40 ARG N . 7221 12 41 . 1 1 40 40 ARG H H 1 8.817 0.02 . 1 . . . . 40 ARG HN . 7221 12 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 12 43 . 1 1 42 42 ILE H H 1 7.316 0.02 . 1 . . . . 42 ILE HN . 7221 12 44 . 1 1 44 44 PHE H H 1 8.047 0.02 . 1 . . . . 44 PHE HN . 7221 12 45 . 1 1 47 47 CYS N N 15 127.302 0.002 . 1 . . . . 47 CYS N . 7221 12 46 . 1 1 47 47 CYS H H 1 8.647 0.02 . 1 . . . . 47 CYS HN . 7221 12 47 . 1 1 48 48 ALA N N 15 120.909 0.002 . 1 . . . . 48 ALA N . 7221 12 48 . 1 1 49 49 ALA N N 15 130.583 0.002 . 1 . . . . 49 ALA N . 7221 12 49 . 1 1 49 49 ALA H H 1 8.343 0.02 . 1 . . . . 49 ALA HN . 7221 12 50 . 1 1 50 50 GLY H H 1 8.716 0.02 . 1 . . . . 50 GLY HN . 7221 12 51 . 1 1 52 52 MET N N 15 118.550 0.002 . 1 . . . . 52 MET N . 7221 12 52 . 1 1 52 52 MET H H 1 9.131 0.02 . 1 . . . . 52 MET HN . 7221 12 53 . 1 1 54 54 LYS H H 1 8.914 0.02 . 1 . . . . 54 LYS HN . 7221 12 54 . 1 1 56 56 ARG HE H 1 7.893 0.02 . 1 . . . . 56 ARG HE . 7221 12 55 . 1 1 69 69 GLY N N 15 114.367 0.002 . 1 . . . . 69 GLY N . 7221 12 56 . 1 1 70 70 PHE N N 15 111.479 0.002 . 1 . . . . 70 PHE N . 7221 12 57 . 1 1 71 71 GLY H H 1 7.383 0.02 . 1 . . . . 71 GLY HN . 7221 12 58 . 1 1 72 72 LYS H H 1 6.968 0.02 . 1 . . . . 72 LYS HN . 7221 12 59 . 1 1 74 74 GLY N N 15 109.588 0.002 . 1 . . . . 74 GLY N . 7221 12 60 . 1 1 77 77 ASP H H 1 8.001 0.02 . 1 . . . . 77 ASP HN . 7221 12 61 . 1 1 81 81 ARG HE H 1 9.915 0.02 . 1 . . . . 81 ARG HE . 7221 12 62 . 1 1 90 90 ALA N N 15 121.186 0.002 . 1 . . . . 90 ALA N . 7221 12 63 . 1 1 91 91 TYR N N 15 117.814 0.002 . 1 . . . . 91 TYR N . 7221 12 64 . 1 1 94 94 ASN N N 15 124.522 0.002 . 1 . . . . 94 ASN N . 7221 12 65 . 1 1 94 94 ASN ND2 N 15 113.400 0.002 . 1 . . . . 94 ASN ND2 . 7221 12 66 . 1 1 94 94 ASN HD21 H 1 7.396 0.02 . 1 . . . . 94 ASN HD21 . 7221 12 67 . 1 1 94 94 ASN HD22 H 1 6.913 0.02 . 1 . . . . 94 ASN HD22 . 7221 12 68 . 1 1 96 96 HIS N N 15 116.551 0.002 . 1 . . . . 96 HIS N . 7221 12 69 . 1 1 96 96 HIS H H 1 8.310 0.02 . 1 . . . . 96 HIS HN . 7221 12 70 . 1 1 97 97 ALA H H 1 7.404 0.02 . 1 . . . . 97 ALA HN . 7221 12 71 . 1 1 98 98 LYS N N 15 127.640 0.02 . 1 . . . . 98 LYS N . 7221 12 72 . 1 1 98 98 LYS H H 1 8.060 0.002 . 1 . . . . 98 LYS HN . 7221 12 73 . 1 1 46 46 VAL N N 15 126.829 0.002 . 1 . . . . 46 VAL N . 7221 12 74 . 1 1 63 63 LYS H H 1 7.557 0.02 . 1 . . . . 63 LYS HN . 7221 12 stop_ save_ save_chem_shift_list_13 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_13 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 13 _Assigned_chem_shift_list.Sample_condition_list_ID 13 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_13 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 13 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 VAL N N 15 122.748 0.002 . 1 . . . . 2 VAL N . 7221 13 2 . 1 1 2 2 VAL H H 1 8.486 0.02 . 1 . . . . 2 VAL HN . 7221 13 3 . 1 1 3 3 TYR N N 15 120.612 0.002 . 1 . . . . 3 TYR N . 7221 13 4 . 1 1 3 3 TYR H H 1 8.777 0.02 . 1 . . . . 3 TYR HN . 7221 13 5 . 1 1 4 4 HIS N N 15 121.737 0.002 . 1 . . . . 4 HIS N . 7221 13 6 . 1 1 4 4 HIS H H 1 9.294 0.02 . 1 . . . . 4 HIS HN . 7221 13 7 . 1 1 5 5 ARG H H 1 8.747 0.02 . 1 . . . . 5 ARG HN . 7221 13 8 . 1 1 5 5 ARG HE H 1 8.772 0.02 . 1 . . . . 5 ARG HE . 7221 13 9 . 1 1 6 6 GLU H H 1 8.168 0.02 . 1 . . . . 6 GLU HN . 7221 13 10 . 1 1 7 7 ALA N N 15 123.664 0.002 . 1 . . . . 7 ALA N . 7221 13 11 . 1 1 7 7 ALA H H 1 8.866 0.02 . 1 . . . . 7 ALA HN . 7221 13 12 . 1 1 10 10 GLY N N 15 109.785 0.002 . 1 . . . . 10 GLY N . 7221 13 13 . 1 1 11 11 LYS H H 1 8.010 0.02 . 1 . . . . 11 LYS HN . 7221 13 14 . 1 1 12 12 TYR N N 15 123.530 0.002 . 1 . . . . 12 TYR N . 7221 13 15 . 1 1 12 12 TYR H H 1 10.048 0.02 . 1 . . . . 12 TYR HN . 7221 13 16 . 1 1 13 13 LYS H H 1 8.537 0.02 . 1 . . . . 13 LYS HN . 7221 13 17 . 1 1 14 14 LEU N N 15 123.473 0.002 . 1 . . . . 14 LEU N . 7221 13 18 . 1 1 14 14 LEU H H 1 9.560 0.02 . 1 . . . . 14 LEU HN . 7221 13 19 . 1 1 15 15 THR N N 15 116.113 0.002 . 1 . . . . 15 THR N . 7221 13 20 . 1 1 15 15 THR H H 1 8.822 0.02 . 1 . . . . 15 THR HN . 7221 13 21 . 1 1 18 18 GLU N N 15 117.802 0.002 . 1 . . . . 18 GLU N . 7221 13 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 13 23 . 1 1 21 21 ALA N N 15 117.568 0.002 . 1 . . . . 21 ALA N . 7221 13 24 . 1 1 21 21 ALA H H 1 7.419 0.02 . 1 . . . . 21 ALA HN . 7221 13 25 . 1 1 25 25 PHE H H 1 9.006 0.02 . 1 . . . . 25 PHE HN . 