data_17743 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17743 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignments for the N-terminal domain of insulin-like growth factor binding protein-2 (IGFBP-2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-28 _Entry.Accession_date 2011-06-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR backbone chemical shift assignments.' _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 Galea . A. . 17743 2 Mehdi Mobli . . . 17743 3 Kerrie McNeil . A. . 17743 4 Terrence Mulhern . D. . 17743 5 John Wallace . C. . 17743 6 Glenn King . F. . 17743 7 Briony Forbes . E. . 17743 8 Raymond Norton . S. . 17743 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Norton group; MIPS' . 17743 2 . 'King group; IMB' . 17743 3 . 'Wallace group; University of Adelaide' . 17743 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17743 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 234 17743 '15N chemical shifts' 80 17743 '1H chemical shifts' 80 17743 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 . . 2012-02-17 2011-06-28 udpate BMRB 'update entry citation' 17743 1 . . 2011-07-14 2011-06-28 original author 'original release' 17743 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17743 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21951978 _Citation.Full_citation . _Citation.Title 'Insulin-like growth factor binding protein-2: NMR analysis and structural characterization of the N-terminal domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochimie _Citation.Journal_name_full Biochimie _Citation.Journal_volume 94 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 608 _Citation.Page_last 616 _Citation.Year 2012 _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 Galea . A. . 17743 1 2 Mehdi Mobli . . . 17743 1 3 Kerrie McNeil . A. . 17743 1 4 Terrence Mulhern . D. . 17743 1 5 John Wallace . C. . 17743 1 6 Glenn King . F. . 17743 1 7 Briony Forbes . E. . 17743 1 8 Raymond Norton . S. . 17743 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'chemical shift' 17743 1 IGFBP-2 17743 1 'Insulin-like growth factor binding protein' 17743 1 N-domain 17743 1 NMR 17743 1 structure 17743 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17743 _Assembly.ID 1 _Assembly.Name 'IGFBP-2 N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10222.9 _Assembly.Enzyme_commission_number . _Assembly.Details 'N-terminal domain of IGFBP-2' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-BP-2, chain 1' 1 $IGFBP-2_N-domain A . yes native yes no 1 'IGF-I binding' 'The Pro/Ala-rich loop contains transient helical structure.' 17743 1 2 'N-BP-2, chain 2' 1 $IGFBP-2_N-domain A . no native yes no 1 'IGF-I binding' 'The Pro/Ala-rich loop is disordered.' 17743 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 single . 1 'N-BP-2, chain 1' 1 CYS 8 8 SG . 1 'N-BP-2, chain 1' 1 CYS 50 50 SG 1 'N-BP-2, chain 1' 6 CYS SG 1 'N-BP-2, chain 1' 48 CYS SG 17743 1 2 disulfide single . 1 'N-BP-2, chain 1' 1 CYS 11 11 SG . 1 'N-BP-2, chain 1' 1 CYS 52 52 SG 1 'N-BP-2, chain 1' 9 CYS SG 1 'N-BP-2, chain 1' 50 CYS SG 17743 1 3 disulfide single . 1 'N-BP-2, chain 1' 1 CYS 19 19 SG . 1 'N-BP-2, chain 1' 1 CYS 53 53 SG 1 'N-BP-2, chain 1' 17 CYS SG 1 'N-BP-2, chain 1' 51 CYS SG 17743 1 4 disulfide single . 1 'N-BP-2, chain 1' 1 CYS 41 41 SG . 1 'N-BP-2, chain 1' 1 CYS 56 56 SG 1 'N-BP-2, chain 1' 39 CYS SG 1 'N-BP-2, chain 1' 54 CYS SG 17743 1 5 disulfide single . 1 'N-BP-2, chain 1' 1 CYS 71 71 SG . 1 'N-BP-2, chain 1' 1 CYS 97 97 SG 1 'N-BP-2, chain 1' 69 CYS SG 1 'N-BP-2, chain 1' 95 CYS SG 17743 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Insulin-like growth factor inhibitor' 17743 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IGFBP-2_N-domain _Entity.Sf_category entity _Entity.Sf_framecode IGFBP-2_N-domain _Entity.Entry_ID 17743 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IGFBP-2_N-domain _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 ; GPEVLFRCPPCTPERLAACG PPPVAPPAAVAAVAGGARMP CAELVREPGCGCCSVCARLE GEACGVYTPRCGQGLRCYPH PGSELPLQALVMGEGTCEKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -2, G -1, P 1, E 2, V 3, L ... 96, E 97, K 98, R ; _Entity.Polymer_author_seq_details 'Residues -1 and -2 are part of the 3C protease cleavage site and remain after removal of the thioredoxin fusion tag.' _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain of IGFBP-2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10222.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAD92746 . "insulin-like growth factor binding protein 2 variant [Homo sapiens]" . . . . . 98.00 292 98.98 98.98 7.62e-57 . . . . 17743 1 2 no EMBL CAA34373 . "unnamed protein product [Homo sapiens]" . . . . . 98.00 328 100.00 100.00 2.99e-57 . . . . 17743 1 3 no GB AAA03246 . "insulin-like growth factor binding protein 2 [Homo sapiens]" . . . . . 98.00 328 100.00 100.00 2.63e-57 . . . . 17743 1 4 no GB AAA36048 . "insulin-like growth factor binding protein 2 [Homo sapiens]" . . . . . 98.00 328 98.98 98.98 3.21e-56 . . . . 17743 1 5 no GB AAB22308 . "insulin-like growth factor binding protein-2 [Homo sapiens]" . . . . . 98.00 328 100.00 100.00 2.63e-57 . . . . 17743 1 6 no GB AAH04312 . "Insulin-like growth factor binding protein 2, 36kDa [Homo sapiens]" . . . . . 98.00 328 100.00 100.00 2.63e-57 . . . . 17743 1 7 no GB AAH09902 . "Insulin-like growth factor binding protein 2, 36kDa [Homo sapiens]" . . . . . 98.00 328 100.00 100.00 2.63e-57 . . . . 