data_19319 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19319 _Entry.Title ; Solution structure of RasGRP2 EF hands bound to calcium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-24 _Entry.Accession_date 2013-06-24 _Entry.Last_release_date 2013-08-26 _Entry.Original_release_date 2013-08-26 _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 'NMR, 10 STRUCTURES' _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 John Kuriyan . . . 19319 2 Jeffrey Iwig . . . 19319 3 Yvonne Vercoulen . . . 19319 4 Rahul Das . . . 19319 5 Tiago Barros . . . 19319 6 Andre Limnander . . . 19319 7 Yan Che . . . 19319 8 Jeffrey Pelton . . . 19319 9 David Wemmer . . . 19319 10 Jeroen Roose . . . 19319 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19319 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'EF hand' . 19319 protein . 19319 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19319 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 19319 '15N chemical shifts' 77 19319 '1H chemical shifts' 386 19319 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 . . 2013-08-26 2013-06-24 original author . 19319 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MA2 'BMRB Entry Tracking System' 19319 PDB 4L9M . 19319 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19319 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23908768 _Citation.Full_citation . _Citation.Title 'Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _Citation.Journal_name_full . _Citation.Journal_volume 2 _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 e00813 _Citation.Page_last e00813 _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 Jeffrey Iwig . . . 19319 1 2 Yvonne Vercoulen . . . 19319 1 3 Rahul Das . . . 19319 1 4 Tiago Barros . . . 19319 1 5 Andre Limnander . . . 19319 1 6 Yan Che . . . 19319 1 7 Jeffrey Pelton . . . 19319 1 8 David Wemmer . . . 19319 1 9 Jeroen Roose . . . 19319 1 10 John Kuriyan . . . 19319 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19319 _Assembly.ID 1 _Assembly.Name 'RasGRP2 EF hands bound to calcium' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'RasGRP2 EF hands' 1 $RasGRP2 A . yes native no no . . . 19319 1 2 'calcium ion' 2 $entity_CA B . no native no no . . . 19319 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RasGRP2 _Entity.Sf_category entity _Entity.Sf_framecode RasGRP2 _Entity.Entry_ID 19319 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RasGRP2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KLDQALVVEHIEKMVESVFR NFDVDGDGHISQEEFQIIRG NFPYLSAFGDLDQNQDGCIS REEMVSYFLRSSSVLGGRMG F ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18412.633 _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 PDB 2MA2 . "Solution Structure Of Rasgrp2 Ef Hands Bound To Calcium" . . . . . 100.00 81 100.00 100.00 3.03e-50 . . . . 19319 1 2 no DBJ BAC28797 . "unnamed protein product [Mus musculus]" . . . . . 67.90 262 98.18 98.18 1.42e-30 . . . . 19319 1 3 no DBJ BAG37199 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 609 98.77 100.00 6.96e-49 . . . . 19319 1 4 no DBJ BAG52620 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 610 100.00 100.00 1.57e-49 . . . . 19319 1 5 no DBJ BAG53672 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 464 100.00 100.00 3.57e-50 . . . . 19319 1 6 no DBJ BAJ21074 . "RAS guanyl releasing protein 2 [synthetic construct]" . . . . . 100.00 609 100.00 100.00 1.70e-49 . . . . 19319 1 7 no EMBL CAA73005 . "F25B3.3 kinase like protein [Homo sapiens]" . . . . . 100.00 609 100.00 100.00 1.70e-49 . . . . 19319 1 8 no EMBL CAA73008 . "F25B3.3 kinase like protein [Mus musculus]" . . . . . 100.00 260 97.53 98.77 1.95e-49 . . . . 19319 1 9 no GB AAC79697 . "calcium and DAG-regulated guanine nucleotide exchange factor I [Mus musculus]" . . . . . 100.00 608 97.53 98.77 9.43e-49 . . . . 19319 1 10 no GB AAC79698 . "calcium and DAG-regulated guanine nucleotide exchange factor I [Homo sapiens]" . . . . . 100.00 609 100.00 100.00 1.70e-49 . . . . 19319 1 11 no GB AAD12741 . "calcium- and diacylglycerol-regulated guanine nucleotide exchange factor I [Homo sapiens]" . . . . . 100.00 609 100.00 100.00 1.70e-49 . . . . 19319 1 12 no GB AAD12742 . "calcium- and diacylglycerol-regulated guanine nucleotide exchange factor I [Mus musculus]" . . . . . 100.00 608 97.53 98.77 9.43e-49 . . . . 19319 1 13 no GB AAF07219 . "guanine exchange factor MCG7 isoform 1 [Homo sapiens]" . . . . . 100.00 671 100.00 100.00 2.22e-49 . . . . 19319 1 14 no REF NP_001076446 . "RAS guanyl-releasing protein 2 [Rattus norvegicus]" . . . . . 100.00 608 97.53 98.77 1.09e-48 . . . . 19319 1 15 no REF NP_001092140 . "RAS guanyl-releasing protein 2 [Homo sapiens]" . . . . . 100.00 609 100.00 100.00 1.70e-49 . . . . 19319 1 16 no REF NP_001092141 . "RAS guanyl-releasing protein 2 [Homo sapiens]" . . . . . 100.00 609 100.00 100.00 1.70e-49 . . . . 19319 1 17 no REF NP_001162561 . "RAS guanyl-releasing protein 2 [Papio anubis]" . . . . . 100.00 619 100.00 100.00 1.19e-49 . . . . 19319 1 18 no REF NP_001164963 . "RAS guanyl-releasing protein 2 [Oryctolagus cuniculus]" . . . . . 100.00 609 100.00 100.00 1.10e-49 . . . . 19319 1 19 no SP P0C643 . "RecName: Full=RAS guanyl-releasing protein 2; AltName: Full=Calcium and DAG-regulated guanine nucleotide exchange factor I; Sho" . . . . . 100.00 608 97.53 98.77 1.09e-48 . . . . 19319 1 20 no SP Q7LDG7 . "RecName: Full=RAS guanyl-releasing protein 2; AltName: Full=Calcium and DAG-regulated guanine nucleotide exchange factor I; Sho" . . . . . 100.00 609 100.00 100.00 1.70e-49 . . . . 19319 1 21 no SP Q9QUG9 . "RecName: Full=RAS guanyl-releasing protein 2; AltName: Full=Calcium and DAG-regulated guanine nucleotide exchange factor I; Sho" . . . . . 100.00 608 97.53 98.77 1.34e-48 . . . . 19319 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 1 417 LYS . 19319 1 2 418 LEU . 19319 1 3 419 ASP . 19319 1 4 420 GLN . 19319 1 5 421 ALA . 19319 1 6 422 LEU . 19319 1 7 423 VAL . 19319 1 8 424 VAL . 19319 1 9 425 GLU . 19319 1 10 426 HIS . 19319 1 11 427 ILE . 19319 1 12 428 GLU . 19319 1 13 429 LYS . 19319 1 14 430 MET . 19319 1 15 431 VAL . 19319 1 16 432 GLU . 19319 1 17 433 SER . 19319 1 18 434 VAL . 19319 1 19 435 PHE . 19319 1 20 436 ARG . 19319 1 21 437 ASN . 19319 1 22 438 PHE . 19319 1 23 439 ASP . 19319 1 24 440 VAL . 19319 1 25 441 ASP . 19319 1 26 442 GLY . 19319 1 27 443 ASP . 19319 1 28 444 GLY . 19319 1 29 445 HIS . 19319 1 30 446 ILE . 19319 1 31 447 SER . 19319 1 32 448 GLN . 19319 1 33 449 GLU . 19319 1 34 450 GLU . 19319 1 35 451 PHE . 19319 1 36 452 GLN . 19319 1 37 453 ILE . 19319 1 38 454 ILE . 19319 1 39 455 ARG . 19319 1 40 456 GLY . 19319 1 41 457 ASN . 19319 1 42 458 PHE . 19319 1 43 459 PRO . 19319 1 44 460 TYR . 19319 1 45 461 LEU . 19319 1 46 462 SER . 19319 1 47 463 ALA . 19319 1 48 464 PHE . 19319 1 49 465 GLY . 19319 1 50 466 ASP . 19319 1 51 467 LEU . 19319 1 52 468 ASP . 19319 1 53 469 GLN . 19319 1 54 470 ASN . 19319 1 55 471 GLN . 19319 1 56 472 ASP . 19319 1 57 473 GLY . 19319 1 58 474 CYS . 19319 1 59 475 ILE . 19319 1 60 476 SER . 19319 1 61 477 ARG . 19319 1 62 478 GLU . 19319 1 63 479 GLU . 19319 1 64 480 MET . 19319 1 65 481 VAL . 19319 1 66 482 SER . 19319 1 67 483 TYR . 19319 1 68 484 PHE . 19319 1 69 485 LEU . 19319 1 70 486 ARG . 19319 1 71 487 SER . 19319 1 72 488 SER . 19319 1 73 489 SER . 19319 1 74 490 VAL . 19319 1 75 491 LEU . 19319 1 76 492 GLY . 19319 1 77 493 GLY . 19319 1 78 494 ARG . 19319 1 79 495 MET . 19319 1 80 496 GLY . 19319 1 81 497 PHE . 19319 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 . LYS 1 1 19319 1 . LEU 2 2 19319 1 . ASP 3 3 19319 1 . GLN 4 4 19319 1 . ALA 5 5 19319 1 . LEU 6 6 19319 1 . VAL 7 7 19319 1 . VAL 8 8 19319 1 . GLU 9 9 19319 1 . HIS 10 10 19319 1 . ILE 11 11 19319 1 . GLU 12 12 19319 1 . LYS 13 13 19319 1 . MET 14 14 19319 1 . VAL 15 15 19319 1 . GLU 16 16 19319 1 . SER 17 17 19319 1 . VAL 18 18 19319 1 . PHE 19 19 19319 1 . ARG 20 20 19319 1 . ASN 21 21 19319 1 . PHE 22 22 19319 1 . ASP 23 23 19319 1 . VAL 24 24 19319 1 . ASP 25 25 19319 1 . GLY 26 26 19319 1 . ASP 27 27 19319 1 . GLY 28 28 19319 1 . HIS 29 29 19319 1 . ILE 30 30 19319 1 . SER 31 31 19319 1 . GLN 32 32 19319 1 . GLU 33 33 19319 1 . GLU 34 34 19319 1 . PHE 35 35 19319 1 . GLN 36 36 19319 1 . ILE 37 37 19319 1 . ILE 38 38 19319 1 . ARG 39 39 19319 1 . GLY 40 40 19319 1 . ASN 41 41 19319 1 . PHE 42 42 19319 1 . PRO 43 43 19319 1 . TYR 44 44 19319 1 . LEU 45 45 19319 1 . SER 46 46 19319 1 . ALA 47 47 19319 1 . PHE 48 48 19319 1 . GLY 49 49 19319 1 . ASP 50 50 19319 1 . LEU 51 51 19319 1 . ASP 52 52 19319 1 . GLN 53 53 19319 1 . ASN 54 54 19319 1 . GLN 55 55 19319 1 . ASP 56 56 19319 1 . GLY 57 57 19319 1 . CYS 58 58 19319 1 . ILE 59 59 19319 1 . SER 60 60 19319 1 . ARG 61 61 19319 1 . GLU 62 62 19319 1 . GLU 63 63 19319 1 . MET 64 64 19319 1 . VAL 65 65 19319 1 . SER 66 66 19319 1 . TYR 67 67 19319 1 . PHE 68 68 19319 1 . LEU 69 69 19319 1 . ARG 70 70 19319 1 . SER 71 71 19319 1 . SER 72 72 19319 1 . SER 73 73 19319 1 . VAL 74 74 19319 1 . LEU 75 75 19319 1 . GLY 76 76 19319 1 . GLY 77 77 19319 1 . ARG 78 78 19319 1 . MET 79 79 19319 1 . GLY 80 80 19319 1 . PHE 81 81 19319 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 19319 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 19319 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 19319 2 CA 'Three letter code' 19319 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 19319 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 19319 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19319 _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 $RasGRP2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19319 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 19319 _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 $RasGRP2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pSMT3 . . . . . . 