7221 13 26 . 1 1 27 27 GLY H H 1 7.736 0.02 . 1 . . . . 27 GLY HN . 7221 13 27 . 1 1 28 28 GLY N N 15 109.818 0.002 . 1 . . . . 28 GLY N . 7221 13 28 . 1 1 28 28 GLY H H 1 7.800 0.02 . 1 . . . . 28 GLY HN . 7221 13 29 . 1 1 29 29 HIS N N 15 116.774 0.002 . 1 . . . . 29 HIS N . 7221 13 30 . 1 1 29 29 HIS H H 1 8.404 0.02 . 1 . . . . 29 HIS HN . 7221 13 31 . 1 1 30 30 LEU N N 15 123.727 0.002 . 1 . . . . 30 LEU N . 7221 13 32 . 1 1 30 30 LEU H H 1 9.331 0.02 . 1 . . . . 30 LEU HN . 7221 13 33 . 1 1 34 34 LYS N N 15 116.517 0.002 . 1 . . . . 34 LYS N . 7221 13 34 . 1 1 35 35 GLN NE2 N 15 106.979 0.002 . 1 . . . . 35 GLN NE2 . 7221 13 35 . 1 1 35 35 GLN HE21 H 1 6.695 0.02 . 1 . . . . 35 GLN HE21 . 7221 13 36 . 1 1 35 35 GLN HE22 H 1 5.260 0.02 . 1 . . . . 35 GLN HE22 . 7221 13 37 . 1 1 37 37 GLU N N 15 120.471 0.002 . 1 . . . . 37 GLU N . 7221 13 38 . 1 1 38 38 ALA N N 15 121.301 0.002 . 1 . . . . 38 ALA N . 7221 13 39 . 1 1 39 39 ALA H H 1 7.576 0.02 . 1 . . . . 39 ALA HN . 7221 13 40 . 1 1 40 40 ARG N N 15 124.620 0.002 . 1 . . . . 40 ARG N . 7221 13 41 . 1 1 40 40 ARG H H 1 8.817 0.02 . 1 . . . . 40 ARG HN . 7221 13 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 13 43 . 1 1 42 42 ILE H H 1 7.318 0.02 . 1 . . . . 42 ILE HN . 7221 13 44 . 1 1 44 44 PHE H H 1 8.047 0.02 . 1 . . . . 44 PHE HN . 7221 13 45 . 1 1 47 47 CYS N N 15 127.254 0.002 . 1 . . . . 47 CYS N . 7221 13 46 . 1 1 47 47 CYS H H 1 8.642 0.02 . 1 . . . . 47 CYS HN . 7221 13 47 . 1 1 48 48 ALA N N 15 120.964 0.002 . 1 . . . . 48 ALA N . 7221 13 48 . 1 1 49 49 ALA N N 15 130.536 0.002 . 1 . . . . 49 ALA N . 7221 13 49 . 1 1 49 49 ALA H H 1 8.337 0.02 . 1 . . . . 49 ALA HN . 7221 13 50 . 1 1 50 50 GLY H H 1 8.712 0.02 . 1 . . . . 50 GLY HN . 7221 13 51 . 1 1 52 52 MET N N 15 118.514 0.002 . 1 . . . . 52 MET N . 7221 13 52 . 1 1 52 52 MET H H 1 9.130 0.02 . 1 . . . . 52 MET HN . 7221 13 53 . 1 1 54 54 LYS H H 1 8.914 0.02 . 1 . . . . 54 LYS HN . 7221 13 54 . 1 1 56 56 ARG HE H 1 7.893 0.02 . 1 . . . . 56 ARG HE . 7221 13 55 . 1 1 69 69 GLY N N 15 114.382 0.002 . 1 . . . . 69 GLY N . 7221 13 56 . 1 1 70 70 PHE N N 15 111.479 0.002 . 1 . . . . 70 PHE N . 7221 13 57 . 1 1 71 71 GLY H H 1 7.383 0.02 . 1 . . . . 71 GLY HN . 7221 13 58 . 1 1 72 72 LYS H H 1 6.968 0.02 . 1 . . . . 72 LYS HN . 7221 13 59 . 1 1 74 74 GLY N N 15 109.603 0.002 . 1 . . . . 74 GLY N . 7221 13 60 . 1 1 77 77 ASP H H 1 7.997 0.02 . 1 . . . . 77 ASP HN . 7221 13 61 . 1 1 81 81 ARG HE H 1 9.918 0.02 . 1 . . . . 81 ARG HE . 7221 13 62 . 1 1 90 90 ALA N N 15 121.235 0.002 . 1 . . . . 90 ALA N . 7221 13 63 . 1 1 91 91 TYR N N 15 117.688 0.002 . 1 . . . . 91 TYR N . 7221 13 64 . 1 1 94 94 ASN N N 15 124.495 0.002 . 1 . . . . 94 ASN N . 7221 13 65 . 1 1 94 94 ASN ND2 N 15 113.342 0.002 . 1 . . . . 94 ASN ND2 . 7221 13 66 . 1 1 94 94 ASN HD21 H 1 7.394 0.02 . 1 . . . . 94 ASN HD21 . 7221 13 67 . 1 1 94 94 ASN HD22 H 1 6.907 0.02 . 1 . . . . 94 ASN HD22 . 7221 13 68 . 1 1 96 96 HIS N N 15 116.657 0.002 . 1 . . . . 96 HIS N . 7221 13 69 . 1 1 96 96 HIS H H 1 8.281 0.02 . 1 . . . . 96 HIS HN . 7221 13 70 . 1 1 97 97 ALA H H 1 7.399 0.02 . 1 . . . . 97 ALA HN . 7221 13 71 . 1 1 98 98 LYS N N 15 127.640 0.02 . 1 . . . . 98 LYS N . 7221 13 72 . 1 1 98 98 LYS H H 1 8.060 0.002 . 1 . . . . 98 LYS HN . 7221 13 73 . 1 1 46 46 VAL N N 15 126.871 0.002 . 1 . . . . 46 VAL N . 7221 13 74 . 1 1 63 63 LYS H H 1 7.562 0.02 . 1 . . . . 63 LYS HN . 7221 13 stop_ save_ save_chem_shift_list_14 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_14 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 14 _Assigned_chem_shift_list.Sample_condition_list_ID 14 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_14 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 14 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 VAL N N 15 122.623 0.002 . 1 . . . . 2 VAL N . 7221 14 2 . 1 1 2 2 VAL H H 1 8.466 0.02 . 1 . . . . 2 VAL HN . 7221 14 3 . 1 1 3 3 TYR N N 15 120.728 0.002 . 1 . . . . 3 TYR N . 7221 14 4 . 1 1 3 3 TYR H H 1 8.782 0.02 . 1 . . . . 3 TYR HN . 7221 14 5 . 1 1 4 4 HIS N N 15 121.977 0.002 . 1 . . . . 4 HIS N . 7221 14 6 . 1 1 4 4 HIS H H 1 9.244 0.02 . 1 . . . . 4 HIS HN . 7221 14 7 . 1 1 5 5 ARG H H 1 8.727 0.02 . 1 . . . . 5 ARG HN . 7221 14 8 . 1 1 5 5 ARG HE H 1 8.766 0.02 . 1 . . . . 5 ARG HE . 7221 14 9 . 1 1 6 6 GLU H H 1 8.138 0.02 . 1 . . . . 6 GLU HN . 7221 14 10 . 1 1 7 7 ALA N N 15 123.712 0.002 . 