data_4121 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4121 _Entry.Title ; 1H, 13C and 15N Assignment of the Isl-1 Homeodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-03-09 _Entry.Accession_date 1998-03-09 _Entry.Last_release_date 1998-10-09 _Entry.Original_release_date 1998-10-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; The data reported here represent the chemical shift assignment of the Isl-1 homeodomain (residues 2-66) obtained from various homonuclear and heteronuclear NMR experiments. ; _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 Johannes Ippel . H. . 4121 2 Goran Larsson . . . 4121 3 Gity Behravan . . . 4121 4 Martin Lundqvist . . . 4121 5 Per-Olof Lycksell . . . 4121 6 Juergen Schleucher . . . 4121 7 Janusz Zdunek . . . 4121 8 Sybren Wijmenga . S. . 4121 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4121 coupling_constants 1 4121 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 162 4121 '15N chemical shifts' 68 4121 '1H chemical shifts' 474 4121 'coupling constants' 60 4121 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1998-10-09 1998-03-09 original author . 4121 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4121 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98424560 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Ippel, J.H., Larsson, G., Behravan, G., Lundqvist, M., Lycksell , P.-O., Schleucher, J., Zdunek, J., and Wijmenga, S.S., "1H, 13C and 15N Assignment of the Isl-1 Homeodomain," J. Biomol. NMR 12, 357-359 (1998). ; _Citation.Title '1H, 13C and 15N Assignment of the Isl-1 Homeodomain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 2 _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 357 _Citation.Page_last 359 _Citation.Year 1998 _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 Johannes Ippel . H. . 4121 1 2 Goran Larsson . . . 4121 1 3 Gity Behravan . . . 4121 1 4 Martin Lundqvist . . . 4121 1 5 Per-Olof Lycksell . . . 4121 1 6 Juergen Schleucher . . . 4121 1 7 Janusz Zdunek . . . 4121 1 8 Sybren Wijmenga . S. . 4121 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID alpha-helix 4121 1 assignment 4121 1 DNA-binding 4121 1 homeodomain 4121 1 Isl-1 4121 1 NMR 4121 1 NMR 4121 1 protein 4121 1 spectroscopy 4121 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Isl-1-HD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Isl-1-HD _Assembly.Entry_ID 4121 _Assembly.ID 1 _Assembly.Name 'Isl-1 homeodomain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4121 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 Isl-1-HD 1 $Isl-1-HD . . yes native . . . . . 4121 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BW5 . 'The Nmr Solution Structure Of The Homeodomain Of The Rat Insulin Gene Enhancer Protein Isl-1, 50 Structures' . . . . 4121 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Isl-1-HD abbreviation 4121 1 'Isl-1 homeodomain' system 4121 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Isl-1-HD _Entity.Sf_category entity _Entity.Sf_framecode Isl-1-HD _Entity.Entry_ID 4121 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Isl-1 homeodomain' _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 ; MKTTRVRTVLNEKQLHTLRT CYAANPRPDALMKEQLVEMT GLSPRVIRVWFQNKRCKDKK RSIMMK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7860 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1BW5 . "The Nmr Solution Structure Of The Homeodomain Of The Rat Insulin Gene Enhancer Protein Isl-1, 50 Structures" . . . . . 98.48 66 100.00 100.00 4.56e-39 . . . . 4121 1 2 no DBJ BAA04670 . "insulin gene enhancer binding protein [Danio rerio]" . . . . . 98.48 349 96.92 98.46 4.55e-35 . . . . 4121 1 3 no DBJ BAA07485 . "zfIsl-3 [Danio rerio]" . . . . . 98.48 358 96.92 98.46 4.19e-35 . . . . 4121 1 4 no DBJ BAB29088 . "unnamed protein product [Mus musculus]" . . . . . 98.48 359 96.92 100.00 9.43e-36 . . . . 4121 1 5 no DBJ BAC41153 . "unnamed protein product [Mus musculus]" . . . . . 98.48 349 98.46 98.46 1.27e-34 . . . . 4121 1 6 no DBJ BAC57891 . "transcription factor islet-1 isoform beta [Mus musculus]" . . . . . 98.48 326 100.00 100.00 1.29e-36 . . . . 4121 1 7 no EMBL CAA37349 . "insulin gene enhancer binding protein [Rattus rattus]" . . . . . 98.48 313 100.00 100.00 1.56e-36 . . . . 4121 1 8 no EMBL CAB38446 . "Lim-homeodomain protein Islet1 [Mus musculus]" . . . . . 98.48 349 100.00 100.00 1.76e-36 . . . . 4121 1 9 no EMBL CAI11499 . "islet 3 [Danio rerio]" . . . . . 98.48 358 96.92 98.46 4.19e-35 . . . . 4121 1 10 no EMBL CDQ88523 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.48 363 96.92 98.46 1.42e-34 . . . . 4121 1 11 no EMBL CDQ89879 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 98.48 363 96.92 98.46 1.17e-34 . . . . 4121 1 12 no GB AAA62161 . "amino acid feature: homeodomain, bp 647 .. 826; amino acid feature: LIM1, bp 155 .. 307; amino acid feature: LIM2, bp 341 .. 49" . . . . . 98.48 360 96.92 100.00 7.15e-36 . . . . 4121 1 13 no GB AAA62171 . "amino acid feature: LIM1, bp 331 .. 483; amino acid feature: LIM2, bp 517 .. 669; amino acid feature: homeodomain, bp 820 .. 99" . . . . . 98.48 349 100.00 100.00 1.83e-36 . . . . 4121 1 14 no GB AAA62172 . "sequence encoding 37 predicted 5' amino acids has not been determined, partial [Gallus gallus]" . . . . . 98.48 319 96.92 100.00 1.03e-34 . . . . 4121 1 15 no GB AAA80274 . "LIM domain homeobox protein, partial [Danio rerio]" . . . . . 72.73 167 97.92 97.92 6.87e-23 . . . . 4121 1 16 no GB AAA80275 . "LIM domain homeobox protein, partial [Danio rerio]" . . . . . 72.73 167 97.92 97.92 4.40e-23 . . . . 4121 1 17 no PIR I67418 . "transcription factor isl-1 - hamster" . . . . . 98.48 349 100.00 100.00 1.76e-36 . . . . 4121 1 18 no PRF 1608207A . "insulin gene enhancer binding protein Isl-1" . . . . . 98.48 349 100.00 100.00 1.76e-36 . . . . 4121 1 19 no REF NP_001092600 . "insulin gene enhancer protein ISL-1 [Bos taurus]" . . . . . 98.48 349 100.00 100.00 1.76e-36 . . . . 4121 1 20 no REF NP_001104188 . "ISL LIM homeobox 1 [Xenopus laevis]" . . . . . 98.48 354 96.92 100.00 1.87e-35 . . . . 4121 1 21 no REF NP_001159513 . "insulin gene enhancer protein ISL-2 [Xenopus (Silurana) tropicalis]" . . . . . 98.48 333 96.92 100.00 7.94e-36 . . . . 4121 1 22 no REF NP_002193 . "insulin gene enhancer protein ISL-1 [Homo sapiens]" . . . . . 98.48 349 100.00 100.00 1.76e-36 . . . . 4121 1 23 no REF NP_059035 . "insulin gene enhancer protein ISL-1 [Rattus norvegicus]" . . . . . 98.48 349 100.00 100.00 1.76e-36 . . . . 4121 1 24 no SP P50211 . "RecName: Full=Insulin gene enhancer protein ISL-1; Short=Islet-1" . . . . . 98.48 349 100.00 100.00 1.83e-36 . . . . 4121 1 25 no SP P50480 . "RecName: Full=Insulin gene enhancer protein ISL-2; Short=Islet-2" . . . . . 98.48 360 96.92 100.00 7.15e-36 . . . . 4121 1 26 no SP P53405 . "RecName: Full=Insulin gene enhancer protein isl-1; Short=Islet-1" . . . . . 98.48 349 96.92 98.46 4.55e-35 . . . . 4121 1 27 no SP P53407 . "RecName: Full=Insulin gene enhancer protein isl-2b; Short=Islet-2B; AltName: Full=Insulin gene enhancer protein isl-3; Short=Is" . . . . . 98.48 358 96.92 98.46 4.19e-35 . . . . 4121 1 28 no SP P53408 . "RecName: Full=Insulin gene enhancer protein ISL-2A; Short=Islet-2A" . . . . . 98.48 358 96.92 96.92 7.73e-35 . . . . 4121 1 29 no TPG DAA17547 . "TPA: ISL LIM homeobox 2 [Bos taurus]" . . . . . 98.48 359 96.92 100.00 3.72e-35 . . . . 4121 1 30 no TPG DAA17902 . "TPA: islet-1 [Bos taurus]" . . . . . 98.48 349 100.00 100.00 1.76e-36 . . . . 4121 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Isl-1-HD abbreviation 4121 1 'Isl-1-HD (residues 1-66)' variant 4121 1 'Isl-1 homeodomain' common 4121 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 1 MET . 4121 1 2 2 LYS . 4121 1 3 3 THR . 4121 1 4 4 THR . 4121 1 5 5 ARG . 4121 1 6 6 VAL . 4121 1 7 7 ARG . 4121 1 8 8 THR . 4121 1 9 9 VAL . 4121 1 10 10 LEU . 4121 1 11 11 ASN . 4121 1 12 12 GLU . 4121 1 13 13 LYS . 4121 1 14 14 GLN . 4121 1 15 15 LEU . 4121 1 16 16 HIS . 4121 1 17 17 THR . 4121 1 18 18 LEU . 4121 1 19 19 ARG . 4121 1 20 20 THR . 4121 1 21 21 CYS . 4121 1 22 22 TYR . 4121 1 23 23 ALA . 4121 1 24 24 ALA . 4121 1 25 25 ASN . 4121 1 26 26 PRO . 4121 1 27 27 ARG . 4121 1 28 28 PRO . 4121 1 29 29 ASP . 4121 1 30 30 ALA . 4121 1 31 31 LEU . 4121 1 32 32 MET . 4121 1 33 33 LYS . 4121 1 34 34 GLU . 4121 1 35 35 GLN . 4121 1 36 36 LEU . 4121 1 37 37 VAL . 4121 1 38 38 GLU . 4121 1 39 39 MET . 4121 1 40 40 THR . 4121 1 41 41 GLY . 