data_18338 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18338 _Entry.Title ; C-terminal propeptide (PPc) region of vibrio extracellular metalloprotease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-20 _Entry.Accession_date 2012-03-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'C-terminal propeptide (PPc) region of vibrio extracellular metalloprotease' _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 Ji-Hye Yun . . . 18338 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18338 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 18338 '15N chemical shifts' 102 18338 '1H chemical shifts' 631 18338 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-11 2012-03-20 update BMRB 'update entry citation' 18338 1 . . 2013-01-03 2012-03-20 original author 'original release' 18338 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LUW 'BMRB Entry Tracking System' 18338 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18338 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23228665 _Citation.Full_citation . _Citation.Title 'Solution structure and dynamics of C-terminal regulatory domain of Vibrio vulnificus extracellular metalloprotease.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 430 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 541 _Citation.Page_last 546 _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 Ji-Hye Yun . . . 18338 1 2 Heeyoun Kim . . . 18338 1 3 'Jung Eun' Park . . . 18338 1 4 'Jung Sup' Lee . . . 18338 1 5 Weontae Lee . . . 18338 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18338 _Assembly.ID 1 _Assembly.Name PPc _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 PPc 1 $C-terminal_propeptide_(PPc)_region_of_vibrio_extracellular_metalloprotease A . no native no no . . . 18338 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-terminal_propeptide_(PPc)_region_of_vibrio_extracellular_metalloprotease _Entity.Sf_category entity _Entity.Sf_framecode C-terminal_propeptide_(PPc)_region_of_vibrio_extracellular_metalloprotease _Entity.Entry_ID 18338 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-terminal_propeptide_(PPc)_region_of_vibrio_extracellular_metalloprotease _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNVLKNNTPVSNLTGNKGSE VFYTFTVDRNATAVVSISGG SGDADLYLKAGSKPTTSSWD CRPYRYGNNESCSVSAAPGT TYHVMIKGYSNYSGVTLKLQ Y ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LUW . "Solution Structure Of Vep C-ter 100" . . . . . 99.01 101 100.00 100.00 8.85e-65 . . . . 18338 1 2 no DBJ BAC22940 . "protease [Vibrio vulnificus]" . . . . . 100.00 609 98.02 99.01 3.74e-60 . . . . 18338 1 3 no DBJ BAC97491 . "Zinc metalloprotease, vibriolysin [Vibrio vulnificus YJ016]" . . . . . 100.00 636 100.00 100.00 2.69e-61 . . . . 18338 1 4 no DBJ BAI66359 . "metalloprotease [Vibrio vulnificus]" . . . . . 100.00 609 98.02 100.00 1.21e-60 . . . . 18338 1 5 no DBJ BAI66360 . "metalloprotease [Vibrio vulnificus]" . . . . . 100.00 609 98.02 100.00 1.21e-60 . . . . 18338 1 6 no DBJ BAI66361 . "metalloprotease [Vibrio vulnificus]" . . . . . 100.00 609 100.00 100.00 2.54e-61 . . . . 18338 1 7 no EMBL CAM34546 . "metalloprotease [Vibrio vulnificus]" . . . . . 100.00 609 100.00 100.00 2.65e-61 . . . . 18338 1 8 no GB AAC44789 . "zinc metalloprotease [Vibrio vulnificus]" . . . . . 100.00 609 99.01 99.01 4.61e-60 . . . . 18338 1 9 no GB AAC45343 . "metalloprotease [Vibrio vulnificus]" . . . . . 77.23 606 98.72 100.00 5.62e-44 . . . . 18338 1 10 no GB AAC72410 . "metalloprotease [Vibrio vulnificus]" . . . . . 100.00 609 98.02 99.01 4.15e-60 . . . . 18338 1 11 no GB AAO07886 . "Neutral protease precursor [Vibrio vulnificus CMCP6]" . . . . . 100.00 609 98.02 100.00 1.25e-60 . . . . 18338 1 12 no GB ABI95803 . "zinc metalloprotease [Vibrio vulnificus]" . . . . . 100.00 609 100.00 100.00 2.65e-61 . . . . 18338 1 13 no REF WP_011081880 . "hemagglutinin [Vibrio vulnificus]" . . . . . 100.00 609 98.02 100.00 1.25e-60 . . . . 18338 1 14 no REF WP_015728348 . "hemagglutinin [Vibrio vulnificus]" . . . . . 100.00 609 100.00 100.00 2.44e-61 . . . . 18338 1 15 no REF WP_026050529 . "hemagglutinin [Vibrio vulnificus]" . . . . . 100.00 609 100.00 100.00 1.68e-61 . . . . 18338 1 16 no REF WP_026130953 . "hemagglutinin [Vibrio vulnificus]" . . . . . 100.00 609 99.01 100.00 6.82e-61 . . . . 18338 1 17 no REF WP_038940484 . "hemagglutinin [Vibrio vulnificus]" . . . . . 100.00 609 99.01 99.01 1.09e-60 . . . . 18338 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 1 509 GLY . 18338 1 2 510 ASN . 18338 1 3 511 VAL . 18338 1 4 512 LEU . 18338 1 5 513 LYS . 18338 1 6 514 ASN . 18338 1 7 515 ASN . 18338 1 8 516 THR . 18338 1 9 517 PRO . 18338 1 10 518 VAL . 18338 1 11 519 SER . 18338 1 12 520 ASN . 18338 1 13 521 LEU . 18338 1 14 522 THR . 18338 1 15 523 GLY . 18338 1 16 524 ASN . 18338 1 17 525 LYS . 18338 1 18 526 GLY . 18338 1 19 527 SER . 18338 1 20 528 GLU . 18338 1 21 529 VAL . 18338 1 22 530 PHE . 18338 1 23 531 TYR . 18338 1 24 532 THR . 18338 1 25 533 PHE . 18338 1 26 534 THR . 18338 1 27 535 VAL . 18338 1 28 536 ASP . 18338 1 29 537 ARG . 18338 1 30 538 ASN . 18338 1 31 539 ALA . 18338 1 32 540 THR . 18338 1 33 541 ALA . 18338 1 34 542 VAL . 18338 1 35 543 VAL . 18338 1 36 544 SER . 18338 1 37 545 ILE . 18338 1 38 546 SER . 18338 1 39 547 GLY . 18338 1 40 548 GLY . 18338 1 41 549 SER . 18338 1 42 550 GLY . 18338 1 43 551 ASP . 18338 1 44 552 ALA . 18338 1 45 553 ASP . 18338 1 46 554 LEU . 18338 1 47 555 TYR . 18338 1 48 556 LEU . 18338 1 49 557 LYS . 18338 1 50 558 ALA . 18338 1 51 559 GLY . 18338 1 52 560 SER . 18338 1 53 561 LYS . 18338 1 54 562 PRO . 18338 1 55 563 THR . 18338 1 56 564 THR . 18338 1 57 565 SER . 18338 1 58 566 SER . 18338 1 59 567 TRP . 18338 1 60 568 ASP . 18338 1 61 569 CYS . 18338 1 62 570 ARG . 18338 1 63 571 PRO . 18338 1 64 572 TYR . 18338 1 65 573 ARG . 18338 1 66 574 TYR . 18338 1 67 575 GLY . 18338 1 68 576 ASN . 18338 1 69 577 ASN . 18338 1 70 578 GLU . 18338 1 71 579 SER . 18338 1 72 580 CYS . 18338 1 73 581 SER . 18338 1 74 582 VAL . 18338 1 75 583 SER . 18338 1 76 584 ALA . 18338 1 77 585 ALA . 18338 1 78 586 PRO . 18338 1 79 587 GLY . 18338 1 80 588 THR . 18338 1 81 589 THR . 18338 1 82 590 TYR . 18338 1 83 591 HIS . 18338 1 84 592 VAL . 18338 1 85 593 MET . 18338 1 86 594 ILE . 18338 1 87 595 LYS . 18338 1 88 596 GLY . 18338 1 89 597 TYR . 18338 1 90 598 SER . 18338 1 91 599 ASN . 18338 1 92 600 TYR . 18338 1 93 601 SER . 18338 1 94 602 GLY . 18338 1 95 603 VAL . 18338 1 96 604 THR . 18338 1 97 605 LEU . 18338 1 98 606 LYS . 18338 1 99 607 LEU . 18338 1 100 608 GLN . 18338 1 101 609 TYR . 18338 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18338 1 . ASN 2 2 18338 1 . VAL 3 3 18338 1 . LEU 4 4 18338 1 . LYS 5 5 18338 1 . ASN 6 6 18338 1 . ASN 7 7 18338 1 . THR 8 8 18338 1 . PRO 9 9 18338 1 . VAL 10 10 18338 1 . SER 11 11 18338 1 . ASN 12 12 18338 1 . LEU 13 13 18338 1 . THR 14 14 18338 1 . GLY 15 15 18338 1 . ASN 16 16 18338 1 . LYS 17 17 18338 1 . GLY 18 18 18338 1 . SER 19 19 18338 1 . GLU 20 20 18338 1 . VAL 21 21 18338 1 . PHE 22 22 18338 1 . TYR 23 23 18338 1 . THR 24 24 18338 1 . PHE 25 25 18338 1 . THR 26 26 18338 1 . VAL 27 27 18338 1 . ASP 28 28 18338 1 . ARG 29 29 18338 1 . ASN 30 30 18338 1 . ALA 31 31 18338 1 . THR 32 32 18338 1 . ALA 33 33 18338 1 . VAL 34 34 18338 1 . VAL 35 35 18338 1 . SER 36 36 18338 1 . ILE 37 37 18338 1 . SER 38 38 18338 1 . GLY 39 39 18338 1 . GLY 40 40 18338 1 . SER 41 41 18338 1 . GLY 42 42 18338 1 . ASP 43 43 18338 1 . ALA 44 44 18338 1 . ASP 45 45 18338 1 . LEU 46 46 18338 1 . TYR 47 47 18338 1 . LEU 48 48 18338 1 . LYS 49 49 18338 1 . ALA 50 50 18338 1 . GLY 51 51 18338 1 . SER 52 52 18338 1 . LYS 53 53 18338 1 . PRO 54 54 18338 1 . THR 55 55 18338 1 . THR 56 56 18338 1 . SER 57 57 18338 1 . SER 58 58 18338 1 . TRP 59 59 18338 1 . ASP 60 60 18338 1 . CYS 61 61 18338 1 . ARG 62 62 18338 1 . PRO 63 63 18338 1 . TYR 64 64 18338 1 . ARG 65 65 18338 1 . TYR 66 66 18338 1 . GLY 67 67 18338 1 . ASN 68 68 18338 1 . ASN 69 69 18338 1 . GLU 70 70 18338 1 . SER 71 71 18338 1 . CYS 72 72 18338 1 . SER 73 73 18338 1 . VAL 74 74 18338 1 . SER 75 75 18338 1 . ALA 76 76 18338 1 . ALA 77 77 18338 1 . PRO 78 78 18338 1 . GLY 79 79 18338 1 . THR 80 80 18338 1 . THR 81 81 18338 1 . TYR 82 82 18338 1 . HIS 83 83 18338 1 . VAL 84 84 18338 1 . MET 85 85 18338 1 . ILE 86 86 18338 1 . LYS 87 87 18338 1 . GLY 88 88 18338 1 . TYR 89 89 18338 1 . SER 90 90 18338 1 . ASN 91 91 18338 1 . TYR 92 92 18338 1 . SER 93 93 18338 1 . GLY 94 94 18338 1 . VAL 95 95 18338 1 . THR 96 96 18338 1 . LEU 97 97 18338 1 . LYS 98 98 18338 1 . LEU 99 99 18338 1 . GLN 100 100 18338 1 . TYR 101 101 18338 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18338 _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 $C-terminal_propeptide_(PPc)_region_of_vibrio_extracellular_metalloprotease . 672 organism . 'vibrio vulnificus' 'vibrio vulnificus' . . Bacteria . vibrio vulnificus . . . . . . . . . . . . . . . . . . . . . 18338 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 18338 _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 $C-terminal_propeptide_(PPc)_region_of_vibrio_extracellular_metalloprotease . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET32a . . . . . . 18338 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PPc_domain_of_vEP _Sample.Sf_category sample _Sample.Sf_framecode PPc_domain_of_vEP _Sample.Entry_ID 18338 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'PPc protein' '[U-100% 15N]' . . 1 $C-terminal_propeptide_(PPc)_region_of_vibrio_extracellular_metalloprotease . . 0.6 . . mM . . . . 18338 1 2 'HEPES (pH 7.0)' 'natural abundance' . . . . . . 20 . . mM . . . . 