1 . . . . 7 ALA N . 7221 14 11 . 1 1 7 7 ALA H H 1 8.893 0.02 . 1 . . . . 7 ALA HN . 7221 14 12 . 1 1 10 10 GLY N N 15 109.818 0.002 . 1 . . . . 10 GLY N . 7221 14 13 . 1 1 11 11 LYS H H 1 7.993 0.02 . 1 . . . . 11 LYS HN . 7221 14 14 . 1 1 12 12 TYR N N 15 123.706 0.002 . 1 . . . . 12 TYR N . 7221 14 15 . 1 1 12 12 TYR H H 1 10.111 0.02 . 1 . . . . 12 TYR HN . 7221 14 16 . 1 1 13 13 LYS H H 1 8.557 0.02 . 1 . . . . 13 LYS HN . 7221 14 17 . 1 1 14 14 LEU N N 15 123.536 0.002 . 1 . . . . 14 LEU N . 7221 14 18 . 1 1 14 14 LEU H H 1 9.569 0.02 . 1 . . . . 14 LEU HN . 7221 14 19 . 1 1 15 15 THR N N 15 116.095 0.002 . 1 . . . . 15 THR N . 7221 14 20 . 1 1 15 15 THR H H 1 8.811 0.02 . 1 . . . . 15 THR HN . 7221 14 21 . 1 1 18 18 GLU N N 15 117.802 0.002 . 1 . . . . 18 GLU N . 7221 14 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 14 23 . 1 1 21 21 ALA N N 15 117.547 0.002 . 1 . . . . 21 ALA N . 7221 14 24 . 1 1 21 21 ALA H H 1 7.413 0.02 . 1 . . . . 21 ALA HN . 7221 14 25 . 1 1 25 25 PHE H H 1 9.003 0.02 . 1 . . . . 25 PHE HN . 7221 14 26 . 1 1 27 27 GLY H H 1 7.740 0.02 . 1 . . . . 27 GLY HN . 7221 14 27 . 1 1 28 28 GLY N N 15 109.914 0.002 . 1 . . . . 28 GLY N . 7221 14 28 . 1 1 28 28 GLY H H 1 7.807 0.02 . 1 . . . . 28 GLY HN . 7221 14 29 . 1 1 29 29 HIS N N 15 116.962 0.002 . 1 . . . . 29 HIS N . 7221 14 30 . 1 1 29 29 HIS H H 1 8.389 0.02 . 1 . . . . 29 HIS HN . 7221 14 31 . 1 1 30 30 LEU N N 15 123.647 0.002 . 1 . . . . 30 LEU N . 7221 14 32 . 1 1 30 30 LEU H H 1 9.305 0.02 . 1 . . . . 30 LEU HN . 7221 14 33 . 1 1 34 34 LYS N N 15 116.510 0.002 . 1 . . . . 34 LYS N . 7221 14 34 . 1 1 35 35 GLN NE2 N 15 106.979 0.002 . 1 . . . . 35 GLN NE2 . 7221 14 35 . 1 1 35 35 GLN HE21 H 1 6.695 0.02 . 1 . . . . 35 GLN HE21 . 7221 14 36 . 1 1 35 35 GLN HE22 H 1 5.260 0.02 . 1 . . . . 35 GLN HE22 . 7221 14 37 . 1 1 37 37 GLU N N 15 120.461 0.002 . 1 . . . . 37 GLU N . 7221 14 38 . 1 1 38 38 ALA N N 15 121.295 0.002 . 1 . . . . 38 ALA N . 7221 14 39 . 1 1 39 39 ALA H H 1 7.579 0.02 . 1 . . . . 39 ALA HN . 7221 14 40 . 1 1 40 40 ARG N N 15 124.620 0.002 . 1 . . . . 40 ARG N . 7221 14 41 . 1 1 40 40 ARG H H 1 8.821 0.02 . 1 . . . . 40 ARG HN . 7221 14 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 14 43 . 1 1 42 42 ILE H H 1 7.318 0.02 . 1 . . . . 42 ILE HN . 7221 14 44 . 1 1 44 44 PHE H H 1 8.047 0.02 . 1 . . . . 44 PHE HN . 7221 14 45 . 1 1 47 47 CYS N N 15 127.201 0.002 . 1 . . . . 47 CYS N . 7221 14 46 . 1 1 47 47 CYS H H 1 8.630 0.02 . 1 . . . . 47 CYS HN . 7221 14 47 . 1 1 48 48 ALA N N 15 121.080 0.002 . 1 . . . . 48 ALA N . 7221 14 48 . 1 1 49 49 ALA N N 15 130.461 0.002 . 1 . . . . 49 ALA N . 7221 14 49 . 1 1 49 49 ALA H H 1 8.336 0.02 . 1 . . . . 49 ALA HN . 7221 14 50 . 1 1 50 50 GLY H H 1 8.703 0.02 . 1 . . . . 50 GLY HN . 7221 14 51 . 1 1 52 52 MET N N 15 118.443 0.002 . 1 . . . . 52 MET N . 7221 14 52 . 1 1 52 52 MET H H 1 9.122 0.02 . 1 . . . . 52 MET HN . 7221 14 53 . 1 1 54 54 LYS H H 1 8.914 0.02 . 1 . . . . 54 LYS HN . 7221 14 54 . 1 1 56 56 ARG HE H 1 7.893 0.02 . 1 . . . . 56 ARG HE . 7221 14 55 . 1 1 69 69 GLY N N 15 114.346 0.002 . 1 . . . . 69 GLY N . 7221 14 56 . 1 1 70 70 PHE N N 15 111.475 0.002 . 1 . . . . 70 PHE N . 7221 14 57 . 1 1 71 71 GLY H H 1 7.384 0.02 . 1 . . . . 71 GLY HN . 7221 14 58 . 1 1 72 72 LYS H H 1 6.968 0.02 . 1 . . . . 72 LYS HN . 7221 14 59 . 1 1 74 74 GLY N N 15 109.599 0.002 . 1 . . . . 74 GLY N . 7221 14 60 . 1 1 77 77 ASP H H 1 7.994 0.02 . 1 . . . . 77 ASP HN . 7221 14 61 . 1 1 81 81 ARG HE H 1 9.918 0.02 . 1 . . . . 81 ARG HE . 7221 14 62 . 1 1 90 90 ALA N N 15 121.305 0.002 . 1 . . . . 90 ALA N . 7221 14 63 . 1 1 91 91 TYR N N 15 117.545 0.002 . 1 . . . . 91 TYR N . 7221 14 64 . 1 1 94 94 ASN N N 15 124.412 0.002 . 1 . . . . 94 ASN N . 7221 14 65 . 1 1 94 94 ASN ND2 N 15 113.230 0.002 . 1 . . . . 94 ASN ND2 . 7221 14 66 . 1 1 94 94 ASN HD21 H 1 7.390 0.02 . 1 . . . . 94 ASN HD21 . 7221 14 67 . 1 1 94 94 ASN HD22 H 1 6.897 0.02 . 1 . . . . 94 ASN HD22 . 7221 14 68 . 1 1 96 96 HIS N N 15 116.881 0.002 . 1 . . . . 96 HIS N . 7221 14 69 . 1 1 96 96 HIS H H 1 8.238 0.02 . 1 . . . . 96 HIS HN . 7221 14 70 . 1 1 97 97 ALA H H 1 7.388 0.02 . 1 . . . . 97 ALA HN . 7221 14 71 . 1 1 98 98 LYS N N 15 127.646 0.02 . 1 . . . . 98 LYS N . 7221 14 72 . 1 1 98 98 LYS H H 1 8.057 0.002 . 1 . . . . 98 LYS HN . 7221 14 73 . 1 1 46 46 VAL N N 15 126.953 0.002 . 1 . . . . 46 VAL N . 7221 14 74 . 