4121 1 42 42 LEU . 4121 1 43 43 SER . 4121 1 44 44 PRO . 4121 1 45 45 ARG . 4121 1 46 46 VAL . 4121 1 47 47 ILE . 4121 1 48 48 ARG . 4121 1 49 49 VAL . 4121 1 50 50 TRP . 4121 1 51 51 PHE . 4121 1 52 52 GLN . 4121 1 53 53 ASN . 4121 1 54 54 LYS . 4121 1 55 55 ARG . 4121 1 56 56 CYS . 4121 1 57 57 LYS . 4121 1 58 58 ASP . 4121 1 59 59 LYS . 4121 1 60 60 LYS . 4121 1 61 61 ARG . 4121 1 62 62 SER . 4121 1 63 63 ILE . 4121 1 64 64 MET . 4121 1 65 65 MET . 4121 1 66 66 LYS . 4121 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4121 1 . LYS 2 2 4121 1 . THR 3 3 4121 1 . THR 4 4 4121 1 . ARG 5 5 4121 1 . VAL 6 6 4121 1 . ARG 7 7 4121 1 . THR 8 8 4121 1 . VAL 9 9 4121 1 . LEU 10 10 4121 1 . ASN 11 11 4121 1 . GLU 12 12 4121 1 . LYS 13 13 4121 1 . GLN 14 14 4121 1 . LEU 15 15 4121 1 . HIS 16 16 4121 1 . THR 17 17 4121 1 . LEU 18 18 4121 1 . ARG 19 19 4121 1 . THR 20 20 4121 1 . CYS 21 21 4121 1 . TYR 22 22 4121 1 . ALA 23 23 4121 1 . ALA 24 24 4121 1 . ASN 25 25 4121 1 . PRO 26 26 4121 1 . ARG 27 27 4121 1 . PRO 28 28 4121 1 . ASP 29 29 4121 1 . ALA 30 30 4121 1 . LEU 31 31 4121 1 . MET 32 32 4121 1 . LYS 33 33 4121 1 . GLU 34 34 4121 1 . GLN 35 35 4121 1 . LEU 36 36 4121 1 . VAL 37 37 4121 1 . GLU 38 38 4121 1 . MET 39 39 4121 1 . THR 40 40 4121 1 . GLY 41 41 4121 1 . LEU 42 42 4121 1 . SER 43 43 4121 1 . PRO 44 44 4121 1 . ARG 45 45 4121 1 . VAL 46 46 4121 1 . ILE 47 47 4121 1 . ARG 48 48 4121 1 . VAL 49 49 4121 1 . TRP 50 50 4121 1 . PHE 51 51 4121 1 . GLN 52 52 4121 1 . ASN 53 53 4121 1 . LYS 54 54 4121 1 . ARG 55 55 4121 1 . CYS 56 56 4121 1 . LYS 57 57 4121 1 . ASP 58 58 4121 1 . LYS 59 59 4121 1 . LYS 60 60 4121 1 . ARG 61 61 4121 1 . SER 62 62 4121 1 . ILE 63 63 4121 1 . MET 64 64 4121 1 . MET 65 65 4121 1 . LYS 66 66 4121 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 4121 _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 $Isl-1-HD . 10117 . . 'Rattus rattus' Rat . . Eukaryota Metazoa Rattus rattus . . . pancreas 'pancreatic endocrine' . . . . . . . . . . . . . . . . 4121 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 4121 _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 $Isl-1-HD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE)3/pLysS . . . . . . . . . . . . plasmid . . pET11a . . . . . . 4121 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4121 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Isl-1 homeodomain' . . . 1 $Isl-1-HD . . 0.8 . . mM . . . . 4121 1 2 DTT . . . . . . . 10 . . mM . . . . 4121 1 3 NaCl . . . . . . . 25 . . mM . . . . 4121 1 4 Na2HPO4/NaH2PO4 . . . . . . . 25 . . mM . . . . 4121 1 5 D2O . . . . . . . 10 . . % . . . . 4121 1 6 H2O . . . . . . . 90 . . % . . . . 4121 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4121 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Isl-1 homeodomain' [U-15N] . . 1 $Isl-1-HD . . 0.45 . . mM . . . . 4121 2 2 DTT . . . . . . . 10 . . mM . . . . 4121 2 3 NaCl . . . . . . . 25 . . mM . . . . 4121 2 4 Na2HPO4/NaH2PO4 . . . . . . . 25 . . mM . . . . 4121 2 5 D2O . . . . . . . 10 . . % . . . . 4121 2 6 H2O . . . . . . . 90 . . % . . . . 4121 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4121 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Isl-1 homeodomain' [U-15N;U-13C] . . 1 $Isl-1-HD . . 1.8 . . mM . . . . 4121 3 2 DTT . . . . . . . 10 . . mM . . . . 4121 3 3 NaCl . . . . . . . 25 . . mM . . . . 4121 3 4 Na2HPO4/NaH2PO4 . . . . . . . 25 . . mM . . . . 4121 3 5 D2O . . . . . . . 10 . . % . . . . 4121 3 6 H2O . . . . . . . 90 . . % . . . . 4121 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4121 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4121 1 temperature 281 . K 4121 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4121 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4121 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker DRX600 . 600 . . . 4121 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 4121 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4121 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449453 . . . . . . . . . 4121 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . . . . . 4121 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 4121 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4121 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4121 1 . . 2 $sample_two . 4121 1 . . 3 $sample_three . 4121 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 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 4121 1 2 . 1 1 2 2 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4121 1 3 . 1 1 2 2 LYS HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4121 1 4 . 1 1 2 2 LYS HG2 H 1 1.36 0.02 . 2 . . . . . . . . 4121 1 5 . 1 1 2 2 LYS HG3 H 1 1.36 0.02 . 2 . . . . . . . . 4121 1 6 . 1 1 2 2 LYS HD2 H 1 1.61 0.02 . 2 . . . . . . . . 4121 1 7 . 1 1 2 2 LYS HD3 H 1 1.61 0.02 . 2 . . . . . . . . 4121 1 8 . 1 1 2 2 LYS HE2 H 1 2.90 0.02 . 2 . . . . . . . . 4121 1 9 . 1 1 2 2 LYS HE3 H 1 2.90 0.02 . 2 . . . . . . . . 4121 1 10 . 1 1 2 2 LYS CA C 13 56.53 0.1 . 1 . . . . . . . . 4121 1 11 . 1 1 2 2 LYS CB C 13 33.21 0.1 . 1 . . . . . . . . 4121 1 12 . 1 1 3 3 THR H H 1 8.443 0.01 . 1 . . . . . . . . 4121 1 13 . 1 1 3 3 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 4121 1 14 . 1 1 3 3 THR HB H 1 4.11 0.02 . 1 . . . . . . . . 4121 1 15 . 1 1 3 3 THR HG21 H 1 1.11 0.02 . 1 . . . . . . . . 4121 1 16 . 1 1 3 3 THR HG22 H 1 1.11 0.02 . 1 . . . . . . . . 4121 1 17 . 1 1 3 3 THR HG23 H 1 1.11 0.02 . 1 . . . . . . . . 4121 1 18 . 1 1 3 3 THR CA C 13 61.82 0.1 . 1 . . . . . . . . 4121 1 19 . 1 1 3 3 THR CB C 13 69.86 0.1 . 1 . . . . . . . . 4121 1 20 . 1 1 3 3 THR CG2 C 13 21.6 0.1 . 1 . . . . . . . . 4121 1 21 . 1 1 3 3 THR N N 15 117.41 0.1 . 1 . . . . . . . . 4121 1 22 . 1 1 4 4 THR H H 1 8.338 0.01 . 1 . . . . . . . . 4121 1 23 . 1 1 4 4 THR HA H 1 4.26 0.02 . 1 . . . . . . . . 4121 1 24 . 1 1 4 4 THR HB H 1 4.08 0.02 . 1 . . . . . . . . 4121 1 25 . 1 1 4 4 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 4121 1 26 . 1 1 4 4 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 4121 1 27 . 1 1 4 4 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 4121 1 28 . 1 1 4 4 THR CA C 13 61.88 0.1 . 1 . . . . . . . . 4121 1 29 . 1 1 4 4 THR CB C 13 69.79 0.1 . 1 . . . . . . . . 4121 1 30 . 1 1 4 4 THR CG2 C 13 21.6 0.1 . 1 . . . . . . . . 4121 1 31 . 1 1 4 4 THR N N 15 118.21 0.1 . 1 . . . . . . . . 4121 1 32 . 1 1 5 5 ARG H H 1 8.487 0.01 . 1 . . . . . . . . 4121 1 33 . 1 1 5 5 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4121 1 34 . 1 1 5 5 ARG HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4121 1 35 . 1 1 5 5 ARG HB3 H 1 1.69 0.02 . 2 . . . . . . . . 4121 1 36 . 1 1 5 5 ARG HG2 H 1 1.50 0.02 . 2 . . . . . . . . 4121 1 37 . 1 1 5 5 ARG HG3 H 1 1.50 0.02 . 2 . . . . . . . . 4121 1 38 . 1 1 5 5 ARG HD2 H 1 3.09 0.02 . 2 . . . . . . . . 4121 1 39 . 1 1 5 5 ARG HD3 H 1 3.09 0.02 . 2 . . . . . . . . 4121 1 40 . 1 1 5 5 ARG CA C 13 55.98 0.1 . 1 . . . . . . . . 4121 1 41 . 1 1 5 5 ARG CB C 13 30.97 0.1 . 1 . . . . . . . . 4121 1 42 . 1 1 5 5 ARG N N 15 125.02 0.1 . 1 . . . . . . . . 4121 1 43 . 1 1 6 6 VAL H H 1 8.387 0.01 . 1 . . . . . . . . 4121 1 44 . 1 1 6 6 VAL HA H 1 3.98 0.02 . 1 . . . . . . . . 4121 1 45 . 1 1 6 6 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 4121 1 46 . 1 1 6 6 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 4121 1 47 . 1 1 6 6 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 4121 1 48 . 1 1 6 6 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 4121 1 49 . 1 1 6 6 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 4121 1 50 . 1 1 6 6 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 4121 1 51 . 1 1 6 6 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 4121 1 52 . 1 1 6 6 VAL CA C 13 62.29 0.1 . 1 . . . . . . . . 4121 1 53 . 1 1 6 6 VAL CB C 13 32.77 0.1 . 1 . . . . . . . . 4121 1 54 . 1 1 6 6 VAL CG1 C 13 20.87 0.1 . 2 . . . . . . . . 4121 1 55 . 1 1 6 6 VAL CG2 C 13 21.29 0.1 . 2 . . . . . . . . 4121 1 56 . 1 1 6 6 VAL N N 15 123.58 0.1 . 1 . . . . . . . . 4121 1 57 . 1 1 7 7 ARG H H 1 8.595 0.01 . 1 . . . . . . . . 4121 1 58 . 1 1 7 7 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 4121 1 59 . 1 1 7 7 ARG HB2 H 1 1.71 0.02 . 2 . . . . . . . . 4121 1 60 . 1 1 7 7 ARG HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4121 1 61 . 1 1 7 7 ARG HG2 H 1 1.53 0.02 . 2 . . . . . . . . 4121 1 62 . 1 1 7 7 ARG HG3 H 1 1.53 0.02 . 2 . . . . . . . . 4121 1 63 . 