17743 1 8 no REF NP_000588 . "insulin-like growth factor-binding protein 2 isoform a precursor [Homo sapiens]" . . . . . 98.00 328 100.00 100.00 2.63e-57 . . . . 17743 1 9 no REF XP_001087071 . "PREDICTED: insulin-like growth factor binding protein 2, 36kDa [Macaca mulatta]" . . . . . 98.00 326 100.00 100.00 1.77e-57 . . . . 17743 1 10 no REF XP_003254105 . "PREDICTED: insulin-like growth factor-binding protein 2 isoform X2 [Nomascus leucogenys]" . . . . . 98.00 330 100.00 100.00 2.21e-57 . . . . 17743 1 11 no REF XP_003780748 . "PREDICTED: LOW QUALITY PROTEIN: insulin-like growth factor-binding protein 2 [Pongo abelii]" . . . . . 98.00 326 98.98 100.00 3.84e-57 . . . . 17743 1 12 no REF XP_003907977 . "PREDICTED: insulin-like growth factor-binding protein 2 [Papio anubis]" . . . . . 98.00 326 100.00 100.00 1.87e-57 . . . . 17743 1 13 no SP P18065 . "RecName: Full=Insulin-like growth factor-binding protein 2; Short=IBP-2; Short=IGF-binding protein 2; Short=IGFBP-2; Flags: Pre" . . . . . 98.00 325 100.00 100.00 2.31e-57 . . . . 17743 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Insulin-like growth factor inhibitor' 17743 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 -2 GLY . 17743 1 2 -1 PRO . 17743 1 3 1 GLU . 17743 1 4 2 VAL . 17743 1 5 3 LEU . 17743 1 6 4 PHE . 17743 1 7 5 ARG . 17743 1 8 6 CYS . 17743 1 9 7 PRO . 17743 1 10 8 PRO . 17743 1 11 9 CYS . 17743 1 12 10 THR . 17743 1 13 11 PRO . 17743 1 14 12 GLU . 17743 1 15 13 ARG . 17743 1 16 14 LEU . 17743 1 17 15 ALA . 17743 1 18 16 ALA . 17743 1 19 17 CYS . 17743 1 20 18 GLY . 17743 1 21 19 PRO . 17743 1 22 20 PRO . 17743 1 23 21 PRO . 17743 1 24 22 VAL . 17743 1 25 23 ALA . 17743 1 26 24 PRO . 17743 1 27 25 PRO . 17743 1 28 26 ALA . 17743 1 29 27 ALA . 17743 1 30 28 VAL . 17743 1 31 29 ALA . 17743 1 32 30 ALA . 17743 1 33 31 VAL . 17743 1 34 32 ALA . 17743 1 35 33 GLY . 17743 1 36 34 GLY . 17743 1 37 35 ALA . 17743 1 38 36 ARG . 17743 1 39 37 MET . 17743 1 40 38 PRO . 17743 1 41 39 CYS . 17743 1 42 40 ALA . 17743 1 43 41 GLU . 17743 1 44 42 LEU . 17743 1 45 43 VAL . 17743 1 46 44 ARG . 17743 1 47 45 GLU . 17743 1 48 46 PRO . 17743 1 49 47 GLY . 17743 1 50 48 CYS . 17743 1 51 49 GLY . 17743 1 52 50 CYS . 17743 1 53 51 CYS . 17743 1 54 52 SER . 17743 1 55 53 VAL . 17743 1 56 54 CYS . 17743 1 57 55 ALA . 17743 1 58 56 ARG . 17743 1 59 57 LEU . 17743 1 60 58 GLU . 17743 1 61 59 GLY . 17743 1 62 60 GLU . 17743 1 63 61 ALA . 17743 1 64 62 CYS . 17743 1 65 63 GLY . 17743 1 66 64 VAL . 17743 1 67 65 TYR . 17743 1 68 66 THR . 17743 1 69 67 PRO . 17743 1 70 68 ARG . 17743 1 71 69 CYS . 17743 1 72 70 GLY . 17743 1 73 71 GLN . 17743 1 74 72 GLY . 17743 1 75 73 LEU . 17743 1 76 74 ARG . 17743 1 77 75 CYS . 17743 1 78 76 TYR . 17743 1 79 77 PRO . 17743 1 80 78 HIS . 17743 1 81 79 PRO . 17743 1 82 80 GLY . 17743 1 83 81 SER . 17743 1 84 82 GLU . 17743 1 85 83 LEU . 17743 1 86 84 PRO . 17743 1 87 85 LEU . 17743 1 88 86 GLN . 17743 1 89 87 ALA . 17743 1 90 88 LEU . 17743 1 91 89 VAL . 17743 1 92 90 MET . 17743 1 93 91 GLY . 17743 1 94 92 GLU . 17743 1 95 93 GLY . 17743 1 96 94 THR . 17743 1 97 95 CYS . 17743 1 98 96 GLU . 17743 1 99 97 LYS . 17743 1 100 98 ARG . 17743 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 17743 1 . PRO 2 2 17743 1 . GLU 3 3 17743 1 . VAL 4 4 17743 1 . LEU 5 5 17743 1 . PHE 6 6 17743 1 . ARG 7 7 17743 1 . CYS 8 8 17743 1 . PRO 9 9 17743 1 . PRO 10 10 17743 1 . CYS 11 11 17743 1 . THR 12 12 17743 1 . PRO 13 13 17743 1 . GLU 14 14 17743 1 . ARG 15 15 17743 1 . LEU 16 16 17743 1 . ALA 17 17 17743 1 . ALA 18 18 17743 1 . CYS 19 19 17743 1 . GLY 20 20 17743 1 . PRO 21 21 17743 1 . PRO 22 22 17743 1 . PRO 23 23 17743 1 . VAL 24 24 17743 1 . ALA 25 25 17743 1 . PRO 26 26 17743 1 . PRO 27 27 17743 1 . ALA 28 28 17743 1 . ALA 29 29 17743 1 . VAL 30 30 17743 1 . ALA 31 31 17743 1 . ALA 32 32 17743 1 . VAL 33 33 17743 1 . ALA 34 34 17743 1 . GLY 35 35 17743 1 . GLY 36 36 17743 1 . ALA 37 37 17743 1 . ARG 38 38 17743 1 . MET 39 39 17743 1 . PRO 40 40 17743 1 . CYS 41 41 17743 1 . ALA 42 42 17743 1 . GLU 43 43 17743 1 . LEU 44 44 17743 1 . VAL 45 45 17743 1 . ARG 46 46 17743 1 . GLU 47 47 17743 1 . PRO 48 48 17743 1 . GLY 49 49 17743 1 . CYS 50 50 17743 1 . GLY 51 51 17743 1 . CYS 52 52 17743 1 . CYS 53 53 17743 1 . SER 54 54 17743 1 . VAL 55 55 17743 1 . CYS 56 56 17743 1 . ALA 57 57 17743 1 . ARG 58 58 17743 1 . LEU 59 59 17743 1 . GLU 60 60 17743 1 . GLY 61 61 17743 1 . GLU 62 62 17743 1 . ALA 63 63 17743 1 . CYS 64 64 17743 1 . GLY 65 65 17743 1 . VAL 66 66 17743 1 . TYR 67 67 17743 1 . THR 68 68 17743 1 . PRO 69 69 17743 1 . ARG 70 70 17743 1 . CYS 71 71 17743 1 . GLY 72 72 17743 1 . GLN 73 73 17743 1 . GLY 74 74 17743 1 . LEU 75 75 17743 1 . ARG 76 76 17743 1 . CYS 77 77 17743 1 . TYR 78 78 17743 1 . PRO 79 79 17743 1 . HIS 80 80 17743 1 . PRO 81 81 17743 1 . GLY 82 82 17743 1 . SER 83 83 17743 1 . GLU 84 84 17743 1 . LEU 85 85 17743 1 . PRO 86 86 17743 1 . LEU 87 87 17743 1 . GLN 88 88 17743 1 . ALA 89 89 17743 1 . LEU 90 90 17743 1 . VAL 91 91 17743 1 . MET 92 92 17743 1 . GLY 93 93 17743 1 . GLU 94 94 17743 1 . GLY 95 95 17743 1 . THR 96 96 17743 1 . CYS 97 97 17743 1 . GLU 98 98 17743 1 . LYS 99 99 17743 1 . ARG 100 100 17743 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17743 _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 $IGFBP-2_N-domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17743 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 17743 _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 $IGFBP-2_N-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET32(a) . . . 