data_19358 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19358 _Entry.Title ; Backbone 1H, 13C, 15N chemical shift assignments for the Val66 prodomain region of BDNF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-10 _Entry.Accession_date 2013-07-10 _Entry.Last_release_date 2014-02-10 _Entry.Original_release_date 2014-02-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Clay Bracken . . . 19358 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19358 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 19358 '15N chemical shifts' 85 19358 '1H chemical shifts' 85 19358 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 . . 2014-02-10 2013-07-10 original author . 19358 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19357 'Met66 prodomain region of BDNF' 19358 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19358 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24048383 _Citation.Full_citation . _Citation.Title 'Val66Met polymorphism of BDNF alters prodomain structure to induce neuronal growth cone retraction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 4 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2490 _Citation.Page_last 2490 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Agustin Anastasia . . . 19358 1 2 Katrin Deinhardt . . . 19358 1 3 Moses Chao . V. . 19358 1 4 Nathan Will . E. . 19358 1 5 Krithi Irmady . . . 19358 1 6 Francis Lee . S. . 19358 1 7 Barbara Hempstead . L. . 19358 1 8 Clay Bracken . . . 19358 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BDNF 19358 1 V66M 19358 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19358 _Assembly.ID 1 _Assembly.Name 'Val66 BDNF Prodomain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 10000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Val66 BDNF Prodomain' 1 $bdnf_prodomain_Val66 A . yes 'intrinsically disordered' no no . . . 19358 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bdnf_prodomain_Val66 _Entity.Sf_category entity _Entity.Sf_framecode bdnf_prodomain_Val66 _Entity.Entry_ID 19358 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bdnf_prodomain_Val66 _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 ; MEANIRGQGGLAYPGVRTHG TLESVNGPKAGSRGLTSLAD TFEHVIEELLDEDQKVRPNE ENNKDADLYTSRVMLSSQVP LEPPLLFLLEEY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence numbering is in accordance with the full length pre-pro-BDNF sequence.' _Entity.Polymer_author_seq_details 'The first residue (MET 22) is non-native.' _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10169.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19357 . bdnf_prodomain_met66 . . . . . 100.00 92 98.91 100.00 2.35e-58 . . . . 19358 1 2 no DBJ BAF82452 . "unnamed protein product [Homo sapiens]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 3 no DBJ BAF82542 . "unnamed protein product [Homo sapiens]" . . . . . 98.91 255 100.00 100.00 1.22e-57 . . . . 19358 1 4 no DBJ BAG73983 . "brain-derived neurotrophic factor [synthetic construct]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 5 no EMBL CAA42761 . "brain-derived neurotrophic factor [Homo sapiens]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 6 no EMBL CAA62632 . "BDNF [Homo sapiens]" . . . . . 98.91 247 98.90 98.90 7.09e-57 . . . . 19358 1 7 no GB AAA51820 . "brain-derived neurotrophic factor [Homo sapiens]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 8 no GB AAA69805 . "brain-derived neurotrophic factor precursor [Homo sapiens]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 9 no GB AAA96140 . "brain-derived neurotrophic factor [Homo sapiens]" . . . . . 98.91 247 98.90 100.00 3.19e-57 . . . . 19358 1 10 no GB AAB71654 . "brain-derived neurotrophic factor [Procyon lotor]" . . . . . 98.91 247 97.80 98.90 1.33e-56 . . . . 19358 1 11 no GB AAD10844 . "brain derived neurotrophic factor [Ailuropoda melanoleuca]" . . . . . 98.91 247 97.80 98.90 1.33e-56 . . . . 19358 1 12 no REF NP_001012443 . "brain-derived neurotrophic factor precursor [Pan troglodytes]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 13 no REF NP_001137277 . "brain-derived neurotrophic factor isoform a preproprotein [Homo sapiens]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 14 no REF NP_001137278 . "brain-derived neurotrophic factor isoform a preproprotein [Homo sapiens]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 15 no REF NP_001137279 . "brain-derived neurotrophic factor isoform a preproprotein [Homo sapiens]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 16 no REF NP_001137280 . "brain-derived neurotrophic factor isoform a preproprotein [Homo sapiens]" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 17 no SP O18755 . "RecName: Full=Brain-derived neurotrophic factor; Short=BDNF; Flags: Precursor" . . . . . 98.91 247 97.80 98.90 1.33e-56 . . . . 19358 1 18 no SP P23560 . "RecName: Full=Brain-derived neurotrophic factor; Short=BDNF; AltName: Full=Abrineurin; Flags: Precursor" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 19 no SP Q4L0Y3 . "RecName: Full=Brain-derived neurotrophic factor; Short=BDNF; Flags: Precursor" . . . . . 98.91 247 97.80 98.90 1.33e-56 . . . . 