1 1 7 7 ARG HD2 H 1 3.09 0.02 . 2 . . . . . . . . 4121 1 64 . 1 1 7 7 ARG HD3 H 1 3.09 0.02 . 2 . . . . . . . . 4121 1 65 . 1 1 7 7 ARG CA C 13 55.92 0.1 . 1 . . . . . . . . 4121 1 66 . 1 1 7 7 ARG CB C 13 31.06 0.1 . 1 . . . . . . . . 4121 1 67 . 1 1 7 7 ARG N N 15 126.70 0.1 . 1 . . . . . . . . 4121 1 68 . 1 1 8 8 THR H H 1 8.486 0.01 . 1 . . . . . . . . 4121 1 69 . 1 1 8 8 THR HA H 1 4.19 0.02 . 1 . . . . . . . . 4121 1 70 . 1 1 8 8 THR HB H 1 3.98 0.02 . 1 . . . . . . . . 4121 1 71 . 1 1 8 8 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 4121 1 72 . 1 1 8 8 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 4121 1 73 . 1 1 8 8 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 4121 1 74 . 1 1 8 8 THR CA C 13 62.43 0.1 . 1 . . . . . . . . 4121 1 75 . 1 1 8 8 THR CB C 13 69.74 0.1 . 1 . . . . . . . . 4121 1 76 . 1 1 8 8 THR CG2 C 13 21.68 0.1 . 1 . . . . . . . . 4121 1 77 . 1 1 8 8 THR N N 15 119.42 0.1 . 1 . . . . . . . . 4121 1 78 . 1 1 9 9 VAL H H 1 8.471 0.01 . 1 . . . . . . . . 4121 1 79 . 1 1 9 9 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . 4121 1 80 . 1 1 9 9 VAL HB H 1 1.96 0.02 . 1 . . . . . . . . 4121 1 81 . 1 1 9 9 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 4121 1 82 . 1 1 9 9 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 4121 1 83 . 1 1 9 9 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4121 1 84 . 1 1 9 9 VAL HG21 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 85 . 1 1 9 9 VAL HG22 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 86 . 1 1 9 9 VAL HG23 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 87 . 1 1 9 9 VAL CA C 13 62.17 0.1 . 1 . . . . . . . . 4121 1 88 . 1 1 9 9 VAL CB C 13 32.81 0.1 . 1 . . . . . . . . 4121 1 89 . 1 1 9 9 VAL CG1 C 13 20.69 0.1 . 2 . . . . . . . . 4121 1 90 . 1 1 9 9 VAL CG2 C 13 21.19 0.1 . 2 . . . . . . . . 4121 1 91 . 1 1 9 9 VAL N N 15 126.31 0.1 . 1 . . . . . . . . 4121 1 92 . 1 1 10 10 LEU H H 1 8.405 0.01 . 1 . . . . . . . . 4121 1 93 . 1 1 10 10 LEU HA H 1 4.44 0.02 . 1 . . . . . . . . 4121 1 94 . 1 1 10 10 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 4121 1 95 . 1 1 10 10 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 4121 1 96 . 1 1 10 10 LEU HG H 1 1.29 0.02 . 1 . . . . . . . . 4121 1 97 . 1 1 10 10 LEU HD11 H 1 0.66 0.02 . 2 . . . . . . . . 4121 1 98 . 1 1 10 10 LEU HD12 H 1 0.66 0.02 . 2 . . . . . . . . 4121 1 99 . 1 1 10 10 LEU HD13 H 1 0.66 0.02 . 2 . . . . . . . . 4121 1 100 . 1 1 10 10 LEU HD21 H 1 0.54 0.02 . 2 . . . . . . . . 4121 1 101 . 1 1 10 10 LEU HD22 H 1 0.54 0.02 . 2 . . . . . . . . 4121 1 102 . 1 1 10 10 LEU HD23 H 1 0.54 0.02 . 2 . . . . . . . . 4121 1 103 . 1 1 10 10 LEU CA C 13 54.89 0.1 . 1 . . . . . . . . 4121 1 104 . 1 1 10 10 LEU CB C 13 42.94 0.1 . 1 . . . . . . . . 4121 1 105 . 1 1 10 10 LEU CD1 C 13 26.10 0.1 . 2 . . . . . . . . 4121 1 106 . 1 1 10 10 LEU CD2 C 13 25.33 0.1 . 2 . . . . . . . . 4121 1 107 . 1 1 10 10 LEU N N 15 127.41 0.1 . 1 . . . . . . . . 4121 1 108 . 1 1 11 11 ASN H H 1 8.561 0.01 . 1 . . . . . . . . 4121 1 109 . 1 1 11 11 ASN HA H 1 4.75 0.02 . 1 . . . . . . . . 4121 1 110 . 1 1 11 11 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4121 1 111 . 1 1 11 11 ASN HB3 H 1 3.20 0.02 . 2 . . . . . . . . 4121 1 112 . 1 1 11 11 ASN HD21 H 1 7.509 0.01 . 2 . . . . . . . . 4121 1 113 . 1 1 11 11 ASN HD22 H 1 7.117 0.01 . 2 . . . . . . . . 4121 1 114 . 1 1 11 11 ASN CA C 13 51.27 0.1 . 1 . . . . . . . . 4121 1 115 . 1 1 11 11 ASN CB C 13 39.02 0.1 . 1 . . . . . . . . 4121 1 116 . 1 1 11 11 ASN N N 15 119.89 0.1 . 1 . . . . . . . . 4121 1 117 . 1 1 11 11 ASN ND2 N 15 112.42 0.1 . 1 . . . . . . . . 4121 1 118 . 1 1 12 12 GLU H H 1 8.583 0.01 . 1 . . . . . . . . 4121 1 119 . 1 1 12 12 GLU HA H 1 3.91 0.02 . 1 . . . . . . . . 4121 1 120 . 1 1 12 12 GLU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4121 1 121 . 1 1 12 12 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4121 1 122 . 1 1 12 12 GLU HG2 H 1 2.27 0.02 . 2 . . . . . . . . 4121 1 123 . 1 1 12 12 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 4121 1 124 . 1 1 12 12 GLU CA C 13 59.96 0.1 . 1 . . . . . . . . 4121 1 125 . 1 1 12 12 GLU CB C 13 29.44 0.1 . 1 . . . . . . . . 4121 1 126 . 1 1 12 12 GLU N N 15 116.98 0.1 . 1 . . . . . . . . 4121 1 127 . 1 1 13 13 LYS H H 1 8.097 0.01 . 1 . . . . . . . . 4121 1 128 . 1 1 13 13 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4121 1 129 . 1 1 13 13 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4121 1 130 . 1 1 13 13 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4121 1 131 . 1 1 13 13 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 4121 1 132 . 1 1 13 13 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4121 1 133 . 1 1 13 13 LYS HD2 H 1 1.61 0.02 . 2 . . . . . . . . 4121 1 134 . 1 1 13 13 LYS HD3 H 1 1.61 0.02 . 2 . . . . . . . . 4121 1 135 . 1 1 13 13 LYS HE2 H 1 2.90 0.02 . 2 . . . . . . . . 4121 1 136 . 1 1 13 13 LYS HE3 H 1 2.90 0.02 . 2 . . . . . . . . 4121 1 137 . 1 1 13 13 LYS CA C 13 59.64 0.1 . 1 . . . . . . . . 4121 1 138 . 1 1 13 13 LYS CB C 13 32.13 0.1 . 1 . . . . . . . . 4121 1 139 . 1 1 13 13 LYS N N 15 121.92 0.1 . 1 . . . . . . . . 4121 1 140 . 1 1 14 14 GLN H H 1 8.558 0.01 . 1 . . . . . . . . 4121 1 141 . 1 1 14 14 GLN HA H 1 3.80 0.02 . 1 . . . . . . . . 4121 1 142 . 1 1 14 14 GLN HB2 H 1 2.28 0.02 . 2 . . . . . . . . 4121 1 143 . 1 1 14 14 GLN HB3 H 1 2.28 0.02 . 2 . . . . . . . . 4121 1 144 . 1 1 14 14 GLN HG2 H 1 2.77 0.02 . 2 . . . . . . . . 4121 1 145 . 1 1 14 14 GLN HG3 H 1 2.77 0.02 . 2 . . . . . . . . 4121 1 146 . 1 1 14 14 GLN HE21 H 1 7.643 0.01 . 2 . . . . . . . . 4121 1 147 . 1 1 14 14 GLN HE22 H 1 6.921 0.01 . 2 . . . . . . . . 4121 1 148 . 1 1 14 14 GLN CA C 13 59.05 0.1 . 1 . . . . . . . . 4121 1 149 . 1 1 14 14 GLN CB C 13 28.59 0.1 . 1 . . . . . . . . 4121 1 150 . 1 1 14 14 GLN N N 15 120.56 0.1 . 1 . . . . . . . . 4121 1 151 . 1 1 14 14 GLN NE2 N 15 113.20 0.1 . 1 . . . . . . . . 4121 1 152 . 1 1 15 15 LEU H H 1 8.409 0.01 . 1 . . . . . . . . 4121 1 153 . 1 1 15 15 LEU HA H 1 3.59 0.02 . 1 . . . . . . . . 4121 1 154 . 1 1 15 15 LEU HB2 H 1 1.58 0.02 . 2 . . . . . . . . 4121 1 155 . 1 1 15 15 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 4121 1 156 . 1 1 15 15 LEU HG H 1 1.41 0.02 . 4 . . . . . . . . 4121 1 157 . 1 1 15 15 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 158 . 1 1 15 15 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 159 . 1 1 15 15 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 160 . 1 1 15 15 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 4121 1 161 . 1 1 15 15 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 4121 1 162 . 1 1 15 15 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 4121 1 163 . 1 1 15 15 LEU CA C 13 57.98 0.1 . 1 . . . . . . . . 4121 1 164 . 1 1 15 15 LEU CB C 13 41.92 0.1 . 1 . . . . . . . . 4121 1 165 . 1 1 15 15 LEU CD1 C 13 24.98 0.1 . 2 . . . . . . . . 4121 1 166 . 1 1 15 15 LEU CD2 C 13 24.78 0.1 . 2 . . . . . . . . 4121 1 167 . 1 1 15 15 LEU N N 15 118.01 0.1 . 1 . . . . . . . . 4121 1 168 . 1 1 16 16 HIS H H 1 8.239 0.01 . 1 . . . . . . . . 4121 1 169 . 1 1 16 16 HIS HA H 1 4.19 0.02 . 1 . . . . . . . . 4121 1 170 . 1 1 16 16 HIS HB2 H 1 3.15 0.02 . 2 . . . . . . . . 4121 1 171 . 1 1 16 16 HIS HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4121 1 172 . 1 1 16 16 HIS CA C 13 60.27 0.1 . 1 . . . . . . . . 4121 1 173 . 1 1 16 16 HIS CB C 13 29.67 0.1 . 1 . . . . . . . . 4121 1 174 . 1 1 16 16 HIS N N 15 118.63 0.1 . 1 . . . . . . . . 4121 1 175 . 1 1 17 17 THR H H 1 8.153 0.01 . 1 . . . . . . . . 4121 1 176 . 1 1 17 17 THR HA H 1 3.60 0.02 . 1 . . . . . . . . 4121 1 177 . 1 1 17 17 THR HB H 1 4.05 0.02 . 1 . . . . . . . . 4121 1 178 . 1 1 17 17 THR HG21 H 1 1.01 0.02 . 1 . . . . . . . . 4121 1 179 . 1 1 17 17 THR HG22 H 1 1.01 0.02 . 1 . . . . . . . . 4121 1 180 . 1 1 17 17 THR HG23 H 1 1.01 0.02 . 1 . . . . . . . . 4121 1 181 . 1 1 17 17 THR CA C 13 67.11 0.1 . 1 . . . . . . . . 4121 1 182 . 1 1 17 17 THR CB C 13 68.33 0.1 . 1 . . . . . . . . 4121 1 183 . 1 1 17 17 THR CG2 C 13 22.70 0.2 . 1 . . . . . . . . 4121 1 184 . 1 1 17 17 THR N N 15 119.57 0.1 . 1 . . . . . . . . 4121 1 185 . 1 1 18 18 LEU H H 1 7.969 0.01 . 1 . . . . . . . . 4121 1 186 . 1 1 18 18 LEU HA H 1 3.43 0.02 . 1 . . . . . . . . 4121 1 187 . 1 1 18 18 LEU HB2 H 1 0.57 0.02 . 1 . . . . . . . . 4121 1 188 . 1 1 18 18 LEU HB3 H 1 -0.70 0.02 . 1 . . . . . . . . 4121 1 189 . 1 1 18 18 LEU HG H 1 1.23 0.02 . 