1 1 63 63 LYS H H 1 7.565 0.02 . 1 . . . . 63 LYS HN . 7221 14 stop_ save_ save_chem_shift_list_15 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_15 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 15 _Assigned_chem_shift_list.Sample_condition_list_ID 15 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_15 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 15 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 VAL N N 15 122.558 0.002 . 1 . . . . 2 VAL N . 7221 15 2 . 1 1 2 2 VAL H H 1 8.452 0.02 . 1 . . . . 2 VAL HN . 7221 15 3 . 1 1 3 3 TYR N N 15 120.788 0.002 . 1 . . . . 3 TYR N . 7221 15 4 . 1 1 3 3 TYR H H 1 8.785 0.02 . 1 . . . . 3 TYR HN . 7221 15 5 . 1 1 4 4 HIS N N 15 122.124 0.002 . 1 . . . . 4 HIS N . 7221 15 6 . 1 1 4 4 HIS H H 1 9.213 0.02 . 1 . . . . 4 HIS HN . 7221 15 7 . 1 1 5 5 ARG H H 1 8.712 0.02 . 1 . . . . 5 ARG HN . 7221 15 8 . 1 1 5 5 ARG HE H 1 8.761 0.02 . 1 . . . . 5 ARG HE . 7221 15 9 . 1 1 6 6 GLU H H 1 8.117 0.02 . 1 . . . . 6 GLU HN . 7221 15 10 . 1 1 7 7 ALA N N 15 123.743 0.002 . 1 . . . . 7 ALA N . 7221 15 11 . 1 1 7 7 ALA H H 1 8.909 0.02 . 1 . . . . 7 ALA HN . 7221 15 12 . 1 1 10 10 GLY N N 15 109.857 0.002 . 1 . . . . 10 GLY N . 7221 15 13 . 1 1 11 11 LYS H H 1 7.984 0.02 . 1 . . . . 11 LYS HN . 7221 15 14 . 1 1 12 12 TYR N N 15 123.802 0.002 . 1 . . . . 12 TYR N . 7221 15 15 . 1 1 12 12 TYR H H 1 10.147 0.02 . 1 . . . . 12 TYR HN . 7221 15 16 . 1 1 13 13 LYS H H 1 8.567 0.02 . 1 . . . . 13 LYS HN . 7221 15 17 . 1 1 14 14 LEU N N 15 123.545 0.002 . 1 . . . . 14 LEU N . 7221 15 18 . 1 1 14 14 LEU H H 1 9.573 0.02 . 1 . . . . 14 LEU HN . 7221 15 19 . 1 1 15 15 THR N N 15 116.086 0.002 . 1 . . . . 15 THR N . 7221 15 20 . 1 1 15 15 THR H H 1 8.808 0.02 . 1 . . . . 15 THR HN . 7221 15 21 . 1 1 18 18 GLU N N 15 117.772 0.002 . 1 . . . . 18 GLU N . 7221 15 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 15 23 . 1 1 21 21 ALA N N 15 117.548 0.002 . 1 . . . . 21 ALA N . 7221 15 24 . 1 1 21 21 ALA H H 1 7.410 0.02 . 1 . . . . 21 ALA HN . 7221 15 25 . 1 1 25 25 PHE H H 1 8.999 0.02 . 1 . . . . 25 PHE HN . 7221 15 26 . 1 1 27 27 GLY H H 1 7.740 0.02 . 1 . . . . 27 GLY HN . 7221 15 27 . 1 1 28 28 GLY N N 15 109.971 0.002 . 1 . . . . 28 GLY N . 7221 15 28 . 1 1 28 28 GLY H H 1 7.810 0.02 . 1 . . . . 28 GLY HN . 7221 15 29 . 1 1 29 29 HIS N N 15 117.099 0.002 . 1 . . . . 29 HIS N . 7221 15 30 . 1 1 29 29 HIS H H 1 8.380 0.02 . 1 . . . . 29 HIS HN . 7221 15 31 . 1 1 30 30 LEU N N 15 123.548 0.002 . 1 . . . . 30 LEU N . 7221 15 32 . 1 1 30 30 LEU H H 1 9.290 0.02 . 1 . . . . 30 LEU HN . 7221 15 33 . 1 1 34 34 LYS N N 15 116.510 0.002 . 1 . . . . 34 LYS N . 7221 15 34 . 1 1 35 35 GLN NE2 N 15 106.838 0.002 . 1 . . . . 35 GLN NE2 . 7221 15 35 . 1 1 35 35 GLN HE21 H 1 6.670 0.02 . 1 . . . . 35 GLN HE21 . 7221 15 36 . 1 1 35 35 GLN HE22 H 1 5.245 0.02 . 1 . . . . 35 GLN HE22 . 7221 15 37 . 1 1 37 37 GLU N N 15 120.461 0.002 . 1 . . . . 37 GLU N . 7221 15 38 . 1 1 38 38 ALA N N 15 121.321 0.002 . 1 . . . . 38 ALA N . 7221 15 39 . 1 1 39 39 ALA H H 1 7.579 0.02 . 1 . . . . 39 ALA HN . 7221 15 40 . 1 1 40 40 ARG N N 15 124.620 0.002 . 1 . . . . 40 ARG N . 7221 15 41 . 1 1 40 40 ARG H H 1 8.821 0.02 . 1 . . . . 40 ARG HN . 7221 15 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 15 43 . 1 1 42 42 ILE H H 1 7.318 0.02 . 1 . . . . 42 ILE HN . 7221 15 44 . 1 1 44 44 PHE H H 1 8.048 0.02 . 1 . . . . 44 PHE HN . 7221 15 45 . 1 1 47 47 CYS N N 15 127.193 0.002 . 1 . . . . 47 CYS N . 7221 15 46 . 1 1 47 47 CYS H H 1 8.628 0.02 . 1 . . . . 47 CYS HN . 7221 15 47 . 1 1 48 48 ALA N N 15 121.097 0.002 . 1 . . . . 48 ALA N . 7221 15 48 . 1 1 49 49 ALA N N 15 130.419 0.002 . 1 . . . . 49 ALA N . 7221 15 49 . 1 1 49 49 ALA H H 1 8.330 0.02 . 1 . . . . 49 ALA HN . 7221 15 50 . 1 1 50 50 GLY H H 1 8.699 0.02 . 1 . . . . 50 GLY HN . 7221 15 51 . 1 1 52 52 MET N N 15 118.406 0.002 . 1 . . . . 52 MET N . 7221 15 52 . 1 1 52 52 MET H H 1 9.118 0.02 . 1 . . . . 52 MET HN . 7221 15 53 . 1 1 54 54 LYS H H 1 8.914 0.02 . 1 . . . . 54 LYS HN . 7221 15 54 . 1 1 56 56 ARG HE H 1 7.904 0.02 . 1 . . . . 56 ARG HE . 7221 15 55 . 1 1 69 69 GLY N N 15 114.377 0.002 . 1 . . . . 69 GLY N . 7221 15 56 . 1 1 70 70 PHE N N 15 111.461 0.002 . 1 . . . . 70 PHE N . 7221 15 57 . 1 1 71 71 GLY H H 1 7.384 0.02 . 1 . . . . 71 GLY HN . 7221 15 58 . 1 1 72 72 LYS H H 1 6.968 0.02 . 1 . . . . 72 LYS HN . 7221 15 59 . 