data_3433 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 3433 _Entry.Title ; 1H and 15N assignments and secondary structure of the Src Sh3 domain ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 . _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 Hongtao Yu . . . 3433 2 Michael Rosen . K. . 3433 3 Stuart Schreiber . L. . 3433 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 3433 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 68 3433 '1H chemical shifts' 418 3433 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 3 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 3433 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 3433 1 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 3433 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 3433 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Yu, Hongtao, Rosen, Michael K., Schreiber, Stuart L., "1H and 15N assignments and secondary structure of the Src Sh3 domain," FEBS Lett. 324 (1), 87-92 (1993). ; _Citation.Title '1H and 15N assignments and secondary structure of the Src Sh3 domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 324 _Citation.Journal_issue 1 _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 87 _Citation.Page_last 92 _Citation.Year 1993 _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 Hongtao Yu . . . 3433 1 2 Michael Rosen . K. . 3433 1 3 Stuart Schreiber . L. . 3433 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Src_tyrosine_kinase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Src_tyrosine_kinase _Assembly.Entry_ID 3433 _Assembly.ID 1 _Assembly.Name 'Src tyrosine kinase' _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Src tyrosine kinase' 1 $Src_tyrosine_kinase . . . . . . . . . 3433 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Src tyrosine kinase' system 3433 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Src_tyrosine_kinase _Entity.Sf_category entity _Entity.Sf_framecode Src_tyrosine_kinase _Entity.Entry_ID 3433 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Src tyrosine kinase' _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 ; XXHMGGVTTFVALYDYESRT ETDLSFKKGERLQIVNNTEG DWWLAHSLTTGQTGYIPSNY VAPS ; _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 64 _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 . _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 16750 . c-src_SH3 . . . . . 90.63 80 100.00 100.00 4.95e-34 . . . . 3433 1 2 no PDB 1FMK . "Crystal Structure Of Human Tyrosine-Protein Kinase C-Src" . . . . . 90.63 452 98.28 100.00 8.54e-31 . . . . 3433 1 3 no PDB 1KSW . "Structure Of Human C-Src Tyrosine Kinase (Thr338gly Mutant) In Complex With N6-Benzyl Adp" . . . . . 90.63 452 98.28 100.00 8.38e-31 . . . . 3433 1 4 no PDB 1NLO . "Structure Of Signal Transduction Protein, Nmr, Minimized Average Structure" . . . . . 96.88 64 100.00 100.00 2.21e-37 . . . . 3433 1 5 no PDB 1NLP . "Structure Of Signal Transduction Protein, Nmr, Minimized Average Structure" . . . . . 96.88 64 100.00 100.00 2.21e-37 . . . . 3433 1 6 no PDB 1PRL . "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" . . . . . 93.75 64 100.00 100.00 2.10e-35 . . . . 3433 1 7 no PDB 1PRM . "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" . . . . . 93.75 64 100.00 100.00 2.10e-35 . . . . 3433 1 8 no PDB 1QWE . "C-Src Sh3 Domain Complexed With Ligand App12" . . . . . 96.88 64 100.00 100.00 2.21e-37 . . . . 3433 1 9 no PDB 1QWF . "C-Src Sh3 Domain Complexed With Ligand Vsl12" . . . . . 96.88 64 100.00 100.00 2.21e-37 . . . . 3433 1 10 no PDB 1RLP . "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" . . . . . 93.75 64 100.00 100.00 2.10e-35 . . . . 3433 1 11 no PDB 1RLQ . "Two Binding Orientations For Peptides To Src Sh3 Domain: Development Of A General Model For Sh3-Ligand Interactions" . . . . . 93.75 64 100.00 100.00 2.10e-35 . . . . 3433 1 12 no PDB 1SRL . "1h And 15n Assignments And Secondary Structure Of The Src Sh3 Domain" . . . . . 93.75 64 100.00 100.00 2.10e-35 . . . . 3433 1 13 no PDB 1SRM . "1h And 15n Assignments And Secondary Structure Of The Src Sh3 Domain" . . . . . 93.75 64 100.00 100.00 2.10e-35 . . . . 3433 1 14 no PDB 1Y57 . "Structure Of Unphosphorylated C-Src In Complex With An Inhibitor" . . . . . 90.63 452 98.28 100.00 8.89e-31 . . . . 3433 1 15 no PDB 2H8H . "Src Kinase In Complex With A Quinazoline Inhibitor" . . . . . 93.75 535 98.33 100.00 2.50e-32 . . . . 3433 1 16 no PDB 2PTK . "Chicken Src Tyrosine Kinase" . . . . . 93.75 453 100.00 100.00 1.14e-32 . . . . 3433 1 17 no PDB 2SRC . "Crystal Structure Of Human Tyrosine-protein Kinase C-src, In Complex With Amp-pnp" . . . . . 90.63 452 98.28 100.00 8.54e-31 . . . . 3433 1 18 no PDB 3FJ5 . "Crystal Structure Of The C-Src-Sh3 Domain" . . . . . 87.50 57 98.21 100.00 6.23e-32 . . . . 3433 1 19 no PDB 4K11 . "The Structure Of 1na In Complex With Src T338g" . . . . . 89.06 448 98.25 100.00 3.63e-30 . . . . 3433 1 20 no DBJ BAE26865 . "unnamed protein product [Mus musculus]" . . . . . 93.75 535 98.33 100.00 2.68e-32 . . . . 3433 1 21 no DBJ BAI47379 . "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [synthetic construct]" . . . . . 93.75 536 98.33 100.00 2.49e-32 . . . . 