1 . . . . . . . . 4121 1 190 . 1 1 18 18 LEU HD11 H 1 -0.38 0.02 . 1 . . . . . . . . 4121 1 191 . 1 1 18 18 LEU HD12 H 1 -0.38 0.02 . 1 . . . . . . . . 4121 1 192 . 1 1 18 18 LEU HD13 H 1 -0.38 0.02 . 1 . . . . . . . . 4121 1 193 . 1 1 18 18 LEU HD21 H 1 0.49 0.02 . 1 . . . . . . . . 4121 1 194 . 1 1 18 18 LEU HD22 H 1 0.49 0.02 . 1 . . . . . . . . 4121 1 195 . 1 1 18 18 LEU HD23 H 1 0.49 0.02 . 1 . . . . . . . . 4121 1 196 . 1 1 18 18 LEU CA C 13 58.81 0.1 . 1 . . . . . . . . 4121 1 197 . 1 1 18 18 LEU CB C 13 38.45 0.1 . 1 . . . . . . . . 4121 1 198 . 1 1 18 18 LEU CD1 C 13 23.12 0.1 . 1 . . . . . . . . 4121 1 199 . 1 1 18 18 LEU CD2 C 13 24.51 0.1 . 1 . . . . . . . . 4121 1 200 . 1 1 18 18 LEU N N 15 122.29 0.1 . 1 . . . . . . . . 4121 1 201 . 1 1 19 19 ARG H H 1 8.629 0.01 . 1 . . . . . . . . 4121 1 202 . 1 1 19 19 ARG HA H 1 3.87 0.02 . 1 . . . . . . . . 4121 1 203 . 1 1 19 19 ARG HB2 H 1 1.84 0.04 . 2 . . . . . . . . 4121 1 204 . 1 1 19 19 ARG HB3 H 1 1.84 0.04 . 2 . . . . . . . . 4121 1 205 . 1 1 19 19 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 4121 1 206 . 1 1 19 19 ARG HG3 H 1 1.64 0.02 . 2 . . . . . . . . 4121 1 207 . 1 1 19 19 ARG HD2 H 1 3.08 0.02 . 2 . . . . . . . . 4121 1 208 . 1 1 19 19 ARG HD3 H 1 3.08 0.02 . 2 . . . . . . . . 4121 1 209 . 1 1 19 19 ARG CA C 13 60.51 0.1 . 1 . . . . . . . . 4121 1 210 . 1 1 19 19 ARG CB C 13 30.65 0.1 . 1 . . . . . . . . 4121 1 211 . 1 1 19 19 ARG N N 15 117.53 0.1 . 1 . . . . . . . . 4121 1 212 . 1 1 20 20 THR H H 1 8.143 0.01 . 1 . . . . . . . . 4121 1 213 . 1 1 20 20 THR HA H 1 3.78 0.02 . 1 . . . . . . . . 4121 1 214 . 1 1 20 20 THR HB H 1 4.04 0.02 . 1 . . . . . . . . 4121 1 215 . 1 1 20 20 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 4121 1 216 . 1 1 20 20 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 4121 1 217 . 1 1 20 20 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 4121 1 218 . 1 1 20 20 THR CA C 13 66.77 0.1 . 1 . . . . . . . . 4121 1 219 . 1 1 20 20 THR CB C 13 68.60 0.1 . 1 . . . . . . . . 4121 1 220 . 1 1 20 20 THR CG2 C 13 21.27 0.1 . 1 . . . . . . . . 4121 1 221 . 1 1 20 20 THR N N 15 116.92 0.1 . 1 . . . . . . . . 4121 1 222 . 1 1 21 21 CYS H H 1 7.820 0.01 . 1 . . . . . . . . 4121 1 223 . 1 1 21 21 CYS HA H 1 4.24 0.02 . 1 . . . . . . . . 4121 1 224 . 1 1 21 21 CYS HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4121 1 225 . 1 1 21 21 CYS HB3 H 1 3.09 0.02 . 2 . . . . . . . . 4121 1 226 . 1 1 21 21 CYS CA C 13 63.14 0.1 . 1 . . . . . . . . 4121 1 227 . 1 1 21 21 CYS CB C 13 26.91 0.1 . 1 . . . . . . . . 4121 1 228 . 1 1 21 21 CYS N N 15 122.22 0.1 . 1 . . . . . . . . 4121 1 229 . 1 1 22 22 TYR H H 1 8.891 0.01 . 1 . . . . . . . . 4121 1 230 . 1 1 22 22 TYR HA H 1 4.10 0.02 . 1 . . . . . . . . 4121 1 231 . 1 1 22 22 TYR HB2 H 1 3.05 0.02 . 2 . . . . . . . . 4121 1 232 . 1 1 22 22 TYR HB3 H 1 3.05 0.02 . 2 . . . . . . . . 4121 1 233 . 1 1 22 22 TYR HD1 H 1 7.03 0.02 . 3 . . . . . . . . 4121 1 234 . 1 1 22 22 TYR HD2 H 1 7.03 0.02 . 3 . . . . . . . . 4121 1 235 . 1 1 22 22 TYR HE1 H 1 6.73 0.02 . 3 . . . . . . . . 4121 1 236 . 1 1 22 22 TYR HE2 H 1 6.73 0.02 . 3 . . . . . . . . 4121 1 237 . 1 1 22 22 TYR CA C 13 61.87 0.1 . 1 . . . . . . . . 4121 1 238 . 1 1 22 22 TYR CB C 13 38.58 0.1 . 1 . . . . . . . . 4121 1 239 . 1 1 22 22 TYR N N 15 120.38 0.1 . 1 . . . . . . . . 4121 1 240 . 1 1 23 23 ALA H H 1 7.696 0.01 . 1 . . . . . . . . 4121 1 241 . 1 1 23 23 ALA HA H 1 3.94 0.02 . 1 . . . . . . . . 4121 1 242 . 1 1 23 23 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 4121 1 243 . 1 1 23 23 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 4121 1 244 . 1 1 23 23 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 4121 1 245 . 1 1 23 23 ALA CA C 13 54.18 0.1 . 1 . . . . . . . . 4121 1 246 . 1 1 23 23 ALA CB C 13 18.34 0.1 . 1 . . . . . . . . 4121 1 247 . 1 1 23 23 ALA N N 15 117.01 0.1 . 1 . . . . . . . . 4121 1 248 . 1 1 24 24 ALA H H 1 7.086 0.01 . 1 . . . . . . . . 4121 1 249 . 1 1 24 24 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4121 1 250 . 1 1 24 24 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 4121 1 251 . 1 1 24 24 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 4121 1 252 . 1 1 24 24 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 4121 1 253 . 1 1 24 24 ALA CA C 13 53.35 0.1 . 1 . . . . . . . . 4121 1 254 . 1 1 24 24 ALA CB C 13 19.71 0.1 . 1 . . . . . . . . 4121 1 255 . 1 1 24 24 ALA N N 15 118.25 0.1 . 1 . . . . . . . . 4121 1 256 . 1 1 25 25 ASN H H 1 8.243 0.01 . 1 . . . . . . . . 4121 1 257 . 1 1 25 25 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 4121 1 258 . 1 1 25 25 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4121 1 259 . 1 1 25 25 ASN HB3 H 1 2.60 0.02 . 2 . . . . . . . . 4121 1 260 . 1 1 25 25 ASN HD21 H 1 7.431 0.01 . 2 . . . . . . . . 4121 1 261 . 1 1 25 25 ASN HD22 H 1 6.786 0.01 . 2 . . . . . . . . 4121 1 262 . 1 1 25 25 ASN CA C 13 50.92 0.2 . 1 . . . . . . . . 4121 1 263 . 1 1 25 25 ASN N N 15 115.54 0.1 . 1 . . . . . . . . 4121 1 264 . 1 1 25 25 ASN ND2 N 15 112.43 0.1 . 1 . . . . . . . . 4121 1 265 . 1 1 26 26 PRO HA H 1 4.20 0.02 . 1 . . . . . . . . 4121 1 266 . 1 1 26 26 PRO HB2 H 1 1.44 0.02 . 2 . . . . . . . . 4121 1 267 . 1 1 26 26 PRO HB3 H 1 1.44 0.02 . 2 . . . . . . . . 4121 1 268 . 1 1 26 26 PRO HG2 H 1 1.68 0.02 . 2 . . . . . . . . 4121 1 269 . 1 1 26 26 PRO HG3 H 1 1.68 0.02 . 2 . . . . . . . . 4121 1 270 . 1 1 26 26 PRO HD2 H 1 3.65 0.02 . 2 . . . . . . . . 4121 1 271 . 1 1 26 26 PRO HD3 H 1 3.27 0.02 . 2 . . . . . . . . 4121 1 272 . 1 1 26 26 PRO CA C 13 63.82 0.1 . 1 . . . . . . . . 4121 1 273 . 1 1 26 26 PRO CB C 13 32.58 0.1 . 1 . . . . . . . . 4121 1 274 . 1 1 26 26 PRO CD C 13 49.95 0.1 . 1 . . . . . . . . 4121 1 275 . 1 1 27 27 ARG H H 1 7.804 0.01 . 1 . . . . . . . . 4121 1 276 . 1 1 27 27 ARG HA H 1 4.47 0.02 . 1 . . . . . . . . 4121 1 277 . 1 1 27 27 ARG HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4121 1 278 . 1 1 27 27 ARG HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4121 1 279 . 1 1 27 27 ARG HG2 H 1 1.42 0.02 . 2 . . . . . . . . 4121 1 280 . 1 1 27 27 ARG HG3 H 1 1.42 0.02 . 2 . . . . . . . . 4121 1 281 . 1 1 27 27 ARG CA C 13 52.99 0.1 . 1 . . . . . . . . 4121 1 282 . 1 1 27 27 ARG N N 15 117.98 0.1 . 1 . . . . . . . . 4121 1 283 . 1 1 28 28 PRO HA H 1 4.08 0.02 . 1 . . . . . . . . 4121 1 284 . 1 1 28 28 PRO HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4121 1 285 . 1 1 28 28 PRO HB3 H 1 1.43 0.02 . 2 . . . . . . . . 4121 1 286 . 1 1 28 28 PRO HG2 H 1 0.92 0.03 . 2 . . . . . . . . 4121 1 287 . 1 1 28 28 PRO HG3 H 1 0.63 0.02 . 2 . . . . . . . . 4121 1 288 . 1 1 28 28 PRO HD2 H 1 3.23 0.02 . 2 . . . . . . . . 4121 1 289 . 1 1 28 28 PRO HD3 H 1 3.04 0.02 . 2 . . . . . . . . 4121 1 290 . 1 1 28 28 PRO CA C 13 62.69 0.1 . 1 . . . . . . . . 4121 1 291 . 1 1 28 28 PRO CB C 13 32.08 0.1 . 1 . . . . . . . . 4121 1 292 . 1 1 28 28 PRO CD C 13 50.75 0.1 . 1 . . . . . . . . 4121 1 293 . 1 1 29 29 ASP H H 1 7.931 0.01 . 1 . . . . . . . . 4121 1 294 . 1 1 29 29 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 4121 1 295 . 1 1 29 29 ASP HB2 H 1 3.08 0.02 . 2 . . . . . . . . 4121 1 296 . 1 1 29 29 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4121 1 297 . 1 1 29 29 ASP CA C 13 52.10 0.1 . 1 . . . . . . . . 4121 1 298 . 1 1 29 29 ASP CB C 13 41.03 0.1 . 1 . . . . . . . . 4121 1 299 . 1 1 29 29 ASP N N 15 121.37 0.1 . 1 . . . . . . . . 4121 1 300 . 1 1 30 30 ALA H H 1 8.349 0.01 . 1 . . . . . . . . 4121 1 301 . 1 1 30 30 ALA HA H 1 3.81 0.02 . 1 . . . . . . . . 4121 1 302 . 1 1 30 30 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 4121 1 303 . 1 1 30 30 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4121 1 304 . 1 1 30 30 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4121 1 305 . 1 1 30 30 ALA CA C 13 55.98 0.1 . 1 . . . . . . . . 4121 1 306 . 1 1 30 30 ALA CB C 13 18.70 0.1 . 1 . . . . . . . . 4121 1 307 . 1 1 30 30 ALA N N 15 119.62 0.1 . 1 . . . . . . . . 4121 1 308 . 1 1 31 31 LEU H H 1 7.837 0.01 . 1 . . . . . . . . 4121 1 309 . 1 1 31 31 LEU HA H 1 4.06 0.02 . 1 . . . . . . . . 4121 1 310 . 1 1 31 31 LEU HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4121 1 311 . 1 1 31 31 LEU HB3 H 1 1.55 0.02 . 2 . . . . . . . . 4121 1 312 . 1 1 31 31 LEU HG H 1 1.41 0.02 . 1 . . . . . . . . 4121 1 313 . 1 1 31 31 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4121 1 314 . 1 1 31 31 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4121 1 315 . 