'Added 3C protease cleavage site in linker between thioredoxin fusion protein and N-BP-2 gene.' . . 17743 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17743 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'IGFBP-2 N-domain' '[U-100% 15N]' . . 1 $IGFBP-2_N-domain . . 0.07 . . mM . . . . 17743 1 2 'IGFBP-2 N-domain' '[U-100% 13C; U-100% 15N]' . . 1 $IGFBP-2_N-domain . . 0.07 . . mM . . . . 17743 1 3 'sodium citrate' 'natural abundance' . . . . . . 20 . . mM . . . . 17743 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17743 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17743 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17743 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 0.001 M 17743 1 pH 5.0 0.1 pH 17743 1 pressure 1 . atm 17743 1 temperature 308 0.05 K 17743 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17743 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17743 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17743 1 processing 17743 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17743 _Software.ID 2 _Software.Name NMRView _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17743 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17743 2 'chemical shift calculation' 17743 2 'data analysis' 17743 2 'peak picking' 17743 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17743 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17743 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17743 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17743 _Software.ID 4 _Software.Name PINE _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17743 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17743 4 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17743 _Software.ID 5 _Software.Name NMRDraw _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17743 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17743 5 stop_ save_ save_RNMRTK _Software.Sf_category software _Software.Sf_framecode RNMRTK _Software.Entry_ID 17743 _Software.ID 6 _Software.Name RNMRTK _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(RNMRTK) Hoch and Stern' ; Gregory P. Mullen NMR Structural Biology Facility University of Connecticut Health Center ; http://rnmrtk.uchc.edu/rnmrtk/RNMRTK.html 17743 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17743 6 processing 17743 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17743 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryogenically cooled triple resonance TXI probe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17743 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with cryogenically cooled triple resonance TXI probe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17743 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Equipped with cryogenically cooled triple resonance TXI probe.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17743 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'Equipped with cryogenically cooled triple resonance TXI probe.' . . 17743 1 2 spectrometer_2 Bruker Avance . 800 'Equipped with cryogenically cooled triple resonance TXI probe.' . . 17743 1 3 spectrometer_3 Bruker Avance . 900 'Equipped with cryogenically cooled triple resonance TXI probe.' . . 17743 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17743 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17743 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17743 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17743 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17743 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17743 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17743 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17743 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17743 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17743 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17743 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17743 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane 'methylene protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17743 1 H 1 dioxane 'methylene protons' . . . . ppm 3.53 external direct 1.0 . . . . . . . . . 17743 1 N 15 dioxane 'methylene protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17743 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17743 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.20 _Assigned_chem_shift_list.Chem_shift_15N_err 0.20 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17743 1 4 '3D CBCA(CO)NH' . . . 17743 1 5 '3D HNCO' . . . 17743 1 6 '3D HNCA' . . . 17743 1 7 '3D HNCACB' . . . 17743 1 8 '3D HN(CO)CA' . . . 17743 1 9 '3D HN(CA)CO' . . . 17743 1 10 '3D 1H-15N NOESY' . . . 17743 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 176.670 0.20 . 1 . . . . -1 PRO C . 17743 1 2 . 1 1 2 2 PRO CA C 13 63.360 0.200 . 1 . . . . -1 PRO CA . 17743 1 3 . 1 1 2 2 PRO CB C 13 32.330 0.200 . 1 . . . . -1 PRO CB . 17743 1 4 . 1 1 3 3 GLU H H 1 8.790 0.02 . 1 . . . . 1 GLU H . 17743 1 5 . 1 1 3 3 GLU C C 13 176.471 0.20 . 1 . . . . 1 GLU C . 17743 1 6 . 1 1 3 3 GLU CA C 13 57.088 0.200 . 1 . . . . 1 GLU CA . 17743 1 7 . 1 1 3 3 GLU CB C 13 29.830 0.200 . 1 . . . . 1 GLU CB . 17743 1 8 . 1 1 3 3 GLU N N 15 121.474 0.20 . 1 . . . . 1 GLU N . 17743 1 9 . 1 1 4 4 VAL H H 1 8.139 0.02 . 