3433 1 22 no EMBL CAA23696 . "pp60-c-src protein [Gallus gallus]" . . . . . 93.75 533 100.00 100.00 1.12e-32 . . . . 3433 1 23 no EMBL CAA33404 . "unnamed protein product [Rous sarcoma virus]" . . . . . 93.75 526 98.33 98.33 2.93e-31 . . . . 3433 1 24 no EMBL CAA36156 . "src protein [Avian sarcoma virus]" . . . . . 93.75 587 100.00 100.00 2.64e-32 . . . . 3433 1 25 no EMBL CAA37004 . "v-3src-1 [Rous sarcoma virus]" . . . . . 93.75 526 98.33 98.33 3.15e-31 . . . . 3433 1 26 no GB AAA42565 . "src-p60 phosphoprotein [Rous sarcoma virus]" . . . . . 93.75 526 100.00 100.00 9.92e-33 . . . . 3433 1 27 no GB AAA42570 . "src-p68 phosphoprotein, partial [Rous sarcoma virus]" . . . . . 93.75 285 98.33 98.33 2.74e-32 . . . . 3433 1 28 no GB AAA42571 . "src-p60 phoshoprotein [Rous sarcoma virus]" . . . . . 93.75 204 98.33 98.33 1.11e-32 . . . . 3433 1 29 no GB AAA42583 . "p66-src protein [Rous sarcoma virus]" . . . . . 93.75 587 100.00 100.00 2.64e-32 . . . . 3433 1 30 no GB AAA49078 . "pp60c-scr [Gallus gallus]" . . . . . 93.75 193 100.00 100.00 8.74e-35 . . . . 3433 1 31 no REF NP_001020566 . "neuronal proto-oncogene tyrosine-protein kinase Src isoform 2 [Mus musculus]" . . . . . 93.75 535 98.33 100.00 2.77e-32 . . . . 3433 1 32 no REF NP_001104274 . "proto-oncogene tyrosine-protein kinase Src [Bos taurus]" . . . . . 93.75 542 98.33 100.00 3.59e-32 . . . . 3433 1 33 no REF NP_001248263 . "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Macaca mulatta]" . . . . . 93.75 536 98.33 100.00 2.49e-32 . . . . 3433 1 34 no REF NP_005408 . "proto-oncogene tyrosine-protein kinase Src [Homo sapiens]" . . . . . 93.75 536 98.33 100.00 2.49e-32 . . . . 3433 1 35 no REF NP_056888 . "p60 src [Rous sarcoma virus]" . . . . . 93.75 526 98.33 98.33 3.38e-31 . . . . 3433 1 36 no SP P00523 . "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" . . . . . 93.75 533 100.00 100.00 1.12e-32 . . . . 3433 1 37 no SP P00524 . "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" . . . . . 93.75 526 100.00 100.00 9.92e-33 . . . . 3433 1 38 no SP P00525 . "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" . . . . . 93.75 526 100.00 100.00 9.92e-33 . . . . 3433 1 39 no SP P00526 . "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" . . . . . 93.75 526 98.33 98.33 3.38e-31 . . . . 3433 1 40 no SP P12931 . "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" . . . . . 93.75 536 98.33 100.00 2.49e-32 . . . . 3433 1 41 no TPG DAA23281 . "TPA: v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Bos taurus]" . . . . . 93.75 542 98.33 100.00 3.59e-32 . . . . 3433 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' variant 3433 1 'Src tyrosine kinase' common 3433 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 . X . 3433 1 2 . X . 3433 1 3 . HIS . 3433 1 4 . MET . 3433 1 5 . GLY . 3433 1 6 . GLY . 3433 1 7 . VAL . 3433 1 8 . THR . 3433 1 9 . THR . 3433 1 10 . PHE . 3433 1 11 . VAL . 3433 1 12 . ALA . 3433 1 13 . LEU . 3433 1 14 . TYR . 3433 1 15 . ASP . 3433 1 16 . TYR . 3433 1 17 . GLU . 3433 1 18 . SER . 3433 1 19 . ARG . 3433 1 20 . THR . 3433 1 21 . GLU . 3433 1 22 . THR . 3433 1 23 . ASP . 3433 1 24 . LEU . 3433 1 25 . SER . 3433 1 26 . PHE . 3433 1 27 . LYS . 3433 1 28 . LYS . 3433 1 29 . GLY . 3433 1 30 . GLU . 3433 1 31 . ARG . 3433 1 32 . LEU . 3433 1 33 . GLN . 3433 1 34 . ILE . 3433 1 35 . VAL . 3433 1 36 . ASN . 3433 1 37 . ASN . 3433 1 38 . THR . 3433 1 39 . GLU . 3433 1 40 . GLY . 3433 1 41 . ASP . 3433 1 42 . TRP . 3433 1 43 . TRP . 3433 1 44 . LEU . 3433 1 45 . ALA . 3433 1 46 . HIS . 3433 1 47 . SER . 3433 1 48 . LEU . 3433 1 49 . THR . 3433 1 50 . THR . 3433 1 51 . GLY . 3433 1 52 . GLN . 3433 1 53 . THR . 3433 1 54 . GLY . 3433 1 55 . TYR . 3433 1 56 . ILE . 3433 1 57 . PRO . 3433 1 58 . SER . 3433 1 59 . ASN . 3433 1 60 . TYR . 3433 1 61 . VAL . 3433 1 62 . ALA . 3433 1 63 . PRO . 3433 1 64 . SER . 3433 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 . X 1 1 3433 1 . X 2 2 3433 1 . HIS 3 3 3433 1 . MET 4 4 3433 1 . GLY 5 5 3433 1 . GLY 6 6 3433 1 . VAL 7 7 3433 1 . THR 8 8 3433 1 . THR 9 9 3433 1 . PHE 10 10 3433 1 . VAL 11 11 3433 1 . ALA 12 12 3433 1 . LEU 13 13 3433 1 . TYR 14 14 3433 1 . ASP 15 15 3433 1 . TYR 16 16 3433 1 . GLU 17 17 3433 1 . SER 18 18 3433 1 . ARG 19 19 3433 1 . THR 20 20 3433 1 . GLU 21 21 3433 1 . THR 22 22 3433 1 . ASP 23 23 3433 1 . LEU 24 24 3433 1 . SER 25 25 3433 1 . PHE 26 26 3433 1 . LYS 27 27 3433 1 . LYS 28 28 3433 1 . GLY 29 29 3433 1 . GLU 30 30 3433 1 . ARG 31 31 3433 1 . LEU 32 32 3433 1 . GLN 33 33 3433 1 . ILE 34 34 3433 1 . VAL 35 35 3433 1 . ASN 36 36 3433 1 . ASN 37 37 3433 1 . THR 38 38 3433 1 . GLU 39 39 3433 1 . GLY 40 40 3433 1 . ASP 41 41 3433 1 . TRP 42 42 3433 1 . TRP 43 43 3433 1 . LEU 44 44 3433 1 . ALA 45 45 3433 1 . HIS 46 46 3433 1 . SER 47 47 3433 1 . LEU 48 48 3433 1 . THR 49 49 3433 1 . THR 50 50 3433 1 . GLY 51 51 3433 1 . GLN 52 52 3433 1 . THR 53 53 3433 1 . GLY 54 54 3433 1 . TYR 55 55 3433 1 . ILE 56 56 3433 1 . PRO 57 57 3433 1 . SER 58 58 3433 1 . ASN 59 59 3433 1 . TYR 60 60 3433 1 . VAL 61 61 3433 1 . ALA 62 62 3433 1 . PRO 63 63 3433 1 . SER 64 64 3433 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 3433 _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 $Src_tyrosine_kinase . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3433 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 3433 _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 $Src_tyrosine_kinase . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3433 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 3433 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 3433 _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 . na 3433 1 temperature 278 . K 3433 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 3433 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 3433 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'The chemical shift reference is not available at this time.' 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 3433 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_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 . 3433 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 3 3 HIS H H 1 8.07 . . 1 . . . . . . . . 3433 1 2 . 1 1 3 3 HIS HA H 1 4.53 . . 1 . . . . . . . . 3433 1 3 . 1 1 3 3 HIS HB2 H 1 2.87 . . 2 . . . . . . . . 3433 1 4 . 1 1 3 3 HIS HB3 H 1 2.7 . . 2 . . . . . . . . 3433 1 5 . 1 1 3 3 HIS HD2 H 1 8.25 . . 1 . . . . . . . . 3433 1 6 . 1 1 3 3 HIS HE1 H 1 7.23 . . 1 . . . . . . . . 3433 1 7 . 1 1 3 3 HIS N N 15 129.7 . . 1 . . . . . . . . 3433 1 8 . 1 1 4 4 MET H H 1 8.56 . . 1 . . . . . . . . 3433 1 9 . 1 1 4 4 MET HA H 1 4.08 . . 1 . . . . . . . . 3433 1 10 . 1 1 4 4 MET HB2 H 1 2.2 . . 2 . . . . . . . . 3433 1 11 . 1 1 4 4 MET HB3 H 1 2.07 . . 2 . . . . . . . . 3433 1 12 . 1 1 4 4 MET HG2 H 1 2.65 . . 2 . . . . . . . . 3433 1 13 . 1 1 4 4 MET HG3 H 1 2.58 . . 2 . . . . . . . . 3433 1 14 . 1 1 5 5 GLY H H 1 8.38 . . 1 . . . . . . . . 3433 1 15 . 1 1 5 5 GLY HA2 H 1 4.6 . . 1 . . . . . . . . 3433 1 16 . 1 1 5 5 GLY HA3 H 1 4.6 . . 1 . . . . . . . . 3433 1 17 . 1 1 5 5 GLY N N 15 111.7 . . 1 . . . . . . . . 3433 1 18 . 1 1 6 6 GLY H H 1 8.38 . . 1 . . . . . . . . 3433 1 19 . 1 1 6 6 GLY HA2 H 1 4.04 . . 2 . . . . . . . . 3433 1 20 . 1 1 6 6 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 3433 1 21 . 1 1 6 6 GLY N N 15 110.3 . . 1 . . . . . . . . 3433 1 22 . 1 1 7 7 VAL H H 1 8.1 . . 1 . . . . . . . . 3433 1 23 . 1 1 7 7 VAL HA H 1 4.35 . . 1 . . . . . . . . 3433 1 24 . 1 1 7 7 VAL HB H 1 2.15 . . 1 . . . . . . . . 3433 1 25 . 1 1 7 7 VAL HG11 H 1 1 . . 2 . . . . . . . . 3433 1 26 . 1 1 7 7 VAL HG12 H 1 1 . . 2 . . . . . . . . 3433 1 27 . 1 1 7 7 VAL HG13 H 1 1 . . 2 . . . . . . . . 3433 1 28 . 1 1 7 7 VAL HG21 H 1 .93 . . 2 . . . . . . . . 3433 1 29 . 1 1 7 7 VAL HG22 H 1 .93 . . 2 . . . . . . . . 3433 1 30 . 1 1 7 7 VAL HG23 H 1 .93 . . 2 . . . . . . . . 3433 1 31 . 1 1 7 7 VAL N N 15 120.8 . . 1 . . . . . . . . 3433 1 32 . 1 1 8 8 THR H H 1 8.57 . . 1 . . . . . . . . 3433 1 33 . 1 1 8 8 THR HA H 1 4.6 . . 1 . . . . . . . . 3433 1 34 . 1 1 8 8 THR HB H 1 4.35 . . 1 . . . . . . . . 3433 1 35 . 1 1 8 8 THR HG21 H 1 1.22 . . 1 . . . . . . . . 3433 1 36 . 1 1 8 8 THR HG22 H 1 1.22 . . 1 . . . . . . . . 3433 1 37 . 1 1 8 8 THR HG23 H 1 1.22 . . 1 . . . . . . . . 3433 1 38 . 1 1 8 8 THR N N 15 120.8 . . 1 . . . . . . . . 3433 1 39 . 1 1 9 9 THR H H 1 8.45 . . 1 . . . . . . . . 3433 1 40 . 1 1 9 9 THR HA H 1 5.11 . . 1 . . . . . . . . 3433 1 41 . 1 1 9 9 THR HB H 1 4.13 . . 1 . . . . . . . . 3433 1 42 . 1 1 9 9 THR HG21 H 1 1.28 . . 1 . . . . . . . . 3433 1 43 . 1 1 9 9 THR HG22 H 1 1.28 . . 1 . . . . . . . . 3433 1 44 . 1 1 9 9 THR HG23 H 1 1.28 . . 1 . . . . . . . . 3433 1 45 . 1 1 9 9 THR N N 15 121.1 . . 1 . . . . . . . . 3433 1 46 . 1 1 10 10 PHE H H 1 9.49 . . 1 . . . . . . . . 3433 1 47 . 1 1 10 10 PHE HA H 1 5.1 . . 1 . . . . . . . . 3433 1 48 . 1 1 10 10 PHE HB2 H 1 2.85 . . 1 . . . . . . . . 3433 1 49 . 1 1 10 10 PHE HB3 H 1 2.96 . . 1 . . . . . . . . 3433 1 50 . 1 1 10 10 PHE HD1 H 1 7.11 . . 1 . . . . . . . . 3433 1 51 . 1 1 10 10 PHE HD2 H 1 7.11 . . 1 . . . . . . . . 3433 1 52 . 1 1 10 10 PHE HE1 H 1 7.48 . . 1 . . . . . . . . 3433 1 53 . 1 1 10 10 PHE HE2 H 1 7.48 . . 1 . . . . . . . . 3433 1 54 . 1 1 10 10 PHE HZ H 1 7.41 . . 1 . . . . . . . . 3433 1 55 . 1 1 10 10 PHE N N 15 128.2 . . 1 . . . . . . . . 3433 1 56 . 1 1 11 11 VAL H H 1 9.64 . . 1 . . . . . . . . 3433 1 57 . 1 1 11 11 VAL HA H 1 5.19 . . 1 . . . . . . . . 3433 1 58 . 1 1 11 11 VAL HB H 1 1.91 . . 1 . . . . . . . . 3433 1 59 . 1 1 11 11 VAL HG11 H 1 .95 . . 2 . . . . . . . . 3433 1 60 . 1 1 11 11 VAL HG12 H 1 .95 . . 2 . . . . . . . . 3433 1 61 . 1 1 11 11 VAL HG13 H 1 .95 . . 2 . . . . . . . . 3433 1 62 . 1 1 11 11 VAL HG21 H 1 .93 . . 2 . . . . . . . . 3433 1 63 . 1 1 11 11 VAL HG22 H 1 .93 . . 2 . . . . . . . . 3433 1 64 . 1 1 11 11 VAL HG23 H 1 .93 . . 2 . . . . . . . . 3433 1 65 . 1 1 11 11 VAL N N 15 120.7 . . 1 . . . . . . . . 3433 1 66 . 1 1 12 12 ALA H H 1 8.66 . . 1 . . . . . . . . 3433 1 67 . 1 1 12 12 ALA HA H 1 4.73 . . 1 . . . . . . . . 3433 1 68 . 1 1 12 12 ALA HB1 H 1 1.83 . . 1 . . . . . . . . 3433 1 69 . 1 1 12 12 ALA HB2 H 1 1.83 . . 1 . . . . . . . . 3433 1 70 . 1 1 12 12 ALA HB3 H 1 1.83 . . 1 . . . . . . . . 3433 1 71 . 