18338 1 3 'Sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18338 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18338 1 5 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 18338 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18338 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18338 1 stop_ save_ save_PPc_domain_of_vEP_2 _Sample.Sf_category sample _Sample.Sf_framecode PPc_domain_of_vEP_2 _Sample.Entry_ID 18338 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'PPc protein' '[U-100% 13C; U-100% 15N]' . . 1 $C-terminal_propeptide_(PPc)_region_of_vibrio_extracellular_metalloprotease . . 0.6 . . mM . . . . 18338 2 2 'HEPES (pH 7.0)' 'natural abundance' . . . . . . 20 . . mM . . . . 18338 2 3 'Sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18338 2 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18338 2 5 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 18338 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18338 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18338 2 stop_ save_ ####################### # Sample conditions # ####################### save_0.6mM_PPc_protein _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 0.6mM_PPc_protein _Sample_condition_list.Entry_ID 18338 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 15N labeled, Final concentration is 0.6mM ; 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' 20 . mM 18338 1 pH 7.0 . pH 18338 1 pressure 1 . atm 18338 1 temperature 298 . K 18338 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18338 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18338 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18338 1 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 18338 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18338 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18338 _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 DRX . 500 . . . 18338 1 2 spectrometer_2 Bruker DRX . 900 . . . 18338 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 18338 _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 $PPc_domain_of_vEP isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $PPc_domain_of_vEP isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $PPc_domain_of_vEP_2 isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 4 '3D HNCACB' no . . . . . . . . . . 2 $PPc_domain_of_vEP_2 isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $PPc_domain_of_vEP_2 isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 6 '3D HNCA' no . . . . . . . . . . 2 $PPc_domain_of_vEP_2 isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 7 '3D HNCO' no . . . . . . . . . . 2 $PPc_domain_of_vEP_2 isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $PPc_domain_of_vEP_2 isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $PPc_domain_of_vEP_2 isotropic . . 1 $0.6mM_PPc_protein . . . . . . . . . . . . . . . . . . . . . 18338 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18338 _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 . . . . . . . . . 18338 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18338 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18338 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_of_PPc_region _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_of_PPc_region _Assigned_chem_shift_list.Entry_ID 18338 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $0.6mM_PPc_protein _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18338 1 2 '3D 1H-15N NOESY' . . . 18338 1 4 '3D HNCACB' . . . 18338 1 5 '3D HBHA(CO)NH' . . . 18338 1 6 '3D HNCA' . . . 18338 1 7 '3D HNCO' . . . 18338 1 9 '3D HCCH-TOCSY' . . . 18338 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 4.781 0.007 . . . . . . 510 ASN HA . 18338 1 2 . 1 1 2 2 ASN HB2 H 1 2.684 0.007 . . . . . . 510 ASN HB2 . 18338 1 3 . 1 1 2 2 ASN HB3 H 1 2.539 0.004 . . . . . . 510 ASN HB3 . 18338 1 4 . 1 1 2 2 ASN C C 13 173.968 0.000 . . . . . . 510 ASN C . 18338 1 5 . 1 1 2 2 ASN CA C 13 52.741 0.122 . . . . . . 510 ASN CA . 18338 1 6 . 1 1 2 2 ASN CB C 13 38.630 0.039 . . . . . . 510 ASN CB . 18338 1 7 . 1 1 3 3 VAL H H 1 8.265 0.006 . . . . . . 511 VAL H . 18338 1 8 . 1 1 3 3 VAL HA H 1 4.759 0.003 . . . . . . 511 VAL HA . 18338 1 9 . 1 1 3 3 VAL HB H 1 1.934 0.006 . . . . . . 511 VAL HB . 18338 1 10 . 1 1 3 3 VAL HG11 H 1 0.920 0.006 . . . . . . 511 VAL HG1 . 18338 1 11 . 1 1 3 3 VAL HG12 H 1 0.920 0.006 . . . . . . 511 VAL HG1 . 18338 1 12 . 1 1 3 3 VAL HG13 H 1 0.920 0.006 . . . . . . 511 VAL HG1 . 18338 1 13 . 1 1 3 3 VAL HG21 H 1 0.859 0.007 . . . . . . 511 VAL HG2 . 18338 1 14 . 1 1 3 3 VAL HG22 H 1 0.859 0.007 . . . . . . 511 VAL HG2 . 18338 1 15 . 1 1 3 3 VAL HG23 H 1 0.859 0.007 . . . . . . 511 VAL HG2 . 18338 1 16 . 1 1 3 3 VAL C C 13 176.909 0.000 . . . . . . 511 VAL C . 18338 1 17 . 1 1 3 3 VAL CA C 13 61.722 0.062 . . . . . . 511 VAL CA . 18338 1 18 . 1 1 3 3 VAL CB C 13 33.686 0.021 . . . . . . 511 VAL CB . 18338 1 19 . 1 1 3 3 VAL CG1 C 13 21.491 0.039 . . . . . . 511 VAL CG1 . 18338 1 20 . 1 1 3 3 VAL CG2 C 13 21.181 0.003 . . . . . . 511 VAL CG2 . 18338 1 21 . 1 1 3 3 VAL N N 15 122.825 0.059 . . . . . . 511 VAL N . 18338 1 22 . 1 1 4 4 LEU H H 1 9.280 0.007 . . . . . . 512 LEU H . 18338 1 23 . 1 1 4 4 LEU HA H 1 4.682 0.007 . . . . . . 512 LEU HA . 18338 1 24 . 1 1 4 4 LEU HB2 H 1 1.593 0.005 . . . . . . 512 LEU HB2 . 18338 1 25 . 1 1 4 4 LEU HB3 H 1 1.546 0.005 . . . . . . 512 LEU HB3 . 18338 1 26 . 1 1 4 4 LEU HG H 1 1.609 0.004 . . . . . . 512 LEU HG . 18338 1 27 . 1 1 4 4 LEU HD11 H 1 0.647 0.005 . . . . . . 512 LEU HD1 . 18338 1 28 . 1 1 4 4 LEU HD12 H 1 0.647 0.005 . . . . . . 512 LEU HD1 . 18338 1 29 . 1 1 4 4 LEU HD13 H 1 0.647 0.005 . . . . . . 512 LEU HD1 . 18338 1 30 . 1 1 4 4 LEU HD21 H 1 0.565 0.003 . . . . . . 512 LEU HD2 . 18338 1 31 . 1 1 4 4 LEU HD22 H 1 0.565 0.003 . . . . . . 512 LEU HD2 . 18338 1 32 . 1 1 4 4 LEU HD23 H 1 0.565 0.003 . . . . . . 512 LEU HD2 . 18338 1 33 . 1 1 4 4 LEU C C 13 174.940 0.000 . . . . . . 512 LEU C . 18338 1 34 . 1 1 4 4 LEU CA C 13 54.033 0.036 . . . . . . 512 LEU CA . 18338 1 35 . 1 1 4 4 LEU CB C 13 44.267 0.051 . . . . . . 512 LEU CB . 18338 1 36 . 1 1 4 4 LEU CG C 13 27.042 0.027 . . . . . . 512 LEU CG . 18338 1 37 . 1 1 4 4 LEU CD1 C 13 24.415 0.006 . . . . . . 512 LEU CD1 . 18338 1 38 . 1 1 4 4 LEU N N 15 129.804 0.026 . . . . . . 512 LEU N . 18338 1 39 . 1 1 5 5 LYS H H 1 9.128 0.011 . . . . . . 513 LYS H . 18338 1 40 . 1 1 5 5 LYS HA H 1 4.646 0.005 . . . . . . 513 LYS HA . 18338 1 41 . 1 1 5 5 LYS HB2 H 1 1.825 0.004 . . . . . . 513 LYS HB2 . 18338 1 42 . 1 1 5 5 LYS HB3 H 1 1.664 0.005 . . . . . . 513 LYS HB3 . 18338 1 43 . 1 1 5 5 LYS HG2 H 1 1.525 0.003 . . . . . . 513 LYS HG2 . 18338 1 44 . 1 1 5 5 LYS HG3 H 1 1.443 0.003 . . . . . . 513 LYS HG3 . 18338 1 45 . 1 1 5 5 LYS HD2 H 1 1.717 0.005 . . . . . . 513 LYS HD . 18338 1 46 . 1 1 5 5 LYS HD3 H 1 1.717 0.005 . . . . . . 513 LYS HD . 18338 1 47 . 1 1 5 5 LYS HE2 H 1 2.990 0.004 . . . . . . 513 LYS HE . 18338 1 48 . 1 1 5 5 LYS HE3 H 1 2.990 0.004 . . . . . . 513 LYS HE . 18338 1 49 . 1 1 5 5 LYS C C 13 177.066 0.000 . . . . . . 513 LYS C . 18338 1 50 . 1 1 5 5 LYS CA C 13 53.964 0.037 . . . . . . 513 LYS CA . 18338 1 51 . 1 1 5 5 LYS CB C 13 33.992 0.068 . . . . . . 513 LYS CB . 18338 1 52 . 1 1 5 5 LYS CG C 13 25.296 0.011 . . . . . . 513 LYS CG . 18338 1 53 . 1 1 5 5 LYS CD C 13 29.061 0.005 . . . . . . 513 LYS CD . 18338 1 54 . 1 1 5 5 LYS CE C 13 42.004 0.027 . . . . . . 513 LYS CE . 18338 1 55 . 1 1 5 5 LYS N N 15 122.688 0.068 . . . . . . 513 LYS N . 18338 1 56 . 1 1 6 6 ASN H H 1 8.904 0.002 . . . . . . 514 ASN H . 18338 1 57 . 1 1 6 6 ASN HA H 1 4.093 0.004 . . . . . . 514 ASN HA . 18338 1 58 . 1 1 6 6 ASN HB2 H 1 2.511 0.006 . . . . . . 514 ASN HB2 . 18338 1 59 . 1 1 6 6 ASN HB3 H 1 2.451 0.004 . . . . . . 514 ASN HB3 . 18338 1 60 . 1 1 6 6 ASN HD21 H 1 6.331 0.001 . . . . . . 514 ASN HD21 . 18338 1 61 . 1 1 6 6 ASN HD22 H 1 6.214 0.002 . . . . . . 514 ASN HD22 . 18338 1 62 . 1 1 6 6 ASN C C 13 177.770 0.000 . . . . . . 514 ASN C . 18338 1 63 . 1 1 6 6 ASN CA C 13 53.902 0.082 . . . . . . 514 ASN CA . 18338 1 64 . 1 1 6 6 ASN CB C 13 37.500 0.029 . . . . . . 514 ASN CB . 18338 1 65 . 1 1 6 6 ASN N N 15 122.057 0.049 . . . . . . 514 ASN N . 18338 1 66 . 1 1 6 6 ASN ND2 N 15 106.266 0.218 . . . . . . 514 ASN ND2 . 18338 1 67 . 1 1 7 7 ASN H H 1 9.338 0.004 . . . . . . 515 ASN H . 18338 1 68 . 1 1 7 7 ASN HA H 1 4.288 0.005 . . . . . . 515 ASN HA . 18338 1 69 . 1 1 7 7 ASN HB2 H 1 2.947 0.010 . . . . . . 515 ASN HB2 . 18338 1 70 . 1 1 7 7 ASN HB3 H 1 2.616 0.006 . . . . . . 515 ASN HB3 . 18338 1 71 . 1 1 7 7 ASN HD21 H 1 7.490 0.004 . . . . . . 515 ASN HD21 . 18338 1 72 . 1 1 7 7 ASN HD22 H 1 6.716 0.003 . . . . . . 515 ASN HD22 . 18338 1 73 . 1 1 7 7 ASN C C 13 173.951 0.000 . . . . . . 515 ASN C . 18338 1 74 . 1 1 7 7 ASN CA C 13 54.973 0.070 . . . . . . 515 ASN CA . 18338 1 75 . 1 1 7 7 ASN CB C 13 37.751 0.071 . . . . . . 515 ASN CB . 18338 1 76 . 1 1 7 7 ASN N N 15 123.685 0.037 . . . . . . 515 ASN N . 18338 1 77 . 1 1 7 7 ASN ND2 N 15 111.979 0.024 . . . . . . 515 ASN ND2 . 18338 1 78 . 1 1 8 8 THR H H 1 7.549 0.004 . . . . . . 516 THR H . 18338 1 79 . 1 1 8 8 THR HA H 1 4.722 0.009 . . . . . . 516 THR HA . 18338 1 80 . 1 1 8 8 THR HB H 1 4.070 0.005 . . . . . . 516 THR HB . 18338 1 81 . 1 1 8 8 THR HG21 H 1 1.150 0.004 . . . . . . 516 THR HG2 . 18338 1 82 . 1 1 8 8 THR HG22 H 1 1.150 0.004 . . . . . . 516 THR HG2 . 18338 1 83 . 1 1 8 8 THR HG23 H 1 1.150 0.004 . . . . . . 516 THR HG2 . 18338 1 84 . 1 1 8 8 THR CA C 13 59.574 0.050 . . . . . . 516 THR CA . 18338 1 85 . 1 1 8 8 THR CB C 13 69.994 0.039 . . . . . . 516 THR CB . 18338 1 86 . 1 1 8 8 THR CG2 C 13 20.423 0.007 . . . . . . 516 THR CG2 . 