19319 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 19319 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 19319 CA [Ca++] SMILES CACTVS 3.341 19319 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 19319 CA [Ca+2] SMILES ACDLabs 10.04 19319 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 19319 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19319 CA InChI=1S/Ca/q+2 InChI InChI 1.03 19319 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 19319 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19319 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19319 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19319 _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 RasGRP2 '[U-99% 13C; U-99% 15N]' . . 1 $RasGRP2 . . 500 . . uM . . . . 19319 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 19319 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19319 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 19319 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19319 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19319 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19319 _Sample.ID 2 _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 RasGRP2 '[U-99% 13C; U-99% 15N]' . . 1 $RasGRP2 . . 500 . . uM . . . . 19319 2 2 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 19319 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19319 2 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 19319 2 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19319 2 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19319 2 7 'Pf1 phage' 'natural abundance' . . . . . . 17 . . mg/mL . . . . 19319 2 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 19319 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.125 . M 19319 1 pH 7.0 . pH 19319 1 pressure 1 . atm 19319 1 temperature 304 . K 19319 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19319 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19319 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19319 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19319 _Software.ID 2 _Software.Name NMRDraw _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' . . 19319 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19319 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19319 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19319 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19319 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19319 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19319 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19319 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19319 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19319 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19319 5 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 19319 _Software.ID 6 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zweckstetter M & Bax A' . . 19319 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19319 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19319 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19319 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19319 7 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 19319 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19319 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19319 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 19319 _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 . . . . . . . . . . . . . . . . 19319 1 2 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 4 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 6 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 7 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 8 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 10 '2D 1H-15N HSQC IPAP' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 11 '2D HN(CO)CA IPAP' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 12 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 13 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 1 14 '3D 1H-15N HSQC NOE 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19319 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 19319 _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 19319 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19319 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19319 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19319 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 19319 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.20 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _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' . . . 19319 1 2 '2D 1H-13C HSQC aromatic' . . . 19319 1 3 '3D CBCA(CO)NH' . . . 19319 1 4 '3D C(CO)NH' . . . 19319 1 5 '3D HNCO' . . . 19319 1 6 '3D HNCACB' . . . 19319 1 7 '3D HNHA' . . . 19319 1 8 '2D 1H-13C HSQC' . . . 19319 1 9 '3D H(CCO)NH' . . . 19319 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 LYS C C 13 176.674 0.200 . 1 . . . A 417 LYS C . 19319 1 2 . 1 1 1 1 LYS CA C 13 56.898 0.170 . 1 . . . A 417 LYS CA . 19319 1 3 . 1 1 1 1 LYS CB C 13 33.131 0.111 . 1 . . . A 417 LYS CB . 19319 1 4 . 1 1 1 1 LYS CG C 13 24.895 0.200 . 1 . . . A 417 LYS CG . 19319 1 5 . 1 1 1 1 LYS CD C 13 29.211 0.200 . 1 . . . A 417 LYS CD . 19319 1 6 . 1 1 1 1 LYS CE C 13 42.304 0.200 . 1 . . . A 417 LYS CE . 19319 1 7 . 1 1 2 2 LEU H H 1 8.269 0.018 . 1 . . . A 418 LEU H . 19319 1 8 . 1 1 2 2 LEU HA H 1 4.333 0.015 . 1 . . . A 418 LEU HA . 19319 1 9 . 1 1 2 2 LEU HG H 1 1.617 0.050 . 1 . . . A 418 LEU HG . 19319 1 10 . 1 1 2 2 LEU HD11 H 1 0.901 0.050 . 2 . . . A 418 LEU HD11 . 19319 1 11 . 1 1 2 2 LEU HD12 H 1 0.901 0.050 . 2 . . . A 418 LEU HD12 . 19319 1 12 . 1 1 2 2 LEU HD13 H 1 0.901 0.050 . 2 . . . A 418 LEU HD13 . 19319 1 13 . 1 1 2 2 LEU C C 13 176.986 0.200 . 1 . . . A 418 LEU C . 19319 1 14 . 1 1 2 2 LEU CA C 13 55.626 0.100 . 1 . . . A 418 LEU CA . 19319 1 15 . 1 1 2 2 LEU CB C 13 42.555 0.005 . 1 . . . A 418 LEU CB . 19319 1 16 . 1 1 2 2 LEU CG C 13 27.180 0.200 . 1 . . . A 418 LEU CG . 19319 1 17 . 1 1 2 2 LEU CD1 C 13 24.860 0.200 . 1 . . . A 418 LEU CD1 . 19319 1 18 . 1 1 2 2 LEU CD2 C 13 23.958 0.200 . 1 . . . A 418 LEU CD2 . 19319 1 19 . 1 1 2 2 LEU N N 15 123.052 0.110 . 1 . . . A 418 LEU N . 19319 1 20 . 1 1 3 3 ASP H H 1 8.158 0.011 . 1 . . . A 419 ASP H . 19319 1 21 . 1 1 3 3 ASP HA H 1 4.548 0.014 . 1 . . . A 419 ASP HA . 19319 1 22 . 1 1 3 3 ASP HB3 H 1 2.747 0.050 . 2 . . . A 419 ASP HB3 . 19319 1 23 . 1 1 3 3 ASP C C 13 176.934 0.200 . 1 . . . A 419 ASP C . 19319 1 24 . 1 1 3 3 ASP CA C 13 54.872 0.108 . 1 . . . A 419 ASP CA . 19319 1 25 . 1 1 3 3 ASP CB C 13 41.483 0.019 . 1 . . . A 419 ASP CB . 19319 1 26 . 1 1 3 3 ASP N N 15 121.376 0.058 . 1 . . . A 419 ASP N . 19319 1 27 . 1 1 4 4 GLN H H 1 8.341 0.016 . 1 . . . A 420 GLN H . 19319 1 28 . 1 1 4 4 GLN HA H 1 4.176 0.005 . 1 . . . A 420 GLN HA . 19319 1 29 . 1 1 4 4 GLN HG3 H 1 2.438 0.050 . 2 . . . A 420 GLN HG3 . 19319 1 30 . 1 1 4 4 GLN C C 13 176.695 0.200 . 1 . . . A 420 GLN C . 19319 1 31 . 1 1 4 4 GLN CA C 13 57.549 0.050 . 1 . . . A 420 GLN CA . 19319 1 32 . 1 1 4 4 GLN CB C 13 29.019 0.016 . 1 . . . A 420 GLN CB . 19319 1 33 . 1 1 4 4 GLN CG C 13 33.864 0.200 . 1 . . . A 420 GLN CG . 19319 1 34 . 1 1 4 4 GLN N N 15 121.820 0.106 . 1 . . . A 420 GLN N . 19319 1 35 . 1 1 5 5 ALA H H 1 8.261 0.011 . 1 . . . A 421 ALA H . 19319 1 36 . 1 1 5 5 ALA HA H 1 4.196 0.027 . 1 . . . A 421 ALA HA . 19319 1 37 . 1 1 5 5 ALA HB1 H 1 1.483 0.013 . 1 . . . A 421 ALA HB1 . 19319 1 38 . 1 1 5 5 ALA HB2 H 1 1.483 0.013 . 1 . . . A 421 ALA HB2 . 19319 1 39 . 1 1 5 5 ALA HB3 H 1 1.483 0.013 . 1 . . . A 421 ALA HB3 . 19319 1 40 . 1 1 5 5 ALA C C 13 179.531 0.200 . 1 . . . A 421 ALA C . 19319 1 41 . 1 1 5 5 ALA CA C 13 54.440 0.070 . 