1 1 74 74 GLY N N 15 109.618 0.002 . 1 . . . . 74 GLY N . 7221 15 60 . 1 1 77 77 ASP H H 1 7.992 0.02 . 1 . . . . 77 ASP HN . 7221 15 61 . 1 1 81 81 ARG HE H 1 9.922 0.02 . 1 . . . . 81 ARG HE . 7221 15 62 . 1 1 90 90 ALA N N 15 121.330 0.002 . 1 . . . . 90 ALA N . 7221 15 63 . 1 1 91 91 TYR N N 15 117.431 0.002 . 1 . . . . 91 TYR N . 7221 15 64 . 1 1 94 94 ASN N N 15 124.384 0.002 . 1 . . . . 94 ASN N . 7221 15 65 . 1 1 94 94 ASN ND2 N 15 113.173 0.002 . 1 . . . . 94 ASN ND2 . 7221 15 66 . 1 1 94 94 ASN HD21 H 1 7.385 0.02 . 1 . . . . 94 ASN HD21 . 7221 15 67 . 1 1 94 94 ASN HD22 H 1 6.891 0.02 . 1 . . . . 94 ASN HD22 . 7221 15 68 . 1 1 96 96 HIS N N 15 117.008 0.002 . 1 . . . . 96 HIS N . 7221 15 69 . 1 1 96 96 HIS H H 1 8.215 0.02 . 1 . . . . 96 HIS HN . 7221 15 70 . 1 1 97 97 ALA H H 1 7.384 0.02 . 1 . . . . 97 ALA HN . 7221 15 71 . 1 1 98 98 LYS N N 15 127.640 0.02 . 1 . . . . 98 LYS N . 7221 15 72 . 1 1 98 98 LYS H H 1 8.054 0.002 . 1 . . . . 98 LYS HN . 7221 15 73 . 1 1 46 46 VAL N N 15 127.015 0.002 . 1 . . . . 46 VAL N . 7221 15 74 . 1 1 63 63 LYS H H 1 7.567 0.02 . 1 . . . . 63 LYS HN . 7221 15 stop_ save_ save_chem_shift_list_16 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_16 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 16 _Assigned_chem_shift_list.Sample_condition_list_ID 16 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_16 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 16 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 VAL N N 15 122.385 0.002 . 1 . . . . 2 VAL N . 7221 16 2 . 1 1 2 2 VAL H H 1 8.414 0.02 . 1 . . . . 2 VAL HN . 7221 16 3 . 1 1 3 3 TYR N N 15 120.895 0.002 . 1 . . . . 3 TYR N . 7221 16 4 . 1 1 3 3 TYR H H 1 8.794 0.02 . 1 . . . . 3 TYR HN . 7221 16 5 . 1 1 4 4 HIS N N 15 122.344 0.002 . 1 . . . . 4 HIS N . 7221 16 6 . 1 1 4 4 HIS H H 1 9.168 0.02 . 1 . . . . 4 HIS HN . 7221 16 7 . 1 1 5 5 ARG H H 1 8.692 0.02 . 1 . . . . 5 ARG HN . 7221 16 8 . 1 1 5 5 ARG HE H 1 8.758 0.02 . 1 . . . . 5 ARG HE . 7221 16 9 . 1 1 6 6 GLU H H 1 8.089 0.02 . 1 . . . . 6 GLU HN . 7221 16 10 . 1 1 7 7 ALA N N 15 123.776 0.002 . 1 . . . . 7 ALA N . 7221 16 11 . 1 1 7 7 ALA H H 1 8.934 0.02 . 1 . . . . 7 ALA HN . 7221 16 12 . 1 1 10 10 GLY N N 15 109.888 0.002 . 1 . . . . 10 GLY N . 7221 16 13 . 1 1 11 11 LYS H H 1 7.969 0.02 . 1 . . . . 11 LYS HN . 7221 16 14 . 1 1 12 12 TYR N N 15 124.010 0.002 . 1 . . . . 12 TYR N . 7221 16 15 . 1 1 12 12 TYR H H 1 10.208 0.02 . 1 . . . . 12 TYR HN . 7221 16 16 . 1 1 13 13 LYS H H 1 8.587 0.02 . 1 . . . . 13 LYS HN . 7221 16 17 . 1 1 14 14 LEU N N 15 123.626 0.002 . 1 . . . . 14 LEU N . 7221 16 18 . 1 1 14 14 LEU H H 1 9.583 0.02 . 1 . . . . 14 LEU HN . 7221 16 19 . 1 1 15 15 THR N N 15 116.033 0.002 . 1 . . . . 15 THR N . 7221 16 20 . 1 1 15 15 THR H H 1 8.798 0.02 . 1 . . . . 15 THR HN . 7221 16 21 . 1 1 18 18 GLU N N 15 117.772 0.002 . 1 . . . . 18 GLU N . 7221 16 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 16 23 . 1 1 21 21 ALA N N 15 117.498 0.002 . 1 . . . . 21 ALA N . 7221 16 24 . 1 1 21 21 ALA H H 1 7.407 0.02 . 1 . . . . 21 ALA HN . 7221 16 25 . 1 1 25 25 PHE H H 1 8.998 0.02 . 1 . . . . 25 PHE HN . 7221 16 26 . 1 1 27 27 GLY H H 1 7.747 0.02 . 1 . . . . 27 GLY HN . 7221 16 27 . 1 1 28 28 GLY N N 15 110.046 0.002 . 1 . . . . 28 GLY N . 7221 16 28 . 1 1 28 28 GLY H H 1 7.817 0.02 . 1 . . . . 28 GLY HN . 7221 16 29 . 1 1 29 29 HIS N N 15 117.278 0.002 . 1 . . . . 29 HIS N . 7221 16 30 . 1 1 29 29 HIS H H 1 8.357 0.02 . 1 . . . . 29 HIS HN . 7221 16 31 . 1 1 30 30 LEU N N 15 123.437 0.002 . 1 . . . . 30 LEU N . 7221 16 32 . 1 1 30 30 LEU H H 1 9.265 0.02 . 1 . . . . 30 LEU HN . 7221 16 33 . 1 1 34 34 LYS N N 15 116.508 0.002 . 1 . . . . 34 LYS N . 7221 16 34 . 1 1 35 35 GLN NE2 N 15 106.837 0.002 . 1 . . . . 35 GLN NE2 . 7221 16 35 . 1 1 35 35 GLN HE21 H 1 6.670 0.02 . 1 . . . . 35 GLN HE21 . 7221 16 36 . 1 1 35 35 GLN HE22 H 1 5.245 0.02 . 1 . . . . 35 GLN HE22 . 7221 16 37 . 1 1 37 37 GLU N N 15 120.461 0.002 . 1 . . . . 37 GLU N . 7221 16 38 . 1 1 38 38 ALA N N 15 121.308 0.002 . 1 . . . . 38 ALA N . 7221 16 39 . 1 1 39 39 ALA H H 1 7.586 0.02 . 1 . . . . 39 ALA HN . 7221 16 40 . 1 1 40 40 ARG N N 15 124.606 0.002 . 1 . . . . 40 ARG N . 7221 16 41 . 1 1 40 40 ARG H H 1 8.824 0.02 . 1 . . . . 40 ARG HN . 7221 16 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 16 43 . 1 1 42 42 ILE H H 1 7.321 0.02 . 1 . . . . 42 ILE HN . 7221 16 44 . 