19358 1 20 no SP Q5IS78 . "RecName: Full=Brain-derived neurotrophic factor; Short=BDNF; Flags: Precursor" . . . . . 98.91 247 100.00 100.00 1.03e-57 . . . . 19358 1 21 no SP Q6LCI5 . "RecName: Full=Brain-derived neurotrophic factor; Short=BDNF; Flags: Precursor" . . . . . 98.91 247 97.80 98.90 1.33e-56 . . . . 19358 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 22 MET . 19358 1 2 23 GLU . 19358 1 3 24 ALA . 19358 1 4 25 ASN . 19358 1 5 26 ILE . 19358 1 6 27 ARG . 19358 1 7 28 GLY . 19358 1 8 29 GLN . 19358 1 9 30 GLY . 19358 1 10 31 GLY . 19358 1 11 32 LEU . 19358 1 12 33 ALA . 19358 1 13 34 TYR . 19358 1 14 35 PRO . 19358 1 15 36 GLY . 19358 1 16 37 VAL . 19358 1 17 38 ARG . 19358 1 18 39 THR . 19358 1 19 40 HIS . 19358 1 20 41 GLY . 19358 1 21 42 THR . 19358 1 22 43 LEU . 19358 1 23 44 GLU . 19358 1 24 45 SER . 19358 1 25 46 VAL . 19358 1 26 47 ASN . 19358 1 27 48 GLY . 19358 1 28 49 PRO . 19358 1 29 50 LYS . 19358 1 30 51 ALA . 19358 1 31 52 GLY . 19358 1 32 53 SER . 19358 1 33 54 ARG . 19358 1 34 55 GLY . 19358 1 35 56 LEU . 19358 1 36 57 THR . 19358 1 37 58 SER . 19358 1 38 59 LEU . 19358 1 39 60 ALA . 19358 1 40 61 ASP . 19358 1 41 62 THR . 19358 1 42 63 PHE . 19358 1 43 64 GLU . 19358 1 44 65 HIS . 19358 1 45 66 VAL . 19358 1 46 67 ILE . 19358 1 47 68 GLU . 19358 1 48 69 GLU . 19358 1 49 70 LEU . 19358 1 50 71 LEU . 19358 1 51 72 ASP . 19358 1 52 73 GLU . 19358 1 53 74 ASP . 19358 1 54 75 GLN . 19358 1 55 76 LYS . 19358 1 56 77 VAL . 19358 1 57 78 ARG . 19358 1 58 79 PRO . 19358 1 59 80 ASN . 19358 1 60 81 GLU . 19358 1 61 82 GLU . 19358 1 62 83 ASN . 19358 1 63 84 ASN . 19358 1 64 85 LYS . 19358 1 65 86 ASP . 19358 1 66 87 ALA . 19358 1 67 88 ASP . 19358 1 68 89 LEU . 19358 1 69 90 TYR . 19358 1 70 91 THR . 19358 1 71 92 SER . 19358 1 72 93 ARG . 19358 1 73 94 VAL . 19358 1 74 95 MET . 19358 1 75 96 LEU . 19358 1 76 97 SER . 19358 1 77 98 SER . 19358 1 78 99 GLN . 19358 1 79 100 VAL . 19358 1 80 101 PRO . 19358 1 81 102 LEU . 19358 1 82 103 GLU . 19358 1 83 104 PRO . 19358 1 84 105 PRO . 19358 1 85 106 LEU . 19358 1 86 107 LEU . 19358 1 87 108 PHE . 19358 1 88 109 LEU . 19358 1 89 110 LEU . 19358 1 90 111 GLU . 19358 1 91 112 GLU . 19358 1 92 113 TYR . 19358 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 19358 1 . GLU 2 2 19358 1 . ALA 3 3 19358 1 . ASN 4 4 19358 1 . ILE 5 5 19358 1 . ARG 6 6 19358 1 . GLY 7 7 19358 1 . GLN 8 8 19358 1 . GLY 9 9 19358 1 . GLY 10 10 19358 1 . LEU 11 11 19358 1 . ALA 12 12 19358 1 . TYR 13 13 19358 1 . PRO 14 14 19358 1 . GLY 15 15 19358 1 . VAL 16 16 19358 1 . ARG 17 17 19358 1 . THR 18 18 19358 1 . HIS 19 19 19358 1 . GLY 20 20 19358 1 . THR 21 21 19358 1 . LEU 22 22 19358 1 . GLU 23 23 19358 1 . SER 24 24 19358 1 . VAL 25 25 19358 1 . ASN 26 26 19358 1 . GLY 27 27 19358 1 . PRO 28 28 19358 1 . LYS 29 29 19358 1 . ALA 30 30 19358 1 . GLY 31 31 19358 1 . SER 32 32 19358 1 . ARG 33 33 19358 1 . GLY 34 34 19358 1 . LEU 35 35 19358 1 . THR 36 36 19358 1 . SER 37 37 19358 1 . LEU 38 38 19358 1 . ALA 39 39 19358 1 . ASP 40 40 19358 1 . THR 41 41 19358 1 . PHE 42 42 19358 1 . GLU 43 43 19358 1 . HIS 44 44 19358 1 . VAL 45 45 19358 1 . ILE 46 46 19358 1 . GLU 47 47 19358 1 . GLU 48 48 19358 1 . LEU 49 49 19358 1 . LEU 50 50 19358 1 . ASP 51 51 19358 1 . GLU 52 52 19358 1 . ASP 53 53 19358 1 . GLN 54 54 19358 1 . LYS 55 55 19358 1 . VAL 56 56 19358 1 . ARG 57 57 19358 1 . PRO 58 58 19358 1 . ASN 59 59 19358 1 . GLU 60 60 19358 1 . GLU 61 61 19358 1 . ASN 62 62 19358 1 . ASN 63 63 19358 1 . LYS 64 64 19358 1 . ASP 65 65 19358 1 . ALA 66 66 19358 1 . ASP 67 67 19358 1 . LEU 68 68 19358 1 . TYR 69 69 19358 1 . THR 70 70 19358 1 . SER 71 71 19358 1 . ARG 72 72 19358 1 . VAL 73 73 19358 1 . MET 74 74 19358 1 . LEU 75 75 19358 1 . SER 76 76 19358 1 . SER 77 77 19358 1 . GLN 78 78 19358 1 . VAL 79 79 19358 1 . PRO 80 80 19358 1 . LEU 81 81 19358 1 . GLU 82 82 19358 1 . PRO 83 83 19358 1 . PRO 84 84 19358 1 . LEU 85 85 19358 1 . LEU 86 86 19358 1 . PHE 87 87 19358 1 . LEU 88 88 19358 1 . LEU 89 89 19358 1 . GLU 90 90 19358 1 . GLU 91 91 19358 1 . TYR 92 92 19358 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 19358 _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 $bdnf_prodomain_Val66 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19358 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 19358 _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 $bdnf_prodomain_Val66 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 19358 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19358 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'bdnf prodomain' '[U-95% 13C; U-95% 15N]' . . 1 $bdnf_prodomain_Val66 . . 0.1-0.5 . . mM . . . . 19358 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19358 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19358 1 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 19358 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19358 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19358 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 19358 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 19358 1 pH 6.8 . pH 19358 1 pressure 1 . atm 19358 1 temperature 273 . K 19358 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19358 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19358 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19358 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19358 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19358 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19358 2 'peak picking' 19358 2 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 19358 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19358 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'equipped with cold probe' . . 