1 . . . A 421 ALA CA . 19319 1 42 . 1 1 5 5 ALA CB C 13 18.732 0.142 . 1 . . . A 421 ALA CB . 19319 1 43 . 1 1 5 5 ALA N N 15 122.263 0.109 . 1 . . . A 421 ALA N . 19319 1 44 . 1 1 6 6 LEU H H 1 7.864 0.014 . 1 . . . A 422 LEU H . 19319 1 45 . 1 1 6 6 LEU HA H 1 4.256 0.033 . 1 . . . A 422 LEU HA . 19319 1 46 . 1 1 6 6 LEU HB3 H 1 1.801 0.050 . 2 . . . A 422 LEU HB3 . 19319 1 47 . 1 1 6 6 LEU HG H 1 1.662 0.050 . 1 . . . A 422 LEU HG . 19319 1 48 . 1 1 6 6 LEU HD11 H 1 0.950 0.050 . 2 . . . A 422 LEU HD11 . 19319 1 49 . 1 1 6 6 LEU HD12 H 1 0.950 0.050 . 2 . . . A 422 LEU HD12 . 19319 1 50 . 1 1 6 6 LEU HD13 H 1 0.950 0.050 . 2 . . . A 422 LEU HD13 . 19319 1 51 . 1 1 6 6 LEU C C 13 178.676 0.200 . 1 . . . A 422 LEU C . 19319 1 52 . 1 1 6 6 LEU CA C 13 56.796 0.064 . 1 . . . A 422 LEU CA . 19319 1 53 . 1 1 6 6 LEU CB C 13 42.181 0.016 . 1 . . . A 422 LEU CB . 19319 1 54 . 1 1 6 6 LEU CG C 13 27.316 0.200 . 1 . . . A 422 LEU CG . 19319 1 55 . 1 1 6 6 LEU CD1 C 13 25.115 0.200 . 2 . . . A 422 LEU CD1 . 19319 1 56 . 1 1 6 6 LEU CD2 C 13 23.876 0.200 . 2 . . . A 422 LEU CD2 . 19319 1 57 . 1 1 6 6 LEU N N 15 119.093 0.061 . 1 . . . A 422 LEU N . 19319 1 58 . 1 1 7 7 VAL H H 1 7.737 0.009 . 1 . . . A 423 VAL H . 19319 1 59 . 1 1 7 7 VAL HA H 1 3.833 0.036 . 1 . . . A 423 VAL HA . 19319 1 60 . 1 1 7 7 VAL HB H 1 2.220 0.050 . 1 . . . A 423 VAL HB . 19319 1 61 . 1 1 7 7 VAL HG11 H 1 1.011 0.050 . 2 . . . A 423 VAL HG11 . 19319 1 62 . 1 1 7 7 VAL HG12 H 1 1.011 0.050 . 2 . . . A 423 VAL HG12 . 19319 1 63 . 1 1 7 7 VAL HG13 H 1 1.011 0.050 . 2 . . . A 423 VAL HG13 . 19319 1 64 . 1 1 7 7 VAL C C 13 177.630 0.200 . 1 . . . A 423 VAL C . 19319 1 65 . 1 1 7 7 VAL CA C 13 65.389 0.121 . 1 . . . A 423 VAL CA . 19319 1 66 . 1 1 7 7 VAL CB C 13 32.144 0.088 . 1 . . . A 423 VAL CB . 19319 1 67 . 1 1 7 7 VAL CG1 C 13 22.183 0.200 . 2 . . . A 423 VAL CG1 . 19319 1 68 . 1 1 7 7 VAL CG2 C 13 21.209 0.200 . 2 . . . A 423 VAL CG2 . 19319 1 69 . 1 1 7 7 VAL N N 15 120.494 0.147 . 1 . . . A 423 VAL N . 19319 1 70 . 1 1 8 8 VAL H H 1 8.046 0.011 . 1 . . . A 424 VAL H . 19319 1 71 . 1 1 8 8 VAL HA H 1 3.608 0.034 . 1 . . . A 424 VAL HA . 19319 1 72 . 1 1 8 8 VAL HB H 1 2.164 0.050 . 1 . . . A 424 VAL HB . 19319 1 73 . 1 1 8 8 VAL HG11 H 1 1.099 0.050 . 2 . . . A 424 VAL HG11 . 19319 1 74 . 1 1 8 8 VAL HG12 H 1 1.099 0.050 . 2 . . . A 424 VAL HG12 . 19319 1 75 . 1 1 8 8 VAL HG13 H 1 1.099 0.050 . 2 . . . A 424 VAL HG13 . 19319 1 76 . 1 1 8 8 VAL HG21 H 1 1.018 0.050 . 2 . . . A 424 VAL HG21 . 19319 1 77 . 1 1 8 8 VAL HG22 H 1 1.018 0.050 . 2 . . . A 424 VAL HG22 . 19319 1 78 . 1 1 8 8 VAL HG23 H 1 1.018 0.050 . 2 . . . A 424 VAL HG23 . 19319 1 79 . 1 1 8 8 VAL C C 13 177.370 0.200 . 1 . . . A 424 VAL C . 19319 1 80 . 1 1 8 8 VAL CA C 13 66.814 0.084 . 1 . . . A 424 VAL CA . 19319 1 81 . 1 1 8 8 VAL CB C 13 31.918 0.082 . 1 . . . A 424 VAL CB . 19319 1 82 . 1 1 8 8 VAL CG1 C 13 22.960 0.200 . 2 . . . A 424 VAL CG1 . 19319 1 83 . 1 1 8 8 VAL CG2 C 13 21.284 0.200 . 2 . . . A 424 VAL CG2 . 19319 1 84 . 1 1 8 8 VAL N N 15 120.316 0.060 . 1 . . . A 424 VAL N . 19319 1 85 . 1 1 9 9 GLU H H 1 8.067 0.008 . 1 . . . A 425 GLU H . 19319 1 86 . 1 1 9 9 GLU HA H 1 4.132 0.010 . 1 . . . A 425 GLU HA . 19319 1 87 . 1 1 9 9 GLU HB3 H 1 2.245 0.050 . 2 . . . A 425 GLU HB3 . 19319 1 88 . 1 1 9 9 GLU HG3 H 1 2.387 0.050 . 2 . . . A 425 GLU HG3 . 19319 1 89 . 1 1 9 9 GLU C C 13 178.750 0.000 . 1 . . . A 425 GLU C . 19319 1 90 . 1 1 9 9 GLU CA C 13 59.845 0.048 . 1 . . . A 425 GLU CA . 19319 1 91 . 1 1 9 9 GLU CB C 13 29.765 0.200 . 1 . . . A 425 GLU CB . 19319 1 92 . 1 1 9 9 GLU CG C 13 36.543 0.200 . 1 . . . A 425 GLU CG . 19319 1 93 . 1 1 9 9 GLU N N 15 119.932 0.082 . 1 . . . A 425 GLU N . 19319 1 94 . 1 1 10 10 HIS H H 1 8.001 0.016 . 1 . . . A 426 HIS H . 19319 1 95 . 1 1 10 10 HIS HA H 1 4.399 0.010 . 1 . . . A 426 HIS HA . 19319 1 96 . 1 1 10 10 HIS HB3 H 1 3.264 0.022 . 2 . . . A 426 HIS HB3 . 19319 1 97 . 1 1 10 10 HIS C C 13 178.250 0.200 . 1 . . . A 426 HIS C . 19319 1 98 . 1 1 10 10 HIS CA C 13 59.312 0.057 . 1 . . . A 426 HIS CA . 19319 1 99 . 1 1 10 10 HIS CB C 13 30.588 0.050 . 1 . . . A 426 HIS CB . 19319 1 100 . 1 1 10 10 HIS N N 15 118.098 0.049 . 1 . . . A 426 HIS N . 19319 1 101 . 1 1 11 11 ILE H H 1 8.253 0.018 . 1 . . . A 427 ILE H . 19319 1 102 . 1 1 11 11 ILE HA H 1 3.598 0.031 . 1 . . . A 427 ILE HA . 19319 1 103 . 1 1 11 11 ILE HB H 1 2.151 0.050 . 1 . . . A 427 ILE HB . 19319 1 104 . 1 1 11 11 ILE HG13 H 1 1.085 0.020 . 2 . . . A 427 ILE HG13 . 19319 1 105 . 1 1 11 11 ILE HD11 H 1 0.824 0.021 . 1 . . . A 427 ILE HD11 . 19319 1 106 . 1 1 11 11 ILE HD12 H 1 0.824 0.021 . 1 . . . A 427 ILE HD12 . 19319 1 107 . 1 1 11 11 ILE HD13 H 1 0.824 0.021 . 1 . . . A 427 ILE HD13 . 19319 1 108 . 1 1 11 11 ILE C C 13 177.783 0.200 . 1 . . . A 427 ILE C . 19319 1 109 . 1 1 11 11 ILE CA C 13 65.077 0.086 . 1 . . . A 427 ILE CA . 19319 1 110 . 1 1 11 11 ILE CB C 13 37.551 0.115 . 1 . . . A 427 ILE CB . 19319 1 111 . 1 1 11 11 ILE CG2 C 13 19.412 0.049 . 1 . . . A 427 ILE CG2 . 19319 1 112 . 1 1 11 11 ILE CD1 C 13 13.020 0.145 . 1 . . . A 427 ILE CD1 . 19319 1 113 . 1 1 11 11 ILE N N 15 121.021 0.093 . 1 . . . A 427 ILE N . 19319 1 114 . 1 1 12 12 GLU H H 1 8.875 0.016 . 1 . . . A 428 GLU H . 19319 1 115 . 1 1 12 12 GLU HA H 1 3.825 0.019 . 1 . . . A 428 GLU HA . 19319 1 116 . 1 1 12 12 GLU HB3 H 1 2.212 0.050 . 2 . . . A 428 GLU HB3 . 19319 1 117 . 1 1 12 12 GLU HG3 H 1 2.529 0.050 . 2 . . . A 428 GLU HG3 . 19319 1 118 . 1 1 12 12 GLU C C 13 179.643 0.200 . 1 . . . A 428 GLU C . 19319 1 119 . 1 1 12 12 GLU CA C 13 60.849 0.087 . 1 . . . A 428 GLU CA . 19319 1 120 . 1 1 12 12 GLU CB C 13 29.625 0.094 . 1 . . . A 428 GLU CB . 19319 1 121 . 1 1 12 12 GLU CG C 13 37.107 0.200 . 1 . . . A 428 GLU CG . 19319 1 122 . 1 1 12 12 GLU N N 15 120.313 0.075 . 1 . . . A 428 GLU N . 19319 1 123 . 1 1 13 13 LYS H H 1 7.935 0.011 . 1 . . . A 429 LYS H . 19319 1 124 . 1 1 13 13 LYS HA H 1 4.106 0.021 . 1 . . . A 429 LYS HA . 19319 1 125 . 1 1 13 13 LYS HB3 H 1 1.950 0.050 . 2 . . . A 429 LYS HB3 . 19319 1 126 . 1 1 13 13 LYS HG3 H 1 1.718 0.050 . 2 . . . A 429 LYS HG3 . 19319 1 127 . 1 1 13 13 LYS HD3 H 1 1.552 0.050 . 2 . . . A 429 LYS HD3 . 19319 1 128 . 1 1 13 13 LYS HE3 H 1 3.003 0.050 . 2 . . . A 429 LYS HE3 . 19319 1 129 . 1 1 13 13 LYS C C 13 179.481 0.200 . 1 . . . A 429 LYS C . 19319 1 130 . 1 1 13 13 LYS CA C 13 59.398 0.022 . 1 . . . A 429 LYS CA . 19319 1 131 . 1 1 13 13 LYS CB C 13 32.418 0.061 . 1 . . . A 429 LYS CB . 19319 1 132 . 1 1 13 13 LYS CE C 13 42.334 0.200 . 1 . . . A 429 LYS CE . 19319 1 133 . 1 1 13 13 LYS N N 15 118.914 0.087 . 1 . . . A 429 LYS N . 19319 1 134 . 1 1 14 14 MET H H 1 8.064 0.010 . 1 . . . A 430 MET H . 19319 1 135 . 1 1 14 14 MET HA H 1 4.169 0.021 . 1 . . . A 430 MET HA . 19319 1 136 . 1 1 14 14 MET HB3 H 1 2.249 0.050 . 2 . . . A 430 MET HB3 . 19319 1 137 . 1 1 14 14 MET C C 13 178.777 0.200 . 1 . . . A 430 MET C . 19319 1 138 . 1 1 14 14 MET CA C 13 58.973 0.046 . 1 . . . A 430 MET CA . 19319 1 139 . 1 1 14 14 MET CB C 13 32.650 0.010 . 1 . . . A 430 MET CB . 19319 1 140 . 1 1 14 14 MET CG C 13 31.609 0.200 . 1 . . . A 430 MET CG . 19319 1 141 . 1 1 14 14 MET N N 15 122.087 0.070 . 1 . . . A 430 MET N . 19319 1 142 . 1 1 15 15 VAL H H 1 8.811 0.017 . 1 . . . A 431 VAL H . 19319 1 143 . 1 1 15 15 VAL HA H 1 3.627 0.012 . 1 . . . A 431 VAL HA . 19319 1 144 . 1 1 15 15 VAL HB H 1 2.215 0.050 . 1 . . . A 431 VAL HB . 19319 1 145 . 1 1 15 15 VAL HG11 H 1 1.117 0.035 . 2 . . . A 431 VAL HG11 . 19319 1 146 . 1 1 15 15 VAL HG12 H 1 1.117 0.035 . 2 . . . A 431 VAL HG12 . 19319 1 147 . 1 1 15 15 VAL HG13 H 1 1.117 0.035 . 2 . . . A 431 VAL HG13 . 19319 1 148 . 1 1 15 15 VAL C C 13 177.704 0.200 . 1 . . . A 431 VAL C . 19319 1 149 . 1 1 15 15 VAL CA C 13 67.710 0.088 . 1 . . . A 431 VAL CA . 19319 1 150 . 1 1 15 15 VAL CB C 13 31.377 0.047 . 1 . . . A 431 VAL CB . 19319 1 151 . 1 1 15 15 VAL CG1 C 13 24.738 0.053 . 2 . . . A 431 VAL CG1 . 19319 1 152 . 1 1 15 15 VAL CG2 C 13 22.602 0.061 . 2 . . . A 431 VAL CG2 . 19319 1 153 . 1 1 15 15 VAL N N 15 120.613 0.111 . 1 . . . A 431 VAL N . 19319 1 154 . 1 1 16 16 GLU H H 1 8.360 0.012 . 1 . . . A 432 GLU H . 19319 1 155 . 1 1 16 16 GLU HA H 1 4.101 0.024 . 1 . . . A 432 GLU HA . 19319 1 156 . 1 1 16 16 GLU HG3 H 1 2.363 0.012 . 2 . . . A 432 GLU HG3 . 19319 1 157 . 1 1 16 16 GLU C C 13 179.062 0.200 . 1 . . . A 432 GLU C . 19319 1 158 . 1 1 16 16 GLU CA C 13 59.981 0.016 . 1 . . . A 432 GLU CA . 19319 1 159 . 1 1 16 16 GLU CB C 13 29.408 0.060 . 1 . . . A 432 GLU CB . 19319 1 160 . 1 1 16 16 GLU CG C 13 35.802 0.045 . 1 . . . A 432 GLU CG . 19319 1 161 . 1 1 16 16 GLU N N 15 120.627 0.127 . 1 . . . A 432 GLU N . 19319 1 162 . 1 1 17 17 SER H H 1 7.844 0.009 . 1 . . . A 433 SER H . 19319 1 163 . 1 1 17 17 SER HA H 1 4.273 0.017 . 1 . . . A 433 SER HA . 19319 1 164 . 