1 1 44 44 PHE H H 1 8.049 0.02 . 1 . . . . 44 PHE HN . 7221 16 45 . 1 1 47 47 CYS N N 15 127.174 0.002 . 1 . . . . 47 CYS N . 7221 16 46 . 1 1 47 47 CYS H H 1 8.617 0.02 . 1 . . . . 47 CYS HN . 7221 16 47 . 1 1 48 48 ALA N N 15 121.234 0.002 . 1 . . . . 48 ALA N . 7221 16 48 . 1 1 49 49 ALA N N 15 130.363 0.002 . 1 . . . . 49 ALA N . 7221 16 49 . 1 1 49 49 ALA H H 1 8.328 0.02 . 1 . . . . 49 ALA HN . 7221 16 50 . 1 1 50 50 GLY H H 1 8.695 0.02 . 1 . . . . 50 GLY HN . 7221 16 51 . 1 1 52 52 MET N N 15 118.302 0.002 . 1 . . . . 52 MET N . 7221 16 52 . 1 1 52 52 MET H H 1 9.114 0.02 . 1 . . . . 52 MET HN . 7221 16 53 . 1 1 54 54 LYS H H 1 8.914 0.02 . 1 . . . . 54 LYS HN . 7221 16 54 . 1 1 56 56 ARG HE H 1 7.904 0.02 . 1 . . . . 56 ARG HE . 7221 16 55 . 1 1 69 69 GLY N N 15 114.377 0.002 . 1 . . . . 69 GLY N . 7221 16 56 . 1 1 70 70 PHE N N 15 111.476 0.002 . 1 . . . . 70 PHE N . 7221 16 57 . 1 1 71 71 GLY H H 1 7.384 0.02 . 1 . . . . 71 GLY HN . 7221 16 58 . 1 1 72 72 LYS H H 1 6.970 0.02 . 1 . . . . 72 LYS HN . 7221 16 59 . 1 1 74 74 GLY N N 15 109.642 0.002 . 1 . . . . 74 GLY N . 7221 16 60 . 1 1 77 77 ASP H H 1 7.990 0.02 . 1 . . . . 77 ASP HN . 7221 16 61 . 1 1 81 81 ARG HE H 1 9.920 0.02 . 1 . . . . 81 ARG HE . 7221 16 62 . 1 1 90 90 ALA N N 15 121.390 0.002 . 1 . . . . 90 ALA N . 7221 16 63 . 1 1 91 91 TYR N N 15 117.293 0.002 . 1 . . . . 91 TYR N . 7221 16 64 . 1 1 94 94 ASN N N 15 124.307 0.002 . 1 . . . . 94 ASN N . 7221 16 65 . 1 1 94 94 ASN ND2 N 15 113.054 0.002 . 1 . . . . 94 ASN ND2 . 7221 16 66 . 1 1 94 94 ASN HD21 H 1 7.383 0.02 . 1 . . . . 94 ASN HD21 . 7221 16 67 . 1 1 94 94 ASN HD22 H 1 6.873 0.02 . 1 . . . . 94 ASN HD22 . 7221 16 68 . 1 1 96 96 HIS N N 15 117.223 0.002 . 1 . . . . 96 HIS N . 7221 16 69 . 1 1 96 96 HIS H H 1 8.174 0.02 . 1 . . . . 96 HIS HN . 7221 16 70 . 1 1 97 97 ALA H H 1 7.381 0.02 . 1 . . . . 97 ALA HN . 7221 16 71 . 1 1 98 98 LYS N N 15 127.620 0.02 . 1 . . . . 98 LYS N . 7221 16 72 . 1 1 98 98 LYS H H 1 8.048 0.002 . 1 . . . . 98 LYS HN . 7221 16 73 . 1 1 46 46 VAL N N 15 127.079 0.002 . 1 . . . . 46 VAL N . 7221 16 74 . 1 1 63 63 LYS H H 1 7.573 0.02 . 1 . . . . 63 LYS HN . 7221 16 stop_ save_ save_chem_shift_list_17 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_17 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 17 _Assigned_chem_shift_list.Sample_condition_list_ID 17 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_17 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 17 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 VAL N N 15 122.116 0.002 . 1 . . . . 2 VAL N . 7221 17 2 . 1 1 2 2 VAL H H 1 8.358 0.02 . 1 . . . . 2 VAL HN . 7221 17 3 . 1 1 3 3 TYR N N 15 120.975 0.002 . 1 . . . . 3 TYR N . 7221 17 4 . 1 1 3 3 TYR H H 1 8.797 0.02 . 1 . . . . 3 TYR HN . 7221 17 5 . 1 1 4 4 HIS N N 15 122.512 0.002 . 1 . . . . 4 HIS N . 7221 17 6 . 1 1 4 4 HIS H H 1 9.137 0.02 . 1 . . . . 4 HIS HN . 7221 17 7 . 1 1 5 5 ARG H H 1 8.692 0.02 . 1 . . . . 5 ARG HN . 7221 17 8 . 1 1 5 5 ARG HE H 1 8.755 0.02 . 1 . . . . 5 ARG HE . 7221 17 9 . 1 1 6 6 GLU H H 1 8.068 0.02 . 1 . . . . 6 GLU HN . 7221 17 10 . 1 1 7 7 ALA N N 15 123.779 0.002 . 1 . . . . 7 ALA N . 7221 17 11 . 1 1 7 7 ALA H H 1 8.947 0.02 . 1 . . . . 7 ALA HN . 7221 17 12 . 1 1 10 10 GLY N N 15 109.924 0.002 . 1 . . . . 10 GLY N . 7221 17 13 . 1 1 11 11 LYS H H 1 7.957 0.02 . 1 . . . . 11 LYS HN . 7221 17 14 . 1 1 12 12 TYR N N 15 124.101 0.002 . 1 . . . . 12 TYR N . 7221 17 15 . 1 1 12 12 TYR H H 1 10.246 0.02 . 1 . . . . 12 TYR HN . 7221 17 16 . 1 1 13 13 LYS H H 1 8.597 0.02 . 1 . . . . 13 LYS HN . 7221 17 17 . 1 1 14 14 LEU N N 15 123.655 0.002 . 1 . . . . 14 LEU N . 7221 17 18 . 1 1 14 14 LEU H H 1 9.588 0.02 . 1 . . . . 14 LEU HN . 7221 17 19 . 1 1 15 15 THR N N 15 116.012 0.002 . 1 . . . . 15 THR N . 7221 17 20 . 1 1 15 15 THR H H 1 8.789 0.02 . 1 . . . . 15 THR HN . 7221 17 21 . 1 1 18 18 GLU N N 15 117.786 0.002 . 1 . . . . 18 GLU N . 7221 17 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 17 23 . 1 1 21 21 ALA N N 15 117.485 0.002 . 1 . . . . 21 ALA N . 7221 17 24 . 1 1 21 21 ALA H H 1 7.401 0.02 . 1 . . . . 21 ALA HN . 7221 17 25 . 1 1 25 25 PHE H H 1 8.992 0.02 . 1 . . . . 25 PHE HN . 7221 17 26 . 1 1 27 27 GLY H H 1 7.747 0.02 . 1 . . . . 27 GLY HN . 7221 17 27 . 1 1 28 28 GLY N N 15 110.107 0.002 . 1 . . . . 28 GLY N . 7221 17 28 . 1 1 28 28 GLY H H 1 7.818 0.02 . 1 . . . . 28 GLY HN . 