1 1 31 31 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4121 1 316 . 1 1 31 31 LEU HD21 H 1 0.77 0.02 . 2 . . . . . . . . 4121 1 317 . 1 1 31 31 LEU HD22 H 1 0.77 0.02 . 2 . . . . . . . . 4121 1 318 . 1 1 31 31 LEU HD23 H 1 0.77 0.02 . 2 . . . . . . . . 4121 1 319 . 1 1 31 31 LEU CA C 13 57.80 0.1 . 1 . . . . . . . . 4121 1 320 . 1 1 31 31 LEU CB C 13 41.00 0.1 . 1 . . . . . . . . 4121 1 321 . 1 1 31 31 LEU CD1 C 13 24.44 0.1 . 2 . . . . . . . . 4121 1 322 . 1 1 31 31 LEU CD2 C 13 24.16 0.1 . 2 . . . . . . . . 4121 1 323 . 1 1 31 31 LEU N N 15 119.37 0.1 . 1 . . . . . . . . 4121 1 324 . 1 1 32 32 MET H H 1 8.286 0.01 . 1 . . . . . . . . 4121 1 325 . 1 1 32 32 MET HA H 1 4.28 0.02 . 1 . . . . . . . . 4121 1 326 . 1 1 32 32 MET HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4121 1 327 . 1 1 32 32 MET HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4121 1 328 . 1 1 32 32 MET HG2 H 1 2.33 0.02 . 2 . . . . . . . . 4121 1 329 . 1 1 32 32 MET HG3 H 1 2.49 0.02 . 2 . . . . . . . . 4121 1 330 . 1 1 32 32 MET CA C 13 57.69 0.1 . 1 . . . . . . . . 4121 1 331 . 1 1 32 32 MET CB C 13 32.17 0.1 . 1 . . . . . . . . 4121 1 332 . 1 1 32 32 MET N N 15 121.33 0.1 . 1 . . . . . . . . 4121 1 333 . 1 1 33 33 LYS H H 1 8.516 0.01 . 1 . . . . . . . . 4121 1 334 . 1 1 33 33 LYS HA H 1 3.64 0.02 . 1 . . . . . . . . 4121 1 335 . 1 1 33 33 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 4121 1 336 . 1 1 33 33 LYS HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4121 1 337 . 1 1 33 33 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 4121 1 338 . 1 1 33 33 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 4121 1 339 . 1 1 33 33 LYS CA C 13 61.53 0.1 . 1 . . . . . . . . 4121 1 340 . 1 1 33 33 LYS CB C 13 31.76 0.1 . 1 . . . . . . . . 4121 1 341 . 1 1 33 33 LYS N N 15 118.63 0.1 . 1 . . . . . . . . 4121 1 342 . 1 1 34 34 GLU H H 1 7.675 0.01 . 1 . . . . . . . . 4121 1 343 . 1 1 34 34 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 4121 1 344 . 1 1 34 34 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4121 1 345 . 1 1 34 34 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4121 1 346 . 1 1 34 34 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 4121 1 347 . 1 1 34 34 GLU HG3 H 1 2.37 0.02 . 2 . . . . . . . . 4121 1 348 . 1 1 34 34 GLU CA C 13 59.70 0.1 . 1 . . . . . . . . 4121 1 349 . 1 1 34 34 GLU CB C 13 29.40 0.1 . 1 . . . . . . . . 4121 1 350 . 1 1 34 34 GLU N N 15 119.22 0.1 . 1 . . . . . . . . 4121 1 351 . 1 1 35 35 GLN H H 1 8.113 0.01 . 1 . . . . . . . . 4121 1 352 . 1 1 35 35 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 4121 1 353 . 1 1 35 35 GLN HB2 H 1 2.30 0.02 . 2 . . . . . . . . 4121 1 354 . 1 1 35 35 GLN HB3 H 1 2.30 0.02 . 2 . . . . . . . . 4121 1 355 . 1 1 35 35 GLN HG2 H 1 2.50 0.02 . 2 . . . . . . . . 4121 1 356 . 1 1 35 35 GLN HG3 H 1 2.50 0.02 . 2 . . . . . . . . 4121 1 357 . 1 1 35 35 GLN HE21 H 1 7.377 0.01 . 2 . . . . . . . . 4121 1 358 . 1 1 35 35 GLN HE22 H 1 6.766 0.01 . 2 . . . . . . . . 4121 1 359 . 1 1 35 35 GLN CA C 13 58.86 0.1 . 1 . . . . . . . . 4121 1 360 . 1 1 35 35 GLN CB C 13 28.11 0.1 . 1 . . . . . . . . 4121 1 361 . 1 1 35 35 GLN N N 15 121.21 0.1 . 1 . . . . . . . . 4121 1 362 . 1 1 35 35 GLN NE2 N 15 111.50 0.1 . 1 . . . . . . . . 4121 1 363 . 1 1 36 36 LEU H H 1 8.521 0.01 . 1 . . . . . . . . 4121 1 364 . 1 1 36 36 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 4121 1 365 . 1 1 36 36 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4121 1 366 . 1 1 36 36 LEU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4121 1 367 . 1 1 36 36 LEU HG H 1 1.13 0.02 . 9 . . . . . . . . 4121 1 368 . 1 1 36 36 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 4121 1 369 . 1 1 36 36 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 4121 1 370 . 1 1 36 36 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 4121 1 371 . 1 1 36 36 LEU HD21 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 372 . 1 1 36 36 LEU HD22 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 373 . 1 1 36 36 LEU HD23 H 1 0.82 0.02 . 2 . . . . . . . . 4121 1 374 . 1 1 36 36 LEU CA C 13 58.29 0.1 . 1 . . . . . . . . 4121 1 375 . 1 1 36 36 LEU CB C 13 42.97 0.1 . 1 . . . . . . . . 4121 1 376 . 1 1 36 36 LEU CD1 C 13 26.68 0.1 . 2 . . . . . . . . 4121 1 377 . 1 1 36 36 LEU CD2 C 13 23.76 0.1 . 2 . . . . . . . . 4121 1 378 . 1 1 36 36 LEU N N 15 119.48 0.1 . 1 . . . . . . . . 4121 1 379 . 1 1 37 37 VAL H H 1 7.814 0.01 . 1 . . . . . . . . 4121 1 380 . 1 1 37 37 VAL HA H 1 3.56 0.02 . 1 . . . . . . . . 4121 1 381 . 1 1 37 37 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . 4121 1 382 . 1 1 37 37 VAL HG11 H 1 0.92 0.02 . 1 . . . . . . . . 4121 1 383 . 1 1 37 37 VAL HG12 H 1 0.92 0.02 . 1 . . . . . . . . 4121 1 384 . 1 1 37 37 VAL HG13 H 1 0.92 0.02 . 1 . . . . . . . . 4121 1 385 . 1 1 37 37 VAL HG21 H 1 0.98 0.02 . 1 . . . . . . . . 4121 1 386 . 1 1 37 37 VAL HG22 H 1 0.98 0.02 . 1 . . . . . . . . 4121 1 387 . 1 1 37 37 VAL HG23 H 1 0.98 0.02 . 1 . . . . . . . . 4121 1 388 . 1 1 37 37 VAL CA C 13 66.82 0.1 . 1 . . . . . . . . 4121 1 389 . 1 1 37 37 VAL CB C 13 32.10 0.1 . 1 . . . . . . . . 4121 1 390 . 1 1 37 37 VAL CG1 C 13 20.51 0.1 . 1 . . . . . . . . 4121 1 391 . 1 1 37 37 VAL CG2 C 13 23.01 0.1 . 1 . . . . . . . . 4121 1 392 . 1 1 37 37 VAL N N 15 124.69 0.1 . 1 . . . . . . . . 4121 1 393 . 1 1 38 38 GLU H H 1 7.444 0.01 . 1 . . . . . . . . 4121 1 394 . 1 1 38 38 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 4121 1 395 . 1 1 38 38 GLU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 4121 1 396 . 1 1 38 38 GLU HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4121 1 397 . 1 1 38 38 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 4121 1 398 . 1 1 38 38 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4121 1 399 . 1 1 38 38 GLU CA C 13 59.29 0.1 . 1 . . . . . . . . 4121 1 400 . 1 1 38 38 GLU CB C 13 29.37 0.1 . 1 . . . . . . . . 4121 1 401 . 1 1 38 38 GLU N N 15 120.44 0.1 . 1 . . . . . . . . 4121 1 402 . 1 1 39 39 MET H H 1 8.487 0.01 . 1 . . . . . . . . 4121 1 403 . 1 1 39 39 MET HA H 1 4.14 0.02 . 1 . . . . . . . . 4121 1 404 . 1 1 39 39 MET HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4121 1 405 . 1 1 39 39 MET HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4121 1 406 . 1 1 39 39 MET HG2 H 1 2.52 0.02 . 2 . . . . . . . . 4121 1 407 . 1 1 39 39 MET HG3 H 1 2.77 0.02 . 2 . . . . . . . . 4121 1 408 . 1 1 39 39 MET CA C 13 58.06 0.2 . 1 . . . . . . . . 4121 1 409 . 1 1 39 39 MET N N 15 114.47 0.1 . 1 . . . . . . . . 4121 1 410 . 1 1 40 40 THR H H 1 7.871 0.01 . 1 . . . . . . . . 4121 1 411 . 1 1 40 40 THR HA H 1 4.56 0.02 . 1 . . . . . . . . 4121 1 412 . 1 1 40 40 THR HB H 1 3.94 0.02 . 1 . . . . . . . . 4121 1 413 . 1 1 40 40 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4121 1 414 . 1 1 40 40 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4121 1 415 . 1 1 40 40 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4121 1 416 . 1 1 40 40 THR CA C 13 62.72 0.1 . 1 . . . . . . . . 4121 1 417 . 1 1 40 40 THR CB C 13 72.17 0.1 . 1 . . . . . . . . 4121 1 418 . 1 1 40 40 THR CG2 C 13 21.10 0.1 . 1 . . . . . . . . 4121 1 419 . 1 1 40 40 THR N N 15 124.78 0.1 . 1 . . . . . . . . 4121 1 420 . 1 1 41 41 GLY H H 1 8.409 0.01 . 1 . . . . . . . . 4121 1 421 . 1 1 41 41 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 4121 1 422 . 1 1 41 41 GLY HA3 H 1 4.09 0.02 . 2 . . . . . . . . 4121 1 423 . 1 1 41 41 GLY CA C 13 46.13 0.1 . 1 . . . . . . . . 4121 1 424 . 1 1 41 41 GLY N N 15 112.14 0.1 . 1 . . . . . . . . 4121 1 425 . 1 1 42 42 LEU H H 1 7.669 0.01 . 1 . . . . . . . . 4121 1 426 . 1 1 42 42 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 4121 1 427 . 1 1 42 42 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4121 1 428 . 1 1 42 42 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4121 1 429 . 1 1 42 42 LEU HG H 1 1.26 0.02 . 1 . . . . . . . . 4121 1 430 . 1 1 42 42 LEU HD11 H 1 0.59 0.02 . 2 . . . . . . . . 4121 1 431 . 1 1 42 42 LEU HD12 H 1 0.59 0.02 . 2 . . . . . . . . 4121 1 432 . 1 1 42 42 LEU HD13 H 1 0.59 0.02 . 2 . . . . . . . . 4121 1 433 . 1 1 42 42 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 4121 1 434 . 1 1 42 42 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 4121 1 435 . 1 1 42 42 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 4121 1 436 . 1 1 42 42 LEU CA C 13 53.26 0.1 . 1 . . . . . . . . 4121 1 437 . 1 1 42 42 LEU CB C 13 43.94 0.1 . 1 . . . . . . . . 4121 1 438 . 