1 1 17 17 SER C C 13 176.749 0.200 . 1 . . . A 433 SER C . 19319 1 165 . 1 1 17 17 SER CA C 13 61.815 0.103 . 1 . . . A 433 SER CA . 19319 1 166 . 1 1 17 17 SER CB C 13 63.063 0.003 . 1 . . . A 433 SER CB . 19319 1 167 . 1 1 17 17 SER N N 15 114.525 0.084 . 1 . . . A 433 SER N . 19319 1 168 . 1 1 18 18 VAL H H 1 8.386 0.026 . 1 . . . A 434 VAL H . 19319 1 169 . 1 1 18 18 VAL HA H 1 4.004 0.010 . 1 . . . A 434 VAL HA . 19319 1 170 . 1 1 18 18 VAL HB H 1 2.596 0.050 . 1 . . . A 434 VAL HB . 19319 1 171 . 1 1 18 18 VAL HG11 H 1 0.882 0.009 . 2 . . . A 434 VAL HG11 . 19319 1 172 . 1 1 18 18 VAL HG12 H 1 0.882 0.009 . 2 . . . A 434 VAL HG12 . 19319 1 173 . 1 1 18 18 VAL HG13 H 1 0.882 0.009 . 2 . . . A 434 VAL HG13 . 19319 1 174 . 1 1 18 18 VAL HG21 H 1 1.100 0.009 . 2 . . . A 434 VAL HG21 . 19319 1 175 . 1 1 18 18 VAL HG22 H 1 1.100 0.009 . 2 . . . A 434 VAL HG22 . 19319 1 176 . 1 1 18 18 VAL HG23 H 1 1.100 0.009 . 2 . . . A 434 VAL HG23 . 19319 1 177 . 1 1 18 18 VAL C C 13 178.399 0.200 . 1 . . . A 434 VAL C . 19319 1 178 . 1 1 18 18 VAL CA C 13 66.853 0.117 . 1 . . . A 434 VAL CA . 19319 1 179 . 1 1 18 18 VAL CB C 13 31.652 0.064 . 1 . . . A 434 VAL CB . 19319 1 180 . 1 1 18 18 VAL CG1 C 13 23.118 0.079 . 2 . . . A 434 VAL CG1 . 19319 1 181 . 1 1 18 18 VAL CG2 C 13 22.127 0.035 . 2 . . . A 434 VAL CG2 . 19319 1 182 . 1 1 18 18 VAL N N 15 123.281 0.112 . 1 . . . A 434 VAL N . 19319 1 183 . 1 1 19 19 PHE H H 1 8.798 0.028 . 1 . . . A 435 PHE H . 19319 1 184 . 1 1 19 19 PHE HA H 1 3.906 0.009 . 1 . . . A 435 PHE HA . 19319 1 185 . 1 1 19 19 PHE HB3 H 1 3.167 0.050 . 2 . . . A 435 PHE HB3 . 19319 1 186 . 1 1 19 19 PHE C C 13 178.180 0.200 . 1 . . . A 435 PHE C . 19319 1 187 . 1 1 19 19 PHE CA C 13 63.014 0.053 . 1 . . . A 435 PHE CA . 19319 1 188 . 1 1 19 19 PHE CB C 13 38.578 0.040 . 1 . . . A 435 PHE CB . 19319 1 189 . 1 1 19 19 PHE N N 15 120.256 0.098 . 1 . . . A 435 PHE N . 19319 1 190 . 1 1 20 20 ARG H H 1 8.594 0.009 . 1 . . . A 436 ARG H . 19319 1 191 . 1 1 20 20 ARG HA H 1 4.130 0.016 . 1 . . . A 436 ARG HA . 19319 1 192 . 1 1 20 20 ARG HB3 H 1 1.879 0.000 . 2 . . . A 436 ARG HB3 . 19319 1 193 . 1 1 20 20 ARG HG2 H 1 1.715 0.050 . 2 . . . A 436 ARG HG2 . 19319 1 194 . 1 1 20 20 ARG HG3 H 1 2.050 0.050 . 2 . . . A 436 ARG HG3 . 19319 1 195 . 1 1 20 20 ARG HD3 H 1 3.282 0.016 . 2 . . . A 436 ARG HD3 . 19319 1 196 . 1 1 20 20 ARG C C 13 178.226 0.200 . 1 . . . A 436 ARG C . 19319 1 197 . 1 1 20 20 ARG CA C 13 59.390 0.030 . 1 . . . A 436 ARG CA . 19319 1 198 . 1 1 20 20 ARG CB C 13 30.363 0.081 . 1 . . . A 436 ARG CB . 19319 1 199 . 1 1 20 20 ARG CG C 13 27.632 0.200 . 1 . . . A 436 ARG CG . 19319 1 200 . 1 1 20 20 ARG CD C 13 43.448 0.068 . 1 . . . A 436 ARG CD . 19319 1 201 . 1 1 20 20 ARG N N 15 118.644 0.113 . 1 . . . A 436 ARG N . 19319 1 202 . 1 1 21 21 ASN H H 1 7.674 0.019 . 1 . . . A 437 ASN H . 19319 1 203 . 1 1 21 21 ASN HA H 1 4.446 0.015 . 1 . . . A 437 ASN HA . 19319 1 204 . 1 1 21 21 ASN HB2 H 1 2.356 0.050 . 2 . . . A 437 ASN HB2 . 19319 1 205 . 1 1 21 21 ASN HB3 H 1 1.681 0.012 . 2 . . . A 437 ASN HB3 . 19319 1 206 . 1 1 21 21 ASN C C 13 176.548 0.200 . 1 . . . A 437 ASN C . 19319 1 207 . 1 1 21 21 ASN CA C 13 55.250 0.015 . 1 . . . A 437 ASN CA . 19319 1 208 . 1 1 21 21 ASN CB C 13 40.323 0.102 . 1 . . . A 437 ASN CB . 19319 1 209 . 1 1 21 21 ASN N N 15 112.869 0.022 . 1 . . . A 437 ASN N . 19319 1 210 . 1 1 22 22 PHE H H 1 8.279 0.027 . 1 . . . A 438 PHE H . 19319 1 211 . 1 1 22 22 PHE HA H 1 4.830 0.011 . 1 . . . A 438 PHE HA . 19319 1 212 . 1 1 22 22 PHE HB2 H 1 3.285 0.017 . 2 . . . A 438 PHE HB2 . 19319 1 213 . 1 1 22 22 PHE HB3 H 1 2.713 0.050 . 2 . . . A 438 PHE HB3 . 19319 1 214 . 1 1 22 22 PHE HD1 H 1 7.534 0.050 . 3 . . . A 438 PHE HD1 . 19319 1 215 . 1 1 22 22 PHE C C 13 175.581 0.200 . 1 . . . A 438 PHE C . 19319 1 216 . 1 1 22 22 PHE CA C 13 58.737 0.035 . 1 . . . A 438 PHE CA . 19319 1 217 . 1 1 22 22 PHE CB C 13 40.337 0.095 . 1 . . . A 438 PHE CB . 19319 1 218 . 1 1 22 22 PHE N N 15 113.891 0.049 . 1 . . . A 438 PHE N . 19319 1 219 . 1 1 23 23 ASP H H 1 7.927 0.020 . 1 . . . A 439 ASP H . 19319 1 220 . 1 1 23 23 ASP HA H 1 4.943 0.015 . 1 . . . A 439 ASP HA . 19319 1 221 . 1 1 23 23 ASP HB2 H 1 2.257 0.012 . 2 . . . A 439 ASP HB2 . 19319 1 222 . 1 1 23 23 ASP HB3 H 1 3.336 0.023 . 2 . . . A 439 ASP HB3 . 19319 1 223 . 1 1 23 23 ASP C C 13 178.012 0.200 . 1 . . . A 439 ASP C . 19319 1 224 . 1 1 23 23 ASP CA C 13 52.995 0.077 . 1 . . . A 439 ASP CA . 19319 1 225 . 1 1 23 23 ASP CB C 13 39.095 0.122 . 1 . . . A 439 ASP CB . 19319 1 226 . 1 1 23 23 ASP N N 15 119.572 0.121 . 1 . . . A 439 ASP N . 19319 1 227 . 1 1 24 24 VAL H H 1 7.760 0.018 . 1 . . . A 440 VAL H . 19319 1 228 . 1 1 24 24 VAL HA H 1 3.764 0.025 . 1 . . . A 440 VAL HA . 19319 1 229 . 1 1 24 24 VAL HB H 1 2.264 0.050 . 1 . . . A 440 VAL HB . 19319 1 230 . 1 1 24 24 VAL HG11 H 1 1.104 0.045 . 2 . . . A 440 VAL HG11 . 19319 1 231 . 1 1 24 24 VAL HG12 H 1 1.104 0.045 . 2 . . . A 440 VAL HG12 . 19319 1 232 . 1 1 24 24 VAL HG13 H 1 1.104 0.045 . 2 . . . A 440 VAL HG13 . 19319 1 233 . 1 1 24 24 VAL HG21 H 1 1.164 0.012 . 2 . . . A 440 VAL HG21 . 19319 1 234 . 1 1 24 24 VAL HG22 H 1 1.164 0.012 . 2 . . . A 440 VAL HG22 . 19319 1 235 . 1 1 24 24 VAL HG23 H 1 1.164 0.012 . 2 . . . A 440 VAL HG23 . 19319 1 236 . 1 1 24 24 VAL C C 13 177.624 0.200 . 1 . . . A 440 VAL C . 19319 1 237 . 1 1 24 24 VAL CA C 13 65.458 0.020 . 1 . . . A 440 VAL CA . 19319 1 238 . 1 1 24 24 VAL CB C 13 32.290 0.131 . 1 . . . A 440 VAL CB . 19319 1 239 . 1 1 24 24 VAL CG1 C 13 21.322 0.042 . 2 . . . A 440 VAL CG1 . 19319 1 240 . 1 1 24 24 VAL N N 15 123.541 0.037 . 1 . . . A 440 VAL N . 19319 1 241 . 1 1 25 25 ASP H H 1 8.119 0.014 . 1 . . . A 441 ASP H . 19319 1 242 . 1 1 25 25 ASP HA H 1 4.650 0.023 . 1 . . . A 441 ASP HA . 19319 1 243 . 1 1 25 25 ASP HB2 H 1 3.139 0.050 . 2 . . . A 441 ASP HB2 . 19319 1 244 . 1 1 25 25 ASP HB3 H 1 2.699 0.050 . 2 . . . A 441 ASP HB3 . 19319 1 245 . 1 1 25 25 ASP C C 13 177.949 0.200 . 1 . . . A 441 ASP C . 19319 1 246 . 1 1 25 25 ASP CA C 13 53.166 0.015 . 1 . . . A 441 ASP CA . 19319 1 247 . 1 1 25 25 ASP CB C 13 39.954 0.040 . 1 . . . A 441 ASP CB . 19319 1 248 . 1 1 25 25 ASP N N 15 116.029 0.045 . 1 . . . A 441 ASP N . 19319 1 249 . 1 1 26 26 GLY H H 1 7.617 0.009 . 1 . . . A 442 GLY H . 19319 1 250 . 1 1 26 26 GLY HA2 H 1 3.945 0.050 . 2 . . . A 442 GLY HA2 . 19319 1 251 . 1 1 26 26 GLY HA3 H 1 3.874 0.050 . 2 . . . A 442 GLY HA3 . 19319 1 252 . 1 1 26 26 GLY C C 13 175.001 0.200 . 1 . . . A 442 GLY C . 19319 1 253 . 1 1 26 26 GLY CA C 13 47.435 0.095 . 1 . . . A 442 GLY CA . 19319 1 254 . 1 1 26 26 GLY N N 15 108.461 0.017 . 1 . . . A 442 GLY N . 19319 1 255 . 1 1 27 27 ASP H H 1 8.314 0.010 . 1 . . . A 443 ASP H . 19319 1 256 . 1 1 27 27 ASP HA H 1 4.552 0.017 . 1 . . . A 443 ASP HA . 19319 1 257 . 1 1 27 27 ASP HB2 H 1 3.103 0.001 . 2 . . . A 443 ASP HB2 . 19319 1 258 . 1 1 27 27 ASP HB3 H 1 2.538 0.008 . 2 . . . A 443 ASP HB3 . 19319 1 259 . 1 1 27 27 ASP C C 13 178.123 0.200 . 1 . . . A 443 ASP C . 19319 1 260 . 1 1 27 27 ASP CA C 13 53.957 0.052 . 1 . . . A 443 ASP CA . 19319 1 261 . 1 1 27 27 ASP CB C 13 40.451 0.115 . 1 . . . A 443 ASP CB . 19319 1 262 . 1 1 27 27 ASP N N 15 119.849 0.073 . 1 . . . A 443 ASP N . 19319 1 263 . 1 1 28 28 GLY H H 1 10.451 0.010 . 1 . . . A 444 GLY H . 19319 1 264 . 1 1 28 28 GLY HA2 H 1 4.183 0.050 . 2 . . . A 444 GLY HA2 . 19319 1 265 . 1 1 28 28 GLY HA3 H 1 3.663 0.050 . 2 . . . A 444 GLY HA3 . 19319 1 266 . 1 1 28 28 GLY C C 13 172.960 0.200 . 1 . . . A 444 GLY C . 19319 1 267 . 1 1 28 28 GLY CA C 13 46.102 0.121 . 1 . . . A 444 GLY CA . 19319 1 268 . 1 1 28 28 GLY N N 15 113.680 0.028 . 1 . . . A 444 GLY N . 19319 1 269 . 1 1 29 29 HIS H H 1 8.293 0.014 . 1 . . . A 445 HIS H . 19319 1 270 . 1 1 29 29 HIS HA H 1 5.338 0.012 . 1 . . . A 445 HIS HA . 19319 1 271 . 1 1 29 29 HIS HB2 H 1 3.067 0.050 . 2 . . . A 445 HIS HB2 . 19319 1 272 . 1 1 29 29 HIS HB3 H 1 2.899 0.050 . 2 . . . A 445 HIS HB3 . 19319 1 273 . 1 1 29 29 HIS HD2 H 1 6.693 0.050 . 1 . . . A 445 HIS HD2 . 19319 1 274 . 1 1 29 29 HIS C C 13 173.475 0.200 . 1 . . . A 445 HIS C . 19319 1 275 . 1 1 29 29 HIS CA C 13 54.563 0.040 . 1 . . . A 445 HIS CA . 19319 1 276 . 1 1 29 29 HIS CB C 13 33.661 0.056 . 1 . . . A 445 HIS CB . 19319 1 277 . 1 1 29 29 HIS N N 15 116.367 0.107 . 1 . . . A 445 HIS N . 19319 1 278 . 1 1 30 30 ILE H H 1 9.567 0.011 . 1 . . . A 446 ILE H . 19319 1 279 . 1 1 30 30 ILE HA H 1 5.311 0.012 . 1 . . . A 446 ILE HA . 19319 1 280 . 1 1 30 30 ILE HB H 1 2.120 0.050 . 1 . . . A 446 ILE HB . 19319 1 281 . 1 1 30 30 ILE HG12 H 1 0.984 0.050 . 2 . . . A 446 ILE HG12 . 19319 1 282 . 1 1 30 30 ILE HG13 H 1 0.597 0.022 . 2 . . . A 446 ILE HG13 . 19319 1 283 . 1 1 30 30 ILE HG21 H 1 1.161 0.009 . 1 . . . A 446 ILE HG21 . 19319 1 284 . 1 1 30 30 ILE HG22 H 1 1.161 0.009 . 1 . . . A 446 ILE HG22 . 