18338 1 87 . 1 1 8 8 THR N N 15 113.768 0.049 . . . . . . 516 THR N . 18338 1 88 . 1 1 9 9 PRO HA H 1 4.394 0.004 . . . . . . 517 PRO HA . 18338 1 89 . 1 1 9 9 PRO HB2 H 1 1.891 0.008 . . . . . . 517 PRO HB2 . 18338 1 90 . 1 1 9 9 PRO HB3 H 1 1.733 0.008 . . . . . . 517 PRO HB3 . 18338 1 91 . 1 1 9 9 PRO HG2 H 1 2.036 0.009 . . . . . . 517 PRO HG2 . 18338 1 92 . 1 1 9 9 PRO HG3 H 1 1.741 0.005 . . . . . . 517 PRO HG3 . 18338 1 93 . 1 1 9 9 PRO HD2 H 1 3.768 0.006 . . . . . . 517 PRO HD2 . 18338 1 94 . 1 1 9 9 PRO HD3 H 1 3.564 0.005 . . . . . . 517 PRO HD3 . 18338 1 95 . 1 1 9 9 PRO C C 13 175.923 0.000 . . . . . . 517 PRO C . 18338 1 96 . 1 1 9 9 PRO CA C 13 63.301 0.046 . . . . . . 517 PRO CA . 18338 1 97 . 1 1 9 9 PRO CB C 13 32.867 0.027 . . . . . . 517 PRO CB . 18338 1 98 . 1 1 9 9 PRO CG C 13 27.409 0.020 . . . . . . 517 PRO CG . 18338 1 99 . 1 1 9 9 PRO CD C 13 51.112 0.046 . . . . . . 517 PRO CD . 18338 1 100 . 1 1 10 10 VAL H H 1 9.188 0.005 . . . . . . 518 VAL H . 18338 1 101 . 1 1 10 10 VAL HA H 1 4.152 0.006 . . . . . . 518 VAL HA . 18338 1 102 . 1 1 10 10 VAL HB H 1 1.945 0.008 . . . . . . 518 VAL HB . 18338 1 103 . 1 1 10 10 VAL HG11 H 1 1.010 0.002 . . . . . . 518 VAL HG1 . 18338 1 104 . 1 1 10 10 VAL HG12 H 1 1.010 0.002 . . . . . . 518 VAL HG1 . 18338 1 105 . 1 1 10 10 VAL HG13 H 1 1.010 0.002 . . . . . . 518 VAL HG1 . 18338 1 106 . 1 1 10 10 VAL HG21 H 1 0.900 0.005 . . . . . . 518 VAL HG2 . 18338 1 107 . 1 1 10 10 VAL HG22 H 1 0.900 0.005 . . . . . . 518 VAL HG2 . 18338 1 108 . 1 1 10 10 VAL HG23 H 1 0.900 0.005 . . . . . . 518 VAL HG2 . 18338 1 109 . 1 1 10 10 VAL C C 13 174.978 0.000 . . . . . . 518 VAL C . 18338 1 110 . 1 1 10 10 VAL CA C 13 62.345 0.027 . . . . . . 518 VAL CA . 18338 1 111 . 1 1 10 10 VAL CB C 13 32.781 0.036 . . . . . . 518 VAL CB . 18338 1 112 . 1 1 10 10 VAL CG1 C 13 21.848 0.019 . . . . . . 518 VAL CG1 . 18338 1 113 . 1 1 10 10 VAL CG2 C 13 20.968 0.029 . . . . . . 518 VAL CG2 . 18338 1 114 . 1 1 10 10 VAL N N 15 125.810 0.038 . . . . . . 518 VAL N . 18338 1 115 . 1 1 11 11 SER H H 1 8.324 0.007 . . . . . . 519 SER H . 18338 1 116 . 1 1 11 11 SER HA H 1 4.915 0.009 . . . . . . 519 SER HA . 18338 1 117 . 1 1 11 11 SER HB2 H 1 3.711 0.003 . . . . . . 519 SER HB2 . 18338 1 118 . 1 1 11 11 SER HB3 H 1 3.660 0.004 . . . . . . 519 SER HB3 . 18338 1 119 . 1 1 11 11 SER C C 13 173.290 0.000 . . . . . . 519 SER C . 18338 1 120 . 1 1 11 11 SER CA C 13 57.858 0.058 . . . . . . 519 SER CA . 18338 1 121 . 1 1 11 11 SER CB C 13 65.713 0.125 . . . . . . 519 SER CB . 18338 1 122 . 1 1 11 11 SER N N 15 120.017 0.069 . . . . . . 519 SER N . 18338 1 123 . 1 1 12 12 ASN H H 1 8.607 0.006 . . . . . . 520 ASN H . 18338 1 124 . 1 1 12 12 ASN HA H 1 3.927 0.004 . . . . . . 520 ASN HA . 18338 1 125 . 1 1 12 12 ASN HB2 H 1 3.010 0.007 . . . . . . 520 ASN HB2 . 18338 1 126 . 1 1 12 12 ASN HB3 H 1 2.652 0.008 . . . . . . 520 ASN HB3 . 18338 1 127 . 1 1 12 12 ASN HD21 H 1 7.526 0.001 . . . . . . 520 ASN HD21 . 18338 1 128 . 1 1 12 12 ASN HD22 H 1 6.799 0.002 . . . . . . 520 ASN HD22 . 18338 1 129 . 1 1 12 12 ASN C C 13 175.182 0.000 . . . . . . 520 ASN C . 18338 1 130 . 1 1 12 12 ASN CA C 13 54.380 0.039 . . . . . . 520 ASN CA . 18338 1 131 . 1 1 12 12 ASN CB C 13 37.235 0.037 . . . . . . 520 ASN CB . 18338 1 132 . 1 1 12 12 ASN N N 15 115.305 0.046 . . . . . . 520 ASN N . 18338 1 133 . 1 1 12 12 ASN ND2 N 15 113.076 0.053 . . . . . . 520 ASN ND2 . 18338 1 134 . 1 1 13 13 LEU H H 1 9.558 0.007 . . . . . . 521 LEU H . 18338 1 135 . 1 1 13 13 LEU HA H 1 4.342 0.007 . . . . . . 521 LEU HA . 18338 1 136 . 1 1 13 13 LEU HB2 H 1 1.691 0.002 . . . . . . 521 LEU HB2 . 18338 1 137 . 1 1 13 13 LEU HB3 H 1 1.485 0.003 . . . . . . 521 LEU HB3 . 18338 1 138 . 1 1 13 13 LEU HG H 1 1.609 0.006 . . . . . . 521 LEU HG . 18338 1 139 . 1 1 13 13 LEU HD11 H 1 0.678 0.009 . . . . . . 521 LEU HD1 . 18338 1 140 . 1 1 13 13 LEU HD12 H 1 0.678 0.009 . . . . . . 521 LEU HD1 . 18338 1 141 . 1 1 13 13 LEU HD13 H 1 0.678 0.009 . . . . . . 521 LEU HD1 . 18338 1 142 . 1 1 13 13 LEU HD21 H 1 0.848 0.004 . . . . . . 521 LEU HD2 . 18338 1 143 . 1 1 13 13 LEU HD22 H 1 0.848 0.004 . . . . . . 521 LEU HD2 . 18338 1 144 . 1 1 13 13 LEU HD23 H 1 0.848 0.004 . . . . . . 521 LEU HD2 . 18338 1 145 . 1 1 13 13 LEU C C 13 176.951 0.000 . . . . . . 521 LEU C . 18338 1 146 . 1 1 13 13 LEU CA C 13 56.999 0.058 . . . . . . 521 LEU CA . 18338 1 147 . 1 1 13 13 LEU CB C 13 42.045 0.031 . . . . . . 521 LEU CB . 18338 1 148 . 1 1 13 13 LEU CG C 13 27.257 0.049 . . . . . . 521 LEU CG . 18338 1 149 . 1 1 13 13 LEU CD1 C 13 26.552 0.022 . . . . . . 521 LEU CD1 . 18338 1 150 . 1 1 13 13 LEU CD2 C 13 23.772 0.022 . . . . . . 521 LEU CD2 . 18338 1 151 . 1 1 13 13 LEU N N 15 122.314 0.049 . . . . . . 521 LEU N . 18338 1 152 . 1 1 14 14 THR H H 1 8.064 0.006 . . . . . . 522 THR H . 18338 1 153 . 1 1 14 14 THR HA H 1 4.472 0.007 . . . . . . 522 THR HA . 18338 1 154 . 1 1 14 14 THR HB H 1 3.941 0.004 . . . . . . 522 THR HB . 18338 1 155 . 1 1 14 14 THR HG21 H 1 1.096 0.004 . . . . . . 522 THR HG2 . 18338 1 156 . 1 1 14 14 THR HG22 H 1 1.096 0.004 . . . . . . 522 THR HG2 . 18338 1 157 . 1 1 14 14 THR HG23 H 1 1.096 0.004 . . . . . . 522 THR HG2 . 18338 1 158 . 1 1 14 14 THR C C 13 172.445 0.000 . . . . . . 522 THR C . 18338 1 159 . 1 1 14 14 THR CA C 13 59.328 0.116 . . . . . . 522 THR CA . 18338 1 160 . 1 1 14 14 THR CB C 13 72.103 0.083 . . . . . . 522 THR CB . 18338 1 161 . 1 1 14 14 THR CG2 C 13 19.837 0.006 . . . . . . 522 THR CG2 . 18338 1 162 . 1 1 14 14 THR N N 15 116.831 0.046 . . . . . . 522 THR N . 18338 1 163 . 1 1 15 15 GLY H H 1 6.932 0.006 . . . . . . 523 GLY H . 18338 1 164 . 1 1 15 15 GLY HA2 H 1 4.033 0.007 . . . . . . 523 GLY HA2 . 18338 1 165 . 1 1 15 15 GLY HA3 H 1 3.094 0.013 . . . . . . 523 GLY HA3 . 18338 1 166 . 1 1 15 15 GLY C C 13 170.957 0.000 . . . . . . 523 GLY C . 18338 1 167 . 1 1 15 15 GLY CA C 13 45.006 0.016 . . . . . . 523 GLY CA . 18338 1 168 . 1 1 15 15 GLY N N 15 111.731 0.059 . . . . . . 523 GLY N . 18338 1 169 . 1 1 16 16 ASN H H 1 8.361 0.004 . . . . . . 524 ASN H . 18338 1 170 . 1 1 16 16 ASN HA H 1 5.013 0.008 . . . . . . 524 ASN HA . 18338 1 171 . 1 1 16 16 ASN HB2 H 1 2.816 0.003 . . . . . . 524 ASN HB2 . 18338 1 172 . 1 1 16 16 ASN HB3 H 1 2.684 0.005 . . . . . . 524 ASN HB3 . 18338 1 173 . 1 1 16 16 ASN C C 13 177.934 0.000 . . . . . . 524 ASN C . 18338 1 174 . 1 1 16 16 ASN CA C 13 51.372 0.054 . . . . . . 524 ASN CA . 18338 1 175 . 1 1 16 16 ASN CB C 13 39.804 0.020 . . . . . . 524 ASN CB . 18338 1 176 . 1 1 16 16 ASN N N 15 116.698 0.058 . . . . . . 524 ASN N . 18338 1 177 . 1 1 17 17 LYS H H 1 8.861 0.003 . . . . . . 525 LYS H . 18338 1 178 . 1 1 17 17 LYS HA H 1 3.550 0.006 . . . . . . 525 LYS HA . 18338 1 179 . 1 1 17 17 LYS HB2 H 1 1.692 0.004 . . . . . . 525 LYS HB2 . 18338 1 180 . 1 1 17 17 LYS HB3 H 1 1.584 0.005 . . . . . . 525 LYS HB3 . 18338 1 181 . 1 1 17 17 LYS HG2 H 1 1.229 0.007 . . . . . . 525 LYS HG2 . 18338 1 182 . 1 1 17 17 LYS HG3 H 1 1.118 0.005 . . . . . . 525 LYS HG3 . 18338 1 183 . 1 1 17 17 LYS HD2 H 1 1.603 0.006 . . . . . . 525 LYS HD . 18338 1 184 . 1 1 17 17 LYS HD3 H 1 1.603 0.006 . . . . . . 525 LYS HD . 18338 1 185 . 1 1 17 17 LYS HE2 H 1 2.849 0.005 . . . . . . 525 LYS HE . 18338 1 186 . 1 1 17 17 LYS HE3 H 1 2.849 0.005 . . . . . . 525 LYS HE . 18338 1 187 . 1 1 17 17 LYS C C 13 176.745 0.000 . . . . . . 525 LYS C . 18338 1 188 . 1 1 17 17 LYS CA C 13 58.748 0.048 . . . . . . 525 LYS CA . 18338 1 189 . 1 1 17 17 LYS CB C 13 31.984 0.027 . . . . . . 525 LYS CB . 18338 1 190 . 1 1 17 17 LYS CG C 13 24.364 0.043 . . . . . . 525 LYS CG . 18338 1 191 . 1 1 17 17 LYS CD C 13 29.682 0.041 . . . . . . 525 LYS CD . 18338 1 192 . 1 1 17 17 LYS CE C 13 41.796 0.025 . . . . . . 525 LYS CE . 18338 1 193 . 1 1 17 17 LYS N N 15 124.913 0.065 . . . . . . 525 LYS N . 18338 1 194 . 1 1 18 18 GLY H H 1 10.136 0.012 . . . . . . 526 GLY H . 18338 1 195 . 1 1 18 18 GLY HA2 H 1 4.474 0.005 . . . . . . 526 GLY HA2 . 18338 1 196 . 1 1 18 18 GLY HA3 H 1 3.534 0.005 . . . . . . 526 GLY HA3 . 18338 1 197 . 1 1 18 18 GLY C C 13 175.141 0.000 . . . . . . 526 GLY C . 18338 1 198 . 1 1 18 18 GLY CA C 13 45.452 0.031 . . . . . . 526 GLY CA . 18338 1 199 . 1 1 18 18 GLY N N 15 117.930 0.047 . . . . . . 526 GLY N . 18338 1 200 . 1 1 19 19 SER H H 1 8.081 0.003 . . . . . . 527 SER H . 18338 1 201 . 1 1 19 19 SER HA H 1 4.212 0.007 . . . . . . 527 SER HA . 18338 1 202 . 1 1 19 19 SER HB2 H 1 4.100 0.002 . . . . . . 527 SER HB2 . 18338 1 203 . 1 1 19 19 SER HB3 H 1 4.000 0.005 . . . . . . 527 SER HB3 . 18338 1 204 . 1 1 19 19 SER C C 13 173.353 0.000 . . . . . . 527 SER C . 18338 1 205 . 1 1 19 19 SER CA C 13 59.222 0.072 . . . . . . 527 SER CA . 18338 1 206 . 1 1 19 19 SER CB C 13 65.186 0.113 . . . . . . 527 SER CB . 18338 1 207 . 1 1 19 19 SER N N 15 117.503 0.044 . . . . . . 527 SER N . 18338 1 208 . 1 1 20 20 GLU H H 1 8.466 0.004 . . . . . . 528 GLU H . 18338 1 209 . 1 1 20 20 GLU HA H 1 4.863 0.008 . . . . . . 528 GLU HA . 18338 1 210 . 1 1 20 20 GLU HB2 H 1 1.838 0.006 . . . . . . 528 GLU HB2 . 18338 1 211 . 1 1 20 20 GLU HB3 H 1 1.487 0.006 . . . . . . 528 GLU HB3 . 18338 1 212 . 1 1 20 20 GLU HG2 H 1 2.252 0.003 . . . . . . 528 GLU HG2 . 18338 1 213 . 1 1 20 20 GLU HG3 H 1 2.196 0.003 . . . . . . 528 GLU HG3 . 18338 1 214 . 1 1 20 20 GLU C C 13 175.067 0.000 . . . . . . 528 GLU C . 18338 1 215 . 1 1 20 20 GLU CA C 13 55.684 0.034 . . . . . . 528 GLU CA . 18338 1 216 . 1 1 20 20 GLU CB C 13 33.087 0.056 . . . . . . 528 GLU CB . 18338 1 217 . 1 1 20 20 GLU CG C 13 37.058 0.032 . . . . . . 528 GLU CG . 18338 1 218 . 1 1 20 20 GLU N N 15 119.637 0.052 . . . . . . 528 GLU N . 18338 1 219 . 1 1 21 21 VAL H H 1 7.754 0.007 . . . . . . 