1 1 12 12 ALA N N 15 128.4 . . 1 . . . . . . . . 3433 1 72 . 1 1 13 13 LEU H H 1 9.58 . . 1 . . . . . . . . 3433 1 73 . 1 1 13 13 LEU HA H 1 4.09 . . 1 . . . . . . . . 3433 1 74 . 1 1 13 13 LEU HB2 H 1 1.06 . . 1 . . . . . . . . 3433 1 75 . 1 1 13 13 LEU HB3 H 1 .69 . . 1 . . . . . . . . 3433 1 76 . 1 1 13 13 LEU HG H 1 1.49 . . 1 . . . . . . . . 3433 1 77 . 1 1 13 13 LEU HD11 H 1 .78 . . 1 . . . . . . . . 3433 1 78 . 1 1 13 13 LEU HD12 H 1 .78 . . 1 . . . . . . . . 3433 1 79 . 1 1 13 13 LEU HD13 H 1 .78 . . 1 . . . . . . . . 3433 1 80 . 1 1 13 13 LEU HD21 H 1 .78 . . 1 . . . . . . . . 3433 1 81 . 1 1 13 13 LEU HD22 H 1 .78 . . 1 . . . . . . . . 3433 1 82 . 1 1 13 13 LEU HD23 H 1 .78 . . 1 . . . . . . . . 3433 1 83 . 1 1 13 13 LEU N N 15 127.6 . . 1 . . . . . . . . 3433 1 84 . 1 1 14 14 TYR H H 1 7.28 . . 1 . . . . . . . . 3433 1 85 . 1 1 14 14 TYR HA H 1 5 . . 1 . . . . . . . . 3433 1 86 . 1 1 14 14 TYR HB2 H 1 2.58 . . 1 . . . . . . . . 3433 1 87 . 1 1 14 14 TYR HB3 H 1 3.43 . . 1 . . . . . . . . 3433 1 88 . 1 1 14 14 TYR HD1 H 1 6.74 . . 1 . . . . . . . . 3433 1 89 . 1 1 14 14 TYR HD2 H 1 6.74 . . 1 . . . . . . . . 3433 1 90 . 1 1 14 14 TYR HE1 H 1 7.28 . . 1 . . . . . . . . 3433 1 91 . 1 1 14 14 TYR HE2 H 1 7.28 . . 1 . . . . . . . . 3433 1 92 . 1 1 14 14 TYR N N 15 113.7 . . 1 . . . . . . . . 3433 1 93 . 1 1 15 15 ASP H H 1 8.4 . . 1 . . . . . . . . 3433 1 94 . 1 1 15 15 ASP HA H 1 4.89 . . 1 . . . . . . . . 3433 1 95 . 1 1 15 15 ASP HB2 H 1 2.9 . . 2 . . . . . . . . 3433 1 96 . 1 1 15 15 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 3433 1 97 . 1 1 15 15 ASP N N 15 119.3 . . 1 . . . . . . . . 3433 1 98 . 1 1 16 16 TYR H H 1 8.75 . . 1 . . . . . . . . 3433 1 99 . 1 1 16 16 TYR HA H 1 4.63 . . 1 . . . . . . . . 3433 1 100 . 1 1 16 16 TYR HB2 H 1 2.42 . . 1 . . . . . . . . 3433 1 101 . 1 1 16 16 TYR HB3 H 1 2.42 . . 1 . . . . . . . . 3433 1 102 . 1 1 16 16 TYR HD1 H 1 7.14 . . 1 . . . . . . . . 3433 1 103 . 1 1 16 16 TYR HD2 H 1 7.14 . . 1 . . . . . . . . 3433 1 104 . 1 1 16 16 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 3433 1 105 . 1 1 16 16 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 3433 1 106 . 1 1 16 16 TYR N N 15 122.9 . . 1 . . . . . . . . 3433 1 107 . 1 1 17 17 GLU H H 1 7.56 . . 1 . . . . . . . . 3433 1 108 . 1 1 17 17 GLU HA H 1 4.4 . . 1 . . . . . . . . 3433 1 109 . 1 1 17 17 GLU HB2 H 1 1.83 . . 2 . . . . . . . . 3433 1 110 . 1 1 17 17 GLU HB3 H 1 1.75 . . 2 . . . . . . . . 3433 1 111 . 1 1 17 17 GLU HG2 H 1 2.2 . . 1 . . . . . . . . 3433 1 112 . 1 1 17 17 GLU HG3 H 1 2.2 . . 1 . . . . . . . . 3433 1 113 . 1 1 17 17 GLU N N 15 129.6 . . 1 . . . . . . . . 3433 1 114 . 1 1 18 18 SER H H 1 8.27 . . 1 . . . . . . . . 3433 1 115 . 1 1 18 18 SER HA H 1 4.21 . . 1 . . . . . . . . 3433 1 116 . 1 1 18 18 SER HB2 H 1 3.96 . . 2 . . . . . . . . 3433 1 117 . 1 1 18 18 SER HB3 H 1 3.76 . . 2 . . . . . . . . 3433 1 118 . 1 1 18 18 SER N N 15 119.7 . . 1 . . . . . . . . 3433 1 119 . 1 1 19 19 ARG H H 1 9.81 . . 1 . . . . . . . . 3433 1 120 . 1 1 19 19 ARG HA H 1 4.6 . . 1 . . . . . . . . 3433 1 121 . 1 1 19 19 ARG HB2 H 1 1.88 . . 1 . . . . . . . . 3433 1 122 . 1 1 19 19 ARG HB3 H 1 2.06 . . 1 . . . . . . . . 3433 1 123 . 1 1 19 19 ARG HG2 H 1 1.85 . . 2 . . . . . . . . 3433 1 124 . 1 1 19 19 ARG HG3 H 1 1.78 . . 2 . . . . . . . . 3433 1 125 . 1 1 19 19 ARG NE N 15 85.8 . . 1 . . . . . . . . 3433 1 126 . 1 1 19 19 ARG HD2 H 1 3.31 . . 1 . . . . . . . . 3433 1 127 . 1 1 19 19 ARG HD3 H 1 3.31 . . 1 . . . . . . . . 3433 1 128 . 1 1 19 19 ARG HE H 1 7.32 . . 1 . . . . . . . . 3433 1 129 . 1 1 19 19 ARG N N 15 126.4 . . 1 . . . . . . . . 3433 1 130 . 1 1 20 20 THR H H 1 8.54 . . 1 . . . . . . . . 3433 1 131 . 1 1 20 20 THR HA H 1 4.86 . . 1 . . . . . . . . 3433 1 132 . 1 1 20 20 THR HB H 1 4.4 . . 1 . . . . . . . . 3433 1 133 . 1 1 20 20 THR HG21 H 1 1.19 . . 1 . . . . . . . . 3433 1 134 . 1 1 20 20 THR HG22 H 1 1.19 . . 1 . . . . . . . . 3433 1 135 . 1 1 20 20 THR HG23 H 1 1.19 . . 1 . . . . . . . . 3433 1 136 . 1 1 20 20 THR N N 15 115.4 . . 1 . . . . . . . . 3433 1 137 . 1 1 21 21 GLU H H 1 8.99 . . 1 . . . . . . . . 3433 1 138 . 1 1 21 21 GLU HA H 1 4.46 . . 1 . . . . . . . . 3433 1 139 . 1 1 21 21 GLU HB2 H 1 2.3 . . 2 . . . . . . . . 3433 1 140 . 1 1 21 21 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 3433 1 141 . 1 1 21 21 GLU HG2 H 1 2.51 . . 1 . . . . . . . . 3433 1 142 . 1 1 21 21 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 3433 1 143 . 1 1 21 21 GLU N N 15 121.6 . . 1 . . . . . . . . 3433 1 144 . 1 1 22 22 THR H H 1 7.88 . . 1 . . . . . . . . 3433 1 145 . 1 1 22 22 THR HA H 1 4.73 . . 1 . . . . . . . . 3433 1 146 . 1 1 22 22 THR HB H 1 4.73 . . 1 . . . . . . . . 3433 1 147 . 1 1 22 22 THR HG21 H 1 1.35 . . 1 . . . . . . . . 3433 1 148 . 1 1 22 22 THR HG22 H 1 1.35 . . 1 . . . . . . . . 3433 1 149 . 1 1 22 22 THR HG23 H 1 1.35 . . 1 . . . . . . . . 3433 1 150 . 1 1 22 22 THR N N 15 107.6 . . 1 . . . . . . . . 3433 1 151 . 1 1 23 23 ASP H H 1 8.03 . . 1 . . . . . . . . 3433 1 152 . 1 1 23 23 ASP HA H 1 5.58 . . 1 . . . . . . . . 3433 1 153 . 1 1 23 23 ASP HB2 H 1 3.29 . . 2 . . . . . . . . 3433 1 154 . 1 1 23 23 ASP HB3 H 1 3.09 . . 