19319 1 285 . 1 1 30 30 ILE HG23 H 1 1.161 0.009 . 1 . . . A 446 ILE HG23 . 19319 1 286 . 1 1 30 30 ILE HD11 H 1 0.122 0.011 . 1 . . . A 446 ILE HD11 . 19319 1 287 . 1 1 30 30 ILE HD12 H 1 0.122 0.011 . 1 . . . A 446 ILE HD12 . 19319 1 288 . 1 1 30 30 ILE HD13 H 1 0.122 0.011 . 1 . . . A 446 ILE HD13 . 19319 1 289 . 1 1 30 30 ILE C C 13 176.057 0.200 . 1 . . . A 446 ILE C . 19319 1 290 . 1 1 30 30 ILE CA C 13 57.605 0.025 . 1 . . . A 446 ILE CA . 19319 1 291 . 1 1 30 30 ILE CB C 13 37.170 0.040 . 1 . . . A 446 ILE CB . 19319 1 292 . 1 1 30 30 ILE CG1 C 13 26.746 0.070 . 1 . . . A 446 ILE CG1 . 19319 1 293 . 1 1 30 30 ILE CG2 C 13 18.804 0.045 . 1 . . . A 446 ILE CG2 . 19319 1 294 . 1 1 30 30 ILE CD1 C 13 9.458 0.081 . 1 . . . A 446 ILE CD1 . 19319 1 295 . 1 1 30 30 ILE N N 15 125.452 0.074 . 1 . . . A 446 ILE N . 19319 1 296 . 1 1 31 31 SER H H 1 9.701 0.012 . 1 . . . A 447 SER H . 19319 1 297 . 1 1 31 31 SER HA H 1 4.968 0.020 . 1 . . . A 447 SER HA . 19319 1 298 . 1 1 31 31 SER HB2 H 1 4.366 0.011 . 2 . . . A 447 SER HB2 . 19319 1 299 . 1 1 31 31 SER HB3 H 1 4.562 0.050 . 2 . . . A 447 SER HB3 . 19319 1 300 . 1 1 31 31 SER C C 13 175.548 0.200 . 1 . . . A 447 SER C . 19319 1 301 . 1 1 31 31 SER CA C 13 57.003 0.157 . 1 . . . A 447 SER CA . 19319 1 302 . 1 1 31 31 SER CB C 13 66.155 0.053 . 1 . . . A 447 SER CB . 19319 1 303 . 1 1 31 31 SER N N 15 126.253 0.042 . 1 . . . A 447 SER N . 19319 1 304 . 1 1 32 32 GLN H H 1 9.091 0.018 . 1 . . . A 448 GLN H . 19319 1 305 . 1 1 32 32 GLN HA H 1 3.493 0.020 . 1 . . . A 448 GLN HA . 19319 1 306 . 1 1 32 32 GLN HB3 H 1 1.558 0.050 . 2 . . . A 448 GLN HB3 . 19319 1 307 . 1 1 32 32 GLN HG2 H 1 1.210 0.018 . 2 . . . A 448 GLN HG2 . 19319 1 308 . 1 1 32 32 GLN HG3 H 1 1.715 0.007 . 2 . . . A 448 GLN HG3 . 19319 1 309 . 1 1 32 32 GLN C C 13 178.768 0.200 . 1 . . . A 448 GLN C . 19319 1 310 . 1 1 32 32 GLN CA C 13 60.576 0.059 . 1 . . . A 448 GLN CA . 19319 1 311 . 1 1 32 32 GLN CB C 13 27.836 0.070 . 1 . . . A 448 GLN CB . 19319 1 312 . 1 1 32 32 GLN CG C 13 33.713 0.082 . 1 . . . A 448 GLN CG . 19319 1 313 . 1 1 32 32 GLN N N 15 120.740 0.076 . 1 . . . A 448 GLN N . 19319 1 314 . 1 1 33 33 GLU H H 1 8.628 0.019 . 1 . . . A 449 GLU H . 19319 1 315 . 1 1 33 33 GLU HA H 1 4.066 0.013 . 1 . . . A 449 GLU HA . 19319 1 316 . 1 1 33 33 GLU HB3 H 1 2.086 0.050 . 2 . . . A 449 GLU HB3 . 19319 1 317 . 1 1 33 33 GLU HG3 H 1 2.354 0.050 . 2 . . . A 449 GLU HG3 . 19319 1 318 . 1 1 33 33 GLU C C 13 179.987 0.200 . 1 . . . A 449 GLU C . 19319 1 319 . 1 1 33 33 GLU CA C 13 60.213 0.038 . 1 . . . A 449 GLU CA . 19319 1 320 . 1 1 33 33 GLU CB C 13 29.779 0.156 . 1 . . . A 449 GLU CB . 19319 1 321 . 1 1 33 33 GLU CG C 13 37.076 0.200 . 1 . . . A 449 GLU CG . 19319 1 322 . 1 1 33 33 GLU N N 15 119.449 0.097 . 1 . . . A 449 GLU N . 19319 1 323 . 1 1 34 34 GLU H H 1 7.858 0.016 . 1 . . . A 450 GLU H . 19319 1 324 . 1 1 34 34 GLU HA H 1 4.216 0.020 . 1 . . . A 450 GLU HA . 19319 1 325 . 1 1 34 34 GLU HB3 H 1 2.335 0.050 . 2 . . . A 450 GLU HB3 . 19319 1 326 . 1 1 34 34 GLU HG3 H 1 2.643 0.050 . 2 . . . A 450 GLU HG3 . 19319 1 327 . 1 1 34 34 GLU C C 13 179.625 0.200 . 1 . . . A 450 GLU C . 19319 1 328 . 1 1 34 34 GLU CA C 13 58.694 0.053 . 1 . . . A 450 GLU CA . 19319 1 329 . 1 1 34 34 GLU CB C 13 30.049 0.132 . 1 . . . A 450 GLU CB . 19319 1 330 . 1 1 34 34 GLU CG C 13 37.138 0.200 . 1 . . . A 450 GLU CG . 19319 1 331 . 1 1 34 34 GLU N N 15 120.215 0.054 . 1 . . . A 450 GLU N . 19319 1 332 . 1 1 35 35 PHE H H 1 9.079 0.016 . 1 . . . A 451 PHE H . 19319 1 333 . 1 1 35 35 PHE HA H 1 4.012 0.014 . 1 . . . A 451 PHE HA . 19319 1 334 . 1 1 35 35 PHE HB3 H 1 3.362 0.008 . 2 . . . A 451 PHE HB3 . 19319 1 335 . 1 1 35 35 PHE C C 13 176.215 0.200 . 1 . . . A 451 PHE C . 19319 1 336 . 1 1 35 35 PHE CA C 13 61.206 0.101 . 1 . . . A 451 PHE CA . 19319 1 337 . 1 1 35 35 PHE CB C 13 39.671 0.066 . 1 . . . A 451 PHE CB . 19319 1 338 . 1 1 35 35 PHE N N 15 119.867 0.151 . 1 . . . A 451 PHE N . 19319 1 339 . 1 1 36 36 GLN H H 1 7.774 0.009 . 1 . . . A 452 GLN H . 19319 1 340 . 1 1 36 36 GLN HA H 1 3.902 0.011 . 1 . . . A 452 GLN HA . 19319 1 341 . 1 1 36 36 GLN HB3 H 1 2.220 0.012 . 2 . . . A 452 GLN HB3 . 19319 1 342 . 1 1 36 36 GLN HG3 H 1 2.629 0.016 . 2 . . . A 452 GLN HG3 . 19319 1 343 . 1 1 36 36 GLN C C 13 178.542 0.200 . 1 . . . A 452 GLN C . 19319 1 344 . 1 1 36 36 GLN CA C 13 58.690 0.053 . 1 . . . A 452 GLN CA . 19319 1 345 . 1 1 36 36 GLN CB C 13 28.413 0.156 . 1 . . . A 452 GLN CB . 19319 1 346 . 1 1 36 36 GLN CG C 13 33.593 0.019 . 1 . . . A 452 GLN CG . 19319 1 347 . 1 1 36 36 GLN N N 15 116.266 0.084 . 1 . . . A 452 GLN N . 19319 1 348 . 1 1 37 37 ILE H H 1 7.149 0.011 . 1 . . . A 453 ILE H . 19319 1 349 . 1 1 37 37 ILE HA H 1 3.851 0.015 . 1 . . . A 453 ILE HA . 19319 1 350 . 1 1 37 37 ILE HB H 1 2.208 0.000 . 1 . . . A 453 ILE HB . 19319 1 351 . 1 1 37 37 ILE HG12 H 1 1.419 0.050 . 2 . . . A 453 ILE HG12 . 19319 1 352 . 1 1 37 37 ILE HG13 H 1 1.762 0.050 . 2 . . . A 453 ILE HG13 . 19319 1 353 . 1 1 37 37 ILE HG21 H 1 1.053 0.021 . 1 . . . A 453 ILE HG21 . 19319 1 354 . 1 1 37 37 ILE HG22 H 1 1.053 0.021 . 1 . . . A 453 ILE HG22 . 19319 1 355 . 1 1 37 37 ILE HG23 H 1 1.053 0.021 . 1 . . . A 453 ILE HG23 . 19319 1 356 . 1 1 37 37 ILE HD11 H 1 1.011 0.058 . 1 . . . A 453 ILE HD11 . 19319 1 357 . 1 1 37 37 ILE HD12 H 1 1.011 0.058 . 1 . . . A 453 ILE HD12 . 19319 1 358 . 1 1 37 37 ILE HD13 H 1 1.011 0.058 . 1 . . . A 453 ILE HD13 . 19319 1 359 . 1 1 37 37 ILE C C 13 178.934 0.200 . 1 . . . A 453 ILE C . 19319 1 360 . 1 1 37 37 ILE CA C 13 63.157 0.013 . 1 . . . A 453 ILE CA . 19319 1 361 . 1 1 37 37 ILE CB C 13 37.520 0.087 . 1 . . . A 453 ILE CB . 19319 1 362 . 1 1 37 37 ILE CG1 C 13 27.815 0.200 . 1 . . . A 453 ILE CG1 . 19319 1 363 . 1 1 37 37 ILE CG2 C 13 18.037 0.019 . 1 . . . A 453 ILE CG2 . 19319 1 364 . 1 1 37 37 ILE CD1 C 13 12.028 0.079 . 1 . . . A 453 ILE CD1 . 19319 1 365 . 1 1 37 37 ILE N N 15 117.601 0.077 . 1 . . . A 453 ILE N . 19319 1 366 . 1 1 38 38 ILE H H 1 7.249 0.012 . 1 . . . A 454 ILE H . 19319 1 367 . 1 1 38 38 ILE HA H 1 2.730 0.025 . 1 . . . A 454 ILE HA . 19319 1 368 . 1 1 38 38 ILE HB H 1 1.480 0.007 . 1 . . . A 454 ILE HB . 19319 1 369 . 1 1 38 38 ILE HG13 H 1 0.453 0.008 . 2 . . . A 454 ILE HG13 . 19319 1 370 . 1 1 38 38 ILE HG21 H 1 0.129 0.018 . 1 . . . A 454 ILE HG21 . 19319 1 371 . 1 1 38 38 ILE HG22 H 1 0.129 0.018 . 1 . . . A 454 ILE HG22 . 19319 1 372 . 1 1 38 38 ILE HG23 H 1 0.129 0.018 . 1 . . . A 454 ILE HG23 . 19319 1 373 . 1 1 38 38 ILE HD11 H 1 0.622 0.002 . 1 . . . A 454 ILE HD11 . 19319 1 374 . 1 1 38 38 ILE HD12 H 1 0.622 0.002 . 1 . . . A 454 ILE HD12 . 19319 1 375 . 1 1 38 38 ILE HD13 H 1 0.622 0.002 . 1 . . . A 454 ILE HD13 . 19319 1 376 . 1 1 38 38 ILE C C 13 177.854 0.200 . 1 . . . A 454 ILE C . 19319 1 377 . 1 1 38 38 ILE CA C 13 65.428 0.098 . 1 . . . A 454 ILE CA . 19319 1 378 . 1 1 38 38 ILE CB C 13 37.377 0.107 . 1 . . . A 454 ILE CB . 19319 1 379 . 1 1 38 38 ILE CG1 C 13 28.565 0.026 . 1 . . . A 454 ILE CG1 . 19319 1 380 . 1 1 38 38 ILE CG2 C 13 17.295 0.035 . 1 . . . A 454 ILE CG2 . 19319 1 381 . 1 1 38 38 ILE CD1 C 13 14.654 0.057 . 1 . . . A 454 ILE CD1 . 19319 1 382 . 1 1 38 38 ILE N N 15 121.456 0.120 . 1 . . . A 454 ILE N . 19319 1 383 . 1 1 39 39 ARG H H 1 8.040 0.021 . 1 . . . A 455 ARG H . 19319 1 384 . 1 1 39 39 ARG HA H 1 3.704 0.019 . 1 . . . A 455 ARG HA . 19319 1 385 . 1 1 39 39 ARG HB3 H 1 1.508 0.050 . 2 . . . A 455 ARG HB3 . 19319 1 386 . 1 1 39 39 ARG HG3 H 1 1.343 0.013 . 2 . . . A 455 ARG HG3 . 19319 1 387 . 1 1 39 39 ARG HD3 H 1 3.123 0.014 . 2 . . . A 455 ARG HD3 . 19319 1 388 . 1 1 39 39 ARG C C 13 177.365 0.200 . 1 . . . A 455 ARG C . 19319 1 389 . 1 1 39 39 ARG CA C 13 58.679 0.018 . 1 . . . A 455 ARG CA . 19319 1 390 . 1 1 39 39 ARG CB C 13 29.675 0.077 . 1 . . . A 455 ARG CB . 19319 1 391 . 1 1 39 39 ARG CG C 13 27.863 0.011 . 1 . . . A 455 ARG CG . 19319 1 392 . 1 1 39 39 ARG CD C 13 43.822 0.024 . 1 . . . A 455 ARG CD . 19319 1 393 . 1 1 39 39 ARG N N 15 119.085 0.122 . 1 . . . A 455 ARG N . 19319 1 394 . 1 1 40 40 GLY H H 1 7.478 0.010 . 1 . . . A 456 GLY H . 19319 1 395 . 1 1 40 40 GLY HA2 H 1 3.845 0.050 . 2 . . . A 456 GLY HA2 . 19319 1 396 . 1 1 40 40 GLY HA3 H 1 3.788 0.050 . 2 . . . A 456 GLY HA3 . 19319 1 397 . 1 1 40 40 GLY CA C 13 46.368 0.067 . 1 . . . A 456 GLY CA . 19319 1 398 . 1 1 40 40 GLY N N 15 104.656 0.065 . 1 . . . A 456 GLY N . 19319 1 399 . 1 1 41 41 ASN H H 1 7.397 0.015 . 1 . . . A 457 ASN H . 19319 1 400 . 1 1 41 41 ASN HA H 1 4.470 0.040 . 1 . . . A 457 ASN HA . 19319 1 401 . 1 1 41 41 ASN HB2 H 1 2.355 0.050 . 2 . . . A 457 ASN HB2 . 19319 1 402 . 1 1 41 41 ASN HB3 H 1 2.155 0.050 . 2 . . . A 457 ASN HB3 . 19319 1 403 . 1 1 41 41 ASN C C 13 174.085 0.200 . 1 . . . A 457 ASN C . 19319 1 404 . 1 1 41 41 ASN CA C 13 54.623 0.027 . 1 . . . A 457 ASN CA . 19319 1 405 . 