19358 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 19358 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19358 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19358 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19358 1 4 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19358 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19358 1 6 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19358 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19358 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19358 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'backbone chemical shift assignments for Val66 prodomain isoform of BDNF' 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 na indirect 0.251449530 . . . . . none . . . 19358 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . none . . . 19358 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . none . . . 19358 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 19358 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19358 1 2 '3D CBCA(CO)NH' 1 $sample_1 . 19358 1 3 '3D HNCO' 1 $sample_1 . 19358 1 4 '3D HNCA' 1 $sample_1 . 19358 1 6 '3D HN(CO)CA' 1 $sample_1 . 19358 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 1 1 MET C C 13 176.300 . . . . . . . 22 MET CO . 19358 1 2 . 1 1 1 1 MET CA C 13 55.820 . . . . . . . 22 MET CA . 19358 1 3 . 1 1 1 1 MET CB C 13 32.620 . . . . . . . 22 MET CB . 19358 1 4 . 1 1 2 2 GLU H H 1 8.679 . . . . . . . 23 GLU HN . 19358 1 5 . 1 1 2 2 GLU C C 13 176.400 . . . . . . . 23 GLU CO . 19358 1 6 . 1 1 2 2 GLU CA C 13 57.030 . . . . . . . 23 GLU CA . 19358 1 7 . 1 1 2 2 GLU CB C 13 30.040 . . . . . . . 23 GLU CB . 19358 1 8 . 1 1 2 2 GLU N N 15 122.700 . . . . . . . 23 GLU N . 19358 1 9 . 1 1 3 3 ALA H H 1 8.426 . . . . . . . 24 ALA HN . 19358 1 10 . 1 1 3 3 ALA C C 13 177.300 . . . . . . . 24 ALA CO . 19358 1 11 . 1 1 3 3 ALA CA C 13 52.730 . . . . . . . 24 ALA CA . 19358 1 12 . 1 1 3 3 ALA CB C 13 19.230 . . . . . . . 24 ALA CB . 19358 1 13 . 1 1 3 3 ALA N N 15 124.800 . . . . . . . 24 ALA N . 19358 1 14 . 1 1 4 4 ASN H H 1 8.454 . . . . . . . 25 ASN HN . 19358 1 15 . 1 1 4 4 ASN C C 13 175.500 . . . . . . . 25 ASN CO . 19358 1 16 . 1 1 4 4 ASN CA C 13 53.320 . . . . . . . 25 ASN CA . 19358 1 17 . 1 1 4 4 ASN CB C 13 38.670 . . . . . . . 25 ASN CB . 19358 1 18 . 1 1 4 4 ASN N N 15 118.000 . . . . . . . 25 ASN N . 19358 1 19 . 1 1 5 5 ILE H H 1 8.155 . . . . . . . 26 ILE HN . 19358 1 20 . 1 1 5 5 ILE C C 13 176.600 . . . . . . . 26 ILE CO . 19358 1 21 . 1 1 5 5 ILE CA C 13 61.500 . . . . . . . 26 ILE CA . 19358 1 22 . 1 1 5 5 ILE CB C 13 38.650 . . . . . . . 26 ILE CB . 19358 1 23 . 1 1 5 5 ILE N N 15 121.300 . . . . . . . 26 ILE N . 19358 1 24 . 1 1 6 6 ARG H H 1 8.480 . . . . . . . 27 ARG HN . 19358 1 25 . 1 1 6 6 ARG C C 13 177.100 . . . . . . . 27 ARG CO . 19358 1 26 . 1 1 6 6 ARG CA C 13 56.530 . . . . . . . 27 ARG CA . 19358 1 27 . 1 1 6 6 ARG CB C 13 30.570 . . . . . . . 27 ARG CB . 19358 1 28 . 1 1 6 6 ARG N N 15 124.700 . . . . . . . 27 ARG N . 19358 1 29 . 1 1 7 7 GLY H H 1 8.458 . . . . . . . 28 GLY HN . 19358 1 30 . 1 1 7 7 GLY C C 13 174.400 . . . . . . . 28 GLY CO . 19358 1 31 . 1 1 7 7 GLY CA C 13 45.320 . . . . . . . 28 GLY CA . 19358 1 32 . 1 1 7 7 GLY N N 15 110.100 . . . . . . . 28 GLY N . 19358 1 33 . 1 1 8 8 GLN H H 1 8.381 . . . . . . . 29 GLN HN . 19358 1 34 . 1 1 8 8 GLN C C 13 176.800 . . . . . . . 29 GLN CO . 19358 1 35 . 1 1 8 8 GLN CA C 13 55.990 . . . . . . . 29 GLN CA . 19358 1 36 . 1 1 8 8 GLN CB C 13 29.360 . . . . . . . 29 GLN CB . 19358 1 37 . 1 1 8 8 GLN N N 15 119.900 . . . . . . . 29 GLN N . 19358 1 38 . 1 1 9 9 GLY H H 1 8.641 . . . . . . . 30 GLY HN . 19358 1 39 . 1 1 9 9 GLY C C 13 174.800 . . . . . . . 30 GLY CO . 19358 1 40 . 1 1 9 9 GLY CA C 13 45.480 . . . . . . . 30 GLY CA . 19358 1 41 . 1 1 9 9 GLY N N 15 110.400 . . . . . . . 30 GLY N . 19358 1 42 . 1 1 10 10 GLY H H 1 8.361 . . . . . . . 31 GLY HN . 19358 1 43 . 1 1 10 10 GLY C C 13 174.100 . . . . . . . 31 GLY CO . 19358 1 44 . 1 1 10 10 GLY CA C 13 45.220 . . . . . . . 31 GLY CA . 19358 1 45 . 1 1 10 10 GLY N N 15 108.800 . . . . . . . 31 GLY N . 19358 1 46 . 1 1 11 11 LEU H H 1 8.115 . . . . . . . 32 LEU HN . 19358 1 47 . 1 1 11 11 LEU C C 13 177.000 . . . . . . . 32 LEU CO . 19358 1 48 . 1 1 11 11 LEU CA C 13 54.970 . . . . . . . 32 LEU CA . 19358 1 49 . 1 1 11 11 LEU CB C 13 42.500 . . . . . . . 32 LEU CB . 19358 1 50 . 1 1 11 11 LEU N N 15 121.600 . . . . . . . 32 LEU N . 19358 1 51 . 1 1 12 12 ALA H H 1 8.282 . . . . . . . 33 ALA HN . 19358 1 52 . 1 1 12 12 ALA C C 13 177.000 . . . . . . . 33 ALA CO . 19358 1 53 . 1 1 12 12 ALA CA C 13 52.210 . . . . . . . 