529 VAL H . 18338 1 220 . 1 1 21 21 VAL HA H 1 4.581 0.008 . . . . . . 529 VAL HA . 18338 1 221 . 1 1 21 21 VAL HB H 1 2.034 0.006 . . . . . . 529 VAL HB . 18338 1 222 . 1 1 21 21 VAL HG11 H 1 1.033 0.005 . . . . . . 529 VAL HG1 . 18338 1 223 . 1 1 21 21 VAL HG12 H 1 1.033 0.005 . . . . . . 529 VAL HG1 . 18338 1 224 . 1 1 21 21 VAL HG13 H 1 1.033 0.005 . . . . . . 529 VAL HG1 . 18338 1 225 . 1 1 21 21 VAL HG21 H 1 1.034 0.006 . . . . . . 529 VAL HG2 . 18338 1 226 . 1 1 21 21 VAL HG22 H 1 1.034 0.006 . . . . . . 529 VAL HG2 . 18338 1 227 . 1 1 21 21 VAL HG23 H 1 1.034 0.006 . . . . . . 529 VAL HG2 . 18338 1 228 . 1 1 21 21 VAL C C 13 173.883 0.000 . . . . . . 529 VAL C . 18338 1 229 . 1 1 21 21 VAL CA C 13 60.326 0.038 . . . . . . 529 VAL CA . 18338 1 230 . 1 1 21 21 VAL CB C 13 34.994 0.111 . . . . . . 529 VAL CB . 18338 1 231 . 1 1 21 21 VAL CG1 C 13 21.196 0.018 . . . . . . 529 VAL CG1 . 18338 1 232 . 1 1 21 21 VAL CG2 C 13 20.232 0.074 . . . . . . 529 VAL CG2 . 18338 1 233 . 1 1 21 21 VAL N N 15 119.777 0.055 . . . . . . 529 VAL N . 18338 1 234 . 1 1 22 22 PHE H H 1 8.417 0.004 . . . . . . 530 PHE H . 18338 1 235 . 1 1 22 22 PHE HA H 1 5.793 0.005 . . . . . . 530 PHE HA . 18338 1 236 . 1 1 22 22 PHE HB2 H 1 3.572 0.005 . . . . . . 530 PHE HB2 . 18338 1 237 . 1 1 22 22 PHE HB3 H 1 2.648 0.006 . . . . . . 530 PHE HB3 . 18338 1 238 . 1 1 22 22 PHE HD1 H 1 7.332 0.006 . . . . . . 530 PHE HD . 18338 1 239 . 1 1 22 22 PHE HD2 H 1 7.332 0.006 . . . . . . 530 PHE HD . 18338 1 240 . 1 1 22 22 PHE C C 13 175.982 0.000 . . . . . . 530 PHE C . 18338 1 241 . 1 1 22 22 PHE CA C 13 57.912 0.054 . . . . . . 530 PHE CA . 18338 1 242 . 1 1 22 22 PHE CB C 13 42.338 0.074 . . . . . . 530 PHE CB . 18338 1 243 . 1 1 22 22 PHE N N 15 121.244 0.055 . . . . . . 530 PHE N . 18338 1 244 . 1 1 23 23 TYR H H 1 9.750 0.007 . . . . . . 531 TYR H . 18338 1 245 . 1 1 23 23 TYR HA H 1 5.414 0.007 . . . . . . 531 TYR HA . 18338 1 246 . 1 1 23 23 TYR HB2 H 1 3.035 0.008 . . . . . . 531 TYR HB2 . 18338 1 247 . 1 1 23 23 TYR HB3 H 1 2.582 0.011 . . . . . . 531 TYR HB3 . 18338 1 248 . 1 1 23 23 TYR HD1 H 1 6.705 0.004 . . . . . . 531 TYR HD1 . 18338 1 249 . 1 1 23 23 TYR C C 13 176.572 0.000 . . . . . . 531 TYR C . 18338 1 250 . 1 1 23 23 TYR CA C 13 56.927 0.121 . . . . . . 531 TYR CA . 18338 1 251 . 1 1 23 23 TYR CB C 13 44.428 0.091 . . . . . . 531 TYR CB . 18338 1 252 . 1 1 23 23 TYR N N 15 120.717 0.044 . . . . . . 531 TYR N . 18338 1 253 . 1 1 24 24 THR H H 1 8.735 0.005 . . . . . . 532 THR H . 18338 1 254 . 1 1 24 24 THR HA H 1 5.649 0.004 . . . . . . 532 THR HA . 18338 1 255 . 1 1 24 24 THR HB H 1 3.809 0.005 . . . . . . 532 THR HB . 18338 1 256 . 1 1 24 24 THR HG21 H 1 0.699 0.007 . . . . . . 532 THR HG2 . 18338 1 257 . 1 1 24 24 THR HG22 H 1 0.699 0.007 . . . . . . 532 THR HG2 . 18338 1 258 . 1 1 24 24 THR HG23 H 1 0.699 0.007 . . . . . . 532 THR HG2 . 18338 1 259 . 1 1 24 24 THR C C 13 173.680 0.000 . . . . . . 532 THR C . 18338 1 260 . 1 1 24 24 THR CA C 13 60.052 0.131 . . . . . . 532 THR CA . 18338 1 261 . 1 1 24 24 THR CB C 13 73.365 0.010 . . . . . . 532 THR CB . 18338 1 262 . 1 1 24 24 THR CG2 C 13 22.067 0.012 . . . . . . 532 THR CG2 . 18338 1 263 . 1 1 24 24 THR N N 15 111.772 0.058 . . . . . . 532 THR N . 18338 1 264 . 1 1 25 25 PHE H H 1 8.767 0.006 . . . . . . 533 PHE H . 18338 1 265 . 1 1 25 25 PHE HA H 1 5.148 0.006 . . . . . . 533 PHE HA . 18338 1 266 . 1 1 25 25 PHE HB2 H 1 3.382 0.006 . . . . . . 533 PHE HB2 . 18338 1 267 . 1 1 25 25 PHE HB3 H 1 3.259 0.005 . . . . . . 533 PHE HB3 . 18338 1 268 . 1 1 25 25 PHE HD1 H 1 6.704 0.003 . . . . . . 533 PHE HD . 18338 1 269 . 1 1 25 25 PHE HD2 H 1 6.704 0.003 . . . . . . 533 PHE HD . 18338 1 270 . 1 1 25 25 PHE C C 13 172.533 0.000 . . . . . . 533 PHE C . 18338 1 271 . 1 1 25 25 PHE CA C 13 57.739 0.087 . . . . . . 533 PHE CA . 18338 1 272 . 1 1 25 25 PHE CB C 13 43.338 0.075 . . . . . . 533 PHE CB . 18338 1 273 . 1 1 25 25 PHE N N 15 112.405 0.101 . . . . . . 533 PHE N . 18338 1 274 . 1 1 26 26 THR H H 1 8.136 0.006 . . . . . . 534 THR H . 18338 1 275 . 1 1 26 26 THR HA H 1 4.732 0.005 . . . . . . 534 THR HA . 18338 1 276 . 1 1 26 26 THR HB H 1 4.365 0.009 . . . . . . 534 THR HB . 18338 1 277 . 1 1 26 26 THR HG21 H 1 1.193 0.004 . . . . . . 534 THR HG2 . 18338 1 278 . 1 1 26 26 THR HG22 H 1 1.193 0.004 . . . . . . 534 THR HG2 . 18338 1 279 . 1 1 26 26 THR HG23 H 1 1.193 0.004 . . . . . . 534 THR HG2 . 18338 1 280 . 1 1 26 26 THR C C 13 173.152 0.000 . . . . . . 534 THR C . 18338 1 281 . 1 1 26 26 THR CA C 13 59.514 0.103 . . . . . . 534 THR CA . 18338 1 282 . 1 1 26 26 THR CB C 13 72.910 0.067 . . . . . . 534 THR CB . 18338 1 283 . 1 1 26 26 THR CG2 C 13 22.148 0.002 . . . . . . 534 THR CG2 . 18338 1 284 . 1 1 26 26 THR N N 15 109.173 0.048 . . . . . . 534 THR N . 18338 1 285 . 1 1 27 27 VAL H H 1 9.309 0.006 . . . . . . 535 VAL H . 18338 1 286 . 1 1 27 27 VAL HA H 1 4.623 0.006 . . . . . . 535 VAL HA . 18338 1 287 . 1 1 27 27 VAL HB H 1 1.642 0.008 . . . . . . 535 VAL HB . 18338 1 288 . 1 1 27 27 VAL HG11 H 1 0.045 0.004 . . . . . . 535 VAL HG1 . 18338 1 289 . 1 1 27 27 VAL HG12 H 1 0.045 0.004 . . . . . . 535 VAL HG1 . 18338 1 290 . 1 1 27 27 VAL HG13 H 1 0.045 0.004 . . . . . . 535 VAL HG1 . 18338 1 291 . 1 1 27 27 VAL HG21 H 1 0.450 0.005 . . . . . . 535 VAL HG2 . 18338 1 292 . 1 1 27 27 VAL HG22 H 1 0.450 0.005 . . . . . . 535 VAL HG2 . 18338 1 293 . 1 1 27 27 VAL HG23 H 1 0.450 0.005 . . . . . . 535 VAL HG2 . 18338 1 294 . 1 1 27 27 VAL C C 13 175.678 0.000 . . . . . . 535 VAL C . 18338 1 295 . 1 1 27 27 VAL CA C 13 59.754 0.059 . . . . . . 535 VAL CA . 18338 1 296 . 1 1 27 27 VAL CB C 13 35.767 0.014 . . . . . . 535 VAL CB . 18338 1 297 . 1 1 27 27 VAL CG1 C 13 20.686 0.009 . . . . . . 535 VAL CG1 . 18338 1 298 . 1 1 27 27 VAL CG2 C 13 19.596 0.006 . . . . . . 535 VAL CG2 . 18338 1 299 . 1 1 27 27 VAL N N 15 111.566 0.077 . . . . . . 535 VAL N . 18338 1 300 . 1 1 28 28 ASP H H 1 7.877 0.009 . . . . . . 536 ASP H . 18338 1 301 . 1 1 28 28 ASP HA H 1 4.641 0.006 . . . . . . 536 ASP HA . 18338 1 302 . 1 1 28 28 ASP HB2 H 1 2.875 0.010 . . . . . . 536 ASP HB2 . 18338 1 303 . 1 1 28 28 ASP HB3 H 1 2.657 0.009 . . . . . . 536 ASP HB3 . 18338 1 304 . 1 1 28 28 ASP C C 13 175.436 0.000 . . . . . . 536 ASP C . 18338 1 305 . 1 1 28 28 ASP CA C 13 53.295 0.083 . . . . . . 536 ASP CA . 18338 1 306 . 1 1 28 28 ASP CB C 13 40.867 0.104 . . . . . . 536 ASP CB . 18338 1 307 . 1 1 28 28 ASP N N 15 117.022 0.053 . . . . . . 536 ASP N . 18338 1 308 . 1 1 29 29 ARG H H 1 7.465 0.007 . . . . . . 537 ARG H . 18338 1 309 . 1 1 29 29 ARG HA H 1 4.464 0.006 . . . . . . 537 ARG HA . 18338 1 310 . 1 1 29 29 ARG HB2 H 1 1.912 0.008 . . . . . . 537 ARG HB2 . 18338 1 311 . 1 1 29 29 ARG HB3 H 1 1.721 0.004 . . . . . . 537 ARG HB3 . 18338 1 312 . 1 1 29 29 ARG HG2 H 1 1.577 0.004 . . . . . . 537 ARG HG2 . 18338 1 313 . 1 1 29 29 ARG HG3 H 1 1.374 0.006 . . . . . . 537 ARG HG3 . 18338 1 314 . 1 1 29 29 ARG HD2 H 1 3.231 0.003 . . . . . . 537 ARG HD2 . 18338 1 315 . 1 1 29 29 ARG HD3 H 1 3.116 0.002 . . . . . . 537 ARG HD3 . 18338 1 316 . 1 1 29 29 ARG C C 13 173.080 0.000 . . . . . . 537 ARG C . 18338 1 317 . 1 1 29 29 ARG CA C 13 53.610 0.024 . . . . . . 537 ARG CA . 18338 1 318 . 1 1 29 29 ARG CB C 13 31.895 0.078 . . . . . . 537 ARG CB . 18338 1 319 . 1 1 29 29 ARG CG C 13 25.488 0.036 . . . . . . 537 ARG CG . 18338 1 320 . 1 1 29 29 ARG CD C 13 43.301 0.002 . . . . . . 537 ARG CD . 18338 1 321 . 1 1 29 29 ARG N N 15 115.495 0.081 . . . . . . 537 ARG N . 18338 1 322 . 1 1 30 30 ASN H H 1 8.356 0.018 . . . . . . 538 ASN H . 18338 1 323 . 1 1 30 30 ASN HA H 1 4.949 0.004 . . . . . . 538 ASN HA . 18338 1 324 . 1 1 30 30 ASN HB2 H 1 2.667 0.004 . . . . . . 538 ASN HB2 . 18338 1 325 . 1 1 30 30 ASN HB3 H 1 2.624 0.004 . . . . . . 538 ASN HB3 . 18338 1 326 . 1 1 30 30 ASN HD21 H 1 7.013 0.002 . . . . . . 538 ASN HD21 . 18338 1 327 . 1 1 30 30 ASN HD22 H 1 6.809 0.000 . . . . . . 538 ASN HD22 . 18338 1 328 . 1 1 30 30 ASN C C 13 175.473 0.000 . . . . . . 538 ASN C . 18338 1 329 . 1 1 30 30 ASN CA C 13 54.674 0.045 . . . . . . 538 ASN CA . 18338 1 330 . 1 1 30 30 ASN CB C 13 37.986 0.052 . . . . . . 538 ASN CB . 18338 1 331 . 1 1 30 30 ASN N N 15 117.722 0.045 . . . . . . 538 ASN N . 18338 1 332 . 1 1 30 30 ASN ND2 N 15 111.955 0.041 . . . . . . 538 ASN ND2 . 18338 1 333 . 1 1 31 31 ALA H H 1 8.265 0.008 . . . . . . 539 ALA H . 18338 1 334 . 1 1 31 31 ALA HA H 1 4.612 0.005 . . . . . . 539 ALA HA . 18338 1 335 . 1 1 31 31 ALA HB1 H 1 1.264 0.003 . . . . . . 539 ALA HB . 18338 1 336 . 1 1 31 31 ALA HB2 H 1 1.264 0.003 . . . . . . 539 ALA HB . 18338 1 337 . 1 1 31 31 ALA HB3 H 1 1.264 0.003 . . . . . . 539 ALA HB . 18338 1 338 . 1 1 31 31 ALA C C 13 175.924 0.000 . . . . . . 539 ALA C . 18338 1 339 . 1 1 31 31 ALA CA C 13 51.849 0.072 . . . . . . 539 ALA CA . 18338 1 340 . 1 1 31 31 ALA CB C 13 22.909 0.137 . . . . . . 539 ALA CB . 18338 1 341 . 1 1 31 31 ALA N N 15 126.531 0.120 . . . . . . 539 ALA N . 18338 1 342 . 1 1 32 32 THR H H 1 8.565 0.008 . . . . . . 540 THR H . 18338 1 343 . 1 1 32 32 THR HA H 1 4.708 0.006 . . . . . . 540 THR HA . 18338 1 344 . 1 1 32 32 THR HB H 1 3.966 0.010 . . . . . . 540 THR HB . 18338 1 345 . 1 1 32 32 THR HG21 H 1 0.975 0.004 . . . . . . 540 THR HG2 . 18338 1 346 . 1 1 32 32 THR HG22 H 1 0.975 0.004 . . . . . . 540 THR HG2 . 18338 1 347 . 1 1 32 32 THR HG23 H 1 0.975 0.004 . . . . . . 540 THR HG2 . 18338 1 348 . 1 1 32 32 THR C C 13 173.217 0.000 . . . . . . 540 THR C . 18338 1 349 . 1 1 32 32 THR CA C 13 62.729 0.049 . . . . . . 540 THR CA . 18338 1 350 . 1 1 32 32 THR CB C 13 68.616 0.021 . . . . . . 540 THR CB . 18338 1 351 . 1 1 32 32 THR CG2 C 13 21.731 0.004 . . . . . . 