1 1 41 41 ASN CB C 13 40.800 0.073 . 1 . . . A 457 ASN CB . 19319 1 406 . 1 1 41 41 ASN N N 15 117.474 0.056 . 1 . . . A 457 ASN N . 19319 1 407 . 1 1 42 42 PHE H H 1 7.810 0.010 . 1 . . . A 458 PHE H . 19319 1 408 . 1 1 42 42 PHE HA H 1 4.809 0.050 . 1 . . . A 458 PHE HA . 19319 1 409 . 1 1 42 42 PHE CA C 13 54.556 0.200 . 1 . . . A 458 PHE CA . 19319 1 410 . 1 1 42 42 PHE CB C 13 39.483 0.200 . 1 . . . A 458 PHE CB . 19319 1 411 . 1 1 42 42 PHE N N 15 118.615 0.039 . 1 . . . A 458 PHE N . 19319 1 412 . 1 1 43 43 PRO HA H 1 4.551 0.050 . 1 . . . A 459 PRO HA . 19319 1 413 . 1 1 43 43 PRO HB2 H 1 2.269 0.050 . 2 . . . A 459 PRO HB2 . 19319 1 414 . 1 1 43 43 PRO HG3 H 1 1.919 0.006 . 2 . . . A 459 PRO HG3 . 19319 1 415 . 1 1 43 43 PRO HD2 H 1 3.564 0.004 . 2 . . . A 459 PRO HD2 . 19319 1 416 . 1 1 43 43 PRO HD3 H 1 3.352 0.019 . 2 . . . A 459 PRO HD3 . 19319 1 417 . 1 1 43 43 PRO C C 13 176.134 0.200 . 1 . . . A 459 PRO C . 19319 1 418 . 1 1 43 43 PRO CA C 13 64.625 0.049 . 1 . . . A 459 PRO CA . 19319 1 419 . 1 1 43 43 PRO CB C 13 31.824 0.033 . 1 . . . A 459 PRO CB . 19319 1 420 . 1 1 43 43 PRO CG C 13 27.102 0.016 . 1 . . . A 459 PRO CG . 19319 1 421 . 1 1 43 43 PRO CD C 13 50.509 0.036 . 1 . . . A 459 PRO CD . 19319 1 422 . 1 1 44 44 TYR H H 1 6.927 0.011 . 1 . . . A 460 TYR H . 19319 1 423 . 1 1 44 44 TYR HA H 1 4.617 0.050 . 1 . . . A 460 TYR HA . 19319 1 424 . 1 1 44 44 TYR HB2 H 1 3.235 0.010 . 2 . . . A 460 TYR HB2 . 19319 1 425 . 1 1 44 44 TYR HB3 H 1 3.092 0.006 . 2 . . . A 460 TYR HB3 . 19319 1 426 . 1 1 44 44 TYR HE2 H 1 6.904 0.050 . 3 . . . A 460 TYR HE2 . 19319 1 427 . 1 1 44 44 TYR C C 13 176.048 0.200 . 1 . . . A 460 TYR C . 19319 1 428 . 1 1 44 44 TYR CA C 13 56.262 0.069 . 1 . . . A 460 TYR CA . 19319 1 429 . 1 1 44 44 TYR CB C 13 37.382 0.079 . 1 . . . A 460 TYR CB . 19319 1 430 . 1 1 44 44 TYR N N 15 113.525 0.037 . 1 . . . A 460 TYR N . 19319 1 431 . 1 1 45 45 LEU H H 1 7.498 0.011 . 1 . . . A 461 LEU H . 19319 1 432 . 1 1 45 45 LEU HA H 1 4.396 0.011 . 1 . . . A 461 LEU HA . 19319 1 433 . 1 1 45 45 LEU HB3 H 1 1.755 0.016 . 2 . . . A 461 LEU HB3 . 19319 1 434 . 1 1 45 45 LEU HG H 1 1.533 0.050 . 1 . . . A 461 LEU HG . 19319 1 435 . 1 1 45 45 LEU HD11 H 1 0.796 0.007 . 2 . . . A 461 LEU HD11 . 19319 1 436 . 1 1 45 45 LEU HD12 H 1 0.796 0.007 . 2 . . . A 461 LEU HD12 . 19319 1 437 . 1 1 45 45 LEU HD13 H 1 0.796 0.007 . 2 . . . A 461 LEU HD13 . 19319 1 438 . 1 1 45 45 LEU HD21 H 1 0.891 0.050 . 2 . . . A 461 LEU HD21 . 19319 1 439 . 1 1 45 45 LEU HD22 H 1 0.891 0.050 . 2 . . . A 461 LEU HD22 . 19319 1 440 . 1 1 45 45 LEU HD23 H 1 0.891 0.050 . 2 . . . A 461 LEU HD23 . 19319 1 441 . 1 1 45 45 LEU C C 13 176.439 0.200 . 1 . . . A 461 LEU C . 19319 1 442 . 1 1 45 45 LEU CA C 13 55.408 0.097 . 1 . . . A 461 LEU CA . 19319 1 443 . 1 1 45 45 LEU CB C 13 42.761 0.070 . 1 . . . A 461 LEU CB . 19319 1 444 . 1 1 45 45 LEU CG C 13 26.697 0.200 . 1 . . . A 461 LEU CG . 19319 1 445 . 1 1 45 45 LEU CD1 C 13 24.661 0.200 . 2 . . . A 461 LEU CD1 . 19319 1 446 . 1 1 45 45 LEU CD2 C 13 26.273 0.023 . 2 . . . A 461 LEU CD2 . 19319 1 447 . 1 1 45 45 LEU N N 15 122.870 0.062 . 1 . . . A 461 LEU N . 19319 1 448 . 1 1 46 46 SER H H 1 7.243 0.010 . 1 . . . A 462 SER H . 19319 1 449 . 1 1 46 46 SER HA H 1 4.450 0.010 . 1 . . . A 462 SER HA . 19319 1 450 . 1 1 46 46 SER C C 13 171.432 0.200 . 1 . . . A 462 SER C . 19319 1 451 . 1 1 46 46 SER CA C 13 58.636 0.018 . 1 . . . A 462 SER CA . 19319 1 452 . 1 1 46 46 SER CB C 13 63.835 0.022 . 1 . . . A 462 SER CB . 19319 1 453 . 1 1 46 46 SER N N 15 115.461 0.109 . 1 . . . A 462 SER N . 19319 1 454 . 1 1 47 47 ALA H H 1 7.754 0.010 . 1 . . . A 463 ALA H . 19319 1 455 . 1 1 47 47 ALA HA H 1 4.394 0.017 . 1 . . . A 463 ALA HA . 19319 1 456 . 1 1 47 47 ALA HB1 H 1 1.446 0.007 . 1 . . . A 463 ALA HB1 . 19319 1 457 . 1 1 47 47 ALA HB2 H 1 1.446 0.007 . 1 . . . A 463 ALA HB2 . 19319 1 458 . 1 1 47 47 ALA HB3 H 1 1.446 0.007 . 1 . . . A 463 ALA HB3 . 19319 1 459 . 1 1 47 47 ALA C C 13 177.154 0.200 . 1 . . . A 463 ALA C . 19319 1 460 . 1 1 47 47 ALA CA C 13 51.871 0.112 . 1 . . . A 463 ALA CA . 19319 1 461 . 1 1 47 47 ALA CB C 13 20.194 0.087 . 1 . . . A 463 ALA CB . 19319 1 462 . 1 1 47 47 ALA N N 15 119.647 0.093 . 1 . . . A 463 ALA N . 19319 1 463 . 1 1 48 48 PHE H H 1 8.705 0.017 . 1 . . . A 464 PHE H . 19319 1 464 . 1 1 48 48 PHE HA H 1 2.783 0.050 . 1 . . . A 464 PHE HA . 19319 1 465 . 1 1 48 48 PHE HB3 H 1 2.795 0.013 . 2 . . . A 464 PHE HB3 . 19319 1 466 . 1 1 48 48 PHE HE1 H 1 6.646 0.050 . 3 . . . A 464 PHE HE1 . 19319 1 467 . 1 1 48 48 PHE C C 13 177.569 0.200 . 1 . . . A 464 PHE C . 19319 1 468 . 1 1 48 48 PHE CA C 13 62.131 0.079 . 1 . . . A 464 PHE CA . 19319 1 469 . 1 1 48 48 PHE CB C 13 40.165 0.093 . 1 . . . A 464 PHE CB . 19319 1 470 . 1 1 48 48 PHE N N 15 122.886 0.091 . 1 . . . A 464 PHE N . 19319 1 471 . 1 1 49 49 GLY H H 1 8.819 0.017 . 1 . . . A 465 GLY H . 19319 1 472 . 1 1 49 49 GLY HA2 H 1 3.740 0.050 . 2 . . . A 465 GLY HA2 . 19319 1 473 . 1 1 49 49 GLY HA3 H 1 3.903 0.050 . 2 . . . A 465 GLY HA3 . 19319 1 474 . 1 1 49 49 GLY C C 13 174.682 0.200 . 1 . . . A 465 GLY C . 19319 1 475 . 1 1 49 49 GLY CA C 13 46.454 0.035 . 1 . . . A 465 GLY CA . 19319 1 476 . 1 1 49 49 GLY N N 15 102.737 0.032 . 1 . . . A 465 GLY N . 19319 1 477 . 1 1 50 50 ASP H H 1 7.380 0.016 . 1 . . . A 466 ASP H . 19319 1 478 . 1 1 50 50 ASP HA H 1 4.396 0.009 . 1 . . . A 466 ASP HA . 19319 1 479 . 1 1 50 50 ASP HB3 H 1 2.751 0.050 . 2 . . . A 466 ASP HB3 . 19319 1 480 . 1 1 50 50 ASP C C 13 176.851 0.200 . 1 . . . A 466 ASP C . 19319 1 481 . 1 1 50 50 ASP CA C 13 55.876 0.008 . 1 . . . A 466 ASP CA . 19319 1 482 . 1 1 50 50 ASP CB C 13 40.479 0.117 . 1 . . . A 466 ASP CB . 19319 1 483 . 1 1 50 50 ASP N N 15 118.017 0.091 . 1 . . . A 466 ASP N . 19319 1 484 . 1 1 51 51 LEU H H 1 6.875 0.011 . 1 . . . A 467 LEU H . 19319 1 485 . 1 1 51 51 LEU HA H 1 4.061 0.016 . 1 . . . A 467 LEU HA . 19319 1 486 . 1 1 51 51 LEU HB2 H 1 1.072 0.006 . 2 . . . A 467 LEU HB2 . 19319 1 487 . 1 1 51 51 LEU HB3 H 1 0.989 0.030 . 2 . . . A 467 LEU HB3 . 19319 1 488 . 1 1 51 51 LEU HG H 1 0.807 0.022 . 1 . . . A 467 LEU HG . 19319 1 489 . 1 1 51 51 LEU HD11 H 1 0.151 0.031 . 2 . . . A 467 LEU HD11 . 19319 1 490 . 1 1 51 51 LEU HD12 H 1 0.151 0.031 . 2 . . . A 467 LEU HD12 . 19319 1 491 . 1 1 51 51 LEU HD13 H 1 0.151 0.031 . 2 . . . A 467 LEU HD13 . 19319 1 492 . 1 1 51 51 LEU HD21 H 1 0.391 0.009 . 2 . . . A 467 LEU HD21 . 19319 1 493 . 1 1 51 51 LEU HD22 H 1 0.391 0.009 . 2 . . . A 467 LEU HD22 . 19319 1 494 . 1 1 51 51 LEU HD23 H 1 0.391 0.009 . 2 . . . A 467 LEU HD23 . 19319 1 495 . 1 1 51 51 LEU C C 13 177.993 0.200 . 1 . . . A 467 LEU C . 19319 1 496 . 1 1 51 51 LEU CA C 13 58.324 0.107 . 1 . . . A 467 LEU CA . 19319 1 497 . 1 1 51 51 LEU CB C 13 43.102 0.103 . 1 . . . A 467 LEU CB . 19319 1 498 . 1 1 51 51 LEU CD1 C 13 25.568 0.073 . 2 . . . A 467 LEU CD1 . 19319 1 499 . 1 1 51 51 LEU CD2 C 13 27.138 0.018 . 2 . . . A 467 LEU CD2 . 19319 1 500 . 1 1 51 51 LEU N N 15 118.358 0.058 . 1 . . . A 467 LEU N . 19319 1 501 . 1 1 52 52 ASP H H 1 7.249 0.008 . 1 . . . A 468 ASP H . 19319 1 502 . 1 1 52 52 ASP HA H 1 4.396 0.012 . 1 . . . A 468 ASP HA . 19319 1 503 . 1 1 52 52 ASP HB2 H 1 2.363 0.018 . 2 . . . A 468 ASP HB2 . 19319 1 504 . 1 1 52 52 ASP HB3 H 1 1.535 0.019 . 2 . . . A 468 ASP HB3 . 19319 1 505 . 1 1 52 52 ASP C C 13 176.521 0.200 . 1 . . . A 468 ASP C . 19319 1 506 . 1 1 52 52 ASP CA C 13 52.775 0.096 . 1 . . . A 468 ASP CA . 19319 1 507 . 1 1 52 52 ASP CB C 13 39.227 0.061 . 1 . . . A 468 ASP CB . 19319 1 508 . 1 1 52 52 ASP N N 15 117.722 0.056 . 1 . . . A 468 ASP N . 19319 1 509 . 1 1 53 53 GLN H H 1 7.583 0.011 . 1 . . . A 469 GLN H . 19319 1 510 . 1 1 53 53 GLN HA H 1 3.982 0.029 . 1 . . . A 469 GLN HA . 19319 1 511 . 1 1 53 53 GLN HB2 H 1 2.218 0.050 . 2 . . . A 469 GLN HB2 . 19319 1 512 . 1 1 53 53 GLN HB3 H 1 2.081 0.050 . 2 . . . A 469 GLN HB3 . 19319 1 513 . 1 1 53 53 GLN HG2 H 1 2.480 0.050 . 2 . . . A 469 GLN HG2 . 19319 1 514 . 1 1 53 53 GLN HG3 H 1 2.383 0.050 . 2 . . . A 469 GLN HG3 . 19319 1 515 . 1 1 53 53 GLN C C 13 177.062 0.200 . 1 . . . A 469 GLN C . 19319 1 516 . 1 1 53 53 GLN CA C 13 58.840 0.040 . 1 . . . A 469 GLN CA . 19319 1 517 . 1 1 53 53 GLN CB C 13 29.979 0.014 . 1 . . . A 469 GLN CB . 19319 1 518 . 1 1 53 53 GLN CG C 13 34.431 0.200 . 1 . . . A 469 GLN CG . 19319 1 519 . 1 1 53 53 GLN N N 15 126.239 0.041 . 1 . . . A 469 GLN N . 19319 1 520 . 1 1 54 54 ASN H H 1 8.004 0.012 . 1 . . . A 470 ASN H . 19319 1 521 . 1 1 54 54 ASN HA H 1 4.755 0.024 . 1 . . . A 470 ASN HA . 19319 1 522 . 1 1 54 54 ASN HB2 H 1 3.336 0.050 . 2 . . . A 470 ASN HB2 . 19319 1 523 . 1 1 54 54 ASN HB3 H 1 2.899 0.050 . 2 . . . A 470 ASN HB3 . 19319 1 524 . 1 1 54 54 ASN C C 13 174.624 0.200 . 1 . . . A 470 ASN C . 19319 1 525 . 1 1 54 54 ASN CA C 13 51.775 0.023 . 1 . . . A 470 ASN CA . 