1 1 42 42 LEU CD1 C 13 25.87 0.1 . 1 . . . . . . . . 4121 1 439 . 1 1 42 42 LEU CD2 C 13 22.79 0.1 . 1 . . . . . . . . 4121 1 440 . 1 1 42 42 LEU N N 15 120.75 0.1 . 1 . . . . . . . . 4121 1 441 . 1 1 43 43 SER H H 1 8.100 0.01 . 1 . . . . . . . . 4121 1 442 . 1 1 43 43 SER HA H 1 4.65 0.02 . 1 . . . . . . . . 4121 1 443 . 1 1 43 43 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 4121 1 444 . 1 1 43 43 SER HB3 H 1 3.90 0.02 . 2 . . . . . . . . 4121 1 445 . 1 1 43 43 SER CA C 13 55.64 0.2 . 1 . . . . . . . . 4121 1 446 . 1 1 43 43 SER CB C 13 63.36 0.1 . 1 . . . . . . . . 4121 1 447 . 1 1 43 43 SER N N 15 114.05 0.1 . 1 . . . . . . . . 4121 1 448 . 1 1 44 44 PRO HA H 1 3.98 0.02 . 1 . . . . . . . . 4121 1 449 . 1 1 44 44 PRO HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4121 1 450 . 1 1 44 44 PRO HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4121 1 451 . 1 1 44 44 PRO HG2 H 1 2.06 0.02 . 2 . . . . . . . . 4121 1 452 . 1 1 44 44 PRO HG3 H 1 2.06 0.02 . 2 . . . . . . . . 4121 1 453 . 1 1 44 44 PRO HD2 H 1 3.94 0.02 . 2 . . . . . . . . 4121 1 454 . 1 1 44 44 PRO HD3 H 1 3.80 0.02 . 2 . . . . . . . . 4121 1 455 . 1 1 44 44 PRO CA C 13 65.54 0.1 . 1 . . . . . . . . 4121 1 456 . 1 1 44 44 PRO CB C 13 32.04 0.1 . 1 . . . . . . . . 4121 1 457 . 1 1 44 44 PRO CD C 13 50.32 0.1 . 1 . . . . . . . . 4121 1 458 . 1 1 45 45 ARG H H 1 8.159 0.01 . 1 . . . . . . . . 4121 1 459 . 1 1 45 45 ARG HA H 1 3.95 0.02 . 1 . . . . . . . . 4121 1 460 . 1 1 45 45 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4121 1 461 . 1 1 45 45 ARG HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4121 1 462 . 1 1 45 45 ARG HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4121 1 463 . 1 1 45 45 ARG HG3 H 1 1.57 0.02 . 2 . . . . . . . . 4121 1 464 . 1 1 45 45 ARG HD2 H 1 3.11 0.02 . 2 . . . . . . . . 4121 1 465 . 1 1 45 45 ARG HD3 H 1 3.11 0.02 . 2 . . . . . . . . 4121 1 466 . 1 1 45 45 ARG CA C 13 59.62 0.1 . 1 . . . . . . . . 4121 1 467 . 1 1 45 45 ARG CB C 13 30.39 0.1 . 1 . . . . . . . . 4121 1 468 . 1 1 45 45 ARG N N 15 117.39 0.1 . 1 . . . . . . . . 4121 1 469 . 1 1 46 46 VAL H H 1 7.493 0.01 . 1 . . . . . . . . 4121 1 470 . 1 1 46 46 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 4121 1 471 . 1 1 46 46 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 4121 1 472 . 1 1 46 46 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 4121 1 473 . 1 1 46 46 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 4121 1 474 . 1 1 46 46 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 4121 1 475 . 1 1 46 46 VAL HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4121 1 476 . 1 1 46 46 VAL HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4121 1 477 . 1 1 46 46 VAL HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4121 1 478 . 1 1 46 46 VAL CA C 13 66.52 0.1 . 1 . . . . . . . . 4121 1 479 . 1 1 46 46 VAL CB C 13 31.50 0.1 . 1 . . . . . . . . 4121 1 480 . 1 1 46 46 VAL CG1 C 13 22.05 0.1 . 1 . . . . . . . . 4121 1 481 . 1 1 46 46 VAL CG2 C 13 24.03 0.1 . 1 . . . . . . . . 4121 1 482 . 1 1 46 46 VAL N N 15 120.39 0.1 . 1 . . . . . . . . 4121 1 483 . 1 1 47 47 ILE H H 1 7.801 0.01 . 1 . . . . . . . . 4121 1 484 . 1 1 47 47 ILE HA H 1 3.59 0.02 . 1 . . . . . . . . 4121 1 485 . 1 1 47 47 ILE HB H 1 1.79 0.02 . 1 . . . . . . . . 4121 1 486 . 1 1 47 47 ILE HG12 H 1 1.57 0.02 . 2 . . . . . . . . 4121 1 487 . 1 1 47 47 ILE HG13 H 1 1.57 0.02 . 2 . . . . . . . . 4121 1 488 . 1 1 47 47 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 4121 1 489 . 1 1 47 47 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 4121 1 490 . 1 1 47 47 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 4121 1 491 . 1 1 47 47 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 4121 1 492 . 1 1 47 47 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 4121 1 493 . 1 1 47 47 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 4121 1 494 . 1 1 47 47 ILE CA C 13 65.54 0.1 . 1 . . . . . . . . 4121 1 495 . 1 1 47 47 ILE CB C 13 38.28 0.1 . 1 . . . . . . . . 4121 1 496 . 1 1 47 47 ILE CG2 C 13 18.15 0.1 . 1 . . . . . . . . 4121 1 497 . 1 1 47 47 ILE CD1 C 13 14.17 0.1 . 1 . . . . . . . . 4121 1 498 . 1 1 47 47 ILE N N 15 119.79 0.1 . 1 . . . . . . . . 4121 1 499 . 1 1 48 48 ARG H H 1 8.294 0.01 . 1 . . . . . . . . 4121 1 500 . 1 1 48 48 ARG HA H 1 4.11 0.02 . 1 . . . . . . . . 4121 1 501 . 1 1 48 48 ARG HB2 H 1 1.90 0.02 . 2 . . . . . . . . 4121 1 502 . 1 1 48 48 ARG HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4121 1 503 . 1 1 48 48 ARG HG2 H 1 1.52 0.02 . 2 . . . . . . . . 4121 1 504 . 1 1 48 48 ARG HG3 H 1 1.52 0.02 . 2 . . . . . . . . 4121 1 505 . 1 1 48 48 ARG HD2 H 1 3.12 0.02 . 2 . . . . . . . . 4121 1 506 . 1 1 48 48 ARG HD3 H 1 3.12 0.02 . 2 . . . . . . . . 4121 1 507 . 1 1 48 48 ARG CA C 13 60.18 0.1 . 1 . . . . . . . . 4121 1 508 . 1 1 48 48 ARG CB C 13 29.99 0.1 . 1 . . . . . . . . 4121 1 509 . 1 1 48 48 ARG N N 15 119.85 0.1 . 1 . . . . . . . . 4121 1 510 . 1 1 49 49 VAL H H 1 8.360 0.01 . 1 . . . . . . . . 4121 1 511 . 1 1 49 49 VAL HA H 1 3.65 0.02 . 1 . . . . . . . . 4121 1 512 . 1 1 49 49 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 4121 1 513 . 1 1 49 49 VAL HG11 H 1 0.90 0.02 . 1 . . . . . . . . 4121 1 514 . 1 1 49 49 VAL HG12 H 1 0.90 0.02 . 1 . . . . . . . . 4121 1 515 . 1 1 49 49 VAL HG13 H 1 0.90 0.02 . 1 . . . . . . . . 4121 1 516 . 1 1 49 49 VAL HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4121 1 517 . 1 1 49 49 VAL HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4121 1 518 . 1 1 49 49 VAL HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4121 1 519 . 1 1 49 49 VAL CA C 13 66.39 0.1 . 1 . . . . . . . . 4121 1 520 . 1 1 49 49 VAL CB C 13 32.06 0.1 . 1 . . . . . . . . 4121 1 521 . 1 1 49 49 VAL CG1 C 13 21.60 0.1 . 1 . . . . . . . . 4121 1 522 . 1 1 49 49 VAL CG2 C 13 23.43 0.1 . 1 . . . . . . . . 4121 1 523 . 1 1 49 49 VAL N N 15 120.23 0.1 . 1 . . . . . . . . 4121 1 524 . 1 1 50 50 TRP H H 1 8.453 0.01 . 1 . . . . . . . . 4121 1 525 . 1 1 50 50 TRP HA H 1 3.90 0.02 . 1 . . . . . . . . 4121 1 526 . 1 1 50 50 TRP HB2 H 1 3.44 0.02 . 2 . . . . . . . . 4121 1 527 . 1 1 50 50 TRP HB3 H 1 3.20 0.02 . 2 . . . . . . . . 4121 1 528 . 1 1 50 50 TRP HD1 H 1 7.04 0.02 . 1 . . . . . . . . 4121 1 529 . 1 1 50 50 TRP HE1 H 1 9.50 0.02 . 1 . . . . . . . . 4121 1 530 . 1 1 50 50 TRP HE3 H 1 6.52 0.02 . 1 . . . . . . . . 4121 1 531 . 1 1 50 50 TRP HZ2 H 1 7.04 0.02 . 1 . . . . . . . . 4121 1 532 . 1 1 50 50 TRP HZ3 H 1 5.65 0.02 . 1 . . . . . . . . 4121 1 533 . 1 1 50 50 TRP HH2 H 1 6.14 0.02 . 1 . . . . . . . . 4121 1 534 . 1 1 50 50 TRP CA C 13 63.44 0.1 . 1 . . . . . . . . 4121 1 535 . 1 1 50 50 TRP CB C 13 28.88 0.1 . 1 . . . . . . . . 4121 1 536 . 1 1 50 50 TRP N N 15 122.12 0.1 . 1 . . . . . . . . 4121 1 537 . 1 1 50 50 TRP NE1 N 15 128.58 0.1 . 1 . . . . . . . . 4121 1 538 . 1 1 51 51 PHE H H 1 8.602 0.01 . 1 . . . . . . . . 4121 1 539 . 1 1 51 51 PHE HA H 1 3.78 0.02 . 1 . . . . . . . . 4121 1 540 . 1 1 51 51 PHE HB2 H 1 3.32 0.02 . 2 . . . . . . . . 4121 1 541 . 1 1 51 51 PHE HB3 H 1 3.32 0.02 . 2 . . . . . . . . 4121 1 542 . 1 1 51 51 PHE HD1 H 1 7.94 0.02 . 3 . . . . . . . . 4121 1 543 . 1 1 51 51 PHE HD2 H 1 7.94 0.02 . 3 . . . . . . . . 4121 1 544 . 1 1 51 51 PHE HE1 H 1 7.41 0.02 . 3 . . . . . . . . 4121 1 545 . 1 1 51 51 PHE HE2 H 1 7.41 0.02 . 3 . . . . . . . . 4121 1 546 . 1 1 51 51 PHE HZ H 1 7.25 0.02 . 1 . . . . . . . . 4121 1 547 . 1 1 51 51 PHE CA C 13 63.39 0.1 . 1 . . . . . . . . 4121 1 548 . 1 1 51 51 PHE CB C 13 39.83 0.1 . 1 . . . . . . . . 4121 1 549 . 1 1 51 51 PHE N N 15 117.70 0.1 . 1 . . . . . . . . 4121 1 550 . 1 1 52 52 GLN H H 1 8.364 0.01 . 1 . . . . . . . . 4121 1 551 . 1 1 52 52 GLN HA H 1 3.91 0.02 . 1 . . . . . . . . 4121 1 552 . 1 1 52 52 GLN HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4121 1 553 . 1 1 52 52 GLN HB3 H 1 2.20 0.02 . 2 . . . . . . . . 4121 1 554 . 1 1 52 52 GLN HG2 H 1 2.39 0.02 . 2 . . . . . . . . 4121 1 555 . 1 1 52 52 GLN HG3 H 1 2.53 0.02 . 2 . . . . . . . . 4121 1 556 . 1 1 52 52 GLN HE21 H 1 7.774 0.01 . 2 . . . . . . . . 4121 1 557 . 1 1 52 52 GLN HE22 H 1 6.885 0.01 . 2 . . . . . . . . 4121 1 558 . 1 1 52 52 GLN CA C 13 59.49 0.1 . 1 . . . . . . . . 4121 1 559 . 1 1 52 52 GLN CB C 13 28.47 0.1 . 1 . . . . . . . . 4121 1 560 . 1 1 52 52 GLN N N 15 119.03 0.1 . 1 . . . . . . . . 4121 1 561 . 1 1 52 52 GLN NE2 N 15 112.50 0.1 . 1 . . . . . . . . 4121 1 562 . 1 1 53 53 ASN H H 1 8.666 0.01 . 1 . . . . . . . . 