7221 17 29 . 1 1 29 29 HIS N N 15 117.351 0.002 . 1 . . . . 29 HIS N . 7221 17 30 . 1 1 29 29 HIS H H 1 8.339 0.02 . 1 . . . . 29 HIS HN . 7221 17 31 . 1 1 30 30 LEU N N 15 123.388 0.002 . 1 . . . . 30 LEU N . 7221 17 32 . 1 1 30 30 LEU H H 1 9.249 0.02 . 1 . . . . 30 LEU HN . 7221 17 33 . 1 1 34 34 LYS N N 15 116.498 0.002 . 1 . . . . 34 LYS N . 7221 17 34 . 1 1 35 35 GLN NE2 N 15 106.698 0.002 . 1 . . . . 35 GLN NE2 . 7221 17 35 . 1 1 35 35 GLN HE21 H 1 6.642 0.02 . 1 . . . . 35 GLN HE21 . 7221 17 36 . 1 1 35 35 GLN HE22 H 1 5.222 0.02 . 1 . . . . 35 GLN HE22 . 7221 17 37 . 1 1 37 37 GLU N N 15 120.401 0.002 . 1 . . . . 37 GLU N . 7221 17 38 . 1 1 38 38 ALA N N 15 121.314 0.002 . 1 . . . . 38 ALA N . 7221 17 39 . 1 1 39 39 ALA H H 1 7.592 0.02 . 1 . . . . 39 ALA HN . 7221 17 40 . 1 1 40 40 ARG N N 15 124.606 0.002 . 1 . . . . 40 ARG N . 7221 17 41 . 1 1 40 40 ARG H H 1 8.824 0.02 . 1 . . . . 40 ARG HN . 7221 17 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 17 43 . 1 1 42 42 ILE H H 1 7.321 0.02 . 1 . . . . 42 ILE HN . 7221 17 44 . 1 1 44 44 PHE H H 1 8.049 0.02 . 1 . . . . 44 PHE HN . 7221 17 45 . 1 1 47 47 CYS N N 15 127.125 0.002 . 1 . . . . 47 CYS N . 7221 17 46 . 1 1 47 47 CYS H H 1 8.610 0.02 . 1 . . . . 47 CYS HN . 7221 17 47 . 1 1 48 48 ALA N N 15 121.285 0.002 . 1 . . . . 48 ALA N . 7221 17 48 . 1 1 49 49 ALA N N 15 130.292 0.002 . 1 . . . . 49 ALA N . 7221 17 49 . 1 1 49 49 ALA H H 1 8.325 0.02 . 1 . . . . 49 ALA HN . 7221 17 50 . 1 1 50 50 GLY H H 1 8.686 0.02 . 1 . . . . 50 GLY HN . 7221 17 51 . 1 1 52 52 MET N N 15 118.278 0.002 . 1 . . . . 52 MET N . 7221 17 52 . 1 1 52 52 MET H H 1 9.111 0.02 . 1 . . . . 52 MET HN . 7221 17 53 . 1 1 54 54 LYS H H 1 8.926 0.02 . 1 . . . . 54 LYS HN . 7221 17 54 . 1 1 56 56 ARG HE H 1 7.904 0.02 . 1 . . . . 56 ARG HE . 7221 17 55 . 1 1 69 69 GLY N N 15 114.377 0.002 . 1 . . . . 69 GLY N . 7221 17 56 . 1 1 70 70 PHE N N 15 111.466 0.002 . 1 . . . . 70 PHE N . 7221 17 57 . 1 1 71 71 GLY H H 1 7.384 0.02 . 1 . . . . 71 GLY HN . 7221 17 58 . 1 1 72 72 LYS H H 1 6.970 0.02 . 1 . . . . 72 LYS HN . 7221 17 59 . 1 1 74 74 GLY N N 15 109.625 0.002 . 1 . . . . 74 GLY N . 7221 17 60 . 1 1 77 77 ASP H H 1 7.986 0.02 . 1 . . . . 77 ASP HN . 7221 17 61 . 1 1 81 81 ARG HE H 1 9.925 0.02 . 1 . . . . 81 ARG HE . 7221 17 62 . 1 1 90 90 ALA N N 15 121.438 0.002 . 1 . . . . 90 ALA N . 7221 17 63 . 1 1 91 91 TYR N N 15 117.169 0.002 . 1 . . . . 91 TYR N . 7221 17 64 . 1 1 94 94 ASN N N 15 124.245 0.002 . 1 . . . . 94 ASN N . 7221 17 65 . 1 1 94 94 ASN ND2 N 15 112.937 0.002 . 1 . . . . 94 ASN ND2 . 7221 17 66 . 1 1 94 94 ASN HD21 H 1 7.373 0.02 . 1 . . . . 94 ASN HD21 . 7221 17 67 . 1 1 94 94 ASN HD22 H 1 6.865 0.02 . 1 . . . . 94 ASN HD22 . 7221 17 68 . 1 1 96 96 HIS N N 15 117.395 0.002 . 1 . . . . 96 HIS N . 7221 17 69 . 1 1 96 96 HIS H H 1 8.135 0.02 . 1 . . . . 96 HIS HN . 7221 17 70 . 1 1 97 97 ALA H H 1 7.379 0.02 . 1 . . . . 97 ALA HN . 7221 17 71 . 1 1 98 98 LYS N N 15 127.550 0.02 . 1 . . . . 98 LYS N . 7221 17 72 . 1 1 98 98 LYS H H 1 8.034 0.002 . 1 . . . . 98 LYS HN . 7221 17 73 . 1 1 46 46 VAL N N 15 127.125 0.002 . 1 . . . . 46 VAL N . 7221 17 74 . 1 1 63 63 LYS H H 1 7.573 0.02 . 1 . . . . 63 LYS HN . 7221 17 stop_ save_ save_chem_shift_list_18 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_18 _Assigned_chem_shift_list.Entry_ID 7221 _Assigned_chem_shift_list.ID 18 _Assigned_chem_shift_list.Sample_condition_list_ID 8 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_8 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _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 1H15N_HSQC_(example) 1 $sample_1 isotropic 7221 18 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 VAL N N 15 121.950 0.002 . 1 . . . . 2 VAL N . 7221 18 2 . 1 1 2 2 VAL H H 1 8.308 0.02 . 1 . . . . 2 VAL HN . 7221 18 3 . 1 1 3 3 TYR N N 15 120.996 0.002 . 1 . . . . 3 TYR N . 7221 18 4 . 1 1 3 3 TYR H H 1 8.802 0.02 . 1 . . . . 3 TYR HN . 7221 18 5 . 1 1 4 4 HIS N N 15 122.569 0.002 . 1 . . . . 4 HIS N . 7221 18 6 . 1 1 4 4 HIS H H 1 9.123 0.02 . 1 . . . . 4 HIS HN . 7221 18 7 . 1 1 5 5 ARG H H 1 8.673 0.02 . 1 . . . . 5 ARG HN . 7221 18 8 . 1 1 5 5 ARG HE H 1 8.755 0.02 . 1 . . . . 5 ARG HE . 7221 18 9 . 1 1 6 6 GLU H H 1 8.058 0.02 . 1 . . . . 6 GLU HN . 7221 18 10 . 1 1 7 7 ALA N N 15 123.787 0.002 . 1 . . . . 7 ALA N . 7221 18 11 . 1 1 7 7 ALA H H 1 8.953 0.02 . 1 . . . . 7 ALA HN . 7221 18 12 . 