2 . . . . . . . . 3433 1 155 . 1 1 23 23 ASP N N 15 124.8 . . 1 . . . . . . . . 3433 1 156 . 1 1 24 24 LEU H H 1 8.77 . . 1 . . . . . . . . 3433 1 157 . 1 1 24 24 LEU HA H 1 4.72 . . 1 . . . . . . . . 3433 1 158 . 1 1 24 24 LEU HB2 H 1 1.92 . . 1 . . . . . . . . 3433 1 159 . 1 1 24 24 LEU HB3 H 1 1.07 . . 1 . . . . . . . . 3433 1 160 . 1 1 24 24 LEU HG H 1 1.76 . . 1 . . . . . . . . 3433 1 161 . 1 1 24 24 LEU HD11 H 1 .95 . . 2 . . . . . . . . 3433 1 162 . 1 1 24 24 LEU HD12 H 1 .95 . . 2 . . . . . . . . 3433 1 163 . 1 1 24 24 LEU HD13 H 1 .95 . . 2 . . . . . . . . 3433 1 164 . 1 1 24 24 LEU HD21 H 1 .78 . . 2 . . . . . . . . 3433 1 165 . 1 1 24 24 LEU HD22 H 1 .78 . . 2 . . . . . . . . 3433 1 166 . 1 1 24 24 LEU HD23 H 1 .78 . . 2 . . . . . . . . 3433 1 167 . 1 1 24 24 LEU N N 15 125.7 . . 1 . . . . . . . . 3433 1 168 . 1 1 25 25 SER H H 1 8.11 . . 1 . . . . . . . . 3433 1 169 . 1 1 25 25 SER HA H 1 5 . . 1 . . . . . . . . 3433 1 170 . 1 1 25 25 SER HB2 H 1 4.01 . . 1 . . . . . . . . 3433 1 171 . 1 1 25 25 SER HB3 H 1 4.17 . . 1 . . . . . . . . 3433 1 172 . 1 1 25 25 SER N N 15 118.9 . . 1 . . . . . . . . 3433 1 173 . 1 1 26 26 PHE H H 1 8.75 . . 1 . . . . . . . . 3433 1 174 . 1 1 26 26 PHE HA H 1 5.23 . . 1 . . . . . . . . 3433 1 175 . 1 1 26 26 PHE HB2 H 1 3.03 . . 1 . . . . . . . . 3433 1 176 . 1 1 26 26 PHE HB3 H 1 3.26 . . 1 . . . . . . . . 3433 1 177 . 1 1 26 26 PHE HD1 H 1 7.15 . . 1 . . . . . . . . 3433 1 178 . 1 1 26 26 PHE HD2 H 1 7.15 . . 1 . . . . . . . . 3433 1 179 . 1 1 26 26 PHE HE1 H 1 7.53 . . 1 . . . . . . . . 3433 1 180 . 1 1 26 26 PHE HE2 H 1 7.53 . . 1 . . . . . . . . 3433 1 181 . 1 1 26 26 PHE HZ H 1 6.94 . . 1 . . . . . . . . 3433 1 182 . 1 1 26 26 PHE N N 15 118.8 . . 1 . . . . . . . . 3433 1 183 . 1 1 27 27 LYS H H 1 8.81 . . 1 . . . . . . . . 3433 1 184 . 1 1 27 27 LYS HA H 1 5.18 . . 1 . . . . . . . . 3433 1 185 . 1 1 27 27 LYS HB2 H 1 2.08 . . 2 . . . . . . . . 3433 1 186 . 1 1 27 27 LYS HB3 H 1 1.95 . . 2 . . . . . . . . 3433 1 187 . 1 1 27 27 LYS HG2 H 1 1.63 . . 1 . . . . . . . . 3433 1 188 . 1 1 27 27 LYS HG3 H 1 1.63 . . 1 . . . . . . . . 3433 1 189 . 1 1 27 27 LYS N N 15 121.5 . . 1 . . . . . . . . 3433 1 190 . 1 1 28 28 LYS H H 1 9.33 . . 1 . . . . . . . . 3433 1 191 . 1 1 28 28 LYS HA H 1 3.57 . . 1 . . . . . . . . 3433 1 192 . 1 1 28 28 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 3433 1 193 . 1 1 28 28 LYS HB3 H 1 1.8 . . 1 . . . . . . . . 3433 1 194 . 1 1 28 28 LYS HG2 H 1 1.3 . . 1 . . . . . . . . 3433 1 195 . 1 1 28 28 LYS HG3 H 1 1.3 . . 1 . . . . . . . . 3433 1 196 . 1 1 28 28 LYS HE2 H 1 3.13 . . 1 . . . . . . . . 3433 1 197 . 1 1 28 28 LYS HE3 H 1 3.13 . . 1 . . . . . . . . 3433 1 198 . 1 1 28 28 LYS N N 15 122.7 . . 1 . . . . . . . . 3433 1 199 . 1 1 29 29 GLY H H 1 9.1 . . 1 . . . . . . . . 3433 1 200 . 1 1 29 29 GLY HA2 H 1 3.62 . . 2 . . . . . . . . 3433 1 201 . 1 1 29 29 GLY HA3 H 1 4.55 . . 2 . . . . . . . . 3433 1 202 . 1 1 29 29 GLY N N 15 116.3 . . 1 . . . . . . . . 3433 1 203 . 1 1 30 30 GLU H H 1 8.48 . . 1 . . . . . . . . 3433 1 204 . 1 1 30 30 GLU HA H 1 4.27 . . 1 . . . . . . . . 3433 1 205 . 1 1 30 30 GLU HB2 H 1 2.58 . . 2 . . . . . . . . 3433 1 206 . 1 1 30 30 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 3433 1 207 . 1 1 30 30 GLU HG2 H 1 2.77 . . 2 . . . . . . . . 3433 1 208 . 1 1 30 30 GLU HG3 H 1 2.43 . . 2 . . . . . . . . 3433 1 209 . 1 1 30 30 GLU N N 15 125 . . 1 . . . . . . . . 3433 1 210 . 1 1 31 31 ARG H H 1 8.2 . . 1 . . . . . . . . 3433 1 211 . 1 1 31 31 ARG HA H 1 5.19 . . 1 . . . . . . . . 3433 1 212 . 1 1 31 31 ARG HB2 H 1 1.97 . . 1 . . . . . . . . 3433 1 213 . 1 1 31 31 ARG HB3 H 1 1.78 . . 1 . . . . . . . . 3433 1 214 . 1 1 31 31 ARG HG2 H 1 1.9 . . 2 . . . . . . . . 3433 1 215 . 1 1 31 31 ARG HG3 H 1 1.67 . . 2 . . . . . . . . 3433 1 216 . 1 1 31 31 ARG NE N 15 86.5 . . 1 . . . . . . . . 3433 1 217 . 1 1 31 31 ARG HD2 H 1 3.3 . . 1 . . . . . . . . 3433 1 218 . 1 1 31 31 ARG HD3 H 1 3.3 . . 1 . . . . . . . . 3433 1 219 . 1 1 31 31 ARG HE H 1 7.31 . . 1 . . . . . . . . 3433 1 220 . 1 1 31 31 ARG N N 15 123.4 . . 1 . . . . . . . . 3433 1 221 . 1 1 32 32 LEU H H 1 9.32 . . 1 . . . . . . . . 3433 1 222 . 1 1 32 32 LEU HA H 1 5.17 . . 1 . . . . . . . . 3433 1 223 . 1 1 32 32 LEU HB2 H 1 1.43 . . 1 . . . . . . . . 3433 1 224 . 1 1 32 32 LEU HB3 H 1 1.21 . . 1 . . . . . . . . 3433 1 225 . 1 1 32 32 LEU HG H 1 1.51 . . 1 . . . . . . . . 3433 1 226 . 1 1 32 32 LEU HD11 H 1 .69 . . 2 . . . . . . . . 3433 1 227 . 1 1 32 32 LEU HD12 H 1 .69 . . 2 . . . . . . . . 3433 1 228 . 1 1 32 32 LEU HD13 H 1 .69 . . 2 . . . . . . . . 3433 1 229 . 1 1 32 32 LEU HD21 H 1 .28 . . 2 . . . . . . . . 3433 1 230 . 1 1 32 32 LEU HD22 H 1 .28 . . 2 . . . . . . . . 3433 1 231 . 1 1 32 32 LEU HD23 H 1 .28 . . 2 . . . . . . . . 3433 1 232 . 1 1 32 32 LEU N N 15 125.3 . . 1 . . . . . . . . 3433 1 233 . 1 1 33 33 GLN H H 1 9.25 . . 1 . . . . . . . . 3433 1 234 . 1 1 33 33 GLN HA H 1 5.13 . . 1 . . . . . . . . 3433 1 235 . 1 1 33 33 GLN HB2 H 1 2.21 . . 2 . . . . . . . . 3433 1 236 . 1 1 33 33 GLN HB3 H 1 2.17 . . 2 . . . . . . . . 3433 1 237 . 1 1 33 33 GLN HG2 H 1 2.49 . . 2 . . . . . . . . 3433 1 238 . 1 1 33 33 GLN HG3 H 1 2.39 . . 