540 THR CG2 . 18338 1 352 . 1 1 32 32 THR N N 15 118.190 0.103 . . . . . . 540 THR N . 18338 1 353 . 1 1 33 33 ALA H H 1 9.100 0.012 . . . . . . 541 ALA H . 18338 1 354 . 1 1 33 33 ALA HA H 1 4.915 0.005 . . . . . . 541 ALA HA . 18338 1 355 . 1 1 33 33 ALA HB1 H 1 0.847 0.010 . . . . . . 541 ALA HB . 18338 1 356 . 1 1 33 33 ALA HB2 H 1 0.847 0.010 . . . . . . 541 ALA HB . 18338 1 357 . 1 1 33 33 ALA HB3 H 1 0.847 0.010 . . . . . . 541 ALA HB . 18338 1 358 . 1 1 33 33 ALA C C 13 175.117 0.000 . . . . . . 541 ALA C . 18338 1 359 . 1 1 33 33 ALA CA C 13 49.972 0.064 . . . . . . 541 ALA CA . 18338 1 360 . 1 1 33 33 ALA CB C 13 20.978 0.099 . . . . . . 541 ALA CB . 18338 1 361 . 1 1 33 33 ALA N N 15 131.345 0.094 . . . . . . 541 ALA N . 18338 1 362 . 1 1 34 34 VAL H H 1 8.660 0.014 . . . . . . 542 VAL H . 18338 1 363 . 1 1 34 34 VAL HA H 1 4.855 0.005 . . . . . . 542 VAL HA . 18338 1 364 . 1 1 34 34 VAL HB H 1 1.856 0.008 . . . . . . 542 VAL HB . 18338 1 365 . 1 1 34 34 VAL HG11 H 1 0.797 0.004 . . . . . . 542 VAL HG1 . 18338 1 366 . 1 1 34 34 VAL HG12 H 1 0.797 0.004 . . . . . . 542 VAL HG1 . 18338 1 367 . 1 1 34 34 VAL HG13 H 1 0.797 0.004 . . . . . . 542 VAL HG1 . 18338 1 368 . 1 1 34 34 VAL HG21 H 1 0.683 0.002 . . . . . . 542 VAL HG2 . 18338 1 369 . 1 1 34 34 VAL HG22 H 1 0.683 0.002 . . . . . . 542 VAL HG2 . 18338 1 370 . 1 1 34 34 VAL HG23 H 1 0.683 0.002 . . . . . . 542 VAL HG2 . 18338 1 371 . 1 1 34 34 VAL C C 13 176.293 0.000 . . . . . . 542 VAL C . 18338 1 372 . 1 1 34 34 VAL CA C 13 61.114 0.078 . . . . . . 542 VAL CA . 18338 1 373 . 1 1 34 34 VAL CB C 13 33.759 0.018 . . . . . . 542 VAL CB . 18338 1 374 . 1 1 34 34 VAL CG1 C 13 21.070 0.023 . . . . . . 542 VAL CG1 . 18338 1 375 . 1 1 34 34 VAL N N 15 121.390 0.120 . . . . . . 542 VAL N . 18338 1 376 . 1 1 35 35 VAL H H 1 8.924 0.007 . . . . . . 543 VAL H . 18338 1 377 . 1 1 35 35 VAL HA H 1 4.990 0.005 . . . . . . 543 VAL HA . 18338 1 378 . 1 1 35 35 VAL HB H 1 1.566 0.010 . . . . . . 543 VAL HB . 18338 1 379 . 1 1 35 35 VAL HG11 H 1 0.624 0.006 . . . . . . 543 VAL HG1 . 18338 1 380 . 1 1 35 35 VAL HG12 H 1 0.624 0.006 . . . . . . 543 VAL HG1 . 18338 1 381 . 1 1 35 35 VAL HG13 H 1 0.624 0.006 . . . . . . 543 VAL HG1 . 18338 1 382 . 1 1 35 35 VAL HG21 H 1 0.745 0.003 . . . . . . 543 VAL HG2 . 18338 1 383 . 1 1 35 35 VAL HG22 H 1 0.745 0.003 . . . . . . 543 VAL HG2 . 18338 1 384 . 1 1 35 35 VAL HG23 H 1 0.745 0.003 . . . . . . 543 VAL HG2 . 18338 1 385 . 1 1 35 35 VAL C C 13 173.736 0.000 . . . . . . 543 VAL C . 18338 1 386 . 1 1 35 35 VAL CA C 13 59.332 0.098 . . . . . . 543 VAL CA . 18338 1 387 . 1 1 35 35 VAL CB C 13 33.831 0.111 . . . . . . 543 VAL CB . 18338 1 388 . 1 1 35 35 VAL CG1 C 13 22.797 0.032 . . . . . . 543 VAL CG1 . 18338 1 389 . 1 1 35 35 VAL CG2 C 13 22.047 0.013 . . . . . . 543 VAL CG2 . 18338 1 390 . 1 1 35 35 VAL N N 15 129.290 0.050 . . . . . . 543 VAL N . 18338 1 391 . 1 1 36 36 SER H H 1 9.168 0.004 . . . . . . 544 SER H . 18338 1 392 . 1 1 36 36 SER HA H 1 5.372 0.008 . . . . . . 544 SER HA . 18338 1 393 . 1 1 36 36 SER HB2 H 1 3.726 0.007 . . . . . . 544 SER HB2 . 18338 1 394 . 1 1 36 36 SER HB3 H 1 3.547 0.006 . . . . . . 544 SER HB3 . 18338 1 395 . 1 1 36 36 SER C C 13 173.740 0.000 . . . . . . 544 SER C . 18338 1 396 . 1 1 36 36 SER CA C 13 56.103 0.057 . . . . . . 544 SER CA . 18338 1 397 . 1 1 36 36 SER CB C 13 67.331 0.078 . . . . . . 544 SER CB . 18338 1 398 . 1 1 36 36 SER N N 15 119.476 0.051 . . . . . . 544 SER N . 18338 1 399 . 1 1 37 37 ILE H H 1 8.887 0.006 . . . . . . 545 ILE H . 18338 1 400 . 1 1 37 37 ILE HA H 1 5.642 0.006 . . . . . . 545 ILE HA . 18338 1 401 . 1 1 37 37 ILE HB H 1 1.632 0.005 . . . . . . 545 ILE HB . 18338 1 402 . 1 1 37 37 ILE HG12 H 1 1.801 0.002 . . . . . . 545 ILE HG1 . 18338 1 403 . 1 1 37 37 ILE HG13 H 1 1.801 0.002 . . . . . . 545 ILE HG1 . 18338 1 404 . 1 1 37 37 ILE HG21 H 1 0.632 0.005 . . . . . . 545 ILE HG2 . 18338 1 405 . 1 1 37 37 ILE HG22 H 1 0.632 0.005 . . . . . . 545 ILE HG2 . 18338 1 406 . 1 1 37 37 ILE HG23 H 1 0.632 0.005 . . . . . . 545 ILE HG2 . 18338 1 407 . 1 1 37 37 ILE HD11 H 1 0.357 0.004 . . . . . . 545 ILE HD1 . 18338 1 408 . 1 1 37 37 ILE HD12 H 1 0.357 0.004 . . . . . . 545 ILE HD1 . 18338 1 409 . 1 1 37 37 ILE HD13 H 1 0.357 0.004 . . . . . . 545 ILE HD1 . 18338 1 410 . 1 1 37 37 ILE C C 13 176.096 0.000 . . . . . . 545 ILE C . 18338 1 411 . 1 1 37 37 ILE CA C 13 59.058 0.063 . . . . . . 545 ILE CA . 18338 1 412 . 1 1 37 37 ILE CB C 13 41.934 0.086 . . . . . . 545 ILE CB . 18338 1 413 . 1 1 37 37 ILE CG1 C 13 26.797 0.021 . . . . . . 545 ILE CG1 . 18338 1 414 . 1 1 37 37 ILE CG2 C 13 20.395 0.015 . . . . . . 545 ILE CG2 . 18338 1 415 . 1 1 37 37 ILE CD1 C 13 13.938 0.007 . . . . . . 545 ILE CD1 . 18338 1 416 . 1 1 37 37 ILE N N 15 113.997 0.054 . . . . . . 545 ILE N . 18338 1 417 . 1 1 38 38 SER H H 1 8.090 0.003 . . . . . . 546 SER H . 18338 1 418 . 1 1 38 38 SER HA H 1 4.847 0.008 . . . . . . 546 SER HA . 18338 1 419 . 1 1 38 38 SER HB2 H 1 3.857 0.008 . . . . . . 546 SER HB2 . 18338 1 420 . 1 1 38 38 SER HB3 H 1 3.661 0.007 . . . . . . 546 SER HB3 . 18338 1 421 . 1 1 38 38 SER HG H 1 5.097 0.000 . . . . . . 546 SER HG . 18338 1 422 . 1 1 38 38 SER C C 13 174.599 0.000 . . . . . . 546 SER C . 18338 1 423 . 1 1 38 38 SER CA C 13 57.872 0.072 . . . . . . 546 SER CA . 18338 1 424 . 1 1 38 38 SER CB C 13 65.932 0.023 . . . . . . 546 SER CB . 18338 1 425 . 1 1 38 38 SER N N 15 111.547 0.049 . . . . . . 546 SER N . 18338 1 426 . 1 1 39 39 GLY H H 1 7.850 0.004 . . . . . . 547 GLY H . 18338 1 427 . 1 1 39 39 GLY HA2 H 1 4.292 0.008 . . . . . . 547 GLY HA2 . 18338 1 428 . 1 1 39 39 GLY HA3 H 1 3.827 0.004 . . . . . . 547 GLY HA3 . 18338 1 429 . 1 1 39 39 GLY C C 13 173.002 0.000 . . . . . . 547 GLY C . 18338 1 430 . 1 1 39 39 GLY CA C 13 44.515 0.032 . . . . . . 547 GLY CA . 18338 1 431 . 1 1 39 39 GLY N N 15 106.021 0.056 . . . . . . 547 GLY N . 18338 1 432 . 1 1 40 40 GLY H H 1 7.874 0.003 . . . . . . 548 GLY H . 18338 1 433 . 1 1 40 40 GLY HA2 H 1 4.458 0.005 . . . . . . 548 GLY HA2 . 18338 1 434 . 1 1 40 40 GLY HA3 H 1 3.743 0.005 . . . . . . 548 GLY HA3 . 18338 1 435 . 1 1 40 40 GLY C C 13 175.022 0.000 . . . . . . 548 GLY C . 18338 1 436 . 1 1 40 40 GLY CA C 13 45.624 0.043 . . . . . . 548 GLY CA . 18338 1 437 . 1 1 40 40 GLY N N 15 101.705 0.038 . . . . . . 548 GLY N . 18338 1 438 . 1 1 41 41 SER H H 1 8.846 0.012 . . . . . . 549 SER H . 18338 1 439 . 1 1 41 41 SER HA H 1 4.834 0.004 . . . . . . 549 SER HA . 18338 1 440 . 1 1 41 41 SER HB2 H 1 3.719 0.005 . . . . . . 549 SER HB . 18338 1 441 . 1 1 41 41 SER HB3 H 1 3.719 0.005 . . . . . . 549 SER HB . 18338 1 442 . 1 1 41 41 SER HG H 1 4.972 0.001 . . . . . . 549 SER HG . 18338 1 443 . 1 1 41 41 SER C C 13 175.203 0.000 . . . . . . 549 SER C . 18338 1 444 . 1 1 41 41 SER CA C 13 56.835 0.087 . . . . . . 549 SER CA . 18338 1 445 . 1 1 41 41 SER CB C 13 66.196 0.057 . . . . . . 549 SER CB . 18338 1 446 . 1 1 41 41 SER N N 15 114.912 0.044 . . . . . . 549 SER N . 18338 1 447 . 1 1 42 42 GLY H H 1 8.757 0.003 . . . . . . 550 GLY H . 18338 1 448 . 1 1 42 42 GLY HA2 H 1 4.899 0.007 . . . . . . 550 GLY HA2 . 18338 1 449 . 1 1 42 42 GLY HA3 H 1 3.570 0.003 . . . . . . 550 GLY HA3 . 18338 1 450 . 1 1 42 42 GLY C C 13 171.699 0.000 . . . . . . 550 GLY C . 18338 1 451 . 1 1 42 42 GLY CA C 13 45.097 0.024 . . . . . . 550 GLY CA . 18338 1 452 . 1 1 42 42 GLY N N 15 111.688 0.062 . . . . . . 550 GLY N . 18338 1 453 . 1 1 43 43 ASP H H 1 7.555 0.005 . . . . . . 551 ASP H . 18338 1 454 . 1 1 43 43 ASP HA H 1 4.746 0.010 . . . . . . 551 ASP HA . 18338 1 455 . 1 1 43 43 ASP HB2 H 1 3.111 0.005 . . . . . . 551 ASP HB2 . 18338 1 456 . 1 1 43 43 ASP HB3 H 1 2.219 0.010 . . . . . . 551 ASP HB3 . 18338 1 457 . 1 1 43 43 ASP C C 13 172.861 0.000 . . . . . . 551 ASP C . 18338 1 458 . 1 1 43 43 ASP CA C 13 53.997 0.074 . . . . . . 551 ASP CA . 18338 1 459 . 1 1 43 43 ASP CB C 13 42.986 0.045 . . . . . . 551 ASP CB . 18338 1 460 . 1 1 43 43 ASP N N 15 121.216 0.032 . . . . . . 551 ASP N . 18338 1 461 . 1 1 44 44 ALA H H 1 9.162 0.005 . . . . . . 552 ALA H . 18338 1 462 . 1 1 44 44 ALA HA H 1 4.482 0.006 . . . . . . 552 ALA HA . 18338 1 463 . 1 1 44 44 ALA HB1 H 1 0.095 0.001 . . . . . . 552 ALA HB . 18338 1 464 . 1 1 44 44 ALA HB2 H 1 0.095 0.001 . . . . . . 552 ALA HB . 18338 1 465 . 1 1 44 44 ALA HB3 H 1 0.095 0.001 . . . . . . 552 ALA HB . 18338 1 466 . 1 1 44 44 ALA C C 13 178.085 0.000 . . . . . . 552 ALA C . 18338 1 467 . 1 1 44 44 ALA CA C 13 50.099 0.066 . . . . . . 552 ALA CA . 18338 1 468 . 1 1 44 44 ALA CB C 13 18.852 0.110 . . . . . . 552 ALA CB . 18338 1 469 . 1 1 44 44 ALA N N 15 129.132 0.107 . . . . . . 552 ALA N . 18338 1 470 . 1 1 45 45 ASP H H 1 9.369 0.007 . . . . . . 553 ASP H . 18338 1 471 . 1 1 45 45 ASP HA H 1 5.281 0.011 . . . . . . 553 ASP HA . 18338 1 472 . 1 1 45 45 ASP HB2 H 1 3.199 0.005 . . . . . . 553 ASP HB2 . 18338 1 473 . 1 1 45 45 ASP HB3 H 1 2.760 0.007 . . . . . . 553 ASP HB3 . 18338 1 474 . 1 1 45 45 ASP C C 13 173.805 0.000 . . . . . . 553 ASP C . 18338 1 475 . 1 1 45 45 ASP CA C 13 52.924 0.096 . . . . . . 553 ASP CA . 18338 1 476 . 1 1 45 45 ASP CB C 13 43.151 0.063 . . . . . . 553 ASP CB . 18338 1 477 . 1 1 45 45 ASP N N 15 125.858 0.048 . . . . . . 553 ASP N . 18338 1 478 . 1 1 46 46 LEU H H 1 8.546 0.007 . . . . . . 554 LEU H . 18338 1 479 . 1 1 46 46 LEU HA H 1 4.515 0.008 . . . . . . 554 LEU HA . 18338 1 480 . 1 1 46 46 LEU HB2 H 1 1.759 0.008 . . . . . . 554 LEU HB2 . 18338 1 481 . 1 1 46 46 LEU HB3 H 1 0.973 0.012 . . . . . . 554 LEU HB3 . 18338 1 482 . 1 1 46 46 LEU HG H 1 1.256 0.003 . . . . . . 554 LEU HG . 18338 1 483 . 1 1 46 46 LEU HD11 H 1 0.561 0.008 . . . . . . 554 LEU HD1 . 18338 1 484 . 