1 1 10 10 GLY N N 15 109.924 0.002 . 1 . . . . 10 GLY N . 7221 18 13 . 1 1 11 11 LYS H H 1 7.954 0.02 . 1 . . . . 11 LYS HN . 7221 18 14 . 1 1 12 12 TYR N N 15 124.149 0.002 . 1 . . . . 12 TYR N . 7221 18 15 . 1 1 12 12 TYR H H 1 10.263 0.02 . 1 . . . . 12 TYR HN . 7221 18 16 . 1 1 13 13 LYS H H 1 8.604 0.02 . 1 . . . . 13 LYS HN . 7221 18 17 . 1 1 14 14 LEU N N 15 123.675 0.002 . 1 . . . . 14 LEU N . 7221 18 18 . 1 1 14 14 LEU H H 1 9.591 0.02 . 1 . . . . 14 LEU HN . 7221 18 19 . 1 1 15 15 THR N N 15 116.005 0.002 . 1 . . . . 15 THR N . 7221 18 20 . 1 1 15 15 THR H H 1 8.788 0.02 . 1 . . . . 15 THR HN . 7221 18 21 . 1 1 18 18 GLU N N 15 117.779 0.002 . 1 . . . . 18 GLU N . 7221 18 22 . 1 1 20 20 LYS H H 1 8.304 0.02 . 1 . . . . 20 LYS HN . 7221 18 23 . 1 1 21 21 ALA N N 15 117.485 0.002 . 1 . . . . 21 ALA N . 7221 18 24 . 1 1 21 21 ALA H H 1 7.401 0.02 . 1 . . . . 21 ALA HN . 7221 18 25 . 1 1 25 25 PHE H H 1 8.990 0.02 . 1 . . . . 25 PHE HN . 7221 18 26 . 1 1 27 27 GLY H H 1 7.748 0.02 . 1 . . . . 27 GLY HN . 7221 18 27 . 1 1 28 28 GLY N N 15 110.119 0.002 . 1 . . . . 28 GLY N . 7221 18 28 . 1 1 28 28 GLY H H 1 7.821 0.02 . 1 . . . . 28 GLY HN . 7221 18 29 . 1 1 29 29 HIS N N 15 117.412 0.002 . 1 . . . . 29 HIS N . 7221 18 30 . 1 1 29 29 HIS H H 1 8.328 0.02 . 1 . . . . 29 HIS HN . 7221 18 31 . 1 1 30 30 LEU N N 15 123.339 0.002 . 1 . . . . 30 LEU N . 7221 18 32 . 1 1 30 30 LEU H H 1 9.240 0.02 . 1 . . . . 30 LEU HN . 7221 18 33 . 1 1 34 34 LYS N N 15 116.498 0.002 . 1 . . . . 34 LYS N . 7221 18 34 . 1 1 35 35 GLN NE2 N 15 106.663 0.002 . 1 . . . . 35 GLN NE2 . 7221 18 35 . 1 1 35 35 GLN HE21 H 1 6.637 0.02 . 1 . . . . 35 GLN HE21 . 7221 18 36 . 1 1 35 35 GLN HE22 H 1 5.219 0.02 . 1 . . . . 35 GLN HE22 . 7221 18 37 . 1 1 37 37 GLU N N 15 120.401 0.002 . 1 . . . . 37 GLU N . 7221 18 38 . 1 1 38 38 ALA N N 15 121.314 0.002 . 1 . . . . 38 ALA N . 7221 18 39 . 1 1 39 39 ALA H H 1 7.596 0.02 . 1 . . . . 39 ALA HN . 7221 18 40 . 1 1 40 40 ARG N N 15 124.606 0.002 . 1 . . . . 40 ARG N . 7221 18 41 . 1 1 40 40 ARG H H 1 8.824 0.02 . 1 . . . . 40 ARG HN . 7221 18 42 . 1 1 40 40 ARG HE H 1 9.515 0.02 . 1 . . . . 40 ARG H . 7221 18 43 . 1 1 42 42 ILE H H 1 7.321 0.02 . 1 . . . . 42 ILE HN . 7221 18 44 . 1 1 44 44 PHE H H 1 8.049 0.02 . 1 . . . . 44 PHE HN . 7221 18 45 . 1 1 47 47 CYS N N 15 127.125 0.002 . 1 . . . . 47 CYS N . 7221 18 46 . 1 1 47 47 CYS H H 1 8.607 0.02 . 1 . . . . 47 CYS HN . 7221 18 47 . 1 1 48 48 ALA N N 15 121.310 0.002 . 1 . . . . 48 ALA N . 7221 18 48 . 1 1 49 49 ALA N N 15 130.292 0.002 . 1 . . . . 49 ALA N . 7221 18 49 . 1 1 49 49 ALA H H 1 8.325 0.02 . 1 . . . . 49 ALA HN . 7221 18 50 . 1 1 50 50 GLY H H 1 8.686 0.02 . 1 . . . . 50 GLY HN . 7221 18 51 . 1 1 52 52 MET N N 15 118.278 0.002 . 1 . . . . 52 MET N . 7221 18 52 . 1 1 52 52 MET H H 1 9.111 0.02 . 1 . . . . 52 MET HN . 7221 18 53 . 1 1 54 54 LYS H H 1 8.926 0.02 . 1 . . . . 54 LYS HN . 7221 18 54 . 1 1 56 56 ARG HE H 1 7.904 0.02 . 1 . . . . 56 ARG HE . 7221 18 55 . 1 1 69 69 GLY N N 15 114.377 0.002 . 1 . . . . 69 GLY N . 7221 18 56 . 1 1 70 70 PHE N N 15 111.466 0.002 . 1 . . . . 70 PHE N . 7221 18 57 . 1 1 71 71 GLY H H 1 7.387 0.02 . 1 . . . . 71 GLY HN . 7221 18 58 . 1 1 72 72 LYS H H 1 6.970 0.02 . 1 . . . . 72 LYS HN . 7221 18 59 . 1 1 74 74 GLY N N 15 109.625 0.002 . 1 . . . . 74 GLY N . 7221 18 60 . 1 1 77 77 ASP H H 1 7.986 0.02 . 1 . . . . 77 ASP HN . 7221 18 61 . 1 1 81 81 ARG HE H 1 9.925 0.02 . 1 . . . . 81 ARG HE . 7221 18 62 . 1 1 90 90 ALA N N 15 121.438 0.002 . 1 . . . . 90 ALA N . 7221 18 63 . 1 1 91 91 TYR N N 15 117.161 0.002 . 1 . . . . 91 TYR N . 7221 18 64 . 1 1 94 94 ASN N N 15 124.184 0.002 . 1 . . . . 94 ASN N . 7221 18 65 . 1 1 94 94 ASN ND2 N 15 112.814 0.002 . 1 . . . . 94 ASN ND2 . 7221 18 66 . 1 1 94 94 ASN HD21 H 1 7.368 0.02 . 1 . . . . 94 ASN HD21 . 7221 18 67 . 1 1 94 94 ASN HD22 H 1 6.857 0.02 . 1 . . . . 94 ASN HD22 . 7221 18 68 . 1 1 96 96 HIS N N 15 117.489 0.002 . 1 . . . . 96 HIS N . 7221 18 69 . 1 1 96 96 HIS H H 1 8.112 0.02 . 1 . . . . 96 HIS HN . 7221 18 70 . 1 1 97 97 ALA H H 1 7.383 0.02 . 1 . . . . 97 ALA HN . 7221 18 71 . 1 1 98 98 LYS N N 15 127.480 0.02 . 1 . . . . 98 LYS N . 7221 18 72 . 1 1 98 98 LYS H H 1 8.022 0.002 . 1 . . . . 98 LYS HN . 7221 18 73 . 1 1 46 46 VAL N N 15 127.139 0.002 . 1 . . . . 46 VAL N . 7221 18 74 . 1 1 63 63 LYS H H 1 7.577 0.02 . 1 . . . . 63 LYS HN . 7221 18 stop_ save_