2 . . . . . . . . 3433 1 239 . 1 1 33 33 GLN NE2 N 15 113 . . 1 . . . . . . . . 3433 1 240 . 1 1 33 33 GLN HE21 H 1 7.58 . . 2 . . . . . . . . 3433 1 241 . 1 1 33 33 GLN HE22 H 1 6.96 . . 2 . . . . . . . . 3433 1 242 . 1 1 33 33 GLN N N 15 123.2 . . 1 . . . . . . . . 3433 1 243 . 1 1 34 34 ILE H H 1 9.2 . . 1 . . . . . . . . 3433 1 244 . 1 1 34 34 ILE HA H 1 4.4 . . 1 . . . . . . . . 3433 1 245 . 1 1 34 34 ILE HB H 1 2.01 . . 1 . . . . . . . . 3433 1 246 . 1 1 34 34 ILE HG12 H 1 1.55 . . 2 . . . . . . . . 3433 1 247 . 1 1 34 34 ILE HG13 H 1 .92 . . 2 . . . . . . . . 3433 1 248 . 1 1 34 34 ILE HG21 H 1 .54 . . 1 . . . . . . . . 3433 1 249 . 1 1 34 34 ILE HG22 H 1 .54 . . 1 . . . . . . . . 3433 1 250 . 1 1 34 34 ILE HG23 H 1 .54 . . 1 . . . . . . . . 3433 1 251 . 1 1 34 34 ILE HD11 H 1 .59 . . 1 . . . . . . . . 3433 1 252 . 1 1 34 34 ILE HD12 H 1 .59 . . 1 . . . . . . . . 3433 1 253 . 1 1 34 34 ILE HD13 H 1 .59 . . 1 . . . . . . . . 3433 1 254 . 1 1 34 34 ILE N N 15 127.6 . . 1 . . . . . . . . 3433 1 255 . 1 1 35 35 VAL H H 1 8.85 . . 1 . . . . . . . . 3433 1 256 . 1 1 35 35 VAL HA H 1 4.08 . . 1 . . . . . . . . 3433 1 257 . 1 1 35 35 VAL HB H 1 1.79 . . 1 . . . . . . . . 3433 1 258 . 1 1 35 35 VAL HG11 H 1 .96 . . 1 . . . . . . . . 3433 1 259 . 1 1 35 35 VAL HG12 H 1 .96 . . 1 . . . . . . . . 3433 1 260 . 1 1 35 35 VAL HG13 H 1 .96 . . 1 . . . . . . . . 3433 1 261 . 1 1 35 35 VAL HG21 H 1 .87 . . 1 . . . . . . . . 3433 1 262 . 1 1 35 35 VAL HG22 H 1 .87 . . 1 . . . . . . . . 3433 1 263 . 1 1 35 35 VAL HG23 H 1 .87 . . 1 . . . . . . . . 3433 1 264 . 1 1 35 35 VAL N N 15 128.8 . . 1 . . . . . . . . 3433 1 265 . 1 1 36 36 ASN H H 1 7.86 . . 1 . . . . . . . . 3433 1 266 . 1 1 36 36 ASN HA H 1 4.92 . . 1 . . . . . . . . 3433 1 267 . 1 1 36 36 ASN HB2 H 1 2.98 . . 2 . . . . . . . . 3433 1 268 . 1 1 36 36 ASN HB3 H 1 2.91 . . 2 . . . . . . . . 3433 1 269 . 1 1 36 36 ASN ND2 N 15 114.9 . . 1 . . . . . . . . 3433 1 270 . 1 1 36 36 ASN HD21 H 1 7.84 . . 2 . . . . . . . . 3433 1 271 . 1 1 36 36 ASN HD22 H 1 7.18 . . 2 . . . . . . . . 3433 1 272 . 1 1 36 36 ASN N N 15 117.8 . . 1 . . . . . . . . 3433 1 273 . 1 1 37 37 ASN H H 1 8.48 . . 1 . . . . . . . . 3433 1 274 . 1 1 37 37 ASN HA H 1 4.6 . . 1 . . . . . . . . 3433 1 275 . 1 1 37 37 ASN HB2 H 1 2.05 . . 2 . . . . . . . . 3433 1 276 . 1 1 37 37 ASN HB3 H 1 1.72 . . 2 . . . . . . . . 3433 1 277 . 1 1 37 37 ASN ND2 N 15 111.4 . . 1 . . . . . . . . 3433 1 278 . 1 1 37 37 ASN HD21 H 1 6.74 . . 2 . . . . . . . . 3433 1 279 . 1 1 37 37 ASN HD22 H 1 6.52 . . 2 . . . . . . . . 3433 1 280 . 1 1 37 37 ASN N N 15 119.7 . . 1 . . . . . . . . 3433 1 281 . 1 1 38 38 THR H H 1 8.03 . . 1 . . . . . . . . 3433 1 282 . 1 1 38 38 THR HA H 1 4.04 . . 1 . . . . . . . . 3433 1 283 . 1 1 38 38 THR HB H 1 4.32 . . 1 . . . . . . . . 3433 1 284 . 1 1 38 38 THR HG21 H 1 1.14 . . 1 . . . . . . . . 3433 1 285 . 1 1 38 38 THR HG22 H 1 1.14 . . 1 . . . . . . . . 3433 1 286 . 1 1 38 38 THR HG23 H 1 1.14 . . 1 . . . . . . . . 3433 1 287 . 1 1 38 38 THR N N 15 113 . . 1 . . . . . . . . 3433 1 288 . 1 1 39 39 GLU H H 1 8.62 . . 1 . . . . . . . . 3433 1 289 . 1 1 39 39 GLU HA H 1 4.7 . . 1 . . . . . . . . 3433 1 290 . 1 1 39 39 GLU HB2 H 1 2.31 . . 1 . . . . . . . . 3433 1 291 . 1 1 39 39 GLU HB3 H 1 2.42 . . 1 . . . . . . . . 3433 1 292 . 1 1 39 39 GLU HG2 H 1 2.49 . . 2 . . . . . . . . 3433 1 293 . 1 1 39 39 GLU HG3 H 1 2.24 . . 2 . . . . . . . . 3433 1 294 . 1 1 39 39 GLU N N 15 123.2 . . 1 . . . . . . . . 3433 1 295 . 1 1 40 40 GLY H H 1 8.5 . . 1 . . . . . . . . 3433 1 296 . 1 1 40 40 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 3433 1 297 . 1 1 40 40 GLY HA3 H 1 4.42 . . 2 . . . . . . . . 3433 1 298 . 1 1 40 40 GLY N N 15 110.1 . . 1 . . . . . . . . 3433 1 299 . 1 1 41 41 ASP H H 1 8.69 . . 1 . . . . . . . . 3433 1 300 . 1 1 41 41 ASP HA H 1 4.51 . . 1 . . . . . . . . 3433 1 301 . 1 1 41 41 ASP HB2 H 1 2.64 . . 2 . . . . . . . . 3433 1 302 . 1 1 41 41 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 3433 1 303 . 1 1 41 41 ASP N N 15 120.2 . . 1 . . . . . . . . 3433 1 304 . 1 1 42 42 TRP H H 1 7.9 . . 1 . . . . . . . . 3433 1 305 . 1 1 42 42 TRP HA H 1 5.32 . . 1 . . . . . . . . 3433 1 306 . 1 1 42 42 TRP HB2 H 1 3.07 . . 1 . . . . . . . . 3433 1 307 . 1 1 42 42 TRP HB3 H 1 3.07 . . 1 . . . . . . . . 3433 1 308 . 1 1 42 42 TRP NE1 N 15 130.5 . . 1 . . . . . . . . 3433 1 309 . 1 1 42 42 TRP HD1 H 1 7.25 . . 1 . . . . . . . . 3433 1 310 . 1 1 42 42 TRP HE1 H 1 10.08 . . 1 . . . . . . . . 3433 1 311 . 1 1 42 42 TRP HE3 H 1 7.31 . . 1 . . . . . . . . 3433 1 312 . 1 1 42 42 TRP HZ2 H 1 7.52 . . 1 . . . . . . . . 3433 1 313 . 1 1 42 42 TRP HZ3 H 1 6.92 . . 1 . . . . . . . . 3433 1 314 . 1 1 42 42 TRP HH2 H 1 7.41 . . 1 . . . . . . . . 3433 1 315 . 1 1 42 42 TRP N N 15 122.4 . . 1 . . . . . . . . 3433 1 316 . 1 1 43 43 TRP H H 1 9.28 . . 1 . . . . . . . . 3433 1 317 . 1 1 43 43 TRP HA H 1 5.6 . . 1 . . . . . . . . 3433 1 318 . 1 1 43 43 TRP HB2 H 1 2.99 . . 1 . . . . . . . . 3433 1 319 . 1 1 43 43 TRP HB3 H 1 3.1 . . 1 . . . . . . . . 3433 1 320 . 1 1 43 43 TRP NE1 N 15 130.6 . . 1 . . . . . . . . 3433 1 321 . 1 1 43 43 TRP HD1 H 1 7.25 . . 1 . . . . . . . . 