33 ALA CA . 19358 1 54 . 1 1 12 12 ALA CB C 13 19.290 . . . . . . . 33 ALA CB . 19358 1 55 . 1 1 12 12 ALA N N 15 124.500 . . . . . . . 33 ALA N . 19358 1 56 . 1 1 13 13 TYR H H 1 8.178 . . . . . . . 34 TYR HN . 19358 1 57 . 1 1 13 13 TYR C C 13 174.200 . . . . . . . 34 TYR CO . 19358 1 58 . 1 1 13 13 TYR CA C 13 55.630 . . . . . . . 34 TYR CA . 19358 1 59 . 1 1 13 13 TYR CB C 13 38.200 . . . . . . . 34 TYR CB . 19358 1 60 . 1 1 13 13 TYR N N 15 120.600 . . . . . . . 34 TYR N . 19358 1 61 . 1 1 14 14 PRO C C 13 177.400 . . . . . . . 35 PRO CO . 19358 1 62 . 1 1 14 14 PRO CA C 13 63.490 . . . . . . . 35 PRO CA . 19358 1 63 . 1 1 14 14 PRO CB C 13 31.990 . . . . . . . 35 PRO CB . 19358 1 64 . 1 1 15 15 GLY H H 1 8.106 . . . . . . . 36 GLY HN . 19358 1 65 . 1 1 15 15 GLY C C 13 173.900 . . . . . . . 36 GLY CO . 19358 1 66 . 1 1 15 15 GLY CA C 13 45.130 . . . . . . . 36 GLY CA . 19358 1 67 . 1 1 15 15 GLY N N 15 109.000 . . . . . . . 36 GLY N . 19358 1 68 . 1 1 16 16 VAL H H 1 8.072 . . . . . . . 37 VAL HN . 19358 1 69 . 1 1 16 16 VAL C C 13 176.300 . . . . . . . 37 VAL CO . 19358 1 70 . 1 1 16 16 VAL CA C 13 62.340 . . . . . . . 37 VAL CA . 19358 1 71 . 1 1 16 16 VAL CB C 13 32.800 . . . . . . . 37 VAL CB . 19358 1 72 . 1 1 16 16 VAL N N 15 119.800 . . . . . . . 37 VAL N . 19358 1 73 . 1 1 17 17 ARG H H 1 8.621 . . . . . . . 38 ARG HN . 19358 1 74 . 1 1 17 17 ARG C C 13 176.500 . . . . . . . 38 ARG CO . 19358 1 75 . 1 1 17 17 ARG CA C 13 55.940 . . . . . . . 38 ARG CA . 19358 1 76 . 1 1 17 17 ARG CB C 13 30.860 . . . . . . . 38 ARG CB . 19358 1 77 . 1 1 17 17 ARG N N 15 125.600 . . . . . . . 38 ARG N . 19358 1 78 . 1 1 18 18 THR H H 1 8.325 . . . . . . . 39 THR HN . 19358 1 79 . 1 1 18 18 THR C C 13 174.400 . . . . . . . 39 THR CO . 19358 1 80 . 1 1 18 18 THR CA C 13 61.740 . . . . . . . 39 THR CA . 19358 1 81 . 1 1 18 18 THR N N 15 116.000 . . . . . . . 39 THR N . 19358 1 82 . 1 1 19 19 HIS H H 1 8.572 . . . . . . . 40 HIS HN . 19358 1 83 . 1 1 19 19 HIS C C 13 175.600 . . . . . . . 40 HIS CO . 19358 1 84 . 1 1 19 19 HIS CA C 13 56.070 . . . . . . . 40 HIS CA . 19358 1 85 . 1 1 19 19 HIS CB C 13 30.240 . . . . . . . 40 HIS CB . 19358 1 86 . 1 1 19 19 HIS N N 15 121.500 . . . . . . . 40 HIS N . 19358 1 87 . 1 1 20 20 GLY H H 1 8.600 . . . . . . . 41 GLY HN . 19358 1 88 . 1 1 20 20 GLY C C 13 174.300 . . . . . . . 41 GLY CO . 19358 1 89 . 1 1 20 20 GLY CA C 13 45.230 . . . . . . . 41 GLY CA . 19358 1 90 . 1 1 20 20 GLY N N 15 110.600 . . . . . . . 41 GLY N . 19358 1 91 . 1 1 21 21 THR H H 1 8.231 . . . . . . . 42 THR HN . 19358 1 92 . 1 1 21 21 THR C C 13 174.800 . . . . . . . 42 THR CO . 19358 1 93 . 1 1 21 21 THR CA C 13 61.950 . . . . . . . 42 THR CA . 19358 1 94 . 1 1 21 21 THR CB C 13 69.980 . . . . . . . 42 THR CB . 19358 1 95 . 1 1 21 21 THR N N 15 114.300 . . . . . . . 42 THR N . 19358 1 96 . 1 1 22 22 LEU H H 1 8.514 . . . . . . . 43 LEU HN . 19358 1 97 . 1 1 22 22 LEU C C 13 177.500 . . . . . . . 43 LEU CO . 19358 1 98 . 1 1 22 22 LEU CA C 13 55.400 . . . . . . . 43 LEU CA . 19358 1 99 . 1 1 22 22 LEU CB C 13 42.240 . . . . . . . 43 LEU CB . 19358 1 100 . 1 1 22 22 LEU N N 15 124.800 . . . . . . . 43 LEU N . 19358 1 101 . 1 1 23 23 GLU H H 1 8.502 . . . . . . . 44 GLU HN . 19358 1 102 . 1 1 23 23 GLU C C 13 176.700 . . . . . . . 44 GLU CO . 19358 1 103 . 1 1 23 23 GLU CA C 13 56.800 . . . . . . . 44 GLU CA . 19358 1 104 . 1 1 23 23 GLU CB C 13 30.300 . . . . . . . 44 GLU CB . 19358 1 105 . 1 1 23 23 GLU N N 15 121.900 . . . . . . . 44 GLU N . 19358 1 106 . 1 1 24 24 SER H H 1 8.410 . . . . . . . 45 SER HN . 19358 1 107 . 1 1 24 24 SER C C 13 175.000 . . . . . . . 45 SER CO . 19358 1 108 . 1 1 24 24 SER CA C 13 58.310 . . . . . . . 45 SER CA . 19358 1 109 . 1 1 24 24 SER CB C 13 63.710 . . . . . . . 45 SER CB . 19358 1 110 . 1 1 24 24 SER N N 15 117.000 . . . . . . . 45 SER N . 19358 1 111 . 1 1 25 25 VAL H H 1 8.260 . . . . . . . 46 VAL HN . 19358 1 112 . 1 1 25 25 VAL C C 13 176.100 . . . . . . . 46 VAL CO . 19358 1 113 . 1 1 25 25 VAL CA C 13 62.720 . . . . . . . 46 VAL CA . 19358 1 114 . 1 1 25 25 VAL CB C 13 32.000 . . . . . . . 46 VAL CB . 19358 1 115 . 1 1 25 25 VAL N N 15 121.800 . . . . . . . 46 VAL N . 19358 1 116 . 1 1 26 26 ASN H H 1 8.516 . . . . . . . 47 ASN HN . 19358 1 117 . 1 1 26 26 ASN C C 13 175.300 . . . . . . . 47 ASN CO . 19358 1 118 . 1 1 26 26 ASN CA C 13 53.220 . . . . . . . 47 ASN CA . 19358 1 119 . 1 1 26 26 ASN CB C 13 39.210 . . . . . . . 47 ASN CB . 19358 1 120 . 1 1 26 26 ASN N N 15 121.200 . . . . . . . 47 ASN N . 19358 1 121 . 1 1 27 27 GLY H H 1 8.169 . . . . . . . 48 GLY HN . 19358 1 122 . 1 1 27 27 GLY CA C 13 44.750 . . . . . . . 48 GLY CA . 19358 1 123 . 1 1 27 27 GLY N N 15 109.400 . . . . . . . 48 GLY N . 19358 1 124 . 1 1 28 28 PRO C C 13 177.400 . . . . . . . 49 PRO CO . 19358 1 125 . 1 1 28 28 PRO CA C 13 63.170 . . . . . . . 49 PRO CA . 19358 1 126 . 1 1 28 28 PRO CB C 13 32.110 . . . . . . . 49 PRO CB . 19358 1 127 . 1 1 29 29 LYS H H 1 8.580 . . . . . . . 50 LYS HN . 19358 1 128 . 1 1 29 29 LYS C C 13 176.700 . . . . . . . 50 LYS CO . 19358 1 129 . 1 1 29 29 LYS CA C 13 56.090 . . . . . . . 50 LYS CA . 19358 1 130 . 