19319 1 526 . 1 1 54 54 ASN CB C 13 36.942 0.034 . 1 . . . A 470 ASN CB . 19319 1 527 . 1 1 54 54 ASN N N 15 113.087 0.035 . 1 . . . A 470 ASN N . 19319 1 528 . 1 1 55 55 GLN H H 1 7.717 0.009 . 1 . . . A 471 GLN H . 19319 1 529 . 1 1 55 55 GLN HA H 1 3.896 0.015 . 1 . . . A 471 GLN HA . 19319 1 530 . 1 1 55 55 GLN HB3 H 1 2.271 0.050 . 2 . . . A 471 GLN HB3 . 19319 1 531 . 1 1 55 55 GLN HG3 H 1 2.290 0.026 . 2 . . . A 471 GLN HG3 . 19319 1 532 . 1 1 55 55 GLN C C 13 175.183 0.200 . 1 . . . A 471 GLN C . 19319 1 533 . 1 1 55 55 GLN CA C 13 57.343 0.041 . 1 . . . A 471 GLN CA . 19319 1 534 . 1 1 55 55 GLN CB C 13 26.442 0.146 . 1 . . . A 471 GLN CB . 19319 1 535 . 1 1 55 55 GLN CG C 13 34.458 0.200 . 1 . . . A 471 GLN CG . 19319 1 536 . 1 1 55 55 GLN N N 15 114.386 0.086 . 1 . . . A 471 GLN N . 19319 1 537 . 1 1 56 56 ASP H H 1 8.307 0.009 . 1 . . . A 472 ASP H . 19319 1 538 . 1 1 56 56 ASP HA H 1 4.707 0.019 . 1 . . . A 472 ASP HA . 19319 1 539 . 1 1 56 56 ASP HB2 H 1 2.381 0.050 . 2 . . . A 472 ASP HB2 . 19319 1 540 . 1 1 56 56 ASP HB3 H 1 3.139 0.050 . 2 . . . A 472 ASP HB3 . 19319 1 541 . 1 1 56 56 ASP C C 13 178.119 0.200 . 1 . . . A 472 ASP C . 19319 1 542 . 1 1 56 56 ASP CA C 13 53.076 0.076 . 1 . . . A 472 ASP CA . 19319 1 543 . 1 1 56 56 ASP CB C 13 40.766 0.167 . 1 . . . A 472 ASP CB . 19319 1 544 . 1 1 56 56 ASP N N 15 117.891 0.055 . 1 . . . A 472 ASP N . 19319 1 545 . 1 1 57 57 GLY H H 1 10.246 0.009 . 1 . . . A 473 GLY H . 19319 1 546 . 1 1 57 57 GLY HA2 H 1 4.326 0.018 . 2 . . . A 473 GLY HA2 . 19319 1 547 . 1 1 57 57 GLY HA3 H 1 3.655 0.019 . 2 . . . A 473 GLY HA3 . 19319 1 548 . 1 1 57 57 GLY C C 13 173.396 0.200 . 1 . . . A 473 GLY C . 19319 1 549 . 1 1 57 57 GLY CA C 13 45.965 0.083 . 1 . . . A 473 GLY CA . 19319 1 550 . 1 1 57 57 GLY N N 15 111.934 0.028 . 1 . . . A 473 GLY N . 19319 1 551 . 1 1 58 58 CYS H H 1 8.053 0.011 . 1 . . . A 474 CYS H . 19319 1 552 . 1 1 58 58 CYS HA H 1 5.217 0.017 . 1 . . . A 474 CYS HA . 19319 1 553 . 1 1 58 58 CYS HB3 H 1 2.602 0.017 . 2 . . . A 474 CYS HB3 . 19319 1 554 . 1 1 58 58 CYS C C 13 173.223 0.200 . 1 . . . A 474 CYS C . 19319 1 555 . 1 1 58 58 CYS CA C 13 56.418 0.046 . 1 . . . A 474 CYS CA . 19319 1 556 . 1 1 58 58 CYS CB C 13 32.139 0.108 . 1 . . . A 474 CYS CB . 19319 1 557 . 1 1 58 58 CYS N N 15 115.791 0.035 . 1 . . . A 474 CYS N . 19319 1 558 . 1 1 59 59 ILE H H 1 9.786 0.009 . 1 . . . A 475 ILE H . 19319 1 559 . 1 1 59 59 ILE HA H 1 4.920 0.023 . 1 . . . A 475 ILE HA . 19319 1 560 . 1 1 59 59 ILE HB H 1 1.743 0.024 . 1 . . . A 475 ILE HB . 19319 1 561 . 1 1 59 59 ILE HG21 H 1 0.945 0.011 . 1 . . . A 475 ILE HG21 . 19319 1 562 . 1 1 59 59 ILE HG22 H 1 0.945 0.011 . 1 . . . A 475 ILE HG22 . 19319 1 563 . 1 1 59 59 ILE HG23 H 1 0.945 0.011 . 1 . . . A 475 ILE HG23 . 19319 1 564 . 1 1 59 59 ILE HD11 H 1 -0.053 0.020 . 1 . . . A 475 ILE HD11 . 19319 1 565 . 1 1 59 59 ILE HD12 H 1 -0.053 0.020 . 1 . . . A 475 ILE HD12 . 19319 1 566 . 1 1 59 59 ILE HD13 H 1 -0.053 0.020 . 1 . . . A 475 ILE HD13 . 19319 1 567 . 1 1 59 59 ILE C C 13 175.966 0.200 . 1 . . . A 475 ILE C . 19319 1 568 . 1 1 59 59 ILE CA C 13 60.210 0.051 . 1 . . . A 475 ILE CA . 19319 1 569 . 1 1 59 59 ILE CB C 13 39.402 0.091 . 1 . . . A 475 ILE CB . 19319 1 570 . 1 1 59 59 ILE CG1 C 13 27.000 0.200 . 1 . . . A 475 ILE CG1 . 19319 1 571 . 1 1 59 59 ILE CG2 C 13 18.612 0.033 . 1 . . . A 475 ILE CG2 . 19319 1 572 . 1 1 59 59 ILE CD1 C 13 15.699 0.029 . 1 . . . A 475 ILE CD1 . 19319 1 573 . 1 1 59 59 ILE N N 15 126.777 0.065 . 1 . . . A 475 ILE N . 19319 1 574 . 1 1 60 60 SER H H 1 9.311 0.011 . 1 . . . A 476 SER H . 19319 1 575 . 1 1 60 60 SER HA H 1 5.031 0.020 . 1 . . . A 476 SER HA . 19319 1 576 . 1 1 60 60 SER HB2 H 1 4.523 0.050 . 2 . . . A 476 SER HB2 . 19319 1 577 . 1 1 60 60 SER HB3 H 1 4.098 0.014 . 2 . . . A 476 SER HB3 . 19319 1 578 . 1 1 60 60 SER C C 13 175.478 0.200 . 1 . . . A 476 SER C . 19319 1 579 . 1 1 60 60 SER CA C 13 56.304 0.067 . 1 . . . A 476 SER CA . 19319 1 580 . 1 1 60 60 SER CB C 13 66.365 0.171 . 1 . . . A 476 SER CB . 19319 1 581 . 1 1 60 60 SER N N 15 124.637 0.116 . 1 . . . A 476 SER N . 19319 1 582 . 1 1 61 61 ARG H H 1 9.160 0.016 . 1 . . . A 477 ARG H . 19319 1 583 . 1 1 61 61 ARG HA H 1 3.571 0.011 . 1 . . . A 477 ARG HA . 19319 1 584 . 1 1 61 61 ARG HB2 H 1 1.507 0.050 . 2 . . . A 477 ARG HB2 . 19319 1 585 . 1 1 61 61 ARG HB3 H 1 1.335 0.006 . 2 . . . A 477 ARG HB3 . 19319 1 586 . 1 1 61 61 ARG HG2 H 1 0.736 0.011 . 2 . . . A 477 ARG HG2 . 19319 1 587 . 1 1 61 61 ARG HG3 H 1 0.909 0.050 . 2 . . . A 477 ARG HG3 . 19319 1 588 . 1 1 61 61 ARG HD3 H 1 2.846 0.018 . 2 . . . A 477 ARG HD3 . 19319 1 589 . 1 1 61 61 ARG C C 13 178.251 0.200 . 1 . . . A 477 ARG C . 19319 1 590 . 1 1 61 61 ARG CA C 13 60.543 0.027 . 1 . . . A 477 ARG CA . 19319 1 591 . 1 1 61 61 ARG CB C 13 29.754 0.102 . 1 . . . A 477 ARG CB . 19319 1 592 . 1 1 61 61 ARG CG C 13 27.453 0.047 . 1 . . . A 477 ARG CG . 19319 1 593 . 1 1 61 61 ARG CD C 13 43.037 0.047 . 1 . . . A 477 ARG CD . 19319 1 594 . 1 1 61 61 ARG N N 15 122.760 0.064 . 1 . . . A 477 ARG N . 19319 1 595 . 1 1 62 62 GLU H H 1 8.814 0.013 . 1 . . . A 478 GLU H . 19319 1 596 . 1 1 62 62 GLU HA H 1 3.956 0.010 . 1 . . . A 478 GLU HA . 19319 1 597 . 1 1 62 62 GLU HB3 H 1 2.069 0.050 . 2 . . . A 478 GLU HB3 . 19319 1 598 . 1 1 62 62 GLU HG2 H 1 2.320 0.050 . 2 . . . A 478 GLU HG2 . 19319 1 599 . 1 1 62 62 GLU HG3 H 1 2.434 0.050 . 2 . . . A 478 GLU HG3 . 19319 1 600 . 1 1 62 62 GLU C C 13 180.022 0.200 . 1 . . . A 478 GLU C . 19319 1 601 . 1 1 62 62 GLU CA C 13 60.330 0.043 . 1 . . . A 478 GLU CA . 19319 1 602 . 1 1 62 62 GLU CB C 13 29.259 0.135 . 1 . . . A 478 GLU CB . 19319 1 603 . 1 1 62 62 GLU CG C 13 36.993 0.200 . 1 . . . A 478 GLU CG . 19319 1 604 . 1 1 62 62 GLU N N 15 117.298 0.042 . 1 . . . A 478 GLU N . 19319 1 605 . 1 1 63 63 GLU H H 1 7.914 0.018 . 1 . . . A 479 GLU H . 19319 1 606 . 1 1 63 63 GLU HA H 1 4.096 0.028 . 1 . . . A 479 GLU HA . 19319 1 607 . 1 1 63 63 GLU HB3 H 1 2.428 0.050 . 2 . . . A 479 GLU HB3 . 19319 1 608 . 1 1 63 63 GLU HG3 H 1 2.623 0.050 . 2 . . . A 479 GLU HG3 . 19319 1 609 . 1 1 63 63 GLU C C 13 179.973 0.200 . 1 . . . A 479 GLU C . 19319 1 610 . 1 1 63 63 GLU CA C 13 58.931 0.082 . 1 . . . A 479 GLU CA . 19319 1 611 . 1 1 63 63 GLU CB C 13 29.504 0.054 . 1 . . . A 479 GLU CB . 19319 1 612 . 1 1 63 63 GLU CG C 13 37.992 0.200 . 1 . . . A 479 GLU CG . 19319 1 613 . 1 1 63 63 GLU N N 15 120.294 0.070 . 1 . . . A 479 GLU N . 19319 1 614 . 1 1 64 64 MET H H 1 8.380 0.012 . 1 . . . A 480 MET H . 19319 1 615 . 1 1 64 64 MET HA H 1 4.059 0.023 . 1 . . . A 480 MET HA . 19319 1 616 . 1 1 64 64 MET HB2 H 1 2.438 0.050 . 2 . . . A 480 MET HB2 . 19319 1 617 . 1 1 64 64 MET HB3 H 1 2.438 0.050 . 2 . . . A 480 MET HB3 . 19319 1 618 . 1 1 64 64 MET HG3 H 1 2.735 0.016 . 2 . . . A 480 MET HG3 . 19319 1 619 . 1 1 64 64 MET C C 13 177.383 0.200 . 1 . . . A 480 MET C . 19319 1 620 . 1 1 64 64 MET CA C 13 59.972 0.037 . 1 . . . A 480 MET CA . 19319 1 621 . 1 1 64 64 MET CB C 13 32.724 0.080 . 1 . . . A 480 MET CB . 19319 1 622 . 1 1 64 64 MET CG C 13 33.950 0.033 . 1 . . . A 480 MET CG . 19319 1 623 . 1 1 64 64 MET CE C 13 16.939 0.200 . 1 . . . A 480 MET CE . 19319 1 624 . 1 1 64 64 MET N N 15 121.696 0.080 . 1 . . . A 480 MET N . 19319 1 625 . 1 1 65 65 VAL H H 1 8.826 0.015 . 1 . . . A 481 VAL H . 19319 1 626 . 1 1 65 65 VAL HA H 1 3.601 0.022 . 1 . . . A 481 VAL HA . 19319 1 627 . 1 1 65 65 VAL HB H 1 2.221 0.050 . 1 . . . A 481 VAL HB . 19319 1 628 . 1 1 65 65 VAL HG11 H 1 1.134 0.010 . 2 . . . A 481 VAL HG11 . 19319 1 629 . 1 1 65 65 VAL HG12 H 1 1.134 0.010 . 2 . . . A 481 VAL HG12 . 19319 1 630 . 1 1 65 65 VAL HG13 H 1 1.134 0.010 . 2 . . . A 481 VAL HG13 . 19319 1 631 . 1 1 65 65 VAL HG21 H 1 1.011 0.050 . 2 . . . A 481 VAL HG21 . 19319 1 632 . 1 1 65 65 VAL HG22 H 1 1.011 0.050 . 2 . . . A 481 VAL HG22 . 19319 1 633 . 1 1 65 65 VAL HG23 H 1 1.011 0.050 . 2 . . . A 481 VAL HG23 . 19319 1 634 . 1 1 65 65 VAL C C 13 177.582 0.200 . 1 . . . A 481 VAL C . 19319 1 635 . 1 1 65 65 VAL CA C 13 67.684 0.001 . 1 . . . A 481 VAL CA . 19319 1 636 . 1 1 65 65 VAL CB C 13 32.296 0.153 . 1 . . . A 481 VAL CB . 19319 1 637 . 1 1 65 65 VAL CG1 C 13 23.796 0.063 . 2 . . . A 481 VAL CG1 . 19319 1 638 . 1 1 65 65 VAL CG2 C 13 21.158 0.200 . 2 . . . A 481 VAL CG2 . 19319 1 639 . 1 1 65 65 VAL N N 15 119.893 0.180 . 1 . . . A 481 VAL N . 19319 1 640 . 1 1 66 66 SER H H 1 8.199 0.016 . 1 . . . A 482 SER H . 19319 1 641 . 1 1 66 66 SER HA H 1 4.155 0.025 . 1 . . . A 482 SER HA . 19319 1 642 . 1 1 66 66 SER HB2 H 1 4.079 0.050 . 2 . . . A 482 SER HB2 . 19319 1 643 . 1 1 66 66 SER HB3 H 1 4.291 0.050 . 2 . . . A 482 SER HB3 . 19319 1 644 . 1 1 66 66 SER C C 13 176.886 0.200 . 1 . . . A 482 SER C . 19319 1 645 . 1 1 66 66 SER CA C 13 61.962 0.128 . 1 . . . A 482 SER CA . 19319 1 646 . 1 1 66 66 SER CB C 13 63.190 0.196 . 