1 1 46 46 LEU HD12 H 1 0.561 0.008 . . . . . . 554 LEU HD1 . 18338 1 485 . 1 1 46 46 LEU HD13 H 1 0.561 0.008 . . . . . . 554 LEU HD1 . 18338 1 486 . 1 1 46 46 LEU HD21 H 1 0.653 0.002 . . . . . . 554 LEU HD2 . 18338 1 487 . 1 1 46 46 LEU HD22 H 1 0.653 0.002 . . . . . . 554 LEU HD2 . 18338 1 488 . 1 1 46 46 LEU HD23 H 1 0.653 0.002 . . . . . . 554 LEU HD2 . 18338 1 489 . 1 1 46 46 LEU C C 13 174.858 0.000 . . . . . . 554 LEU C . 18338 1 490 . 1 1 46 46 LEU CA C 13 54.827 0.055 . . . . . . 554 LEU CA . 18338 1 491 . 1 1 46 46 LEU CB C 13 44.982 0.082 . . . . . . 554 LEU CB . 18338 1 492 . 1 1 46 46 LEU CD1 C 13 27.355 0.019 . . . . . . 554 LEU CD1 . 18338 1 493 . 1 1 46 46 LEU CD2 C 13 24.435 0.012 . . . . . . 554 LEU CD2 . 18338 1 494 . 1 1 46 46 LEU N N 15 127.253 0.064 . . . . . . 554 LEU N . 18338 1 495 . 1 1 47 47 TYR H H 1 9.221 0.007 . . . . . . 555 TYR H . 18338 1 496 . 1 1 47 47 TYR HA H 1 5.254 0.006 . . . . . . 555 TYR HA . 18338 1 497 . 1 1 47 47 TYR HB2 H 1 3.252 0.008 . . . . . . 555 TYR HB2 . 18338 1 498 . 1 1 47 47 TYR HB3 H 1 2.554 0.006 . . . . . . 555 TYR HB3 . 18338 1 499 . 1 1 47 47 TYR HD1 H 1 6.988 0.001 . . . . . . 555 TYR HD . 18338 1 500 . 1 1 47 47 TYR HD2 H 1 6.988 0.001 . . . . . . 555 TYR HD . 18338 1 501 . 1 1 47 47 TYR C C 13 174.921 0.000 . . . . . . 555 TYR C . 18338 1 502 . 1 1 47 47 TYR CA C 13 56.737 0.093 . . . . . . 555 TYR CA . 18338 1 503 . 1 1 47 47 TYR CB C 13 42.933 0.089 . . . . . . 555 TYR CB . 18338 1 504 . 1 1 47 47 TYR N N 15 123.266 0.053 . . . . . . 555 TYR N . 18338 1 505 . 1 1 48 48 LEU H H 1 9.195 0.007 . . . . . . 556 LEU H . 18338 1 506 . 1 1 48 48 LEU HA H 1 5.843 0.005 . . . . . . 556 LEU HA . 18338 1 507 . 1 1 48 48 LEU HB2 H 1 1.867 0.008 . . . . . . 556 LEU HB2 . 18338 1 508 . 1 1 48 48 LEU HB3 H 1 1.546 0.006 . . . . . . 556 LEU HB3 . 18338 1 509 . 1 1 48 48 LEU HG H 1 1.886 0.006 . . . . . . 556 LEU HG . 18338 1 510 . 1 1 48 48 LEU HD11 H 1 1.039 0.006 . . . . . . 556 LEU HD1 . 18338 1 511 . 1 1 48 48 LEU HD12 H 1 1.039 0.006 . . . . . . 556 LEU HD1 . 18338 1 512 . 1 1 48 48 LEU HD13 H 1 1.039 0.006 . . . . . . 556 LEU HD1 . 18338 1 513 . 1 1 48 48 LEU HD21 H 1 0.974 0.005 . . . . . . 556 LEU HD2 . 18338 1 514 . 1 1 48 48 LEU HD22 H 1 0.974 0.005 . . . . . . 556 LEU HD2 . 18338 1 515 . 1 1 48 48 LEU HD23 H 1 0.974 0.005 . . . . . . 556 LEU HD2 . 18338 1 516 . 1 1 48 48 LEU C C 13 176.539 0.000 . . . . . . 556 LEU C . 18338 1 517 . 1 1 48 48 LEU CA C 13 53.872 0.072 . . . . . . 556 LEU CA . 18338 1 518 . 1 1 48 48 LEU CB C 13 48.500 0.095 . . . . . . 556 LEU CB . 18338 1 519 . 1 1 48 48 LEU CG C 13 28.405 0.017 . . . . . . 556 LEU CG . 18338 1 520 . 1 1 48 48 LEU CD1 C 13 26.514 0.071 . . . . . . 556 LEU CD1 . 18338 1 521 . 1 1 48 48 LEU CD2 C 13 26.175 0.023 . . . . . . 556 LEU CD2 . 18338 1 522 . 1 1 48 48 LEU N N 15 122.084 0.043 . . . . . . 556 LEU N . 18338 1 523 . 1 1 49 49 LYS H H 1 9.891 0.004 . . . . . . 557 LYS H . 18338 1 524 . 1 1 49 49 LYS HA H 1 4.691 0.007 . . . . . . 557 LYS HA . 18338 1 525 . 1 1 49 49 LYS HB2 H 1 2.480 0.005 . . . . . . 557 LYS HB2 . 18338 1 526 . 1 1 49 49 LYS HB3 H 1 1.619 0.004 . . . . . . 557 LYS HB3 . 18338 1 527 . 1 1 49 49 LYS HG2 H 1 1.406 0.004 . . . . . . 557 LYS HG2 . 18338 1 528 . 1 1 49 49 LYS HG3 H 1 1.327 0.004 . . . . . . 557 LYS HG3 . 18338 1 529 . 1 1 49 49 LYS HD2 H 1 1.395 0.004 . . . . . . 557 LYS HD2 . 18338 1 530 . 1 1 49 49 LYS HD3 H 1 1.300 0.005 . . . . . . 557 LYS HD3 . 18338 1 531 . 1 1 49 49 LYS HE2 H 1 2.782 0.004 . . . . . . 557 LYS HE2 . 18338 1 532 . 1 1 49 49 LYS HE3 H 1 2.719 0.005 . . . . . . 557 LYS HE3 . 18338 1 533 . 1 1 49 49 LYS C C 13 173.360 0.000 . . . . . . 557 LYS C . 18338 1 534 . 1 1 49 49 LYS CA C 13 57.024 0.050 . . . . . . 557 LYS CA . 18338 1 535 . 1 1 49 49 LYS CB C 13 37.879 0.035 . . . . . . 557 LYS CB . 18338 1 536 . 1 1 49 49 LYS CG C 13 25.901 0.004 . . . . . . 557 LYS CG . 18338 1 537 . 1 1 49 49 LYS CD C 13 29.120 0.000 . . . . . . 557 LYS CD . 18338 1 538 . 1 1 49 49 LYS CE C 13 42.460 0.000 . . . . . . 557 LYS CE . 18338 1 539 . 1 1 49 49 LYS N N 15 128.725 0.052 . . . . . . 557 LYS N . 18338 1 540 . 1 1 50 50 ALA H H 1 8.992 0.004 . . . . . . 558 ALA H . 18338 1 541 . 1 1 50 50 ALA HA H 1 4.323 0.013 . . . . . . 558 ALA HA . 18338 1 542 . 1 1 50 50 ALA HB1 H 1 1.375 0.004 . . . . . . 558 ALA HB . 18338 1 543 . 1 1 50 50 ALA HB2 H 1 1.375 0.004 . . . . . . 558 ALA HB . 18338 1 544 . 1 1 50 50 ALA HB3 H 1 1.375 0.004 . . . . . . 558 ALA HB . 18338 1 545 . 1 1 50 50 ALA C C 13 178.937 0.000 . . . . . . 558 ALA C . 18338 1 546 . 1 1 50 50 ALA CA C 13 52.612 0.056 . . . . . . 558 ALA CA . 18338 1 547 . 1 1 50 50 ALA CB C 13 19.411 0.103 . . . . . . 558 ALA CB . 18338 1 548 . 1 1 50 50 ALA N N 15 129.872 0.032 . . . . . . 558 ALA N . 18338 1 549 . 1 1 51 51 GLY H H 1 8.790 0.006 . . . . . . 559 GLY H . 18338 1 550 . 1 1 51 51 GLY HA2 H 1 4.252 0.008 . . . . . . 559 GLY HA2 . 18338 1 551 . 1 1 51 51 GLY HA3 H 1 3.802 0.007 . . . . . . 559 GLY HA3 . 18338 1 552 . 1 1 51 51 GLY C C 13 173.059 0.000 . . . . . . 559 GLY C . 18338 1 553 . 1 1 51 51 GLY CA C 13 47.267 0.040 . . . . . . 559 GLY CA . 18338 1 554 . 1 1 51 51 GLY N N 15 112.515 0.052 . . . . . . 559 GLY N . 18338 1 555 . 1 1 52 52 SER H H 1 7.106 0.002 . . . . . . 560 SER H . 18338 1 556 . 1 1 52 52 SER HA H 1 3.731 0.011 . . . . . . 560 SER HA . 18338 1 557 . 1 1 52 52 SER HB2 H 1 3.503 0.007 . . . . . . 560 SER HB . 18338 1 558 . 1 1 52 52 SER HB3 H 1 3.503 0.007 . . . . . . 560 SER HB . 18338 1 559 . 1 1 52 52 SER C C 13 170.761 0.000 . . . . . . 560 SER C . 18338 1 560 . 1 1 52 52 SER CA C 13 56.565 0.055 . . . . . . 560 SER CA . 18338 1 561 . 1 1 52 52 SER CB C 13 64.590 0.031 . . . . . . 560 SER CB . 18338 1 562 . 1 1 52 52 SER N N 15 113.290 0.060 . . . . . . 560 SER N . 18338 1 563 . 1 1 53 53 LYS H H 1 7.527 0.003 . . . . . . 561 LYS H . 18338 1 564 . 1 1 53 53 LYS HA H 1 3.919 0.004 . . . . . . 561 LYS HA . 18338 1 565 . 1 1 53 53 LYS HB2 H 1 1.539 0.004 . . . . . . 561 LYS HB2 . 18338 1 566 . 1 1 53 53 LYS HB3 H 1 1.315 0.007 . . . . . . 561 LYS HB3 . 18338 1 567 . 1 1 53 53 LYS HG2 H 1 1.253 0.004 . . . . . . 561 LYS HG2 . 18338 1 568 . 1 1 53 53 LYS HG3 H 1 1.137 0.004 . . . . . . 561 LYS HG3 . 18338 1 569 . 1 1 53 53 LYS HD2 H 1 0.982 0.003 . . . . . . 561 LYS HD2 . 18338 1 570 . 1 1 53 53 LYS HD3 H 1 0.844 0.004 . . . . . . 561 LYS HD3 . 18338 1 571 . 1 1 53 53 LYS HE2 H 1 2.211 0.003 . . . . . . 561 LYS HE2 . 18338 1 572 . 1 1 53 53 LYS HE3 H 1 2.147 0.004 . . . . . . 561 LYS HE3 . 18338 1 573 . 1 1 53 53 LYS CA C 13 55.291 0.038 . . . . . . 561 LYS CA . 18338 1 574 . 1 1 53 53 LYS CB C 13 32.207 0.047 . . . . . . 561 LYS CB . 18338 1 575 . 1 1 53 53 LYS CG C 13 25.515 0.055 . . . . . . 561 LYS CG . 18338 1 576 . 1 1 53 53 LYS CD C 13 29.210 0.001 . . . . . . 561 LYS CD . 18338 1 577 . 1 1 53 53 LYS CE C 13 41.070 0.000 . . . . . . 561 LYS CE . 18338 1 578 . 1 1 53 53 LYS N N 15 116.793 0.046 . . . . . . 561 LYS N . 18338 1 579 . 1 1 54 54 PRO HA H 1 4.940 0.003 . . . . . . 562 PRO HA . 18338 1 580 . 1 1 54 54 PRO HB2 H 1 2.525 0.007 . . . . . . 562 PRO HB2 . 18338 1 581 . 1 1 54 54 PRO HB3 H 1 2.078 0.003 . . . . . . 562 PRO HB3 . 18338 1 582 . 1 1 54 54 PRO HG2 H 1 2.172 0.002 . . . . . . 562 PRO HG2 . 18338 1 583 . 1 1 54 54 PRO HG3 H 1 2.062 0.002 . . . . . . 562 PRO HG3 . 18338 1 584 . 1 1 54 54 PRO HD2 H 1 4.184 0.009 . . . . . . 562 PRO HD2 . 18338 1 585 . 1 1 54 54 PRO HD3 H 1 3.719 0.003 . . . . . . 562 PRO HD3 . 18338 1 586 . 1 1 54 54 PRO C C 13 175.132 0.000 . . . . . . 562 PRO C . 18338 1 587 . 1 1 54 54 PRO CA C 13 62.171 0.034 . . . . . . 562 PRO CA . 18338 1 588 . 1 1 54 54 PRO CB C 13 33.519 0.070 . . . . . . 562 PRO CB . 18338 1 589 . 1 1 54 54 PRO CG C 13 27.817 0.040 . . . . . . 562 PRO CG . 18338 1 590 . 1 1 54 54 PRO CD C 13 51.055 0.063 . . . . . . 562 PRO CD . 18338 1 591 . 1 1 55 55 THR H H 1 8.813 0.004 . . . . . . 563 THR H . 18338 1 592 . 1 1 55 55 THR HA H 1 4.645 0.005 . . . . . . 563 THR HA . 18338 1 593 . 1 1 55 55 THR HB H 1 4.582 0.005 . . . . . . 563 THR HB . 18338 1 594 . 1 1 55 55 THR HG21 H 1 1.189 0.003 . . . . . . 563 THR HG2 . 18338 1 595 . 1 1 55 55 THR HG22 H 1 1.189 0.003 . . . . . . 563 THR HG2 . 18338 1 596 . 1 1 55 55 THR HG23 H 1 1.189 0.003 . . . . . . 563 THR HG2 . 18338 1 597 . 1 1 55 55 THR C C 13 174.713 0.000 . . . . . . 563 THR C . 18338 1 598 . 1 1 55 55 THR CA C 13 58.957 0.048 . . . . . . 563 THR CA . 18338 1 599 . 1 1 55 55 THR CB C 13 72.775 0.135 . . . . . . 563 THR CB . 18338 1 600 . 1 1 55 55 THR CG2 C 13 21.275 0.008 . . . . . . 563 THR CG2 . 18338 1 601 . 1 1 55 55 THR N N 15 108.457 0.048 . . . . . . 563 THR N . 18338 1 602 . 1 1 56 56 THR H H 1 8.544 0.003 . . . . . . 564 THR H . 18338 1 603 . 1 1 56 56 THR HA H 1 4.148 0.007 . . . . . . 564 THR HA . 18338 1 604 . 1 1 56 56 THR HB H 1 4.417 0.002 . . . . . . 564 THR HB . 18338 1 605 . 1 1 56 56 THR HG21 H 1 1.241 0.007 . . . . . . 564 THR HG2 . 18338 1 606 . 1 1 56 56 THR HG22 H 1 1.241 0.007 . . . . . . 564 THR HG2 . 18338 1 607 . 1 1 56 56 THR HG23 H 1 1.241 0.007 . . . . . . 564 THR HG2 . 18338 1 608 . 1 1 56 56 THR CA C 13 65.197 0.103 . . . . . . 564 THR CA . 18338 1 609 . 1 1 56 56 THR CB C 13 68.401 0.139 . . . . . . 564 THR CB . 18338 1 610 . 1 1 56 56 THR CG2 C 13 22.206 0.031 . . . . . . 564 THR CG2 . 18338 1 611 . 1 1 56 56 THR N N 15 106.629 0.079 . . . . . . 564 THR N . 18338 1 612 . 1 1 57 57 SER H H 1 8.004 0.008 . . . . . . 565 SER H . 18338 1 613 . 1 1 57 57 SER HA H 1 4.917 0.008 . . . . . . 565 SER HA . 18338 1 614 . 1 1 57 57 SER HB2 H 1 3.827 0.004 . . . . . . 565 SER HB2 . 18338 1 615 . 1 1 57 57 SER HB3 H 1 3.736 0.008 . . . . . . 565 SER HB3 . 18338 1 616 . 