1 . . . . 2 VAL H . 17743 1 10 . 1 1 4 4 VAL C C 13 175.950 0.20 . 1 . . . . 2 VAL C . 17743 1 11 . 1 1 4 4 VAL CA C 13 62.486 0.200 . 1 . . . . 2 VAL CA . 17743 1 12 . 1 1 4 4 VAL CB C 13 32.870 0.200 . 1 . . . . 2 VAL CB . 17743 1 13 . 1 1 4 4 VAL N N 15 121.307 0.20 . 1 . . . . 2 VAL N . 17743 1 14 . 1 1 5 5 LEU H H 1 8.254 0.02 . 1 . . . . 3 LEU H . 17743 1 15 . 1 1 5 5 LEU C C 13 177.060 0.20 . 1 . . . . 3 LEU C . 17743 1 16 . 1 1 5 5 LEU CA C 13 52.923 0.200 . 1 . . . . 3 LEU CA . 17743 1 17 . 1 1 5 5 LEU CB C 13 45.100 0.200 . 1 . . . . 3 LEU CB . 17743 1 18 . 1 1 5 5 LEU N N 15 126.296 0.20 . 1 . . . . 3 LEU N . 17743 1 19 . 1 1 6 6 PHE H H 1 9.197 0.02 . 1 . . . . 4 PHE H . 17743 1 20 . 1 1 6 6 PHE C C 13 173.490 0.20 . 1 . . . . 4 PHE C . 17743 1 21 . 1 1 6 6 PHE CA C 13 54.330 0.200 . 1 . . . . 4 PHE CA . 17743 1 22 . 1 1 6 6 PHE N N 15 117.574 0.20 . 1 . . . . 4 PHE N . 17743 1 23 . 1 1 7 7 ARG H H 1 8.782 0.02 . 1 . . . . 5 ARG H . 17743 1 24 . 1 1 7 7 ARG C C 13 176.650 0.20 . 1 . . . . 5 ARG C . 17743 1 25 . 1 1 7 7 ARG CA C 13 56.366 0.200 . 1 . . . . 5 ARG CA . 17743 1 26 . 1 1 7 7 ARG N N 15 122.600 0.20 . 1 . . . . 5 ARG N . 17743 1 27 . 1 1 8 8 CYS H H 1 8.351 0.02 . 1 . . . . 6 CYS H . 17743 1 28 . 1 1 8 8 CYS CA C 13 55.000 0.200 . 1 . . . . 6 CYS CA . 17743 1 29 . 1 1 8 8 CYS N N 15 123.416 0.20 . 1 . . . . 6 CYS N . 17743 1 30 . 1 1 10 10 PRO C C 13 176.433 0.20 . 1 . . . . 8 PRO C . 17743 1 31 . 1 1 10 10 PRO CA C 13 63.190 0.200 . 1 . . . . 8 PRO CA . 17743 1 32 . 1 1 10 10 PRO CB C 13 32.064 0.200 . 1 . . . . 8 PRO CB . 17743 1 33 . 1 1 11 11 CYS H H 1 8.493 0.02 . 1 . . . . 9 CYS H . 17743 1 34 . 1 1 11 11 CYS CA C 13 55.827 0.200 . 1 . . . . 9 CYS CA . 17743 1 35 . 1 1 11 11 CYS CB C 13 44.592 0.200 . 1 . . . . 9 CYS CB . 17743 1 36 . 1 1 11 11 CYS N N 15 118.559 0.20 . 1 . . . . 9 CYS N . 17743 1 37 . 1 1 13 13 PRO C C 13 179.414 0.200 . 1 . . . . 11 PRO C . 17743 1 38 . 1 1 13 13 PRO CA C 13 66.257 0.200 . 1 . . . . 11 PRO CA . 17743 1 39 . 1 1 13 13 PRO CB C 13 31.860 0.200 . 1 . . . . 11 PRO CB . 17743 1 40 . 1 1 14 14 GLU H H 1 9.028 0.02 . 1 . . . . 12 GLU H . 17743 1 41 . 1 1 14 14 GLU C C 13 179.224 0.200 . 1 . . . . 12 GLU C . 17743 1 42 . 1 1 14 14 GLU CA C 13 60.106 0.200 . 1 . . . . 12 GLU CA . 17743 1 43 . 1 1 14 14 GLU CB C 13 28.680 0.200 . 1 . . . . 12 GLU CB . 17743 1 44 . 1 1 14 14 GLU N N 15 117.232 0.20 . 1 . . . . 12 GLU N . 17743 1 45 . 1 1 15 15 ARG H H 1 7.673 0.02 . 1 . . . . 13 ARG H . 17743 1 46 . 1 1 15 15 ARG C C 13 179.360 0.200 . 1 . . . . 13 ARG C . 17743 1 47 . 1 1 15 15 ARG CA C 13 59.034 0.200 . 1 . . . . 13 ARG CA . 17743 1 48 . 1 1 15 15 ARG CB C 13 30.770 0.200 . 1 . . . . 13 ARG CB . 17743 1 49 . 1 1 15 15 ARG N N 15 120.665 0.20 . 1 . . . . 13 ARG N . 17743 1 50 . 1 1 16 16 LEU H H 1 8.196 0.02 . 1 . . . . 14 LEU H . 17743 1 51 . 1 1 16 16 LEU C C 13 180.291 0.200 . 1 . . . . 14 LEU C . 17743 1 52 . 1 1 16 16 LEU CA C 13 57.590 0.200 . 1 . . . . 14 LEU CA . 17743 1 53 . 1 1 16 16 LEU CB C 13 41.800 0.200 . 1 . . . . 14 LEU CB . 17743 1 54 . 1 1 16 16 LEU N N 15 119.907 0.20 . 1 . . . . 14 LEU N . 17743 1 55 . 1 1 17 17 ALA H H 1 8.059 0.02 . 1 . . . . 15 ALA H . 17743 1 56 . 1 1 17 17 ALA C C 13 178.832 0.20 . 1 . . . . 15 ALA C . 17743 1 57 . 1 1 17 17 ALA CA C 13 54.230 0.200 . 1 . . . . 15 ALA CA . 17743 1 58 . 1 1 17 17 ALA CB C 13 18.200 0.200 . 1 . . . . 15 ALA CB . 17743 1 59 . 1 1 17 17 ALA N N 15 119.660 0.20 . 1 . . . . 15 ALA N . 17743 1 60 . 1 1 18 18 ALA H H 1 7.352 0.02 . 1 . . . . 16 ALA H . 17743 1 61 . 1 1 18 18 ALA C C 13 178.309 0.20 . 1 . . . . 16 ALA C . 17743 1 62 . 1 1 18 18 ALA CA C 13 52.770 0.200 . 1 . . . . 16 ALA CA . 17743 1 63 . 1 1 18 18 ALA CB C 13 18.670 0.200 . 1 . . . . 16 ALA CB . 17743 1 64 . 1 1 18 18 ALA N N 15 118.959 0.20 . 1 . . . . 16 ALA N . 17743 1 65 . 1 1 19 19 CYS H H 1 7.539 0.02 . 1 . . . . 17 CYS H . 17743 1 66 . 1 1 19 19 CYS C C 13 175.778 0.20 . 1 . . . . 17 CYS C . 17743 1 67 . 1 1 19 19 CYS CA C 13 56.430 0.200 . 1 . . . . 17 CYS CA . 17743 1 68 . 1 1 19 19 CYS CB C 13 39.590 0.200 . 1 . . . . 17 CYS CB . 17743 1 69 . 1 1 19 19 CYS N N 15 116.639 0.20 . 1 . . . . 17 CYS N . 17743 1 70 . 1 1 20 20 GLY H H 1 8.150 0.02 . 1 . . . . 18 GLY H . 17743 1 71 . 1 1 20 20 GLY CA C 13 44.594 0.200 . 1 . . . . 18 GLY CA . 17743 1 72 . 1 1 20 20 GLY N N 15 108.844 0.20 . 1 . . . . 18 GLY N . 17743 1 73 . 1 1 23 23 PRO C C 13 176.363 0.20 . 1 . . . . 21 PRO C . 17743 1 74 . 1 1 23 23 PRO CA C 13 63.034 0.200 . 1 . . . . 21 PRO CA . 17743 1 75 . 1 1 23 23 PRO CB C 13 31.960 0.200 . 1 . . . . 21 PRO CB . 17743 1 76 . 1 1 24 24 VAL H H 1 7.992 0.02 . 1 . . . . 22 VAL H . 17743 1 77 . 1 1 24 24 VAL C C 13 175.526 0.20 . 1 . . . . 22 VAL C . 17743 1 78 . 1 1 24 24 VAL CA C 13 61.370 0.200 . 1 . . . . 22 VAL CA . 17743 1 79 . 1 1 24 24 VAL CB C 13 33.580 0.200 . 1 . . . . 22 VAL CB . 17743 1 80 . 1 1 24 24 VAL N N 15 117.895 0.20 . 1 . . . . 22 VAL N . 17743 1 81 . 1 1 25 25 ALA H H 1 8.365 0.02 . 1 . . . . 23 ALA H . 17743 1 82 . 1 1 25 25 ALA CA C 13 50.412 0.200 . 1 . . . . 23 ALA CA . 17743 1 83 . 1 1 25 25 ALA CB C 13 18.510 0.200 . 1 . . . . 23 ALA CB . 17743 1 84 . 1 1 25 25 ALA N N 15 128.250 0.20 . 1 . . . . 23 ALA N . 17743 1 85 . 1 1 27 27 PRO C C 13 177.051 0.20 . 1 . . . . 25 PRO C . 17743 1 86 . 1 1 27 27 PRO CA C 13 63.512 0.200 . 1 . . . . 25 PRO CA . 17743 1 87 . 1 1 27 27 PRO CB C 13 32.020 0.200 . 1 . . . . 25 PRO CB . 17743 1 88 . 