4121 1 563 . 1 1 53 53 ASN HA H 1 4.24 0.02 . 1 . . . . . . . . 4121 1 564 . 1 1 53 53 ASN HB2 H 1 2.44 0.02 . 2 . . . . . . . . 4121 1 565 . 1 1 53 53 ASN HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4121 1 566 . 1 1 53 53 ASN HD21 H 1 7.553 0.01 . 2 . . . . . . . . 4121 1 567 . 1 1 53 53 ASN HD22 H 1 6.908 0.01 . 2 . . . . . . . . 4121 1 568 . 1 1 53 53 ASN CA C 13 55.58 0.1 . 1 . . . . . . . . 4121 1 569 . 1 1 53 53 ASN CB C 13 37.74 0.1 . 1 . . . . . . . . 4121 1 570 . 1 1 53 53 ASN N N 15 118.69 0.1 . 1 . . . . . . . . 4121 1 571 . 1 1 53 53 ASN ND2 N 15 113.06 0.1 . 1 . . . . . . . . 4121 1 572 . 1 1 54 54 LYS H H 1 7.632 0.01 . 1 . . . . . . . . 4121 1 573 . 1 1 54 54 LYS HA H 1 3.41 0.02 . 1 . . . . . . . . 4121 1 574 . 1 1 54 54 LYS HB2 H 1 0.23 0.04 . 2 . . . . . . . . 4121 1 575 . 1 1 54 54 LYS HB3 H 1 0.87 0.02 . 2 . . . . . . . . 4121 1 576 . 1 1 54 54 LYS HG2 H 1 -0.05 0.02 . 2 . . . . . . . . 4121 1 577 . 1 1 54 54 LYS HG3 H 1 -0.29 0.02 . 2 . . . . . . . . 4121 1 578 . 1 1 54 54 LYS HD2 H 1 0.74 0.02 . 2 . . . . . . . . 4121 1 579 . 1 1 54 54 LYS HD3 H 1 0.28 0.02 . 2 . . . . . . . . 4121 1 580 . 1 1 54 54 LYS CA C 13 58.14 0.1 . 1 . . . . . . . . 4121 1 581 . 1 1 54 54 LYS CB C 13 31.17 0.1 . 1 . . . . . . . . 4121 1 582 . 1 1 54 54 LYS CG C 13 22.73 0.1 . 1 . . . . . . . . 4121 1 583 . 1 1 54 54 LYS CD C 13 27.69 0.1 . 1 . . . . . . . . 4121 1 584 . 1 1 54 54 LYS N N 15 122.87 0.1 . 1 . . . . . . . . 4121 1 585 . 1 1 55 55 ARG H H 1 8.179 0.01 . 1 . . . . . . . . 4121 1 586 . 1 1 55 55 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 4121 1 587 . 1 1 55 55 ARG HB2 H 1 1.74 0.02 . 2 . . . . . . . . 4121 1 588 . 1 1 55 55 ARG HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4121 1 589 . 1 1 55 55 ARG CA C 13 60.02 0.02 . 1 . . . . . . . . 4121 1 590 . 1 1 55 55 ARG CB C 13 31.42 0.02 . 1 . . . . . . . . 4121 1 591 . 1 1 55 55 ARG N N 15 117.31 0.1 . 1 . . . . . . . . 4121 1 592 . 1 1 56 56 CYS H H 1 7.795 0.01 . 1 . . . . . . . . 4121 1 593 . 1 1 56 56 CYS HA H 1 4.08 0.02 . 1 . . . . . . . . 4121 1 594 . 1 1 56 56 CYS HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4121 1 595 . 1 1 56 56 CYS HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4121 1 596 . 1 1 56 56 CYS CA C 13 62.10 0.1 . 1 . . . . . . . . 4121 1 597 . 1 1 56 56 CYS CB C 13 26.86 0.1 . 1 . . . . . . . . 4121 1 598 . 1 1 56 56 CYS N N 15 117.73 0.1 . 1 . . . . . . . . 4121 1 599 . 1 1 57 57 LYS H H 1 7.888 0.01 . 1 . . . . . . . . 4121 1 600 . 1 1 57 57 LYS HA H 1 3.95 0.02 . 1 . . . . . . . . 4121 1 601 . 1 1 57 57 LYS HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4121 1 602 . 1 1 57 57 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4121 1 603 . 1 1 57 57 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 4121 1 604 . 1 1 57 57 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 4121 1 605 . 1 1 57 57 LYS HD2 H 1 1.42 0.02 . 2 . . . . . . . . 4121 1 606 . 1 1 57 57 LYS HD3 H 1 1.42 0.02 . 2 . . . . . . . . 4121 1 607 . 1 1 57 57 LYS CA C 13 58.47 0.1 . 1 . . . . . . . . 4121 1 608 . 1 1 57 57 LYS CB C 13 32.36 0.1 . 1 . . . . . . . . 4121 1 609 . 1 1 57 57 LYS N N 15 121.10 0.1 . 1 . . . . . . . . 4121 1 610 . 1 1 58 58 ASP H H 1 8.077 0.01 . 1 . . . . . . . . 4121 1 611 . 1 1 58 58 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 4121 1 612 . 1 1 58 58 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 4121 1 613 . 1 1 58 58 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4121 1 614 . 1 1 58 58 ASP CA C 13 55.58 0.1 . 1 . . . . . . . . 4121 1 615 . 1 1 58 58 ASP CB C 13 40.44 0.1 . 1 . . . . . . . . 4121 1 616 . 1 1 58 58 ASP N N 15 119.93 0.1 . 1 . . . . . . . . 4121 1 617 . 1 1 59 59 LYS H H 1 7.912 0.01 . 1 . . . . . . . . 4121 1 618 . 1 1 59 59 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 4121 1 619 . 1 1 59 59 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4121 1 620 . 1 1 59 59 LYS HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4121 1 621 . 1 1 59 59 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 4121 1 622 . 1 1 59 59 LYS HG3 H 1 1.43 0.02 . 2 . . . . . . . . 4121 1 623 . 1 1 59 59 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 4121 1 624 . 1 1 59 59 LYS HD3 H 1 1.64 0.02 . 2 . . . . . . . . 4121 1 625 . 1 1 59 59 LYS CA C 13 57.4 0.2 . 5 . . . . . . . . 4121 1 626 . 1 1 59 59 LYS CB C 13 32.5 0.2 . 5 . . . . . . . . 4121 1 627 . 1 1 59 59 LYS N N 15 121.93 0.1 . 1 . . . . . . . . 4121 1 628 . 1 1 60 60 LYS H H 1 8.00 0.02 . 5 . . . . . . . . 4121 1 629 . 1 1 60 60 LYS HA H 1 4.12 0.02 . 2 . . . . . . . . 4121 1 630 . 1 1 60 60 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4121 1 631 . 1 1 60 60 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4121 1 632 . 1 1 60 60 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 4121 1 633 . 1 1 60 60 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4121 1 634 . 1 1 60 60 LYS HD2 H 1 1.59 0.02 . 2 . . . . . . . . 4121 1 635 . 1 1 60 60 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . 4121 1 636 . 1 1 60 60 LYS HE2 H 1 2.91 0.02 . 2 . . . . . . . . 4121 1 637 . 1 1 60 60 LYS HE3 H 1 2.91 0.02 . 2 . . . . . . . . 4121 1 638 . 1 1 60 60 LYS CA C 13 57.4 0.2 . 5 . . . . . . . . 4121 1 639 . 1 1 60 60 LYS CB C 13 32.5 0.2 . 5 . . . . . . . . 4121 1 640 . 1 1 60 60 LYS N N 15 120.45 0.1 . 5 . . . . . . . . 4121 1 641 . 1 1 61 61 ARG H H 1 8.01 0.01 . 1 . . . . . . . . 4121 1 642 . 1 1 61 61 ARG HA H 1 4.18 0.02 . 1 . . . . . . . . 4121 1 643 . 1 1 61 61 ARG HB2 H 1 1.79 0.02 . 2 . . . . . . . . 4121 1 644 . 1 1 61 61 ARG HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4121 1 645 . 1 1 61 61 ARG HG2 H 1 1.58 0.02 . 2 . . . . . . . . 4121 1 646 . 1 1 61 61 ARG HG3 H 1 1.58 0.02 . 2 . . . . . . . . 4121 1 647 . 1 1 61 61 ARG HD2 H 1 3.13 0.02 . 2 . . . . . . . . 4121 1 648 . 1 1 61 61 ARG HD3 H 1 3.13 0.02 . 2 . . . . . . . . 4121 1 649 . 1 1 61 61 ARG CA C 13 56.82 0.1 . 1 . . . . . . . . 4121 1 650 . 1 1 61 61 ARG CB C 13 30.75 0.1 . 1 . . . . . . . . 4121 1 651 . 1 1 61 61 ARG N N 15 120.45 0.1 . 5 . . . . . . . . 4121 1 652 . 1 1 62 62 SER H H 1 8.194 0.01 . 1 . . . . . . . . 4121 1 653 . 1 1 62 62 SER HA H 1 4.33 0.02 . 1 . . . . . . . . 4121 1 654 . 1 1 62 62 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 4121 1 655 . 1 1 62 62 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 4121 1 656 . 1 1 62 62 SER CA C 13 58.92 0.1 . 1 . . . . . . . . 4121 1 657 . 1 1 62 62 SER CB C 13 63.63 0.1 . 1 . . . . . . . . 4121 1 658 . 1 1 62 62 SER N N 15 116.49 0.1 . 1 . . . . . . . . 4121 1 659 . 1 1 63 63 ILE H H 1 8.003 0.01 . 1 . . . . . . . . 4121 1 660 . 1 1 63 63 ILE HA H 1 4.09 0.02 . 1 . . . . . . . . 4121 1 661 . 1 1 63 63 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 4121 1 662 . 1 1 63 63 ILE HG12 H 1 1.40 0.02 . 2 . . . . . . . . 4121 1 663 . 1 1 63 63 ILE HG13 H 1 1.14 0.02 . 2 . . . . . . . . 4121 1 664 . 1 1 63 63 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4121 1 665 . 1 1 63 63 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4121 1 666 . 1 1 63 63 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4121 1 667 . 1 1 63 63 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4121 1 668 . 1 1 63 63 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4121 1 669 . 1 1 63 63 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4121 1 670 . 1 1 63 63 ILE CA C 13 61.63 0.1 . 1 . . . . . . . . 4121 1 671 . 1 1 63 63 ILE CB C 13 38.60 0.1 . 1 . . . . . . . . 4121 1 672 . 1 1 63 63 ILE CG2 C 13 17.63 0.1 . 1 . . . . . . . . 4121 1 673 . 1 1 63 63 ILE CD1 C 13 13.25 0.1 . 1 . . . . . . . . 4121 1 674 . 1 1 63 63 ILE N N 15 121.84 0.1 . 1 . . . . . . . . 4121 1 675 . 1 1 64 64 MET H H 1 8.229 0.01 . 1 . . . . . . . . 4121 1 676 . 1 1 64 64 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 4121 1 677 . 1 1 64 64 MET HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4121 1 678 . 1 1 64 64 MET HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4121 1 679 . 1 1 64 64 MET HG2 H 1 2.49 0.02 . 2 . . . . . . . . 4121 1 680 . 1 1 64 64 MET HG3 H 1 2.49 0.02 . 2 . . . . . . . . 4121 1 681 . 1 1 64 64 MET CA C 13 55.44 0.1 . 1 . . . . . . . . 4121 1 682 . 1 1 64 64 MET CB C 13 38.60 0.1 . 1 . . . . . . . . 4121 1 683 . 1 1 64 64 MET N N 15 123.26 0.1 . 1 . . . . . . . . 4121 1 684 . 1 1 65 65 MET H H 1 8.274 0.01 . 1 . . . . . . . . 4121 1 685 . 1 1 65 65 MET HA H 1 4.40 0.02 . 1 . . . . . . . . 4121 1 686 . 