3433 1 322 . 1 1 43 43 TRP HE1 H 1 9.76 . . 1 . . . . . . . . 3433 1 323 . 1 1 43 43 TRP HE3 H 1 6.9 . . 1 . . . . . . . . 3433 1 324 . 1 1 43 43 TRP HZ2 H 1 7.62 . . 1 . . . . . . . . 3433 1 325 . 1 1 43 43 TRP HZ3 H 1 5.99 . . 1 . . . . . . . . 3433 1 326 . 1 1 43 43 TRP HH2 H 1 7.18 . . 1 . . . . . . . . 3433 1 327 . 1 1 43 43 TRP N N 15 125.9 . . 1 . . . . . . . . 3433 1 328 . 1 1 44 44 LEU H H 1 8.99 . . 1 . . . . . . . . 3433 1 329 . 1 1 44 44 LEU HA H 1 4.15 . . 1 . . . . . . . . 3433 1 330 . 1 1 44 44 LEU HB2 H 1 1.23 . . 2 . . . . . . . . 3433 1 331 . 1 1 44 44 LEU HB3 H 1 1.03 . . 2 . . . . . . . . 3433 1 332 . 1 1 44 44 LEU HG H 1 1.14 . . 1 . . . . . . . . 3433 1 333 . 1 1 44 44 LEU HD11 H 1 .76 . . 2 . . . . . . . . 3433 1 334 . 1 1 44 44 LEU HD12 H 1 .76 . . 2 . . . . . . . . 3433 1 335 . 1 1 44 44 LEU HD13 H 1 .76 . . 2 . . . . . . . . 3433 1 336 . 1 1 44 44 LEU HD21 H 1 .27 . . 2 . . . . . . . . 3433 1 337 . 1 1 44 44 LEU HD22 H 1 .27 . . 2 . . . . . . . . 3433 1 338 . 1 1 44 44 LEU HD23 H 1 .27 . . 2 . . . . . . . . 3433 1 339 . 1 1 44 44 LEU N N 15 126.8 . . 1 . . . . . . . . 3433 1 340 . 1 1 45 45 ALA H H 1 9.25 . . 1 . . . . . . . . 3433 1 341 . 1 1 45 45 ALA HA H 1 5.48 . . 1 . . . . . . . . 3433 1 342 . 1 1 45 45 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 3433 1 343 . 1 1 45 45 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 3433 1 344 . 1 1 45 45 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 3433 1 345 . 1 1 45 45 ALA N N 15 132.7 . . 1 . . . . . . . . 3433 1 346 . 1 1 46 46 HIS H H 1 9.29 . . 1 . . . . . . . . 3433 1 347 . 1 1 46 46 HIS HA H 1 5.6 . . 1 . . . . . . . . 3433 1 348 . 1 1 46 46 HIS HB2 H 1 3.17 . . 1 . . . . . . . . 3433 1 349 . 1 1 46 46 HIS HB3 H 1 2.96 . . 1 . . . . . . . . 3433 1 350 . 1 1 46 46 HIS HD2 H 1 8.31 . . 1 . . . . . . . . 3433 1 351 . 1 1 46 46 HIS HE1 H 1 6.95 . . 1 . . . . . . . . 3433 1 352 . 1 1 46 46 HIS N N 15 119.1 . . 1 . . . . . . . . 3433 1 353 . 1 1 47 47 SER H H 1 8.99 . . 1 . . . . . . . . 3433 1 354 . 1 1 47 47 SER HA H 1 4.82 . . 1 . . . . . . . . 3433 1 355 . 1 1 47 47 SER HB2 H 1 4.15 . . 1 . . . . . . . . 3433 1 356 . 1 1 47 47 SER HB3 H 1 4.07 . . 1 . . . . . . . . 3433 1 357 . 1 1 47 47 SER N N 15 121.8 . . 1 . . . . . . . . 3433 1 358 . 1 1 48 48 LEU H H 1 8.99 . . 1 . . . . . . . . 3433 1 359 . 1 1 48 48 LEU HA H 1 4.39 . . 1 . . . . . . . . 3433 1 360 . 1 1 48 48 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 3433 1 361 . 1 1 48 48 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 3433 1 362 . 1 1 48 48 LEU HG H 1 1.8 . . 1 . . . . . . . . 3433 1 363 . 1 1 48 48 LEU HD11 H 1 1.03 . . 2 . . . . . . . . 3433 1 364 . 1 1 48 48 LEU HD12 H 1 1.03 . . 2 . . . . . . . . 3433 1 365 . 1 1 48 48 LEU HD13 H 1 1.03 . . 2 . . . . . . . . 3433 1 366 . 1 1 48 48 LEU HD21 H 1 .79 . . 2 . . . . . . . . 3433 1 367 . 1 1 48 48 LEU HD22 H 1 .79 . . 2 . . . . . . . . 3433 1 368 . 1 1 48 48 LEU HD23 H 1 .79 . . 2 . . . . . . . . 3433 1 369 . 1 1 48 48 LEU N N 15 131.3 . . 1 . . . . . . . . 3433 1 370 . 1 1 49 49 THR H H 1 8.51 . . 1 . . . . . . . . 3433 1 371 . 1 1 49 49 THR HA H 1 4.41 . . 1 . . . . . . . . 3433 1 372 . 1 1 49 49 THR HB H 1 4.1 . . 1 . . . . . . . . 3433 1 373 . 1 1 49 49 THR HG21 H 1 1.44 . . 1 . . . . . . . . 3433 1 374 . 1 1 49 49 THR HG22 H 1 1.44 . . 1 . . . . . . . . 3433 1 375 . 1 1 49 49 THR HG23 H 1 1.44 . . 1 . . . . . . . . 3433 1 376 . 1 1 49 49 THR N N 15 117.2 . . 1 . . . . . . . . 3433 1 377 . 1 1 50 50 THR H H 1 8.42 . . 1 . . . . . . . . 3433 1 378 . 1 1 50 50 THR HA H 1 4.6 . . 1 . . . . . . . . 3433 1 379 . 1 1 50 50 THR HB H 1 4.6 . . 1 . . . . . . . . 3433 1 380 . 1 1 50 50 THR HG21 H 1 1.43 . . 1 . . . . . . . . 3433 1 381 . 1 1 50 50 THR HG22 H 1 1.43 . . 1 . . . . . . . . 3433 1 382 . 1 1 50 50 THR HG23 H 1 1.43 . . 1 . . . . . . . . 3433 1 383 . 1 1 50 50 THR N N 15 110.3 . . 1 . . . . . . . . 3433 1 384 . 1 1 51 51 GLY H H 1 7.91 . . 1 . . . . . . . . 3433 1 385 . 1 1 51 51 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 3433 1 386 . 1 1 51 51 GLY HA3 H 1 4.37 . . 2 . . . . . . . . 3433 1 387 . 1 1 51 51 GLY N N 15 112.4 . . 1 . . . . . . . . 3433 1 388 . 1 1 52 52 GLN H H 1 7.61 . . 1 . . . . . . . . 3433 1 389 . 1 1 52 52 GLN HA H 1 4.63 . . 1 . . . . . . . . 3433 1 390 . 1 1 52 52 GLN HB2 H 1 2.03 . . 1 . . . . . . . . 3433 1 391 . 1 1 52 52 GLN HB3 H 1 2.3 . . 1 . . . . . . . . 3433 1 392 . 1 1 52 52 GLN HG2 H 1 2.53 . . 1 . . . . . . . . 3433 1 393 . 1 1 52 52 GLN HG3 H 1 2.53 . . 1 . . . . . . . . 3433 1 394 . 1 1 52 52 GLN NE2 N 15 113.5 . . 1 . . . . . . . . 3433 1 395 . 1 1 52 52 GLN HE21 H 1 7.59 . . 2 . . . . . . . . 3433 1 396 . 1 1 52 52 GLN HE22 H 1 7.06 . . 2 . . . . . . . . 3433 1 397 . 1 1 52 52 GLN N N 15 120.7 . . 1 . . . . . . . . 3433 1 398 . 1 1 53 53 THR H H 1 8.72 . . 1 . . . . . . . . 3433 1 399 . 1 1 53 53 THR HA H 1 5.8 . . 1 . . . . . . . . 3433 1 400 . 1 1 53 53 THR HB H 1 4.09 . . 1 . . . . . . . . 3433 1 401 . 1 1 53 53 THR HG21 H 1 1.24 . . 1 . . . . . . . . 3433 1 402 . 1 1 53 53 THR HG22 H 1 1.24 . . 1 . . . . . . . . 3433 1 403 . 1 1 53 53 THR HG23 H 1 1.24 . . 1 . . . . . . . . 3433 1 404 . 