1 1 28 28 ALA H H 1 8.334 0.02 . 1 . . . . 26 ALA H . 17743 1 89 . 1 1 28 28 ALA C C 13 177.919 0.20 . 1 . . . . 26 ALA C . 17743 1 90 . 1 1 28 28 ALA CA C 13 52.912 0.200 . 1 . . . . 26 ALA CA . 17743 1 91 . 1 1 28 28 ALA CB C 13 19.320 0.200 . 1 . . . . 26 ALA CB . 17743 1 92 . 1 1 28 28 ALA N N 15 122.942 0.20 . 1 . . . . 26 ALA N . 17743 1 93 . 1 1 29 29 ALA H H 1 8.217 0.02 . 1 . . . . 27 ALA H . 17743 1 94 . 1 1 29 29 ALA C C 13 178.095 0.20 . 1 . . . . 27 ALA C . 17743 1 95 . 1 1 29 29 ALA CA C 13 53.060 0.200 . 1 . . . . 27 ALA CA . 17743 1 96 . 1 1 29 29 ALA CB C 13 19.290 0.200 . 1 . . . . 27 ALA CB . 17743 1 97 . 1 1 29 29 ALA N N 15 121.812 0.20 . 1 . . . . 27 ALA N . 17743 1 98 . 1 1 30 30 VAL H H 1 7.844 0.02 . 1 . . . . 28 VAL H . 17743 1 99 . 1 1 30 30 VAL C C 13 176.153 0.20 . 1 . . . . 28 VAL C . 17743 1 100 . 1 1 30 30 VAL CA C 13 62.705 0.200 . 1 . . . . 28 VAL CA . 17743 1 101 . 1 1 30 30 VAL CB C 13 32.810 0.200 . 1 . . . . 28 VAL CB . 17743 1 102 . 1 1 30 30 VAL N N 15 117.398 0.20 . 1 . . . . 28 VAL N . 17743 1 103 . 1 1 31 31 ALA H H 1 8.204 0.02 . 1 . . . . 29 ALA H . 17743 1 104 . 1 1 31 31 ALA C C 13 177.638 0.20 . 1 . . . . 29 ALA C . 17743 1 105 . 1 1 31 31 ALA CA C 13 52.850 0.200 . 1 . . . . 29 ALA CA . 17743 1 106 . 1 1 31 31 ALA CB C 13 19.280 0.200 . 1 . . . . 29 ALA CB . 17743 1 107 . 1 1 31 31 ALA N N 15 125.764 0.20 . 1 . . . . 29 ALA N . 17743 1 108 . 1 1 32 32 ALA H H 1 8.131 0.02 . 1 . . . . 30 ALA H . 17743 1 109 . 1 1 32 32 ALA C C 13 177.990 0.20 . 1 . . . . 30 ALA C . 17743 1 110 . 1 1 32 32 ALA CA C 13 52.870 0.200 . 1 . . . . 30 ALA CA . 17743 1 111 . 1 1 32 32 ALA CB C 13 19.270 0.200 . 1 . . . . 30 ALA CB . 17743 1 112 . 1 1 32 32 ALA N N 15 122.311 0.20 . 1 . . . . 30 ALA N . 17743 1 113 . 1 1 33 33 VAL H H 1 7.924 0.02 . 1 . . . . 31 VAL H . 17743 1 114 . 1 1 33 33 VAL C C 13 176.245 0.20 . 1 . . . . 31 VAL C . 17743 1 115 . 1 1 33 33 VAL CA C 13 62.270 0.200 . 1 . . . . 31 VAL CA . 17743 1 116 . 1 1 33 33 VAL CB C 13 32.990 0.200 . 1 . . . . 31 VAL CB . 17743 1 117 . 1 1 33 33 VAL N N 15 117.942 0.20 . 1 . . . . 31 VAL N . 17743 1 118 . 1 1 34 34 ALA H H 1 8.371 0.02 . 1 . . . . 32 ALA H . 17743 1 119 . 1 1 34 34 ALA C C 13 178.340 0.20 . 1 . . . . 32 ALA C . 17743 1 120 . 1 1 34 34 ALA CA C 13 52.900 0.200 . 1 . . . . 32 ALA CA . 17743 1 121 . 1 1 34 34 ALA CB C 13 19.140 0.200 . 1 . . . . 32 ALA CB . 17743 1 122 . 1 1 34 34 ALA N N 15 127.045 0.20 . 1 . . . . 32 ALA N . 17743 1 123 . 1 1 35 35 GLY H H 1 8.411 0.02 . 1 . . . . 33 GLY H . 17743 1 124 . 1 1 35 35 GLY C C 13 174.929 0.20 . 1 . . . . 33 GLY C . 17743 1 125 . 1 1 35 35 GLY CA C 13 45.650 0.200 . 1 . . . . 33 GLY CA . 17743 1 126 . 1 1 35 35 GLY N N 15 108.464 0.20 . 1 . . . . 33 GLY N . 17743 1 127 . 1 1 36 36 GLY H H 1 8.271 0.02 . 1 . . . . 34 GLY H . 17743 1 128 . 1 1 36 36 GLY C C 13 173.860 0.20 . 1 . . . . 34 GLY C . 17743 1 129 . 1 1 36 36 GLY CA C 13 45.310 0.200 . 1 . . . . 34 GLY CA . 17743 1 130 . 1 1 36 36 GLY N N 15 108.641 0.20 . 1 . . . . 34 GLY N . 17743 1 131 . 1 1 37 37 ALA H H 1 8.161 0.02 . 1 . . . . 35 ALA H . 17743 1 132 . 1 1 37 37 ALA C C 13 177.524 0.20 . 1 . . . . 35 ALA C . 17743 1 133 . 1 1 37 37 ALA CA C 13 52.488 0.200 . 1 . . . . 35 ALA CA . 17743 1 134 . 1 1 37 37 ALA CB C 13 19.560 0.200 . 1 . . . . 35 ALA CB . 17743 1 135 . 1 1 37 37 ALA N N 15 123.492 0.20 . 1 . . . . 35 ALA N . 17743 1 136 . 1 1 38 38 ARG H H 1 8.332 0.02 . 1 . . . . 36 ARG H . 17743 1 137 . 1 1 38 38 ARG C C 13 175.993 0.20 . 1 . . . . 36 ARG C . 17743 1 138 . 1 1 38 38 ARG CA C 13 55.773 0.200 . 1 . . . . 36 ARG CA . 17743 1 139 . 1 1 38 38 ARG CB C 13 30.960 0.200 . 1 . . . . 36 ARG CB . 17743 1 140 . 1 1 38 38 ARG N N 15 120.147 0.20 . 1 . . . . 36 ARG N . 17743 1 141 . 1 1 39 39 MET H H 1 8.446 0.02 . 1 . . . . 37 MET H . 17743 1 142 . 1 1 39 39 MET C C 13 174.217 0.200 . 1 . . . . 37 MET C . 17743 1 143 . 1 1 39 39 MET CA C 13 53.190 0.200 . 1 . . . . 37 MET CA . 17743 1 144 . 1 1 39 39 MET N N 15 122.955 0.20 . 1 . . . . 37 MET N . 17743 1 145 . 1 1 40 40 PRO C C 13 177.560 0.20 . 1 . . . . 38 PRO C . 17743 1 146 . 1 1 40 40 PRO CA C 13 62.840 0.200 . 1 . . . . 38 PRO CA . 17743 1 147 . 1 1 40 40 PRO CB C 13 32.170 0.200 . 1 . . . . 38 PRO CB . 17743 1 148 . 1 1 41 41 CYS H H 1 9.029 0.02 . 1 . . . . 39 CYS H . 17743 1 149 . 1 1 41 41 CYS C C 13 174.099 0.20 . 1 . . . . 39 CYS C . 17743 1 150 . 1 1 41 41 CYS CA C 13 55.890 0.200 . 1 . . . . 39 CYS CA . 17743 1 151 . 1 1 41 41 CYS CB C 13 40.080 0.200 . 1 . . . . 39 CYS CB . 17743 1 152 . 1 1 41 41 CYS N N 15 122.150 0.20 . 1 . . . . 39 CYS N . 17743 1 153 . 1 1 42 42 ALA H H 1 8.488 0.02 . 1 . . . . 40 ALA H . 17743 1 154 . 1 1 42 42 ALA C C 13 177.604 0.20 . 1 . . . . 40 ALA C . 17743 1 155 . 1 1 42 42 ALA CA C 13 54.060 0.200 . 1 . . . . 40 ALA CA . 17743 1 156 . 1 1 42 42 ALA CB C 13 19.510 0.200 . 1 . . . . 40 ALA CB . 17743 1 157 . 1 1 42 42 ALA N N 15 124.660 0.20 . 1 . . . . 40 ALA N . 17743 1 158 . 1 1 43 43 GLU H H 1 7.859 0.02 . 1 . . . . 41 GLU H . 17743 1 159 . 1 1 43 43 GLU C C 13 173.840 0.20 . 1 . . . . 41 GLU C . 17743 1 160 . 1 1 43 43 GLU CA C 13 55.550 0.200 . 1 . . . . 41 GLU CA . 17743 1 161 . 1 1 43 43 GLU CB C 13 32.190 0.200 . 1 . . . . 41 GLU CB . 17743 1 162 . 1 1 43 43 GLU N N 15 117.743 0.20 . 1 . . . . 41 GLU N . 17743 1 163 . 1 1 44 44 LEU H H 1 8.621 0.02 . 1 . . . . 42 LEU H . 17743 1 164 . 1 1 44 44 LEU C C 13 177.120 0.200 . 1 . . . . 42 LEU C . 17743 1 165 . 