1 1 65 65 MET HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4121 1 687 . 1 1 65 65 MET HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4121 1 688 . 1 1 65 65 MET HG2 H 1 2.49 0.02 . 2 . . . . . . . . 4121 1 689 . 1 1 65 65 MET HG3 H 1 2.49 0.02 . 2 . . . . . . . . 4121 1 690 . 1 1 65 65 MET CA C 13 55.40 0.1 . 1 . . . . . . . . 4121 1 691 . 1 1 65 65 MET CB C 13 32.73 0.1 . 1 . . . . . . . . 4121 1 692 . 1 1 65 65 MET N N 15 122.37 0.1 . 1 . . . . . . . . 4121 1 693 . 1 1 66 66 LYS H H 1 7.935 0.01 . 1 . . . . . . . . 4121 1 694 . 1 1 66 66 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 4121 1 695 . 1 1 66 66 LYS HB2 H 1 1.71 0.02 . 2 . . . . . . . . 4121 1 696 . 1 1 66 66 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4121 1 697 . 1 1 66 66 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 4121 1 698 . 1 1 66 66 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 4121 1 699 . 1 1 66 66 LYS HD2 H 1 1.64 0.02 . 2 . . . . . . . . 4121 1 700 . 1 1 66 66 LYS HD3 H 1 1.64 0.02 . 2 . . . . . . . . 4121 1 701 . 1 1 66 66 LYS HE2 H 1 2.91 0.02 . 2 . . . . . . . . 4121 1 702 . 1 1 66 66 LYS HE3 H 1 2.91 0.02 . 2 . . . . . . . . 4121 1 703 . 1 1 66 66 LYS CA C 13 55.52 0.1 . 1 . . . . . . . . 4121 1 704 . 1 1 66 66 LYS N N 15 127.95 0.1 . 1 . . . . . . . . 4121 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 4121 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_one _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details ; Quantitative coupling constants 3J(HNHalpha) (Hz) as measured by a 3D HNHA experiment on a [U-15N] labeled sample. Software used: UXNMR, XEASY Remarks: - For Gly41 the average value 3JHNHA for both HA2 and HA3 signals is given. - Lys60 and Arg61 have near-identical HN and N resonance frequencies, 3JHNHA of Lys60 and Arg61 are therefore indistinguishable from one another. The average value for both residues is listed instead. - 3JHNHA of residues 1 and 2 are not given, because of missing amide proton signals in the proton dimension of the 3D HNHA spectrum. - 3JHNHA of residue 47 is not given, because of overlap on the diagonal with the signal of an impurity. - The minimum threshold value of 3JHNHA is estimated 2.2 Hz in absence of measurable intensity at the HN-Halpha cross peak position. ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 2 $sample_two . 4121 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 THR H H 1 . . 1 1 3 3 THR HA H 1 . 6.14 . . 0.5 . . . . . . . . . . . 4121 1 2 3JHNHA . 1 1 4 4 THR H H 1 . . 1 1 4 4 THR HA H 1 . 6.85 . . 0.5 . . . . . . . . . . . 4121 1 3 3JHNHA . 1 1 5 5 ARG H H 1 . . 1 1 5 5 ARG HA H 1 . 5.65 . . 0.5 . . . . . . . . . . . 4121 1 4 3JHNHA . 1 1 6 6 VAL H H 1 . . 1 1 6 6 VAL HA H 1 . 7.03 . . 0.5 . . . . . . . . . . . 4121 1 5 3JHNHA . 1 1 7 7 ARG H H 1 . . 1 1 7 7 ARG HA H 1 . 7.02 . . 0.5 . . . . . . . . . . . 4121 1 6 3JHNHA . 1 1 8 8 THR H H 1 . . 1 1 8 8 THR HA H 1 . 5.74 . . 0.5 . . . . . . . . . . . 4121 1 7 3JHNHA . 1 1 9 9 VAL H H 1 . . 1 1 9 9 VAL HA H 1 . 7.88 . . 0.5 . . . . . . . . . . . 4121 1 8 3JHNHA . 1 1 10 10 LEU H H 1 . . 1 1 10 10 LEU HA H 1 . 7.05 . . 0.5 . . . . . . . . . . . 4121 1 9 3JHNHA . 1 1 11 11 ASN H H 1 . . 1 1 11 11 ASN HA H 1 . 8.70 . . 0.5 . . . . . . . . . . . 4121 1 10 3JHNHA . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU HA H 1 . 2.27 . . 0.5 . . . . . . . . . . . 4121 1 11 3JHNHA . 1 1 13 13 LYS H H 1 . . 1 1 13 13 LYS HA H 1 . 5.36 . . 0.5 . . . . . . . . . . . 4121 1 12 3JHNHA . 1 1 14 14 GLN H H 1 . . 1 1 14 14 GLN HA H 1 . 3.70 . . 0.5 . . . . . . . . . . . 4121 1 13 3JHNHA . 1 1 15 15 LEU H H 1 . . 1 1 15 15 LEU HA H 1 . 3.38 . . 0.5 . . . . . . . . . . . 4121 1 14 3JHNHA . 1 1 16 16 HIS H H 1 . . 1 1 16 16 HIS HA H 1 . 3.04 . . 0.5 . . . . . . . . . . . 4121 1 15 3JHNHA . 1 1 17 17 THR H H 1 . . 1 1 17 17 THR HA H 1 . 3.91 . . 0.5 . . . . . . . . . . . 4121 1 16 3JHNHA . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU HA H 1 . 2.2 . . 0.5 . . . . . . . . . . . 4121 1 17 3JHNHA . 1 1 19 19 ARG H H 1 . . 1 1 19 19 ARG HA H 1 . 2.52 . . 0.5 . . . . . . . . . . . 4121 1 18 3JHNHA . 1 1 20 20 THR H H 1 . . 1 1 20 20 THR HA H 1 . 5.26 . . 0.5 . . . . . . . . . . . 4121 1 19 3JHNHA . 1 1 21 21 CYS H H 1 . . 1 1 21 21 CYS HA H 1 . 3.95 . . 0.5 . . . . . . . . . . . 4121 1 20 3JHNHA . 1 1 22 22 TYR H H 1 . . 1 1 22 22 TYR HA H 1 . 2.2 . . 0.5 . . . . . . . . . . . 4121 1 21 3JHNHA . 1 1 23 23 ALA H H 1 . . 1 1 23 23 ALA HA H 1 . 3.3 . . 0.5 . . . . . . . . . . . 4121 1 22 3JHNHA . 1 1 24 24 ALA H H 1 . . 1 1 24 24 ALA HA H 1 . 8.44 . . 0.5 . . . . . . . . . . . 4121 1 23 3JHNHA . 1 1 25 25 ASN H H 1 . . 1 1 25 25 ASN HA H 1 . 6.68 . . 0.5 . . . . . . . . . . . 4121 1 24 3JHNHA . 1 1 27 27 ARG H H 1 . . 1 1 27 27 ARG HA H 1 . 7.56 . . 0.5 . . . . . . . . . . . 4121 1 25 3JHNHA . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP HA H 1 . 6.41 . . 0.5 . . . . . . . . . . . 4121 1 26 3JHNHA . 1 1 30 30 ALA H H 1 . . 1 1 30 30 ALA HA H 1 . 2.2 . . 0.5 . . . . . . . . . . . 4121 1 27 3JHNHA . 1 1 31 31 LEU H H 1 . . 1 1 31 31 LEU HA H 1 . 4.94 . . 0.5 . . . . . . . . . . . 4121 1 28 3JHNHA . 1 1 32 32 MET H H 1 . . 1 1 32 32 MET HA H 1 . 4.4 . . 0.5 . . . . . . . . . . . 4121 1 29 3JHNHA . 1 1 33 33 LYS H H 1 . . 1 1 33 33 LYS HA H 1 . 2.77 . . 0.5 . . . . . . . . . . . 4121 1 30 3JHNHA . 1 1 34 34 GLU H H 1 . . 1 1 34 34 GLU HA H 1 . 4.52 . . 0.5 . . . . . . . . . . . 4121 1 31 3JHNHA . 1 1 35 35 GLN H H 1 . . 1 1 35 35 GLN HA H 1 . 3.83 . . 0.5 . . . . . . . . . . . 4121 1 32 3JHNHA . 1 1 36 36 LEU H H 1 . . 1 1 36 36 LEU HA H 1 . 2.2 . . 0.5 . . . . . . . . . . . 4121 1 33 3JHNHA . 1 1 37 37 VAL H H 1 . . 1 1 37 37 VAL HA H 1 . 3.34 . . 0.5 . . . . . . . . . . . 4121 1 34 3JHNHA . 1 1 38 38 GLU H H 1 . . 1 1 38 38 GLU HA H 1 . 3.25 . . 0.5 . . . . . . . . . . . 4121 1 35 3JHNHA . 1 1 39 39 MET H H 1 . . 1 1 39 39 MET HA H 1 . 4.48 . . 0.5 . . . . . . . . . . . 4121 1 36 3JHNHA . 1 1 40 40 THR H H 1 . . 1 1 40 40 THR HA H 1 . 8.40 . . 0.5 . . . . . . . . . . . 4121 1 37 3JHNHA . 1 1 41 41 GLY H H 1 . . 1 1 41 41 GLY HA* H 1 . 5.15 . . 0.5 . . . . . . . . . . . 4121 1 38 3JHNHA . 1 1 42 42 LEU H H 1 . . 1 1 42 42 LEU HA H 1 . 6.71 . . 0.5 . . . . . . . . . . . 4121 1 39 3JHNHA . 1 1 43 43 SER H H 1 . . 1 1 43 43 SER HA H 1 . 4.58 . . 0.5 . . . . . . . . . . . 4121 1 40 3JHNHA . 1 1 45 45 ARG H H 1 . . 1 1 45 45 ARG HA H 1 . 2.55 . . 0.5 . . . . . . . . . . . 4121 1 41 3JHNHA . 1 1 46 46 VAL H H 1 . . 1 1 46 46 VAL HA H 1 . 4.20 . . 0.5 . . . . . . . . . . . 4121 1 42 3JHNHA . 1 1 48 48 ARG H H 1 . . 1 1 48 48 ARG HA H 1 . 2.59 . . 0.5 . . . . . . . . . . . 4121 1 43 3JHNHA . 1 1 49 49 VAL H H 1 . . 1 1 49 49 VAL HA H 1 . 3.83 . . 0.5 . . . . . . . . . . . 4121 1 44 3JHNHA . 1 1 50 50 TRP H H 1 . . 1 1 50 50 TRP HA H 1 . 3.50 . . 0.5 . . . . . . . . . . . 4121 1 45 3JHNHA . 1 1 51 51 PHE H H 1 . . 1 1 51 51 PHE HA H 1 . 2.75 . . 0.5 . . . . . . . . . . . 4121 1 46 3JHNHA . 1 1 52 52 GLN H H 1 . . 1 1 52 52 GLN HA H 1 . 2.2 . . 0.5 . . . . . . . . . . . 4121 1 47 3JHNHA . 1 1 53 53 ASN H H 1 . . 1 1 53 53 ASN HA H 1 . 2.2 . . 0.5 . . . . . . . . . . . 4121 1 48 3JHNHA . 1 1 54 54 LYS H H 1 . . 1 1 54 54 LYS HA H 1 . 2.49 . . 0.5 . . . . . . . . . . . 4121 1 49 3JHNHA . 1 1 55 55 ARG H H 1 . . 1 1 55 55 ARG HA H 1 . 2.81 . . 0.5 . . . . . . . . . . . 4121 1 50 3JHNHA . 1 1 56 56 CYS H H 1 . . 1 1 56 56 CYS HA H 1 . 3.52 . . 0.5 . . . . . . . . . . . 4121 1 51 3JHNHA . 1 1 57 57 LYS H H 1 . . 1 1 57 57 LYS HA H 1 . 4.64 . . 0.5 . . . . . . . . . . . 4121 1 52 3JHNHA . 1 1 58 58 ASP H H 1 . . 1 1 58 58 ASP HA H 1 . 4.37 . . 0.5 . . . . . . . . . . . 4121 1 53 3JHNHA . 1 1 59 59 LYS H H 1 . . 1 1 59 59 LYS HA H 1 . 4.74 . . 0.5 . . . . . . . . . . . 4121 1 54 3JHNHA . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS HA H 1 . 5.90 . . 0.5 . . . . . . . . . . . 4121 1 55 3JHNHA . 1 1 61 61 ARG H H 1 . . 1 1 61 61 ARG HA H 1 . 5.90 . . 0.5 . . . . . . . . . . . 4121 1 56 3JHNHA . 1 1 62 62 SER H H 1 . . 1 1 62 62 SER HA H 1 . 6.23 . . 0.5 . . . . . . . . . . . 4121 1 57 3JHNHA . 1 1 63 63 ILE H H 1 . . 1 1 63 63 ILE HA H 1 . 7.01 . . 0.5 . . . . . . . . . . . 4121 1 58 3JHNHA . 1 1 64 64 MET H H 1 . . 1 1 64 64 MET HA H 1 . 7.10 . . 0.5 . . . . . . . . . . . 4121 1 59 3JHNHA . 1 1 65 65 MET H H 1 . . 1 1 65 65 MET HA H 1 . 6.67 . . 0.5 . . . . . . . . . . . 4121 1 60 3JHNHA . 1 1 66 66 LYS H H 1 . . 1 1 66 66 LYS HA H 1 . 7.73 . . 0.5 . . . . . . . . . . . 4121 1 stop_ save_