1 1 29 29 LYS CB C 13 32.970 . . . . . . . 50 LYS CB . 19358 1 131 . 1 1 29 29 LYS N N 15 121.800 . . . . . . . 50 LYS N . 19358 1 132 . 1 1 30 30 ALA H H 1 8.477 . . . . . . . 51 ALA HN . 19358 1 133 . 1 1 30 30 ALA C C 13 178.400 . . . . . . . 51 ALA CO . 19358 1 134 . 1 1 30 30 ALA CA C 13 52.880 . . . . . . . 51 ALA CA . 19358 1 135 . 1 1 30 30 ALA CB C 13 19.220 . . . . . . . 51 ALA CB . 19358 1 136 . 1 1 30 30 ALA N N 15 125.700 . . . . . . . 51 ALA N . 19358 1 137 . 1 1 31 31 GLY H H 1 8.538 . . . . . . . 52 GLY HN . 19358 1 138 . 1 1 31 31 GLY C C 13 174.500 . . . . . . . 52 GLY CO . 19358 1 139 . 1 1 31 31 GLY CA C 13 45.260 . . . . . . . 52 GLY CA . 19358 1 140 . 1 1 31 31 GLY N N 15 108.800 . . . . . . . 52 GLY N . 19358 1 141 . 1 1 32 32 SER H H 1 8.308 . . . . . . . 53 SER HN . 19358 1 142 . 1 1 32 32 SER C C 13 174.900 . . . . . . . 53 SER CO . 19358 1 143 . 1 1 32 32 SER CA C 13 58.560 . . . . . . . 53 SER CA . 19358 1 144 . 1 1 32 32 SER CB C 13 63.720 . . . . . . . 53 SER CB . 19358 1 145 . 1 1 32 32 SER N N 15 115.900 . . . . . . . 53 SER N . 19358 1 146 . 1 1 33 33 ARG H H 1 8.582 . . . . . . . 54 ARG HN . 19358 1 147 . 1 1 33 33 ARG C C 13 176.900 . . . . . . . 54 ARG CO . 19358 1 148 . 1 1 33 33 ARG CA C 13 56.450 . . . . . . . 54 ARG CA . 19358 1 149 . 1 1 33 33 ARG CB C 13 30.610 . . . . . . . 54 ARG CB . 19358 1 150 . 1 1 33 33 ARG N N 15 123.000 . . . . . . . 54 ARG N . 19358 1 151 . 1 1 34 34 GLY H H 1 8.475 . . . . . . . 55 GLY HN . 19358 1 152 . 1 1 34 34 GLY C C 13 174.200 . . . . . . . 55 GLY CO . 19358 1 153 . 1 1 34 34 GLY CA C 13 45.250 . . . . . . . 55 GLY CA . 19358 1 154 . 1 1 34 34 GLY N N 15 109.700 . . . . . . . 55 GLY N . 19358 1 155 . 1 1 35 35 LEU H H 1 8.274 . . . . . . . 56 LEU HN . 19358 1 156 . 1 1 35 35 LEU C C 13 178.000 . . . . . . . 56 LEU CO . 19358 1 157 . 1 1 35 35 LEU CA C 13 55.380 . . . . . . . 56 LEU CA . 19358 1 158 . 1 1 35 35 LEU CB C 13 42.420 . . . . . . . 56 LEU CB . 19358 1 159 . 1 1 35 35 LEU N N 15 121.700 . . . . . . . 56 LEU N . 19358 1 160 . 1 1 36 36 THR H H 1 8.278 . . . . . . . 57 THR HN . 19358 1 161 . 1 1 36 36 THR C C 13 174.600 . . . . . . . 57 THR CO . 19358 1 162 . 1 1 36 36 THR CA C 13 61.880 . . . . . . . 57 THR CA . 19358 1 163 . 1 1 36 36 THR CB C 13 69.940 . . . . . . . 57 THR CB . 19358 1 164 . 1 1 36 36 THR N N 15 114.700 . . . . . . . 57 THR N . 19358 1 165 . 1 1 37 37 SER H H 1 8.424 . . . . . . . 58 SER HN . 19358 1 166 . 1 1 37 37 SER C C 13 174.700 . . . . . . . 58 SER CO . 19358 1 167 . 1 1 37 37 SER CA C 13 58.130 . . . . . . . 58 SER CA . 19358 1 168 . 1 1 37 37 SER CB C 13 63.800 . . . . . . . 58 SER CB . 19358 1 169 . 1 1 37 37 SER N N 15 118.400 . . . . . . . 58 SER N . 19358 1 170 . 1 1 38 38 LEU H H 1 8.414 . . . . . . . 59 LEU HN . 19358 1 171 . 1 1 38 38 LEU C C 13 177.400 . . . . . . . 59 LEU CO . 19358 1 172 . 1 1 38 38 LEU CA C 13 55.420 . . . . . . . 59 LEU CA . 19358 1 173 . 1 1 38 38 LEU CB C 13 42.190 . . . . . . . 59 LEU CB . 19358 1 174 . 1 1 38 38 LEU N N 15 124.500 . . . . . . . 59 LEU N . 19358 1 175 . 1 1 39 39 ALA H H 1 8.279 . . . . . . . 60 ALA HN . 19358 1 176 . 1 1 39 39 ALA C C 13 177.700 . . . . . . . 60 ALA CO . 19358 1 177 . 1 1 39 39 ALA CA C 13 52.730 . . . . . . . 60 ALA CA . 19358 1 178 . 1 1 39 39 ALA CB C 13 19.230 . . . . . . . 60 ALA CB . 19358 1 179 . 1 1 39 39 ALA N N 15 124.000 . . . . . . . 60 ALA N . 19358 1 180 . 1 1 40 40 ASP H H 1 8.264 . . . . . . . 61 ASP HN . 19358 1 181 . 1 1 40 40 ASP C C 13 176.500 . . . . . . . 61 ASP CO . 19358 1 182 . 1 1 40 40 ASP CA C 13 54.540 . . . . . . . 61 ASP CA . 19358 1 183 . 1 1 40 40 ASP CB C 13 41.140 . . . . . . . 61 ASP CB . 19358 1 184 . 1 1 40 40 ASP N N 15 119.400 . . . . . . . 61 ASP N . 19358 1 185 . 1 1 41 41 THR H H 1 7.996 . . . . . . . 62 THR HN . 19358 1 186 . 1 1 41 41 THR C C 13 174.400 . . . . . . . 62 THR CO . 19358 1 187 . 1 1 41 41 THR CA C 13 61.810 . . . . . . . 62 THR CA . 19358 1 188 . 1 1 41 41 THR CB C 13 69.840 . . . . . . . 62 THR CB . 19358 1 189 . 1 1 41 41 THR N N 15 113.400 . . . . . . . 62 THR N . 19358 1 190 . 1 1 42 42 PHE H H 1 8.223 . . . . . . . 63 PHE HN . 19358 1 191 . 1 1 42 42 PHE C C 13 175.600 . . . . . . . 63 PHE CO . 19358 1 192 . 1 1 42 42 PHE CA C 13 57.700 . . . . . . . 63 PHE CA . 19358 1 193 . 1 1 42 42 PHE CB C 13 39.500 . . . . . . . 63 PHE CB . 19358 1 194 . 1 1 42 42 PHE N N 15 121.900 . . . . . . . 63 PHE N . 19358 1 195 . 1 1 43 43 GLU H H 1 8.346 . . . . . . . 64 GLU HN . 19358 1 196 . 1 1 43 43 GLU C C 13 175.900 . . . . . . . 64 GLU CO . 19358 1 197 . 1 1 43 43 GLU CA C 13 56.420 . . . . . . . 64 GLU CA . 19358 1 198 . 1 1 43 43 GLU CB C 13 30.330 . . . . . . . 64 GLU CB . 19358 1 199 . 1 1 43 43 GLU N N 15 122.200 . . . . . . . 64 GLU N . 19358 1 200 . 1 1 44 44 HIS H H 1 8.485 . . . . . . . 65 HIS HN . 19358 1 201 . 1 1 44 44 HIS C C 13 174.500 . . . . . . . 65 HIS CO . 19358 1 202 . 1 1 44 44 HIS CA C 13 55.450 . . . . . . . 65 HIS CA . 19358 1 203 . 1 1 44 44 HIS CB C 13 29.750 . . . . . . . 65 HIS CB . 19358 1 204 . 1 1 44 44 HIS N N 15 120.700 . . . . . . . 65 HIS N . 19358 1 205 . 1 1 45 45 VAL H H 1 8.330 . . . . . . . 66 VAL HN . 19358 1 206 . 1 1 45 45 VAL C C 13 176.000 . . . . . . . 