1 1 53 53 THR N N 15 118.8 . . 1 . . . . . . . . 3433 1 405 . 1 1 54 54 GLY H H 1 9.23 . . 1 . . . . . . . . 3433 1 406 . 1 1 54 54 GLY HA2 H 1 4.13 . . 1 . . . . . . . . 3433 1 407 . 1 1 54 54 GLY HA3 H 1 4.13 . . 1 . . . . . . . . 3433 1 408 . 1 1 54 54 GLY N N 15 114.2 . . 1 . . . . . . . . 3433 1 409 . 1 1 55 55 TYR H H 1 9.11 . . 1 . . . . . . . . 3433 1 410 . 1 1 55 55 TYR HA H 1 5.46 . . 1 . . . . . . . . 3433 1 411 . 1 1 55 55 TYR HB2 H 1 3.11 . . 1 . . . . . . . . 3433 1 412 . 1 1 55 55 TYR HB3 H 1 3.15 . . 1 . . . . . . . . 3433 1 413 . 1 1 55 55 TYR HD1 H 1 7.17 . . 1 . . . . . . . . 3433 1 414 . 1 1 55 55 TYR HD2 H 1 7.17 . . 1 . . . . . . . . 3433 1 415 . 1 1 55 55 TYR HE1 H 1 6.99 . . 1 . . . . . . . . 3433 1 416 . 1 1 55 55 TYR HE2 H 1 6.99 . . 1 . . . . . . . . 3433 1 417 . 1 1 55 55 TYR N N 15 121.4 . . 1 . . . . . . . . 3433 1 418 . 1 1 56 56 ILE H H 1 9.6 . . 1 . . . . . . . . 3433 1 419 . 1 1 56 56 ILE HA H 1 5.23 . . 1 . . . . . . . . 3433 1 420 . 1 1 56 56 ILE HB H 1 1.67 . . 1 . . . . . . . . 3433 1 421 . 1 1 56 56 ILE HG12 H 1 1.44 . . 2 . . . . . . . . 3433 1 422 . 1 1 56 56 ILE HG13 H 1 1.11 . . 2 . . . . . . . . 3433 1 423 . 1 1 56 56 ILE HG21 H 1 1.13 . . 1 . . . . . . . . 3433 1 424 . 1 1 56 56 ILE HG22 H 1 1.13 . . 1 . . . . . . . . 3433 1 425 . 1 1 56 56 ILE HG23 H 1 1.13 . . 1 . . . . . . . . 3433 1 426 . 1 1 56 56 ILE HD11 H 1 .48 . . 1 . . . . . . . . 3433 1 427 . 1 1 56 56 ILE HD12 H 1 .48 . . 1 . . . . . . . . 3433 1 428 . 1 1 56 56 ILE HD13 H 1 .48 . . 1 . . . . . . . . 3433 1 429 . 1 1 56 56 ILE N N 15 114.3 . . 1 . . . . . . . . 3433 1 430 . 1 1 57 57 PRO HA H 1 3.75 . . 1 . . . . . . . . 3433 1 431 . 1 1 57 57 PRO HB2 H 1 1.53 . . 2 . . . . . . . . 3433 1 432 . 1 1 57 57 PRO HB3 H 1 1.16 . . 2 . . . . . . . . 3433 1 433 . 1 1 57 57 PRO HG2 H 1 .89 . . 2 . . . . . . . . 3433 1 434 . 1 1 57 57 PRO HG3 H 1 .74 . . 2 . . . . . . . . 3433 1 435 . 1 1 57 57 PRO HD2 H 1 2.96 . . 2 . . . . . . . . 3433 1 436 . 1 1 57 57 PRO HD3 H 1 2.9 . . 2 . . . . . . . . 3433 1 437 . 1 1 58 58 SER H H 1 7.8 . . 1 . . . . . . . . 3433 1 438 . 1 1 58 58 SER HA H 1 2.66 . . 1 . . . . . . . . 3433 1 439 . 1 1 58 58 SER HB2 H 1 2.11 . . 1 . . . . . . . . 3433 1 440 . 1 1 58 58 SER HB3 H 1 1.76 . . 1 . . . . . . . . 3433 1 441 . 1 1 58 58 SER N N 15 121.1 . . 1 . . . . . . . . 3433 1 442 . 1 1 59 59 ASN H H 1 8.13 . . 1 . . . . . . . . 3433 1 443 . 1 1 59 59 ASN HA H 1 4.76 . . 1 . . . . . . . . 3433 1 444 . 1 1 59 59 ASN HB2 H 1 3.08 . . 2 . . . . . . . . 3433 1 445 . 1 1 59 59 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 3433 1 446 . 1 1 59 59 ASN ND2 N 15 113.3 . . 1 . . . . . . . . 3433 1 447 . 1 1 59 59 ASN HD21 H 1 7.59 . . 2 . . . . . . . . 3433 1 448 . 1 1 59 59 ASN HD22 H 1 6.79 . . 2 . . . . . . . . 3433 1 449 . 1 1 59 59 ASN N N 15 116.7 . . 1 . . . . . . . . 3433 1 450 . 1 1 60 60 TYR H H 1 8.04 . . 1 . . . . . . . . 3433 1 451 . 1 1 60 60 TYR HA H 1 4.85 . . 1 . . . . . . . . 3433 1 452 . 1 1 60 60 TYR HB2 H 1 3.74 . . 2 . . . . . . . . 3433 1 453 . 1 1 60 60 TYR HB3 H 1 3.49 . . 2 . . . . . . . . 3433 1 454 . 1 1 60 60 TYR HD1 H 1 7.26 . . 1 . . . . . . . . 3433 1 455 . 1 1 60 60 TYR HD2 H 1 7.26 . . 1 . . . . . . . . 3433 1 456 . 1 1 60 60 TYR HE1 H 1 7.08 . . 1 . . . . . . . . 3433 1 457 . 1 1 60 60 TYR HE2 H 1 7.08 . . 1 . . . . . . . . 3433 1 458 . 1 1 60 60 TYR N N 15 122.7 . . 1 . . . . . . . . 3433 1 459 . 1 1 61 61 VAL H H 1 7.28 . . 1 . . . . . . . . 3433 1 460 . 1 1 61 61 VAL HA H 1 5.53 . . 1 . . . . . . . . 3433 1 461 . 1 1 61 61 VAL HB H 1 2.24 . . 1 . . . . . . . . 3433 1 462 . 1 1 61 61 VAL HG11 H 1 .73 . . 1 . . . . . . . . 3433 1 463 . 1 1 61 61 VAL HG12 H 1 .73 . . 1 . . . . . . . . 3433 1 464 . 1 1 61 61 VAL HG13 H 1 .73 . . 1 . . . . . . . . 3433 1 465 . 1 1 61 61 VAL HG21 H 1 .56 . . 1 . . . . . . . . 3433 1 466 . 1 1 61 61 VAL HG22 H 1 .56 . . 1 . . . . . . . . 3433 1 467 . 1 1 61 61 VAL HG23 H 1 .56 . . 1 . . . . . . . . 3433 1 468 . 1 1 61 61 VAL N N 15 110.4 . . 1 . . . . . . . . 3433 1 469 . 1 1 62 62 ALA H H 1 8.92 . . 1 . . . . . . . . 3433 1 470 . 1 1 62 62 ALA HA H 1 5.21 . . 1 . . . . . . . . 3433 1 471 . 1 1 62 62 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 3433 1 472 . 1 1 62 62 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 3433 1 473 . 1 1 62 62 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 3433 1 474 . 1 1 62 62 ALA N N 15 124.2 . . 1 . . . . . . . . 3433 1 475 . 1 1 63 63 PRO HA H 1 3.69 . . 1 . . . . . . . . 3433 1 476 . 1 1 63 63 PRO HB2 H 1 2.03 . . 2 . . . . . . . . 3433 1 477 . 1 1 63 63 PRO HB3 H 1 1.91 . . 2 . . . . . . . . 3433 1 478 . 1 1 63 63 PRO HG2 H 1 2.18 . . 2 . . . . . . . . 3433 1 479 . 1 1 63 63 PRO HG3 H 1 1.3 . . 2 . . . . . . . . 3433 1 480 . 1 1 63 63 PRO HD2 H 1 3.8 . . 1 . . . . . . . . 3433 1 481 . 1 1 63 63 PRO HD3 H 1 3.8 . . 1 . . . . . . . . 3433 1 482 . 1 1 64 64 SER H H 1 7.93 . . 1 . . . . . . . . 3433 1 483 . 1 1 64 64 SER HA H 1 4.23 . . 1 . . . . . . . . 3433 1 484 . 1 1 64 64 SER HB2 H 1 3.83 . . 2 . . . . . . . . 3433 1 485 . 1 1 64 64 SER HB3 H 1 3.65 . . 2 . . . . . . . . 3433 1 486 . 1 1 64 64 SER N N 15 123.4 . . 1 . . . . . . . . 3433 1 stop_ save_