1 1 57 57 SER C C 13 173.551 0.000 . . . . . . 565 SER C . 18338 1 617 . 1 1 57 57 SER CA C 13 58.255 0.037 . . . . . . 565 SER CA . 18338 1 618 . 1 1 57 57 SER CB C 13 64.941 0.065 . . . . . . 565 SER CB . 18338 1 619 . 1 1 57 57 SER N N 15 112.693 0.057 . . . . . . 565 SER N . 18338 1 620 . 1 1 58 58 SER H H 1 7.671 0.008 . . . . . . 566 SER H . 18338 1 621 . 1 1 58 58 SER HA H 1 4.491 0.005 . . . . . . 566 SER HA . 18338 1 622 . 1 1 58 58 SER HB2 H 1 3.833 0.006 . . . . . . 566 SER HB2 . 18338 1 623 . 1 1 58 58 SER HB3 H 1 3.415 0.007 . . . . . . 566 SER HB3 . 18338 1 624 . 1 1 58 58 SER C C 13 173.910 0.000 . . . . . . 566 SER C . 18338 1 625 . 1 1 58 58 SER CA C 13 56.655 0.070 . . . . . . 566 SER CA . 18338 1 626 . 1 1 58 58 SER CB C 13 62.899 0.055 . . . . . . 566 SER CB . 18338 1 627 . 1 1 58 58 SER N N 15 120.905 0.069 . . . . . . 566 SER N . 18338 1 628 . 1 1 59 59 TRP H H 1 7.545 0.003 . . . . . . 567 TRP H . 18338 1 629 . 1 1 59 59 TRP HA H 1 4.528 0.008 . . . . . . 567 TRP HA . 18338 1 630 . 1 1 59 59 TRP HB2 H 1 3.992 0.006 . . . . . . 567 TRP HB2 . 18338 1 631 . 1 1 59 59 TRP HB3 H 1 3.384 0.006 . . . . . . 567 TRP HB3 . 18338 1 632 . 1 1 59 59 TRP HD1 H 1 6.973 0.008 . . . . . . 567 TRP HD1 . 18338 1 633 . 1 1 59 59 TRP HE1 H 1 10.154 0.006 . . . . . . 567 TRP HE1 . 18338 1 634 . 1 1 59 59 TRP HE3 H 1 7.263 0.000 . . . . . . 567 TRP HE3 . 18338 1 635 . 1 1 59 59 TRP HZ2 H 1 7.597 0.000 . . . . . . 567 TRP HZ2 . 18338 1 636 . 1 1 59 59 TRP C C 13 173.927 0.000 . . . . . . 567 TRP C . 18338 1 637 . 1 1 59 59 TRP CA C 13 55.383 0.112 . . . . . . 567 TRP CA . 18338 1 638 . 1 1 59 59 TRP CB C 13 30.762 0.043 . . . . . . 567 TRP CB . 18338 1 639 . 1 1 59 59 TRP N N 15 121.149 0.069 . . . . . . 567 TRP N . 18338 1 640 . 1 1 59 59 TRP NE1 N 15 131.107 0.039 . . . . . . 567 TRP NE1 . 18338 1 641 . 1 1 60 60 ASP H H 1 9.340 0.006 . . . . . . 568 ASP H . 18338 1 642 . 1 1 60 60 ASP HA H 1 5.100 0.007 . . . . . . 568 ASP HA . 18338 1 643 . 1 1 60 60 ASP HB2 H 1 3.030 0.006 . . . . . . 568 ASP HB2 . 18338 1 644 . 1 1 60 60 ASP HB3 H 1 2.708 0.006 . . . . . . 568 ASP HB3 . 18338 1 645 . 1 1 60 60 ASP C C 13 176.469 0.000 . . . . . . 568 ASP C . 18338 1 646 . 1 1 60 60 ASP CA C 13 55.578 0.081 . . . . . . 568 ASP CA . 18338 1 647 . 1 1 60 60 ASP CB C 13 42.752 0.064 . . . . . . 568 ASP CB . 18338 1 648 . 1 1 60 60 ASP N N 15 118.071 0.064 . . . . . . 568 ASP N . 18338 1 649 . 1 1 61 61 CYS H H 1 8.396 0.008 . . . . . . 569 CYS H . 18338 1 650 . 1 1 61 61 CYS HA H 1 4.783 0.008 . . . . . . 569 CYS HA . 18338 1 651 . 1 1 61 61 CYS HB2 H 1 2.727 0.005 . . . . . . 569 CYS HB2 . 18338 1 652 . 1 1 61 61 CYS HB3 H 1 4.033 0.004 . . . . . . 569 CYS HB3 . 18338 1 653 . 1 1 61 61 CYS C C 13 171.225 0.000 . . . . . . 569 CYS C . 18338 1 654 . 1 1 61 61 CYS CA C 13 55.685 0.053 . . . . . . 569 CYS CA . 18338 1 655 . 1 1 61 61 CYS CB C 13 48.542 0.096 . . . . . . 569 CYS CB . 18338 1 656 . 1 1 61 61 CYS N N 15 119.686 0.087 . . . . . . 569 CYS N . 18338 1 657 . 1 1 62 62 ARG H H 1 8.778 0.003 . . . . . . 570 ARG H . 18338 1 658 . 1 1 62 62 ARG HA H 1 4.573 0.008 . . . . . . 570 ARG HA . 18338 1 659 . 1 1 62 62 ARG HB2 H 1 0.324 0.008 . . . . . . 570 ARG HB2 . 18338 1 660 . 1 1 62 62 ARG HB3 H 1 -1.011 0.013 . . . . . . 570 ARG HB3 . 18338 1 661 . 1 1 62 62 ARG HG2 H 1 -0.025 0.005 . . . . . . 570 ARG HG2 . 18338 1 662 . 1 1 62 62 ARG HG3 H 1 -0.658 0.007 . . . . . . 570 ARG HG3 . 18338 1 663 . 1 1 62 62 ARG HD2 H 1 2.158 0.013 . . . . . . 570 ARG HD2 . 18338 1 664 . 1 1 62 62 ARG HD3 H 1 1.224 0.006 . . . . . . 570 ARG HD3 . 18338 1 665 . 1 1 62 62 ARG CA C 13 53.597 0.087 . . . . . . 570 ARG CA . 18338 1 666 . 1 1 62 62 ARG CB C 13 27.139 0.030 . . . . . . 570 ARG CB . 18338 1 667 . 1 1 62 62 ARG CD C 13 43.440 0.064 . . . . . . 570 ARG CD . 18338 1 668 . 1 1 62 62 ARG N N 15 129.511 0.058 . . . . . . 570 ARG N . 18338 1 669 . 1 1 63 63 PRO HA H 1 3.977 0.005 . . . . . . 571 PRO HA . 18338 1 670 . 1 1 63 63 PRO HB2 H 1 2.380 0.006 . . . . . . 571 PRO HB2 . 18338 1 671 . 1 1 63 63 PRO HB3 H 1 1.414 0.007 . . . . . . 571 PRO HB3 . 18338 1 672 . 1 1 63 63 PRO HG2 H 1 1.781 0.003 . . . . . . 571 PRO HG2 . 18338 1 673 . 1 1 63 63 PRO HG3 H 1 1.717 0.006 . . . . . . 571 PRO HG3 . 18338 1 674 . 1 1 63 63 PRO HD2 H 1 3.662 0.011 . . . . . . 571 PRO HD2 . 18338 1 675 . 1 1 63 63 PRO HD3 H 1 3.463 0.002 . . . . . . 571 PRO HD3 . 18338 1 676 . 1 1 63 63 PRO C C 13 177.304 0.000 . . . . . . 571 PRO C . 18338 1 677 . 1 1 63 63 PRO CA C 13 65.500 0.032 . . . . . . 571 PRO CA . 18338 1 678 . 1 1 63 63 PRO CB C 13 32.878 0.036 . . . . . . 571 PRO CB . 18338 1 679 . 1 1 63 63 PRO CG C 13 29.340 0.000 . . . . . . 571 PRO CG . 18338 1 680 . 1 1 63 63 PRO CD C 13 50.482 0.037 . . . . . . 571 PRO CD . 18338 1 681 . 1 1 64 64 TYR H H 1 10.090 0.014 . . . . . . 572 TYR H . 18338 1 682 . 1 1 64 64 TYR HA H 1 3.304 0.010 . . . . . . 572 TYR HA . 18338 1 683 . 1 1 64 64 TYR HB2 H 1 3.380 0.004 . . . . . . 572 TYR HB2 . 18338 1 684 . 1 1 64 64 TYR HB3 H 1 2.011 0.007 . . . . . . 572 TYR HB3 . 18338 1 685 . 1 1 64 64 TYR HD1 H 1 6.860 0.013 . . . . . . 572 TYR HD . 18338 1 686 . 1 1 64 64 TYR HD2 H 1 6.860 0.013 . . . . . . 572 TYR HD . 18338 1 687 . 1 1 64 64 TYR C C 13 173.572 0.000 . . . . . . 572 TYR C . 18338 1 688 . 1 1 64 64 TYR CA C 13 57.522 0.107 . . . . . . 572 TYR CA . 18338 1 689 . 1 1 64 64 TYR CB C 13 37.864 0.027 . . . . . . 572 TYR CB . 18338 1 690 . 1 1 64 64 TYR N N 15 122.809 0.043 . . . . . . 572 TYR N . 18338 1 691 . 1 1 65 65 ARG H H 1 6.430 0.007 . . . . . . 573 ARG H . 18338 1 692 . 1 1 65 65 ARG HA H 1 4.091 0.005 . . . . . . 573 ARG HA . 18338 1 693 . 1 1 65 65 ARG HB2 H 1 1.619 0.004 . . . . . . 573 ARG HB2 . 18338 1 694 . 1 1 65 65 ARG HB3 H 1 1.361 0.009 . . . . . . 573 ARG HB3 . 18338 1 695 . 1 1 65 65 ARG HG2 H 1 1.358 0.002 . . . . . . 573 ARG HG2 . 18338 1 696 . 1 1 65 65 ARG HG3 H 1 1.253 0.003 . . . . . . 573 ARG HG3 . 18338 1 697 . 1 1 65 65 ARG HD2 H 1 3.147 0.002 . . . . . . 573 ARG HD2 . 18338 1 698 . 1 1 65 65 ARG HD3 H 1 3.093 0.003 . . . . . . 573 ARG HD3 . 18338 1 699 . 1 1 65 65 ARG CA C 13 52.956 0.084 . . . . . . 573 ARG CA . 18338 1 700 . 1 1 65 65 ARG CB C 13 32.330 0.065 . . . . . . 573 ARG CB . 18338 1 701 . 1 1 65 65 ARG CG C 13 27.035 0.005 . . . . . . 573 ARG CG . 18338 1 702 . 1 1 65 65 ARG CD C 13 42.850 0.000 . . . . . . 573 ARG CD . 18338 1 703 . 1 1 65 65 ARG N N 15 114.195 0.039 . . . . . . 573 ARG N . 18338 1 704 . 1 1 66 66 TYR HA H 1 4.362 0.006 . . . . . . 574 TYR HA . 18338 1 705 . 1 1 66 66 TYR HB2 H 1 2.816 0.003 . . . . . . 574 TYR HB . 18338 1 706 . 1 1 66 66 TYR HB3 H 1 2.816 0.003 . . . . . . 574 TYR HB . 18338 1 707 . 1 1 66 66 TYR HD1 H 1 7.173 0.004 . . . . . . 574 TYR HD . 18338 1 708 . 1 1 66 66 TYR HD2 H 1 7.173 0.004 . . . . . . 574 TYR HD . 18338 1 709 . 1 1 66 66 TYR HE1 H 1 6.923 0.002 . . . . . . 574 TYR HE . 18338 1 710 . 1 1 66 66 TYR HE2 H 1 6.923 0.002 . . . . . . 574 TYR HE . 18338 1 711 . 1 1 66 66 TYR C C 13 177.018 0.000 . . . . . . 574 TYR C . 18338 1 712 . 1 1 66 66 TYR CA C 13 59.865 0.019 . . . . . . 574 TYR CA . 18338 1 713 . 1 1 66 66 TYR CB C 13 37.215 0.029 . . . . . . 574 TYR CB . 18338 1 714 . 1 1 67 67 GLY H H 1 8.149 0.004 . . . . . . 575 GLY H . 18338 1 715 . 1 1 67 67 GLY HA2 H 1 4.115 0.006 . . . . . . 575 GLY HA2 . 18338 1 716 . 1 1 67 67 GLY HA3 H 1 3.701 0.009 . . . . . . 575 GLY HA3 . 18338 1 717 . 1 1 67 67 GLY C C 13 174.803 0.000 . . . . . . 575 GLY C . 18338 1 718 . 1 1 67 67 GLY CA C 13 44.202 0.055 . . . . . . 575 GLY CA . 18338 1 719 . 1 1 67 67 GLY N N 15 113.697 0.060 . . . . . . 575 GLY N . 18338 1 720 . 1 1 68 68 ASN H H 1 8.375 0.008 . . . . . . 576 ASN H . 18338 1 721 . 1 1 68 68 ASN HA H 1 4.727 0.005 . . . . . . 576 ASN HA . 18338 1 722 . 1 1 68 68 ASN HB2 H 1 2.819 0.005 . . . . . . 576 ASN HB2 . 18338 1 723 . 1 1 68 68 ASN HB3 H 1 2.589 0.010 . . . . . . 576 ASN HB3 . 18338 1 724 . 1 1 68 68 ASN HD21 H 1 7.482 0.005 . . . . . . 576 ASN HD21 . 18338 1 725 . 1 1 68 68 ASN HD22 H 1 5.659 0.002 . . . . . . 576 ASN HD22 . 18338 1 726 . 1 1 68 68 ASN C C 13 172.993 0.000 . . . . . . 576 ASN C . 18338 1 727 . 1 1 68 68 ASN CA C 13 53.322 0.039 . . . . . . 576 ASN CA . 18338 1 728 . 1 1 68 68 ASN CB C 13 40.326 0.051 . . . . . . 576 ASN CB . 18338 1 729 . 1 1 68 68 ASN N N 15 118.895 0.051 . . . . . . 576 ASN N . 18338 1 730 . 1 1 68 68 ASN ND2 N 15 108.969 0.087 . . . . . . 576 ASN ND2 . 18338 1 731 . 1 1 69 69 ASN H H 1 7.918 0.009 . . . . . . 577 ASN H . 18338 1 732 . 1 1 69 69 ASN HA H 1 5.256 0.006 . . . . . . 577 ASN HA . 18338 1 733 . 1 1 69 69 ASN HB2 H 1 2.725 0.004 . . . . . . 577 ASN HB2 . 18338 1 734 . 1 1 69 69 ASN HB3 H 1 2.549 0.006 . . . . . . 577 ASN HB3 . 18338 1 735 . 1 1 69 69 ASN HD21 H 1 7.462 0.002 . . . . . . 577 ASN HD21 . 18338 1 736 . 1 1 69 69 ASN HD22 H 1 6.871 0.001 . . . . . . 577 ASN HD22 . 18338 1 737 . 1 1 69 69 ASN C C 13 174.365 0.000 . . . . . . 577 ASN C . 18338 1 738 . 1 1 69 69 ASN CA C 13 52.078 0.039 . . . . . . 577 ASN CA . 18338 1 739 . 1 1 69 69 ASN CB C 13 37.520 0.089 . . . . . . 577 ASN CB . 18338 1 740 . 1 1 69 69 ASN N N 15 116.379 0.031 . . . . . . 577 ASN N . 18338 1 741 . 1 1 69 69 ASN ND2 N 15 113.895 0.024 . . . . . . 577 ASN ND2 . 18338 1 742 . 1 1 70 70 GLU H H 1 7.975 0.007 . . . . . . 578 GLU H . 18338 1 743 . 1 1 70 70 GLU HA H 1 4.565 0.008 . . . . . . 578 GLU HA . 18338 1 744 . 1 1 70 70 GLU HB2 H 1 1.731 0.005 . . . . . . 578 GLU HB2 . 18338 1 745 . 1 1 70 70 GLU HB3 H 1 1.592 0.003 . . . . . . 578 GLU HB3 . 18338 1 746 . 1 1 70 70 GLU HG2 H 1 1.940 0.002 . . . . . . 578 GLU HG2 . 18338 1 747 . 1 1 70 70 GLU HG3 H 1 1.834 0.005 . . . . . . 578 GLU HG3 . 18338 1 748 . 1 1 70 70 GLU C C 13 174.425 0.000 . . . . . . 