1 1 44 44 LEU CA C 13 53.930 0.200 . 1 . . . . 42 LEU CA . 17743 1 166 . 1 1 44 44 LEU CB C 13 43.880 0.200 . 1 . . . . 42 LEU CB . 17743 1 167 . 1 1 44 44 LEU N N 15 127.679 0.20 . 1 . . . . 42 LEU N . 17743 1 168 . 1 1 45 45 VAL H H 1 9.432 0.02 . 1 . . . . 43 VAL H . 17743 1 169 . 1 1 45 45 VAL CA C 13 58.895 0.200 . 1 . . . . 43 VAL CA . 17743 1 170 . 1 1 45 45 VAL CB C 13 35.860 0.200 . 1 . . . . 43 VAL CB . 17743 1 171 . 1 1 45 45 VAL N N 15 116.900 0.20 . 1 . . . . 43 VAL N . 17743 1 172 . 1 1 46 46 ARG H H 1 8.266 0.02 . 1 . . . . 44 ARG H . 17743 1 173 . 1 1 46 46 ARG CA C 13 56.542 0.200 . 1 . . . . 44 ARG CA . 17743 1 174 . 1 1 46 46 ARG CB C 13 33.050 0.200 . 1 . . . . 44 ARG CB . 17743 1 175 . 1 1 46 46 ARG N N 15 121.565 0.20 . 1 . . . . 44 ARG N . 17743 1 176 . 1 1 47 47 GLU H H 1 8.048 0.02 . 1 . . . . 45 GLU H . 17743 1 177 . 1 1 47 47 GLU CA C 13 57.475 0.200 . 1 . . . . 45 GLU CA . 17743 1 178 . 1 1 47 47 GLU CB C 13 31.820 0.200 . 1 . . . . 45 GLU CB . 17743 1 179 . 1 1 47 47 GLU N N 15 128.456 0.20 . 1 . . . . 45 GLU N . 17743 1 180 . 1 1 48 48 PRO C C 13 177.409 0.200 . 1 . . . . 46 PRO C . 17743 1 181 . 1 1 48 48 PRO CA C 13 62.880 0.200 . 1 . . . . 46 PRO CA . 17743 1 182 . 1 1 48 48 PRO CB C 13 32.560 0.200 . 1 . . . . 46 PRO CB . 17743 1 183 . 1 1 49 49 GLY H H 1 8.661 0.02 . 1 . . . . 47 GLY H . 17743 1 184 . 1 1 49 49 GLY CA C 13 46.250 0.200 . 1 . . . . 47 GLY CA . 17743 1 185 . 1 1 49 49 GLY N N 15 109.062 0.20 . 1 . . . . 47 GLY N . 17743 1 186 . 1 1 50 50 CYS H H 1 8.895 0.02 . 1 . . . . 48 CYS H . 17743 1 187 . 1 1 50 50 CYS C C 13 176.244 0.20 . 1 . . . . 48 CYS C . 17743 1 188 . 1 1 50 50 CYS N N 15 118.073 0.20 . 1 . . . . 48 CYS N . 17743 1 189 . 1 1 51 51 GLY H H 1 7.926 0.02 . 1 . . . . 49 GLY H . 17743 1 190 . 1 1 51 51 GLY CA C 13 46.211 0.200 . 1 . . . . 49 GLY CA . 17743 1 191 . 1 1 51 51 GLY N N 15 108.235 0.20 . 1 . . . . 49 GLY N . 17743 1 192 . 1 1 52 52 CYS H H 1 8.477 0.02 . 1 . . . . 50 CYS H . 17743 1 193 . 1 1 52 52 CYS C C 13 175.370 0.200 . 1 . . . . 50 CYS C . 17743 1 194 . 1 1 52 52 CYS CA C 13 55.730 0.200 . 1 . . . . 50 CYS CA . 17743 1 195 . 1 1 52 52 CYS N N 15 119.148 0.20 . 1 . . . . 50 CYS N . 17743 1 196 . 1 1 53 53 CYS H H 1 8.719 0.02 . 1 . . . . 51 CYS H . 17743 1 197 . 1 1 53 53 CYS C C 13 173.350 0.20 . 1 . . . . 51 CYS C . 17743 1 198 . 1 1 53 53 CYS CA C 13 52.749 0.200 . 1 . . . . 51 CYS CA . 17743 1 199 . 1 1 53 53 CYS CB C 13 37.040 0.200 . 1 . . . . 51 CYS CB . 17743 1 200 . 1 1 53 53 CYS N N 15 122.200 0.20 . 1 . . . . 51 CYS N . 17743 1 201 . 1 1 54 54 SER H H 1 8.726 0.02 . 1 . . . . 52 SER H . 17743 1 202 . 1 1 54 54 SER C C 13 173.413 0.20 . 1 . . . . 52 SER C . 17743 1 203 . 1 1 54 54 SER CA C 13 58.743 0.200 . 1 . . . . 52 SER CA . 17743 1 204 . 1 1 54 54 SER CB C 13 65.240 0.200 . 1 . . . . 52 SER CB . 17743 1 205 . 1 1 54 54 SER N N 15 117.090 0.20 . 1 . . . . 52 SER N . 17743 1 206 . 1 1 55 55 VAL H H 1 9.349 0.02 . 1 . . . . 53 VAL H . 17743 1 207 . 1 1 55 55 VAL C C 13 176.000 0.20 . 1 . . . . 53 VAL C . 17743 1 208 . 1 1 55 55 VAL CA C 13 58.747 0.200 . 1 . . . . 53 VAL CA . 17743 1 209 . 1 1 55 55 VAL CB C 13 35.770 0.200 . 1 . . . . 53 VAL CB . 17743 1 210 . 1 1 55 55 VAL N N 15 116.957 0.20 . 1 . . . . 53 VAL N . 17743 1 211 . 1 1 56 56 CYS H H 1 8.452 0.02 . 1 . . . . 54 CYS H . 17743 1 212 . 1 1 56 56 CYS CA C 13 56.400 0.200 . 1 . . . . 54 CYS CA . 17743 1 213 . 1 1 56 56 CYS CB C 13 40.550 0.200 . 1 . . . . 54 CYS CB . 17743 1 214 . 1 1 56 56 CYS N N 15 122.670 0.20 . 1 . . . . 54 CYS N . 17743 1 215 . 1 1 57 57 ALA H H 1 8.491 0.02 . 1 . . . . 55 ALA H . 17743 1 216 . 1 1 57 57 ALA C C 13 178.404 0.20 . 1 . . . . 55 ALA C . 17743 1 217 . 1 1 57 57 ALA CA C 13 52.280 0.200 . 1 . . . . 55 ALA CA . 17743 1 218 . 1 1 57 57 ALA CB C 13 18.600 0.200 . 1 . . . . 55 ALA CB . 17743 1 219 . 1 1 57 57 ALA N N 15 125.379 0.20 . 1 . . . . 55 ALA N . 17743 1 220 . 1 1 58 58 ARG H H 1 8.296 0.02 . 1 . . . . 56 ARG H . 17743 1 221 . 1 1 58 58 ARG C C 13 175.087 0.20 . 1 . . . . 56 ARG C . 17743 1 222 . 1 1 58 58 ARG CA C 13 54.783 0.200 . 1 . . . . 56 ARG CA . 17743 1 223 . 1 1 58 58 ARG CB C 13 31.330 0.200 . 1 . . . . 56 ARG CB . 17743 1 224 . 1 1 58 58 ARG N N 15 121.416 0.20 . 1 . . . . 56 ARG N . 17743 1 225 . 1 1 59 59 LEU H H 1 9.045 0.02 . 1 . . . . 57 LEU H . 17743 1 226 . 1 1 59 59 LEU C C 13 176.716 0.20 . 1 . . . . 57 LEU C . 17743 1 227 . 1 1 59 59 LEU CA C 13 52.900 0.200 . 1 . . . . 57 LEU CA . 17743 1 228 . 1 1 59 59 LEU CB C 13 43.120 0.200 . 1 . . . . 57 LEU CB . 17743 1 229 . 1 1 59 59 LEU N N 15 123.324 0.20 . 1 . . . . 57 LEU N . 17743 1 230 . 1 1 60 60 GLU H H 1 8.238 0.02 . 1 . . . . 58 GLU H . 17743 1 231 . 1 1 60 60 GLU C C 13 177.800 0.20 . 1 . . . . 58 GLU C . 17743 1 232 . 1 1 60 60 GLU CA C 13 58.630 0.200 . 1 . . . . 58 GLU CA . 17743 1 233 . 1 1 60 60 GLU CB C 13 29.320 0.200 . 1 . . . . 58 GLU CB . 17743 1 234 . 1 1 60 60 GLU N N 15 119.901 0.20 . 1 . . . . 58 GLU N . 17743 1 235 . 1 1 61 61 GLY H H 1 9.683 0.02 . 1 . . . . 59 GLY H . 17743 1 236 . 1 1 61 61 GLY C C 13 174.568 0.20 . 1 . . . . 59 GLY C . 17743 1 237 . 1 1 61 61 GLY CA C 13 45.391 0.200 . 1 . . . . 59 GLY CA . 17743 1 238 . 1 1 61 61 GLY N N 15 114.640 0.20 . 1 . . . . 59 GLY N . 17743 1 239 . 1 1 62 62 GLU H H 1 8.392 0.02 . 1 . . . . 60 GLU H . 17743 1 240 . 1 1 62 62 GLU C C 13 175.077 0.20 . 1 . . . . 60 GLU C . 17743 1 241 . 1 1 62 62 GLU CA C 13 56.606 0.200 . 1 . . . . 60 GLU CA . 