66 VAL CO . 19358 1 207 . 1 1 45 45 VAL CA C 13 62.470 . . . . . . . 66 VAL CA . 19358 1 208 . 1 1 45 45 VAL CB C 13 32.750 . . . . . . . 66 VAL CB . 19358 1 209 . 1 1 45 45 VAL N N 15 123.300 . . . . . . . 66 VAL N . 19358 1 210 . 1 1 46 46 ILE H H 1 8.414 . . . . . . . 67 ILE HN . 19358 1 211 . 1 1 46 46 ILE C C 13 176.200 . . . . . . . 67 ILE CO . 19358 1 212 . 1 1 46 46 ILE CA C 13 61.070 . . . . . . . 67 ILE CA . 19358 1 213 . 1 1 46 46 ILE CB C 13 38.410 . . . . . . . 67 ILE CB . 19358 1 214 . 1 1 46 46 ILE N N 15 126.000 . . . . . . . 67 ILE N . 19358 1 215 . 1 1 47 47 GLU H H 1 8.585 . . . . . . . 68 GLU HN . 19358 1 216 . 1 1 47 47 GLU C C 13 176.200 . . . . . . . 68 GLU CO . 19358 1 217 . 1 1 47 47 GLU CA C 13 56.620 . . . . . . . 68 GLU CA . 19358 1 218 . 1 1 47 47 GLU CB C 13 30.430 . . . . . . . 68 GLU CB . 19358 1 219 . 1 1 47 47 GLU N N 15 126.200 . . . . . . . 68 GLU N . 19358 1 220 . 1 1 48 48 GLU H H 1 8.527 . . . . . . . 69 GLU HN . 19358 1 221 . 1 1 48 48 GLU C C 13 176.100 . . . . . . . 69 GLU CO . 19358 1 222 . 1 1 48 48 GLU CA C 13 56.300 . . . . . . . 69 GLU CA . 19358 1 223 . 1 1 48 48 GLU CB C 13 30.130 . . . . . . . 69 GLU CB . 19358 1 224 . 1 1 48 48 GLU N N 15 122.900 . . . . . . . 69 GLU N . 19358 1 225 . 1 1 49 49 LEU H H 1 8.433 . . . . . . . 70 LEU HN . 19358 1 226 . 1 1 49 49 LEU C C 13 177.100 . . . . . . . 70 LEU CO . 19358 1 227 . 1 1 49 49 LEU CA C 13 54.870 . . . . . . . 70 LEU CA . 19358 1 228 . 1 1 49 49 LEU CB C 13 42.180 . . . . . . . 70 LEU CB . 19358 1 229 . 1 1 49 49 LEU N N 15 124.200 . . . . . . . 70 LEU N . 19358 1 230 . 1 1 50 50 LEU H H 1 8.381 . . . . . . . 71 LEU HN . 19358 1 231 . 1 1 50 50 LEU C C 13 177.200 . . . . . . . 71 LEU CO . 19358 1 232 . 1 1 50 50 LEU CA C 13 54.930 . . . . . . . 71 LEU CA . 19358 1 233 . 1 1 50 50 LEU CB C 13 42.720 . . . . . . . 71 LEU CB . 19358 1 234 . 1 1 50 50 LEU N N 15 124.000 . . . . . . . 71 LEU N . 19358 1 235 . 1 1 51 51 ASP H H 1 8.464 . . . . . . . 72 ASP HN . 19358 1 236 . 1 1 51 51 ASP C C 13 176.800 . . . . . . . 72 ASP CO . 19358 1 237 . 1 1 51 51 ASP CA C 13 54.280 . . . . . . . 72 ASP CA . 19358 1 238 . 1 1 51 51 ASP CB C 13 41.170 . . . . . . . 72 ASP CB . 19358 1 239 . 1 1 51 51 ASP N N 15 121.900 . . . . . . . 72 ASP N . 19358 1 240 . 1 1 52 52 GLU H H 1 8.586 . . . . . . . 73 GLU HN . 19358 1 241 . 1 1 52 52 GLU C C 13 176.900 . . . . . . . 73 GLU CO . 19358 1 242 . 1 1 52 52 GLU CA C 13 57.350 . . . . . . . 73 GLU CA . 19358 1 243 . 1 1 52 52 GLU CB C 13 30.130 . . . . . . . 73 GLU CB . 19358 1 244 . 1 1 52 52 GLU N N 15 121.500 . . . . . . . 73 GLU N . 19358 1 245 . 1 1 53 53 ASP H H 1 8.452 . . . . . . . 74 ASP HN . 19358 1 246 . 1 1 53 53 ASP C C 13 176.600 . . . . . . . 74 ASP CO . 19358 1 247 . 1 1 53 53 ASP CA C 13 54.860 . . . . . . . 74 ASP CA . 19358 1 248 . 1 1 53 53 ASP CB C 13 40.910 . . . . . . . 74 ASP CB . 19358 1 249 . 1 1 53 53 ASP N N 15 120.300 . . . . . . . 74 ASP N . 19358 1 250 . 1 1 54 54 GLN H H 1 8.215 . . . . . . . 75 GLN HN . 19358 1 251 . 1 1 54 54 GLN C C 13 176.100 . . . . . . . 75 GLN CO . 19358 1 252 . 1 1 54 54 GLN CA C 13 55.970 . . . . . . . 75 GLN CA . 19358 1 253 . 1 1 54 54 GLN CB C 13 29.050 . . . . . . . 75 GLN CB . 19358 1 254 . 1 1 54 54 GLN N N 15 119.700 . . . . . . . 75 GLN N . 19358 1 255 . 1 1 55 55 LYS H H 1 8.193 . . . . . . . 76 LYS HN . 19358 1 256 . 1 1 55 55 LYS C C 13 176.700 . . . . . . . 76 LYS CO . 19358 1 257 . 1 1 55 55 LYS CA C 13 56.530 . . . . . . . 76 LYS CA . 19358 1 258 . 1 1 55 55 LYS CB C 13 32.940 . . . . . . . 76 LYS CB . 19358 1 259 . 1 1 55 55 LYS N N 15 121.700 . . . . . . . 76 LYS N . 19358 1 260 . 1 1 56 56 VAL H H 1 8.185 . . . . . . . 77 VAL HN . 19358 1 261 . 1 1 56 56 VAL C C 13 176.000 . . . . . . . 77 VAL CO . 19358 1 262 . 1 1 56 56 VAL CA C 13 62.300 . . . . . . . 77 VAL CA . 19358 1 263 . 1 1 56 56 VAL CB C 13 32.620 . . . . . . . 77 VAL CB . 19358 1 264 . 1 1 56 56 VAL N N 15 121.400 . . . . . . . 77 VAL N . 19358 1 265 . 1 1 57 57 ARG H H 1 8.587 . . . . . . . 78 ARG HN . 19358 1 266 . 1 1 57 57 ARG C C 13 174.200 . . . . . . . 78 ARG CO . 19358 1 267 . 1 1 57 57 ARG CA C 13 53.850 . . . . . . . 78 ARG CA . 19358 1 268 . 1 1 57 57 ARG CB C 13 30.110 . . . . . . . 78 ARG CB . 19358 1 269 . 1 1 57 57 ARG N N 15 127.100 . . . . . . . 78 ARG N . 19358 1 270 . 1 1 58 58 PRO C C 13 176.800 . . . . . . . 79 PRO CO . 19358 1 271 . 1 1 58 58 PRO CA C 13 63.140 . . . . . . . 79 PRO CA . 19358 1 272 . 1 1 58 58 PRO CB C 13 32.270 . . . . . . . 79 PRO CB . 19358 1 273 . 1 1 59 59 ASN H H 1 8.684 . . . . . . . 80 ASN HN . 19358 1 274 . 1 1 59 59 ASN C C 13 175.500 . . . . . . . 80 ASN CO . 19358 1 275 . 1 1 59 59 ASN CA C 13 53.580 . . . . . . . 80 ASN CA . 19358 1 276 . 1 1 59 59 ASN CB C 13 38.700 . . . . . . . 80 ASN CB . 19358 1 277 . 1 1 59 59 ASN N N 15 119.100 . . . . . . . 80 ASN N . 19358 1 278 . 1 1 60 60 GLU H H 1 8.519 . . . . . . . 81 GLU HN . 19358 1 279 . 1 1 60 60 GLU C C 13 176.300 . . . . . . . 81 GLU CO . 19358 1 280 . 1 1 60 60 GLU CA C 13 56.750 . . . . . . . 81 GLU CA . 19358 1 281 . 1 1 60 60 GLU CB C 13 30.260 . . . . . . . 81 GLU CB . 19358 1 282 . 1 1 60 60 GLU N N 15 121.500 . . . . . . . 