1 . . . A 482 SER CB . 19319 1 647 . 1 1 66 66 SER N N 15 112.628 0.035 . 1 . . . A 482 SER N . 19319 1 648 . 1 1 67 67 TYR H H 1 7.967 0.012 . 1 . . . A 483 TYR H . 19319 1 649 . 1 1 67 67 TYR HA H 1 4.109 0.023 . 1 . . . A 483 TYR HA . 19319 1 650 . 1 1 67 67 TYR HB2 H 1 3.011 0.011 . 2 . . . A 483 TYR HB2 . 19319 1 651 . 1 1 67 67 TYR HB3 H 1 3.214 0.004 . 2 . . . A 483 TYR HB3 . 19319 1 652 . 1 1 67 67 TYR HE1 H 1 6.598 0.050 . 3 . . . A 483 TYR HE1 . 19319 1 653 . 1 1 67 67 TYR C C 13 178.024 0.200 . 1 . . . A 483 TYR C . 19319 1 654 . 1 1 67 67 TYR CA C 13 61.735 0.052 . 1 . . . A 483 TYR CA . 19319 1 655 . 1 1 67 67 TYR CB C 13 38.432 0.036 . 1 . . . A 483 TYR CB . 19319 1 656 . 1 1 67 67 TYR N N 15 120.666 0.080 . 1 . . . A 483 TYR N . 19319 1 657 . 1 1 68 68 PHE H H 1 8.286 0.013 . 1 . . . A 484 PHE H . 19319 1 658 . 1 1 68 68 PHE HA H 1 4.123 0.014 . 1 . . . A 484 PHE HA . 19319 1 659 . 1 1 68 68 PHE HB3 H 1 3.114 0.050 . 2 . . . A 484 PHE HB3 . 19319 1 660 . 1 1 68 68 PHE C C 13 178.276 0.200 . 1 . . . A 484 PHE C . 19319 1 661 . 1 1 68 68 PHE CA C 13 61.529 0.076 . 1 . . . A 484 PHE CA . 19319 1 662 . 1 1 68 68 PHE CB C 13 39.357 0.121 . 1 . . . A 484 PHE CB . 19319 1 663 . 1 1 68 68 PHE N N 15 119.814 0.137 . 1 . . . A 484 PHE N . 19319 1 664 . 1 1 69 69 LEU H H 1 8.545 0.031 . 1 . . . A 485 LEU H . 19319 1 665 . 1 1 69 69 LEU HA H 1 4.131 0.023 . 1 . . . A 485 LEU HA . 19319 1 666 . 1 1 69 69 LEU HB2 H 1 1.914 0.003 . 2 . . . A 485 LEU HB2 . 19319 1 667 . 1 1 69 69 LEU HB3 H 1 2.313 0.050 . 2 . . . A 485 LEU HB3 . 19319 1 668 . 1 1 69 69 LEU HG H 1 1.664 0.050 . 1 . . . A 485 LEU HG . 19319 1 669 . 1 1 69 69 LEU HD11 H 1 0.949 0.050 . 2 . . . A 485 LEU HD11 . 19319 1 670 . 1 1 69 69 LEU HD12 H 1 0.949 0.050 . 2 . . . A 485 LEU HD12 . 19319 1 671 . 1 1 69 69 LEU HD13 H 1 0.949 0.050 . 2 . . . A 485 LEU HD13 . 19319 1 672 . 1 1 69 69 LEU C C 13 179.345 0.200 . 1 . . . A 485 LEU C . 19319 1 673 . 1 1 69 69 LEU CA C 13 57.992 0.103 . 1 . . . A 485 LEU CA . 19319 1 674 . 1 1 69 69 LEU CB C 13 42.326 0.089 . 1 . . . A 485 LEU CB . 19319 1 675 . 1 1 69 69 LEU CG C 13 27.045 0.200 . 1 . . . A 485 LEU CG . 19319 1 676 . 1 1 69 69 LEU CD1 C 13 25.892 0.179 . 2 . . . A 485 LEU CD1 . 19319 1 677 . 1 1 69 69 LEU CD2 C 13 23.954 0.200 . 2 . . . A 485 LEU CD2 . 19319 1 678 . 1 1 69 69 LEU N N 15 119.328 0.161 . 1 . . . A 485 LEU N . 19319 1 679 . 1 1 70 70 ARG H H 1 7.874 0.025 . 1 . . . A 486 ARG H . 19319 1 680 . 1 1 70 70 ARG HA H 1 4.339 0.013 . 1 . . . A 486 ARG HA . 19319 1 681 . 1 1 70 70 ARG HB2 H 1 1.777 0.050 . 2 . . . A 486 ARG HB2 . 19319 1 682 . 1 1 70 70 ARG HB3 H 1 1.919 0.050 . 2 . . . A 486 ARG HB3 . 19319 1 683 . 1 1 70 70 ARG HD3 H 1 3.202 0.004 . 2 . . . A 486 ARG HD3 . 19319 1 684 . 1 1 70 70 ARG C C 13 177.754 0.200 . 1 . . . A 486 ARG C . 19319 1 685 . 1 1 70 70 ARG CA C 13 57.847 0.060 . 1 . . . A 486 ARG CA . 19319 1 686 . 1 1 70 70 ARG CB C 13 30.408 0.008 . 1 . . . A 486 ARG CB . 19319 1 687 . 1 1 70 70 ARG CG C 13 27.519 0.200 . 1 . . . A 486 ARG CG . 19319 1 688 . 1 1 70 70 ARG CD C 13 43.738 0.071 . 1 . . . A 486 ARG CD . 19319 1 689 . 1 1 70 70 ARG N N 15 117.497 0.086 . 1 . . . A 486 ARG N . 19319 1 690 . 1 1 71 71 SER H H 1 7.709 0.008 . 1 . . . A 487 SER H . 19319 1 691 . 1 1 71 71 SER HA H 1 4.483 0.050 . 1 . . . A 487 SER HA . 19319 1 692 . 1 1 71 71 SER CA C 13 58.424 0.200 . 1 . . . A 487 SER CA . 19319 1 693 . 1 1 71 71 SER CB C 13 63.587 0.200 . 1 . . . A 487 SER CB . 19319 1 694 . 1 1 71 71 SER N N 15 114.803 0.046 . 1 . . . A 487 SER N . 19319 1 695 . 1 1 73 73 SER HA H 1 4.403 0.050 . 1 . . . A 489 SER HA . 19319 1 696 . 1 1 73 73 SER C C 13 175.352 0.200 . 1 . . . A 489 SER C . 19319 1 697 . 1 1 73 73 SER CA C 13 59.994 0.017 . 1 . . . A 489 SER CA . 19319 1 698 . 1 1 73 73 SER CB C 13 63.674 0.174 . 1 . . . A 489 SER CB . 19319 1 699 . 1 1 74 74 VAL H H 1 7.712 0.011 . 1 . . . A 490 VAL H . 19319 1 700 . 1 1 74 74 VAL HA H 1 4.135 0.016 . 1 . . . A 490 VAL HA . 19319 1 701 . 1 1 74 74 VAL HB H 1 2.188 0.050 . 1 . . . A 490 VAL HB . 19319 1 702 . 1 1 74 74 VAL HG11 H 1 0.963 0.050 . 2 . . . A 490 VAL HG11 . 19319 1 703 . 1 1 74 74 VAL HG12 H 1 0.963 0.050 . 2 . . . A 490 VAL HG12 . 19319 1 704 . 1 1 74 74 VAL HG13 H 1 0.963 0.050 . 2 . . . A 490 VAL HG13 . 19319 1 705 . 1 1 74 74 VAL C C 13 176.712 0.200 . 1 . . . A 490 VAL C . 19319 1 706 . 1 1 74 74 VAL CA C 13 63.171 0.017 . 1 . . . A 490 VAL CA . 19319 1 707 . 1 1 74 74 VAL CB C 13 32.586 0.100 . 1 . . . A 490 VAL CB . 19319 1 708 . 1 1 74 74 VAL CG1 C 13 21.205 0.200 . 2 . . . A 490 VAL CG1 . 19319 1 709 . 1 1 74 74 VAL CG2 C 13 20.744 0.200 . 2 . . . A 490 VAL CG2 . 19319 1 710 . 1 1 74 74 VAL N N 15 119.206 0.103 . 1 . . . A 490 VAL N . 19319 1 711 . 1 1 75 75 LEU H H 1 7.884 0.019 . 1 . . . A 491 LEU H . 19319 1 712 . 1 1 75 75 LEU HA H 1 4.265 0.023 . 1 . . . A 491 LEU HA . 19319 1 713 . 1 1 75 75 LEU HB3 H 1 1.663 0.050 . 2 . . . A 491 LEU HB3 . 19319 1 714 . 1 1 75 75 LEU HG H 1 1.567 0.050 . 1 . . . A 491 LEU HG . 19319 1 715 . 1 1 75 75 LEU HD11 H 1 0.822 0.020 . 2 . . . A 491 LEU HD11 . 19319 1 716 . 1 1 75 75 LEU HD12 H 1 0.822 0.020 . 2 . . . A 491 LEU HD12 . 19319 1 717 . 1 1 75 75 LEU HD13 H 1 0.822 0.020 . 2 . . . A 491 LEU HD13 . 19319 1 718 . 1 1 75 75 LEU C C 13 177.854 0.200 . 1 . . . A 491 LEU C . 19319 1 719 . 1 1 75 75 LEU CA C 13 55.741 0.102 . 1 . . . A 491 LEU CA . 19319 1 720 . 1 1 75 75 LEU CB C 13 42.369 0.026 . 1 . . . A 491 LEU CB . 19319 1 721 . 1 1 75 75 LEU CG C 13 27.020 0.200 . 1 . . . A 491 LEU CG . 19319 1 722 . 1 1 75 75 LEU CD1 C 13 23.280 0.046 . 2 . . . A 491 LEU CD1 . 19319 1 723 . 1 1 75 75 LEU CD2 C 13 25.369 0.051 . 2 . . . A 491 LEU CD2 . 19319 1 724 . 1 1 75 75 LEU N N 15 121.134 0.098 . 1 . . . A 491 LEU N . 19319 1 725 . 1 1 76 76 GLY H H 1 8.060 0.011 . 1 . . . A 492 GLY H . 19319 1 726 . 1 1 76 76 GLY HA2 H 1 3.916 0.050 . 2 . . . A 492 GLY HA2 . 19319 1 727 . 1 1 76 76 GLY HA3 H 1 3.799 0.050 . 2 . . . A 492 GLY HA3 . 19319 1 728 . 1 1 76 76 GLY C C 13 175.077 0.200 . 1 . . . A 492 GLY C . 19319 1 729 . 1 1 76 76 GLY CA C 13 46.322 0.106 . 1 . . . A 492 GLY CA . 19319 1 730 . 1 1 76 76 GLY N N 15 107.992 0.041 . 1 . . . A 492 GLY N . 19319 1 731 . 1 1 77 77 GLY H H 1 8.232 0.017 . 1 . . . A 493 GLY H . 19319 1 732 . 1 1 77 77 GLY HA2 H 1 3.961 0.050 . 2 . . . A 493 GLY HA2 . 19319 1 733 . 1 1 77 77 GLY HA3 H 1 3.910 0.050 . 2 . . . A 493 GLY HA3 . 19319 1 734 . 1 1 77 77 GLY C C 13 174.683 0.200 . 1 . . . A 493 GLY C . 19319 1 735 . 1 1 77 77 GLY CA C 13 45.897 0.154 . 1 . . . A 493 GLY CA . 19319 1 736 . 1 1 77 77 GLY N N 15 108.638 0.070 . 1 . . . A 493 GLY N . 19319 1 737 . 1 1 78 78 ARG H H 1 7.967 0.010 . 1 . . . A 494 ARG H . 19319 1 738 . 1 1 78 78 ARG HA H 1 4.318 0.026 . 1 . . . A 494 ARG HA . 19319 1 739 . 1 1 78 78 ARG HB2 H 1 1.828 0.050 . 2 . . . A 494 ARG HB2 . 19319 1 740 . 1 1 78 78 ARG HB3 H 1 1.716 0.014 . 2 . . . A 494 ARG HB3 . 19319 1 741 . 1 1 78 78 ARG HG3 H 1 1.577 0.050 . 2 . . . A 494 ARG HG3 . 19319 1 742 . 1 1 78 78 ARG HD3 H 1 3.055 0.025 . 2 . . . A 494 ARG HD3 . 19319 1 743 . 1 1 78 78 ARG C C 13 176.335 0.200 . 1 . . . A 494 ARG C . 19319 1 744 . 1 1 78 78 ARG CA C 13 56.345 0.037 . 1 . . . A 494 ARG CA . 19319 1 745 . 1 1 78 78 ARG CB C 13 30.953 0.112 . 1 . . . A 494 ARG CB . 19319 1 746 . 1 1 78 78 ARG CG C 13 27.184 0.200 . 1 . . . A 494 ARG CG . 19319 1 747 . 1 1 78 78 ARG CD C 13 43.406 0.095 . 1 . . . A 494 ARG CD . 19319 1 748 . 1 1 78 78 ARG N N 15 119.640 0.069 . 1 . . . A 494 ARG N . 19319 1 749 . 1 1 79 79 MET H H 1 8.182 0.008 . 1 . . . A 495 MET H . 19319 1 750 . 1 1 79 79 MET HA H 1 4.392 0.015 . 1 . . . A 495 MET HA . 19319 1 751 . 1 1 79 79 MET HB3 H 1 2.473 0.050 . 2 . . . A 495 MET HB3 . 19319 1 752 . 1 1 79 79 MET C C 13 175.852 0.200 . 1 . . . A 495 MET C . 19319 1 753 . 1 1 79 79 MET CA C 13 55.884 0.076 . 1 . . . A 495 MET CA . 19319 1 754 . 1 1 79 79 MET CB C 13 33.333 0.018 . 1 . . . A 495 MET CB . 19319 1 755 . 1 1 79 79 MET N N 15 119.079 0.096 . 1 . . . A 495 MET N . 19319 1 756 . 1 1 80 80 GLY H H 1 8.036 0.010 . 1 . . . A 496 GLY H . 19319 1 757 . 1 1 80 80 GLY HA2 H 1 3.795 0.008 . 2 . . . A 496 GLY HA2 . 19319 1 758 . 1 1 80 80 GLY HA3 H 1 3.959 0.050 . 2 . . . A 496 GLY HA3 . 19319 1 759 . 1 1 80 80 GLY C C 13 172.922 0.200 . 1 . . . A 496 GLY C . 19319 1 760 . 1 1 80 80 GLY CA C 13 45.613 0.076 . 1 . . . A 496 GLY CA . 19319 1 761 . 1 1 80 80 GLY N N 15 108.581 0.069 . 1 . . . A 496 GLY N . 19319 1 762 . 1 1 81 81 PHE H H 1 7.566 0.014 . 1 . . . A 497 PHE H . 19319 1 763 . 1 1 81 81 PHE HA H 1 4.436 0.050 . 1 . . . A 497 PHE HA . 19319 1 764 . 1 1 81 81 PHE CA C 13 58.763 0.200 . 1 . . . A 497 PHE CA . 19319 1 765 . 1 1 81 81 PHE CB C 13 40.475 0.200 . 1 . . . A 497 PHE CB . 19319 1 766 . 1 1 81 81 PHE N N 15 124.212 0.050 . 1 . . . A 497 PHE N . 19319 1 stop_ save_