17743 1 242 . 1 1 62 62 GLU CB C 13 31.710 0.200 . 1 . . . . 60 GLU CB . 17743 1 243 . 1 1 62 62 GLU N N 15 120.131 0.20 . 1 . . . . 60 GLU N . 17743 1 244 . 1 1 63 63 ALA H H 1 8.372 0.02 . 1 . . . . 61 ALA H . 17743 1 245 . 1 1 63 63 ALA C C 13 176.710 0.20 . 1 . . . . 61 ALA C . 17743 1 246 . 1 1 63 63 ALA CA C 13 52.030 0.200 . 1 . . . . 61 ALA CA . 17743 1 247 . 1 1 63 63 ALA CB C 13 19.910 0.200 . 1 . . . . 61 ALA CB . 17743 1 248 . 1 1 63 63 ALA N N 15 122.065 0.20 . 1 . . . . 61 ALA N . 17743 1 249 . 1 1 64 64 CYS H H 1 8.037 0.02 . 1 . . . . 62 CYS H . 17743 1 250 . 1 1 64 64 CYS CA C 13 53.430 0.200 . 1 . . . . 62 CYS CA . 17743 1 251 . 1 1 64 64 CYS N N 15 114.198 0.20 . 1 . . . . 62 CYS N . 17743 1 252 . 1 1 65 65 GLY H H 1 8.293 0.02 . 1 . . . . 63 GLY H . 17743 1 253 . 1 1 65 65 GLY C C 13 174.440 0.20 . 1 . . . . 63 GLY C . 17743 1 254 . 1 1 65 65 GLY CA C 13 45.534 0.200 . 1 . . . . 63 GLY CA . 17743 1 255 . 1 1 65 65 GLY N N 15 108.010 0.20 . 1 . . . . 63 GLY N . 17743 1 256 . 1 1 66 66 VAL H H 1 8.187 0.02 . 1 . . . . 64 VAL H . 17743 1 257 . 1 1 66 66 VAL C C 13 174.260 0.20 . 1 . . . . 64 VAL C . 17743 1 258 . 1 1 66 66 VAL CA C 13 58.885 0.200 . 1 . . . . 64 VAL CA . 17743 1 259 . 1 1 66 66 VAL N N 15 115.135 0.20 . 1 . . . . 64 VAL N . 17743 1 260 . 1 1 67 67 TYR H H 1 8.596 0.02 . 1 . . . . 65 TYR H . 17743 1 261 . 1 1 67 67 TYR C C 13 174.152 0.20 . 1 . . . . 65 TYR C . 17743 1 262 . 1 1 67 67 TYR CA C 13 56.112 0.200 . 1 . . . . 65 TYR CA . 17743 1 263 . 1 1 67 67 TYR CB C 13 40.660 0.200 . 1 . . . . 65 TYR CB . 17743 1 264 . 1 1 67 67 TYR N N 15 119.470 0.20 . 1 . . . . 65 TYR N . 17743 1 265 . 1 1 68 68 THR H H 1 7.281 0.02 . 1 . . . . 66 THR H . 17743 1 266 . 1 1 68 68 THR C C 13 173.191 0.200 . 1 . . . . 66 THR C . 17743 1 267 . 1 1 68 68 THR CA C 13 59.677 0.200 . 1 . . . . 66 THR CA . 17743 1 268 . 1 1 68 68 THR CB C 13 68.230 0.200 . 1 . . . . 66 THR CB . 17743 1 269 . 1 1 68 68 THR N N 15 114.466 0.20 . 1 . . . . 66 THR N . 17743 1 270 . 1 1 69 69 PRO CA C 13 62.953 0.200 . 1 . . . . 67 PRO CA . 17743 1 271 . 1 1 70 70 ARG H H 1 8.211 0.02 . 1 . . . . 68 ARG H . 17743 1 272 . 1 1 70 70 ARG C C 13 176.366 0.200 . 1 . . . . 68 ARG C . 17743 1 273 . 1 1 70 70 ARG CA C 13 55.690 0.200 . 1 . . . . 68 ARG CA . 17743 1 274 . 1 1 70 70 ARG CB C 13 31.000 0.200 . 1 . . . . 68 ARG CB . 17743 1 275 . 1 1 70 70 ARG N N 15 120.735 0.20 . 1 . . . . 68 ARG N . 17743 1 276 . 1 1 71 71 CYS H H 1 8.461 0.02 . 1 . . . . 69 CYS H . 17743 1 277 . 1 1 71 71 CYS C C 13 176.525 0.20 . 1 . . . . 69 CYS C . 17743 1 278 . 1 1 71 71 CYS CA C 13 55.641 0.200 . 1 . . . . 69 CYS CA . 17743 1 279 . 1 1 71 71 CYS N N 15 116.587 0.20 . 1 . . . . 69 CYS N . 17743 1 280 . 1 1 72 72 GLY H H 1 7.983 0.02 . 1 . . . . 70 GLY H . 17743 1 281 . 1 1 72 72 GLY C C 13 174.050 0.20 . 1 . . . . 70 GLY C . 17743 1 282 . 1 1 72 72 GLY CA C 13 46.210 0.200 . 1 . . . . 70 GLY CA . 17743 1 283 . 1 1 72 72 GLY N N 15 108.710 0.20 . 1 . . . . 70 GLY N . 17743 1 284 . 1 1 73 73 GLN H H 1 8.621 0.02 . 1 . . . . 71 GLN H . 17743 1 285 . 1 1 73 73 GLN CA C 13 56.150 0.200 . 1 . . . . 71 GLN CA . 17743 1 286 . 1 1 73 73 GLN N N 15 116.551 0.20 . 1 . . . . 71 GLN N . 17743 1 287 . 1 1 74 74 GLY H H 1 8.410 0.02 . 1 . . . . 72 GLY H . 17743 1 288 . 1 1 74 74 GLY C C 13 173.609 0.20 . 1 . . . . 72 GLY C . 17743 1 289 . 1 1 74 74 GLY CA C 13 45.290 0.200 . 1 . . . . 72 GLY CA . 17743 1 290 . 1 1 74 74 GLY N N 15 109.670 0.20 . 1 . . . . 72 GLY N . 17743 1 291 . 1 1 75 75 LEU H H 1 8.009 0.02 . 1 . . . . 73 LEU H . 17743 1 292 . 1 1 75 75 LEU C C 13 176.196 0.200 . 1 . . . . 73 LEU C . 17743 1 293 . 1 1 75 75 LEU CA C 13 53.050 0.200 . 1 . . . . 73 LEU CA . 17743 1 294 . 1 1 75 75 LEU CB C 13 45.070 0.200 . 1 . . . . 73 LEU CB . 17743 1 295 . 1 1 75 75 LEU N N 15 119.751 0.20 . 1 . . . . 73 LEU N . 17743 1 296 . 1 1 77 77 CYS C C 13 174.710 0.200 . 1 . . . . 75 CYS C . 17743 1 297 . 1 1 77 77 CYS CA C 13 56.100 0.200 . 1 . . . . 75 CYS CA . 17743 1 298 . 1 1 77 77 CYS CB C 13 42.465 0.200 . 1 . . . . 75 CYS CB . 17743 1 299 . 1 1 78 78 TYR H H 1 8.817 0.02 . 1 . . . . 76 TYR H . 17743 1 300 . 1 1 78 78 TYR C C 13 174.394 0.200 . 1 . . . . 76 TYR C . 17743 1 301 . 1 1 78 78 TYR CA C 13 53.076 0.200 . 1 . . . . 76 TYR CA . 17743 1 302 . 1 1 78 78 TYR N N 15 119.507 0.20 . 1 . . . . 76 TYR N . 17743 1 303 . 1 1 79 79 PRO C C 13 176.648 0.20 . 1 . . . . 77 PRO C . 17743 1 304 . 1 1 79 79 PRO CA C 13 63.263 0.200 . 1 . . . . 77 PRO CA . 17743 1 305 . 1 1 79 79 PRO CB C 13 32.282 0.200 . 1 . . . . 77 PRO CB . 17743 1 306 . 1 1 80 80 HIS H H 1 8.717 0.02 . 1 . . . . 78 HIS H . 17743 1 307 . 1 1 80 80 HIS C C 13 176.172 0.200 . 1 . . . . 78 HIS C . 17743 1 308 . 1 1 80 80 HIS CA C 13 56.880 0.200 . 1 . . . . 78 HIS CA . 17743 1 309 . 1 1 80 80 HIS CB C 13 30.016 0.200 . 1 . . . . 78 HIS CB . 17743 1 310 . 1 1 80 80 HIS N N 15 121.463 0.20 . 1 . . . . 78 HIS N . 17743 1 311 . 1 1 81 81 PRO C C 13 177.555 0.20 . 1 . . . . 79 PRO C . 17743 1 312 . 1 1 81 81 PRO CA C 13 63.860 0.200 . 1 . . . . 79 PRO CA . 17743 1 313 . 1 1 81 81 PRO CB C 13 32.100 0.200 . 1 . . . . 79 PRO CB . 17743 1 314 . 1 1 82 82 GLY H H 1 8.761 0.02 . 1 . . . . 80 GLY H . 17743 1 315 . 1 1 82 82 GLY C C 13 174.577 0.20 . 1 . . . . 80 GLY C . 17743 1 316 . 1 1 82 82 GLY CA C 13 45.630 0.200 . 1 . . . . 80 GLY CA . 17743 1 317 . 1 1 82 82 GLY N N 15 110.943 0.20 . 1 . . . . 80 GLY N . 17743 1 318 . 1 1 83 83 SER H H 1 8.121 0.02 . 