81 GLU N . 19358 1 283 . 1 1 61 61 GLU H H 1 8.498 . . . . . . . 82 GLU HN . 19358 1 284 . 1 1 61 61 GLU C C 13 176.500 . . . . . . . 82 GLU CO . 19358 1 285 . 1 1 61 61 GLU CA C 13 56.870 . . . . . . . 82 GLU CA . 19358 1 286 . 1 1 61 61 GLU CB C 13 30.130 . . . . . . . 82 GLU CB . 19358 1 287 . 1 1 61 61 GLU N N 15 121.500 . . . . . . . 82 GLU N . 19358 1 288 . 1 1 62 62 ASN H H 1 8.504 . . . . . . . 83 ASN HN . 19358 1 289 . 1 1 62 62 ASN C C 13 175.000 . . . . . . . 83 ASN CO . 19358 1 290 . 1 1 62 62 ASN CA C 13 53.270 . . . . . . . 83 ASN CA . 19358 1 291 . 1 1 62 62 ASN CB C 13 38.830 . . . . . . . 83 ASN CB . 19358 1 292 . 1 1 62 62 ASN N N 15 119.300 . . . . . . . 83 ASN N . 19358 1 293 . 1 1 63 63 ASN H H 1 8.458 . . . . . . . 84 ASN HN . 19358 1 294 . 1 1 63 63 ASN C C 13 175.600 . . . . . . . 84 ASN CO . 19358 1 295 . 1 1 63 63 ASN CA C 13 53.330 . . . . . . . 84 ASN CA . 19358 1 296 . 1 1 63 63 ASN CB C 13 38.760 . . . . . . . 84 ASN CB . 19358 1 297 . 1 1 63 63 ASN N N 15 119.600 . . . . . . . 84 ASN N . 19358 1 298 . 1 1 64 64 LYS H H 1 8.404 . . . . . . . 85 LYS HN . 19358 1 299 . 1 1 64 64 LYS C C 13 176.700 . . . . . . . 85 LYS CO . 19358 1 300 . 1 1 64 64 LYS CA C 13 56.640 . . . . . . . 85 LYS CA . 19358 1 301 . 1 1 64 64 LYS CB C 13 32.640 . . . . . . . 85 LYS CB . 19358 1 302 . 1 1 64 64 LYS N N 15 122.100 . . . . . . . 85 LYS N . 19358 1 303 . 1 1 65 65 ASP H H 1 8.391 . . . . . . . 86 ASP HN . 19358 1 304 . 1 1 65 65 ASP C C 13 176.500 . . . . . . . 86 ASP CO . 19358 1 305 . 1 1 65 65 ASP CA C 13 54.730 . . . . . . . 86 ASP CA . 19358 1 306 . 1 1 65 65 ASP CB C 13 40.940 . . . . . . . 86 ASP CB . 19358 1 307 . 1 1 65 65 ASP N N 15 121.000 . . . . . . . 86 ASP N . 19358 1 308 . 1 1 66 66 ALA H H 1 8.168 . . . . . . . 87 ALA HN . 19358 1 309 . 1 1 66 66 ALA C C 13 178.000 . . . . . . . 87 ALA CO . 19358 1 310 . 1 1 66 66 ALA CA C 13 53.140 . . . . . . . 87 ALA CA . 19358 1 311 . 1 1 66 66 ALA CB C 13 19.170 . . . . . . . 87 ALA CB . 19358 1 312 . 1 1 66 66 ALA N N 15 123.900 . . . . . . . 87 ALA N . 19358 1 313 . 1 1 67 67 ASP H H 1 8.346 . . . . . . . 88 ASP HN . 19358 1 314 . 1 1 67 67 ASP C C 13 176.600 . . . . . . . 88 ASP CO . 19358 1 315 . 1 1 67 67 ASP CA C 13 54.590 . . . . . . . 88 ASP CA . 19358 1 316 . 1 1 67 67 ASP CB C 13 40.940 . . . . . . . 88 ASP CB . 19358 1 317 . 1 1 67 67 ASP N N 15 118.900 . . . . . . . 88 ASP N . 19358 1 318 . 1 1 68 68 LEU H H 1 8.015 . . . . . . . 89 LEU HN . 19358 1 319 . 1 1 68 68 LEU C C 13 177.800 . . . . . . . 89 LEU CO . 19358 1 320 . 1 1 68 68 LEU CA C 13 55.890 . . . . . . . 89 LEU CA . 19358 1 321 . 1 1 68 68 LEU CB C 13 42.150 . . . . . . . 89 LEU CB . 19358 1 322 . 1 1 68 68 LEU N N 15 121.700 . . . . . . . 89 LEU N . 19358 1 323 . 1 1 69 69 TYR H H 1 8.192 . . . . . . . 90 TYR HN . 19358 1 324 . 1 1 69 69 TYR C C 13 176.500 . . . . . . . 90 TYR CO . 19358 1 325 . 1 1 69 69 TYR CA C 13 58.410 . . . . . . . 90 TYR CA . 19358 1 326 . 1 1 69 69 TYR CB C 13 38.510 . . . . . . . 90 TYR CB . 19358 1 327 . 1 1 69 69 TYR N N 15 119.700 . . . . . . . 90 TYR N . 19358 1 328 . 1 1 70 70 THR H H 1 7.973 . . . . . . . 91 THR HN . 19358 1 329 . 1 1 70 70 THR C C 13 174.800 . . . . . . . 91 THR CO . 19358 1 330 . 1 1 70 70 THR CA C 13 62.330 . . . . . . . 91 THR CA . 19358 1 331 . 1 1 70 70 THR CB C 13 69.670 . . . . . . . 91 THR CB . 19358 1 332 . 1 1 70 70 THR N N 15 115.300 . . . . . . . 91 THR N . 19358 1 333 . 1 1 71 71 SER H H 1 8.296 . . . . . . . 92 SER HN . 19358 1 334 . 1 1 71 71 SER C C 13 174.700 . . . . . . . 92 SER CO . 19358 1 335 . 1 1 71 71 SER CA C 13 58.580 . . . . . . . 92 SER CA . 19358 1 336 . 1 1 71 71 SER CB C 13 63.570 . . . . . . . 92 SER CB . 19358 1 337 . 1 1 71 71 SER N N 15 118.000 . . . . . . . 92 SER N . 19358 1 338 . 1 1 72 72 ARG H H 1 8.301 . . . . . . . 93 ARG HN . 19358 1 339 . 1 1 72 72 ARG C C 13 176.600 . . . . . . . 93 ARG CO . 19358 1 340 . 1 1 72 72 ARG CA C 13 56.220 . . . . . . . 93 ARG CA . 19358 1 341 . 1 1 72 72 ARG CB C 13 32.830 . . . . . . . 93 ARG CB . 19358 1 342 . 1 1 72 72 ARG N N 15 123.200 . . . . . . . 93 ARG N . 19358 1 343 . 1 1 73 73 VAL H H 1 8.162 . . . . . . . 94 VAL HN . 19358 1 344 . 1 1 73 73 VAL C C 13 176.400 . . . . . . . 94 VAL CO . 19358 1 345 . 1 1 73 73 VAL CA C 13 62.260 . . . . . . . 94 VAL CA . 19358 1 346 . 1 1 73 73 VAL CB C 13 32.770 . . . . . . . 94 VAL CB . 19358 1 347 . 1 1 73 73 VAL N N 15 121.500 . . . . . . . 94 VAL N . 19358 1 348 . 1 1 74 74 MET H H 1 8.484 . . . . . . . 95 MET HN . 19358 1 349 . 1 1 74 74 MET C C 13 176.400 . . . . . . . 95 MET CO . 19358 1 350 . 1 1 74 74 MET CA C 13 55.280 . . . . . . . 95 MET CA . 19358 1 351 . 1 1 74 74 MET CB C 13 32.600 . . . . . . . 95 MET CB . 19358 1 352 . 1 1 74 74 MET N N 15 124.500 . . . . . . . 95 MET N . 19358 1 353 . 1 1 75 75 LEU H H 1 8.390 . . . . . . . 96 LEU HN . 19358 1 354 . 1 1 75 75 LEU C C 13 177.800 . . . . . . . 96 LEU CO . 19358 1 355 . 1 1 75 75 LEU CA C 13 55.340 . . . . . . . 96 LEU CA . 19358 1 356 . 1 1 75 75 LEU CB C 13 42.330 . . . . . . . 96 LEU CB . 19358 1 357 . 1 1 75 75 LEU N N 15 124.000 . . . . . . . 96 LEU N . 19358 1 358 . 1 1 76 76 SER H H 1 8.413 . . . . . . . 97 SER HN . 19358 1 359 . 1 1 76 76 SER C C 13 174.800 . . . . . . . 97 SER CO . 19358 1 360 . 1 1 76 76 SER CA C 13 58.560 . . . . . . . 97 SER CA . 19358 1 361 . 1 1 76 76 SER CB C 13 63.600 . . . . . . . 97 SER CB . 19358 1 362 . 1 1 76 76 SER N N 15 116.500 . . . . . . . 97 SER N . 19358 1 363 . 1 1 77 77 SER H H 1 8.345 . . . . . . . 98 SER HN . 19358 1 364 . 1 1 77 77 SER C C 13 174.500 . . . . . . . 98 SER CO . 19358 1 365 . 1 1 77 77 SER CA C 13 58.390 . . . . . . . 98 SER CA . 19358 1 366 . 1 1 77 77 SER CB C 13 63.650 . . . . . . . 98 SER CB . 19358 1 367 . 1 1 77 77 SER N N 15 117.400 . . . . . . . 98 SER N . 19358 1 368 . 1 1 78 78 GLN H H 1 8.389 . . . . . . . 99 GLN HN . 19358 1 369 . 1 1 78 78 GLN C C 13 175.800 . . . . . . . 99 GLN CO . 19358 1 370 . 1 1 78 78 GLN CA C 13 55.640 . . . . . . . 99 GLN CA . 19358 1 371 . 1 1 78 78 GLN CB C 13 29.480 . . . . . . . 99 GLN CB . 19358 1 372 . 1 1 78 78 GLN N N 15 122.200 . . . . . . . 99 GLN N . 19358 1 373 . 1 1 79 79 VAL H H 1 8.212 . . . . . . . 100 VAL HN . 19358 1 374 . 1 1 79 79 VAL C C 13 174.400 . . . . . . . 100 VAL CO . 19358 1 375 . 1 1 79 79 VAL CA C 13 60.040 . . . . . . . 100 VAL CA . 19358 1 376 . 1 1 79 79 VAL CB C 13 32.440 . . . . . . . 100 VAL CB . 19358 1 377 . 1 1 79 79 VAL N N 15 123.400 . . . . . . . 100 VAL N . 19358 1 378 . 1 1 80 80 PRO C C 13 176.700 . . . . . . . 101 PRO CO . 19358 1 379 . 1 1 80 80 PRO CA C 13 63.010 . . . . . . . 101 PRO CA . 19358 1 380 . 1 1 80 80 PRO CB C 13 32.120 . . . . . . . 101 PRO CB . 19358 1 381 . 1 1 81 81 LEU H H 1 8.446 . . . . . . . 102 LEU HN . 19358 1 382 . 1 1 81 81 LEU C C 13 177.400 . . . . . . . 102 LEU CO . 19358 1 383 . 1 1 81 81 LEU CA C 13 55.140 . . . . . . . 102 LEU CA . 19358 1 384 . 1 1 81 81 LEU CB C 13 42.380 . . . . . . . 102 LEU CB . 19358 1 385 . 1 1 81 81 LEU N N 15 123.100 . . . . . . . 102 LEU N . 19358 1 386 . 1 1 82 82 GLU H H 1 8.404 . . . . . . . 103 GLU HN . 19358 1 387 . 1 1 82 82 GLU C C 13 173.900 . . . . . . . 103 GLU CO . 19358 1 388 . 1 1 82 82 GLU CA C 13 54.040 . . . . . . . 103 GLU CA . 19358 1 389 . 1 1 82 82 GLU CB C 13 29.740 . . . . . . . 103 GLU CB . 19358 1 390 . 1 1 82 82 GLU N N 15 123.400 . . . . . . . 103 GLU N . 19358 1 391 . 1 1 84 84 PRO C C 13 176.700 . . . . . . . 105 PRO CO . 19358 1 392 . 1 1 84 84 PRO CA C 13 62.690 . . . . . . . 105 PRO CA . 19358 1 393 . 1 1 84 84 PRO CB C 13 32.060 . . . . . . . 105 PRO CB . 19358 1 394 . 1 1 85 85 LEU H H 1 8.336 . . . . . . . 106 LEU HN . 19358 1 395 . 1 1 85 85 LEU C C 13 177.100 . . . . . . . 106 LEU CO . 19358 1 396 . 1 1 85 85 LEU CA C 13 55.060 . . . . . . . 106 LEU CA . 19358 1 397 . 1 1 85 85 LEU CB C 13 42.270 . . . . . . . 106 LEU CB . 19358 1 398 . 1 1 85 85 LEU N N 15 122.400 . . . . . . . 106 LEU N . 19358 1 399 . 1 1 86 86 LEU H H 1 8.196 . . . . . . . 107 LEU HN . 19358 1 400 . 1 1 86 86 LEU C C 13 176.600 . . . . . . . 107 LEU CO . 19358 1 401 . 1 1 86 86 LEU CA C 13 54.980 . . . . . . . 107 LEU CA . 19358 1 402 . 1 1 86 86 LEU CB C 13 42.540 . . . . . . . 107 LEU CB . 19358 1 403 . 1 1 86 86 LEU N N 15 123.200 . . . . . . . 107 LEU N . 19358 1 404 . 1 1 87 87 PHE H H 1 8.208 . . . . . . . 108 PHE HN . 19358 1 405 . 1 1 87 87 PHE C C 13 175.100 . . . . . . . 108 PHE CO . 19358 1 406 . 1 1 87 87 PHE CA C 13 57.360 . . . . . . . 108 PHE CA . 19358 1 407 . 1 1 87 87 PHE CB C 13 39.610 . . . . . . . 108 PHE CB . 19358 1 408 . 1 1 87 87 PHE N N 15 121.000 . . . . . . . 108 PHE N . 19358 1 409 . 1 1 88 88 LEU H H 1 8.210 . . . . . . . 109 LEU HN . 19358 1 410 . 1 1 88 88 LEU C C 13 176.700 . . . . . . . 109 LEU CO . 19358 1 411 . 1 1 88 88 LEU CA C 13 54.740 . . . . . . . 109 LEU CA . 19358 1 412 . 1 1 88 88 LEU CB C 13 42.380 . . . . . . . 109 LEU CB . 19358 1 413 . 1 1 88 88 LEU N N 15 124.300 . . . . . . . 109 LEU N . 19358 1 414 . 1 1 89 89 LEU H H 1 8.240 . . . . . . . 110 LEU HN . 19358 1 415 . 1 1 89 89 LEU C C 13 177.100 . . . . . . . 110 LEU CO . 19358 1 416 . 1 1 89 89 LEU CA C 13 54.890 . . . . . . . 110 LEU CA . 19358 1 417 . 1 1 89 89 LEU CB C 13 42.440 . . . . . . . 110 LEU CB . 19358 1 418 . 1 1 89 89 LEU N N 15 123.600 . . . . . . . 110 LEU N . 19358 1 419 . 1 1 90 90 GLU H H 1 8.399 . . . . . . . 111 GLU HN . 19358 1 420 . 1 1 90 90 GLU C C 13 175.900 . . . . . . . 111 GLU CO . 19358 1 421 . 1 1 90 90 GLU CA C 13 56.300 . . . . . . . 111 GLU CA . 19358 1 422 . 1 1 90 90 GLU CB C 13 30.470 . . . . . . . 111 GLU CB . 19358 1 423 . 1 1 90 90 GLU N N 15 122.200 . . . . . . . 111 GLU N . 19358 1 424 . 1 1 91 91 GLU H H 1 8.320 . . . . . . . 112 GLU HN . 19358 1 425 . 1 1 91 91 GLU C C 13 175.000 . . . . . . . 112 GLU CO . 19358 1 426 . 1 1 91 91 GLU CA C 13 56.230 . . . . . . . 112 GLU CA . 19358 1 427 . 1 1 91 91 GLU CB C 13 30.830 . . . . . . . 112 GLU CB . 19358 1 428 . 1 1 91 91 GLU N N 15 122.200 . . . . . . . 112 GLU N . 19358 1 429 . 1 1 92 92 TYR H H 1 7.828 . . . . . . . 113 TYR HN . 19358 1 430 . 1 1 92 92 TYR C C 13 174.800 . . . . . . . 113 TYR CO . 19358 1 431 . 1 1 92 92 TYR CA C 13 59.140 . . . . . . . 113 TYR CA . 19358 1 432 . 1 1 92 92 TYR CB C 13 39.510 . . . . . . . 113 TYR CB . 19358 1 433 . 1 1 92 92 TYR N N 15 126.200 . . . . . . . 113 TYR N . 19358 1 stop_ save_