1 . . . . 81 SER H . 17743 1 319 . 1 1 83 83 SER C C 13 174.849 0.20 . 1 . . . . 81 SER C . 17743 1 320 . 1 1 83 83 SER CA C 13 59.080 0.200 . 1 . . . . 81 SER CA . 17743 1 321 . 1 1 83 83 SER CB C 13 63.930 0.200 . 1 . . . . 81 SER CB . 17743 1 322 . 1 1 83 83 SER N N 15 115.710 0.20 . 1 . . . . 81 SER N . 17743 1 323 . 1 1 84 84 GLU H H 1 8.695 0.02 . 1 . . . . 82 GLU H . 17743 1 324 . 1 1 84 84 GLU C C 13 176.241 0.20 . 1 . . . . 82 GLU C . 17743 1 325 . 1 1 84 84 GLU CA C 13 56.994 0.200 . 1 . . . . 82 GLU CA . 17743 1 326 . 1 1 84 84 GLU CB C 13 29.920 0.200 . 1 . . . . 82 GLU CB . 17743 1 327 . 1 1 84 84 GLU N N 15 123.436 0.20 . 1 . . . . 82 GLU N . 17743 1 328 . 1 1 85 85 LEU H H 1 8.232 0.02 . 1 . . . . 83 LEU H . 17743 1 329 . 1 1 85 85 LEU CA C 13 52.938 0.200 . 1 . . . . 83 LEU CA . 17743 1 330 . 1 1 85 85 LEU CB C 13 42.170 0.200 . 1 . . . . 83 LEU CB . 17743 1 331 . 1 1 85 85 LEU N N 15 122.065 0.20 . 1 . . . . 83 LEU N . 17743 1 332 . 1 1 86 86 PRO C C 13 175.066 0.200 . 1 . . . . 84 PRO C . 17743 1 333 . 1 1 86 86 PRO CA C 13 62.431 0.200 . 1 . . . . 84 PRO CA . 17743 1 334 . 1 1 86 86 PRO CB C 13 32.864 0.200 . 1 . . . . 84 PRO CB . 17743 1 335 . 1 1 87 87 LEU H H 1 7.955 0.02 . 1 . . . . 85 LEU H . 17743 1 336 . 1 1 87 87 LEU C C 13 172.169 0.20 . 1 . . . . 85 LEU C . 17743 1 337 . 1 1 87 87 LEU CA C 13 56.669 0.200 . 1 . . . . 85 LEU CA . 17743 1 338 . 1 1 87 87 LEU CB C 13 43.650 0.200 . 1 . . . . 85 LEU CB . 17743 1 339 . 1 1 87 87 LEU N N 15 131.930 0.20 . 1 . . . . 85 LEU N . 17743 1 340 . 1 1 88 88 GLN C C 13 175.035 0.20 . 1 . . . . 86 GLN C . 17743 1 341 . 1 1 88 88 GLN CA C 13 56.085 0.200 . 1 . . . . 86 GLN CA . 17743 1 342 . 1 1 88 88 GLN CB C 13 33.323 0.200 . 1 . . . . 86 GLN CB . 17743 1 343 . 1 1 89 89 ALA H H 1 8.052 0.02 . 1 . . . . 87 ALA H . 17743 1 344 . 1 1 89 89 ALA CA C 13 52.630 0.200 . 1 . . . . 87 ALA CA . 17743 1 345 . 1 1 89 89 ALA CB C 13 19.600 0.200 . 1 . . . . 87 ALA CB . 17743 1 346 . 1 1 89 89 ALA N N 15 120.570 0.20 . 1 . . . . 87 ALA N . 17743 1 347 . 1 1 90 90 LEU H H 1 8.327 0.02 . 1 . . . . 88 LEU H . 17743 1 348 . 1 1 90 90 LEU CA C 13 56.635 0.200 . 1 . . . . 88 LEU CA . 17743 1 349 . 1 1 90 90 LEU N N 15 120.585 0.20 . 1 . . . . 88 LEU N . 17743 1 350 . 1 1 91 91 VAL H H 1 8.193 0.02 . 1 . . . . 89 VAL H . 17743 1 351 . 1 1 91 91 VAL C C 13 175.065 0.20 . 1 . . . . 89 VAL C . 17743 1 352 . 1 1 91 91 VAL CA C 13 62.480 0.200 . 1 . . . . 89 VAL CA . 17743 1 353 . 1 1 91 91 VAL CB C 13 32.870 0.200 . 1 . . . . 89 VAL CB . 17743 1 354 . 1 1 91 91 VAL N N 15 122.146 0.20 . 1 . . . . 89 VAL N . 17743 1 355 . 1 1 92 92 MET H H 1 8.170 0.02 . 1 . . . . 90 MET H . 17743 1 356 . 1 1 92 92 MET C C 13 176.936 0.20 . 1 . . . . 90 MET C . 17743 1 357 . 1 1 92 92 MET CA C 13 55.298 0.200 . 1 . . . . 90 MET CA . 17743 1 358 . 1 1 92 92 MET N N 15 125.320 0.20 . 1 . . . . 90 MET N . 17743 1 359 . 1 1 93 93 GLY H H 1 9.195 0.02 . 1 . . . . 91 GLY H . 17743 1 360 . 1 1 93 93 GLY C C 13 171.487 0.20 . 1 . . . . 91 GLY C . 17743 1 361 . 1 1 93 93 GLY CA C 13 44.490 0.200 . 1 . . . . 91 GLY CA . 17743 1 362 . 1 1 93 93 GLY N N 15 108.486 0.20 . 1 . . . . 91 GLY N . 17743 1 363 . 1 1 94 94 GLU H H 1 9.768 0.02 . 1 . . . . 92 GLU H . 17743 1 364 . 1 1 94 94 GLU CA C 13 57.731 0.200 . 1 . . . . 92 GLU CA . 17743 1 365 . 1 1 94 94 GLU CB C 13 28.780 0.200 . 1 . . . . 92 GLU CB . 17743 1 366 . 1 1 94 94 GLU N N 15 119.690 0.20 . 1 . . . . 92 GLU N . 17743 1 367 . 1 1 95 95 GLY H H 1 8.953 0.02 . 1 . . . . 93 GLY H . 17743 1 368 . 1 1 95 95 GLY C C 13 174.109 0.20 . 1 . . . . 93 GLY C . 17743 1 369 . 1 1 95 95 GLY CA C 13 45.310 0.200 . 1 . . . . 93 GLY CA . 17743 1 370 . 1 1 95 95 GLY N N 15 112.1531 0.20 . 1 . . . . 93 GLY N . 17743 1 371 . 1 1 96 96 THR H H 1 8.617 0.02 . 1 . . . . 94 THR H . 17743 1 372 . 1 1 96 96 THR C C 13 175.457 0.20 . 1 . . . . 94 THR C . 17743 1 373 . 1 1 96 96 THR CA C 13 61.343 0.200 . 1 . . . . 94 THR CA . 17743 1 374 . 1 1 96 96 THR N N 15 113.508 0.20 . 1 . . . . 94 THR N . 17743 1 375 . 1 1 97 97 CYS H H 1 8.689 0.02 . 1 . . . . 95 CYS H . 17743 1 376 . 1 1 97 97 CYS C C 13 175.124 0.20 . 1 . . . . 95 CYS C . 17743 1 377 . 1 1 97 97 CYS CA C 13 54.277 0.200 . 1 . . . . 95 CYS CA . 17743 1 378 . 1 1 97 97 CYS CB C 13 39.367 0.200 . 1 . . . . 95 CYS CB . 17743 1 379 . 1 1 97 97 CYS N N 15 122.590 0.20 . 1 . . . . 95 CYS N . 17743 1 380 . 1 1 98 98 GLU H H 1 9.525 0.02 . 1 . . . . 96 GLU H . 17743 1 381 . 1 1 98 98 GLU C C 13 175.664 0.20 . 1 . . . . 96 GLU C . 17743 1 382 . 1 1 98 98 GLU CA C 13 54.090 0.200 . 1 . . . . 96 GLU CA . 17743 1 383 . 1 1 98 98 GLU CB C 13 32.560 0.200 . 1 . . . . 96 GLU CB . 17743 1 384 . 1 1 98 98 GLU N N 15 122.970 0.20 . 1 . . . . 96 GLU N . 17743 1 385 . 1 1 99 99 LYS H H 1 9.215 0.02 . 1 . . . . 97 LYS H . 17743 1 386 . 1 1 99 99 LYS C C 13 176.203 0.20 . 1 . . . . 97 LYS C . 17743 1 387 . 1 1 99 99 LYS CA C 13 57.353 0.200 . 1 . . . . 97 LYS CA . 17743 1 388 . 1 1 99 99 LYS CB C 13 32.890 0.200 . 1 . . . . 97 LYS CB . 17743 1 389 . 1 1 99 99 LYS N N 15 123.042 0.20 . 1 . . . . 97 LYS N . 17743 1 390 . 1 1 100 100 ARG H H 1 7.947 0.02 . 1 . . . . 98 ARG H . 17743 1 391 . 1 1 100 100 ARG N N 15 127.540 0.20 . 1 . . . . 98 ARG N . 17743 1 392 . 1 1 100 100 ARG C C 13 180.634 0.20 . 1 . . . . 98 ARG C . 17743 1 393 . 1 1 100 100 ARG CA C 13 57.925 0.200 . 1 . . . . 98 ARG CA . 17743 1 394 . 1 1 100 100 ARG CB C 13 31.738 0.200 . 1 . . . . 98 ARG CB . 17743 1 stop_ save_