578 GLU C . 18338 1 749 . 1 1 70 70 GLU CA C 13 54.726 0.084 . . . . . . 578 GLU CA . 18338 1 750 . 1 1 70 70 GLU CB C 13 35.172 0.073 . . . . . . 578 GLU CB . 18338 1 751 . 1 1 70 70 GLU CG C 13 36.533 0.037 . . . . . . 578 GLU CG . 18338 1 752 . 1 1 70 70 GLU N N 15 122.987 0.041 . . . . . . 578 GLU N . 18338 1 753 . 1 1 71 71 SER H H 1 8.399 0.008 . . . . . . 579 SER H . 18338 1 754 . 1 1 71 71 SER HA H 1 5.101 0.004 . . . . . . 579 SER HA . 18338 1 755 . 1 1 71 71 SER HB2 H 1 3.507 0.003 . . . . . . 579 SER HB2 . 18338 1 756 . 1 1 71 71 SER HB3 H 1 3.452 0.004 . . . . . . 579 SER HB3 . 18338 1 757 . 1 1 71 71 SER C C 13 172.212 0.000 . . . . . . 579 SER C . 18338 1 758 . 1 1 71 71 SER CA C 13 57.203 0.085 . . . . . . 579 SER CA . 18338 1 759 . 1 1 71 71 SER CB C 13 65.949 0.025 . . . . . . 579 SER CB . 18338 1 760 . 1 1 71 71 SER N N 15 113.556 0.055 . . . . . . 579 SER N . 18338 1 761 . 1 1 72 72 CYS H H 1 9.023 0.006 . . . . . . 580 CYS H . 18338 1 762 . 1 1 72 72 CYS HA H 1 4.812 0.004 . . . . . . 580 CYS HA . 18338 1 763 . 1 1 72 72 CYS HB2 H 1 2.573 0.007 . . . . . . 580 CYS HB2 . 18338 1 764 . 1 1 72 72 CYS HB3 H 1 2.861 0.007 . . . . . . 580 CYS HB3 . 18338 1 765 . 1 1 72 72 CYS C C 13 172.383 0.000 . . . . . . 580 CYS C . 18338 1 766 . 1 1 72 72 CYS CA C 13 54.896 0.104 . . . . . . 580 CYS CA . 18338 1 767 . 1 1 72 72 CYS CB C 13 48.547 0.108 . . . . . . 580 CYS CB . 18338 1 768 . 1 1 72 72 CYS N N 15 119.683 0.044 . . . . . . 580 CYS N . 18338 1 769 . 1 1 73 73 SER H H 1 8.692 0.009 . . . . . . 581 SER H . 18338 1 770 . 1 1 73 73 SER HA H 1 5.488 0.009 . . . . . . 581 SER HA . 18338 1 771 . 1 1 73 73 SER HB2 H 1 3.584 0.005 . . . . . . 581 SER HB . 18338 1 772 . 1 1 73 73 SER HB3 H 1 3.584 0.005 . . . . . . 581 SER HB . 18338 1 773 . 1 1 73 73 SER C C 13 174.748 0.000 . . . . . . 581 SER C . 18338 1 774 . 1 1 73 73 SER CA C 13 56.549 0.088 . . . . . . 581 SER CA . 18338 1 775 . 1 1 73 73 SER CB C 13 64.254 0.046 . . . . . . 581 SER CB . 18338 1 776 . 1 1 73 73 SER N N 15 117.850 0.061 . . . . . . 581 SER N . 18338 1 777 . 1 1 74 74 VAL H H 1 9.267 0.002 . . . . . . 582 VAL H . 18338 1 778 . 1 1 74 74 VAL HA H 1 4.522 0.008 . . . . . . 582 VAL HA . 18338 1 779 . 1 1 74 74 VAL HB H 1 1.927 0.006 . . . . . . 582 VAL HB . 18338 1 780 . 1 1 74 74 VAL HG11 H 1 0.790 0.004 . . . . . . 582 VAL HG1 . 18338 1 781 . 1 1 74 74 VAL HG12 H 1 0.790 0.004 . . . . . . 582 VAL HG1 . 18338 1 782 . 1 1 74 74 VAL HG13 H 1 0.790 0.004 . . . . . . 582 VAL HG1 . 18338 1 783 . 1 1 74 74 VAL HG21 H 1 0.695 0.006 . . . . . . 582 VAL HG2 . 18338 1 784 . 1 1 74 74 VAL HG22 H 1 0.695 0.006 . . . . . . 582 VAL HG2 . 18338 1 785 . 1 1 74 74 VAL HG23 H 1 0.695 0.006 . . . . . . 582 VAL HG2 . 18338 1 786 . 1 1 74 74 VAL C C 13 174.024 0.000 . . . . . . 582 VAL C . 18338 1 787 . 1 1 74 74 VAL CA C 13 59.581 0.055 . . . . . . 582 VAL CA . 18338 1 788 . 1 1 74 74 VAL CB C 13 35.836 0.032 . . . . . . 582 VAL CB . 18338 1 789 . 1 1 74 74 VAL CG1 C 13 21.108 0.010 . . . . . . 582 VAL CG1 . 18338 1 790 . 1 1 74 74 VAL CG2 C 13 20.561 0.070 . . . . . . 582 VAL CG2 . 18338 1 791 . 1 1 74 74 VAL N N 15 123.693 0.027 . . . . . . 582 VAL N . 18338 1 792 . 1 1 75 75 SER H H 1 8.662 0.003 . . . . . . 583 SER H . 18338 1 793 . 1 1 75 75 SER HA H 1 4.528 0.013 . . . . . . 583 SER HA . 18338 1 794 . 1 1 75 75 SER HB2 H 1 3.880 0.007 . . . . . . 583 SER HB2 . 18338 1 795 . 1 1 75 75 SER HB3 H 1 3.764 0.002 . . . . . . 583 SER HB3 . 18338 1 796 . 1 1 75 75 SER C C 13 172.820 0.000 . . . . . . 583 SER C . 18338 1 797 . 1 1 75 75 SER CA C 13 57.825 0.030 . . . . . . 583 SER CA . 18338 1 798 . 1 1 75 75 SER CB C 13 61.711 0.034 . . . . . . 583 SER CB . 18338 1 799 . 1 1 75 75 SER N N 15 122.624 0.084 . . . . . . 583 SER N . 18338 1 800 . 1 1 76 76 ALA H H 1 8.641 0.006 . . . . . . 584 ALA H . 18338 1 801 . 1 1 76 76 ALA HA H 1 4.684 0.007 . . . . . . 584 ALA HA . 18338 1 802 . 1 1 76 76 ALA HB1 H 1 0.984 0.006 . . . . . . 584 ALA HB . 18338 1 803 . 1 1 76 76 ALA HB2 H 1 0.984 0.006 . . . . . . 584 ALA HB . 18338 1 804 . 1 1 76 76 ALA HB3 H 1 0.984 0.006 . . . . . . 584 ALA HB . 18338 1 805 . 1 1 76 76 ALA C C 13 175.473 0.000 . . . . . . 584 ALA C . 18338 1 806 . 1 1 76 76 ALA CA C 13 51.014 0.060 . . . . . . 584 ALA CA . 18338 1 807 . 1 1 76 76 ALA CB C 13 22.549 0.108 . . . . . . 584 ALA CB . 18338 1 808 . 1 1 76 76 ALA N N 15 132.361 0.054 . . . . . . 584 ALA N . 18338 1 809 . 1 1 77 77 ALA H H 1 8.396 0.013 . . . . . . 585 ALA H . 18338 1 810 . 1 1 77 77 ALA HA H 1 4.934 0.005 . . . . . . 585 ALA HA . 18338 1 811 . 1 1 77 77 ALA HB1 H 1 1.275 0.003 . . . . . . 585 ALA HB . 18338 1 812 . 1 1 77 77 ALA HB2 H 1 1.275 0.003 . . . . . . 585 ALA HB . 18338 1 813 . 1 1 77 77 ALA HB3 H 1 1.275 0.003 . . . . . . 585 ALA HB . 18338 1 814 . 1 1 77 77 ALA CA C 13 49.090 0.035 . . . . . . 585 ALA CA . 18338 1 815 . 1 1 77 77 ALA CB C 13 21.306 0.017 . . . . . . 585 ALA CB . 18338 1 816 . 1 1 77 77 ALA N N 15 123.882 0.093 . . . . . . 585 ALA N . 18338 1 817 . 1 1 78 78 PRO HA H 1 4.662 0.006 . . . . . . 586 PRO HA . 18338 1 818 . 1 1 78 78 PRO HB2 H 1 2.250 0.008 . . . . . . 586 PRO HB2 . 18338 1 819 . 1 1 78 78 PRO HB3 H 1 1.818 0.008 . . . . . . 586 PRO HB3 . 18338 1 820 . 1 1 78 78 PRO HG2 H 1 1.960 0.005 . . . . . . 586 PRO HG2 . 18338 1 821 . 1 1 78 78 PRO HG3 H 1 1.448 0.005 . . . . . . 586 PRO HG3 . 18338 1 822 . 1 1 78 78 PRO HD2 H 1 3.518 0.007 . . . . . . 586 PRO HD2 . 18338 1 823 . 1 1 78 78 PRO HD3 H 1 3.202 0.008 . . . . . . 586 PRO HD3 . 18338 1 824 . 1 1 78 78 PRO C C 13 177.674 0.000 . . . . . . 586 PRO C . 18338 1 825 . 1 1 78 78 PRO CA C 13 63.026 0.080 . . . . . . 586 PRO CA . 18338 1 826 . 1 1 78 78 PRO CB C 13 32.223 0.066 . . . . . . 586 PRO CB . 18338 1 827 . 1 1 78 78 PRO CG C 13 27.409 0.034 . . . . . . 586 PRO CG . 18338 1 828 . 1 1 78 78 PRO CD C 13 51.239 0.008 . . . . . . 586 PRO CD . 18338 1 829 . 1 1 79 79 GLY H H 1 9.030 0.008 . . . . . . 587 GLY H . 18338 1 830 . 1 1 79 79 GLY HA2 H 1 4.320 0.009 . . . . . . 587 GLY HA2 . 18338 1 831 . 1 1 79 79 GLY HA3 H 1 3.620 0.007 . . . . . . 587 GLY HA3 . 18338 1 832 . 1 1 79 79 GLY C C 13 174.058 0.000 . . . . . . 587 GLY C . 18338 1 833 . 1 1 79 79 GLY CA C 13 45.383 0.031 . . . . . . 587 GLY CA . 18338 1 834 . 1 1 79 79 GLY N N 15 112.547 0.061 . . . . . . 587 GLY N . 18338 1 835 . 1 1 80 80 THR H H 1 7.099 0.007 . . . . . . 588 THR H . 18338 1 836 . 1 1 80 80 THR HA H 1 4.271 0.008 . . . . . . 588 THR HA . 18338 1 837 . 1 1 80 80 THR HB H 1 3.813 0.005 . . . . . . 588 THR HB . 18338 1 838 . 1 1 80 80 THR HG21 H 1 0.349 0.003 . . . . . . 588 THR HG2 . 18338 1 839 . 1 1 80 80 THR HG22 H 1 0.349 0.003 . . . . . . 588 THR HG2 . 18338 1 840 . 1 1 80 80 THR HG23 H 1 0.349 0.003 . . . . . . 588 THR HG2 . 18338 1 841 . 1 1 80 80 THR C C 13 172.547 0.000 . . . . . . 588 THR C . 18338 1 842 . 1 1 80 80 THR CA C 13 61.934 0.028 . . . . . . 588 THR CA . 18338 1 843 . 1 1 80 80 THR CB C 13 71.420 0.074 . . . . . . 588 THR CB . 18338 1 844 . 1 1 80 80 THR CG2 C 13 20.603 0.022 . . . . . . 588 THR CG2 . 18338 1 845 . 1 1 80 80 THR N N 15 116.815 0.047 . . . . . . 588 THR N . 18338 1 846 . 1 1 81 81 THR H H 1 8.817 0.005 . . . . . . 589 THR H . 18338 1 847 . 1 1 81 81 THR HA H 1 4.133 0.004 . . . . . . 589 THR HA . 18338 1 848 . 1 1 81 81 THR HB H 1 3.836 0.005 . . . . . . 589 THR HB . 18338 1 849 . 1 1 81 81 THR HG21 H 1 0.633 0.005 . . . . . . 589 THR HG2 . 18338 1 850 . 1 1 81 81 THR HG22 H 1 0.633 0.005 . . . . . . 589 THR HG2 . 18338 1 851 . 1 1 81 81 THR HG23 H 1 0.633 0.005 . . . . . . 589 THR HG2 . 18338 1 852 . 1 1 81 81 THR C C 13 171.972 0.000 . . . . . . 589 THR C . 18338 1 853 . 1 1 81 81 THR CA C 13 63.012 0.086 . . . . . . 589 THR CA . 18338 1 854 . 1 1 81 81 THR CB C 13 68.560 0.086 . . . . . . 589 THR CB . 18338 1 855 . 1 1 81 81 THR CG2 C 13 21.537 0.045 . . . . . . 589 THR CG2 . 18338 1 856 . 1 1 81 81 THR N N 15 123.986 0.031 . . . . . . 589 THR N . 18338 1 857 . 1 1 82 82 TYR H H 1 8.508 0.003 . . . . . . 590 TYR H . 18338 1 858 . 1 1 82 82 TYR HA H 1 4.139 0.006 . . . . . . 590 TYR HA . 18338 1 859 . 1 1 82 82 TYR HB2 H 1 1.809 0.008 . . . . . . 590 TYR HB2 . 18338 1 860 . 1 1 82 82 TYR HB3 H 1 0.748 0.008 . . . . . . 590 TYR HB3 . 18338 1 861 . 1 1 82 82 TYR HD1 H 1 6.756 0.004 . . . . . . 590 TYR HD . 18338 1 862 . 1 1 82 82 TYR HD2 H 1 6.756 0.004 . . . . . . 590 TYR HD . 18338 1 863 . 1 1 82 82 TYR HE1 H 1 6.520 0.003 . . . . . . 590 TYR HE . 18338 1 864 . 1 1 82 82 TYR HE2 H 1 6.520 0.003 . . . . . . 590 TYR HE . 18338 1 865 . 1 1 82 82 TYR C C 13 173.605 0.000 . . . . . . 590 TYR C . 18338 1 866 . 1 1 82 82 TYR CA C 13 58.683 0.052 . . . . . . 590 TYR CA . 18338 1 867 . 1 1 82 82 TYR CB C 13 39.375 0.098 . . . . . . 590 TYR CB . 18338 1 868 . 1 1 82 82 TYR N N 15 127.953 0.036 . . . . . . 590 TYR N . 18338 1 869 . 1 1 83 83 HIS H H 1 8.817 0.007 . . . . . . 591 HIS H . 18338 1 870 . 1 1 83 83 HIS HA H 1 5.015 0.007 . . . . . . 591 HIS HA . 18338 1 871 . 1 1 83 83 HIS HB2 H 1 3.572 0.009 . . . . . . 591 HIS HB2 . 18338 1 872 . 1 1 83 83 HIS HB3 H 1 3.008 0.011 . . . . . . 591 HIS HB3 . 18338 1 873 . 1 1 83 83 HIS C C 13 174.201 0.000 . . . . . . 591 HIS C . 18338 1 874 . 1 1 83 83 HIS CA C 13 56.278 0.051 . . . . . . 591 HIS CA . 18338 1 875 . 1 1 83 83 HIS CB C 13 36.290 0.051 . . . . . . 591 HIS CB . 18338 1 876 . 1 1 83 83 HIS N N 15 120.519 0.088 . . . . . . 591 HIS N . 18338 1 877 . 1 1 84 84 VAL H H 1 9.288 0.007 . . . . . . 592 VAL H . 18338 1 878 . 1 1 84 84 VAL HA H 1 5.130 0.007 . . . . . . 592 VAL HA . 18338 1 879 . 1 1 84 84 VAL HB H 1 2.028 0.009 . . . . . . 592 VAL HB . 18338 1 880 . 1 1 84 84 VAL HG11 H 1 1.093 0.004 . . . . . . 592 VAL HG1 . 18338 1 881 . 1 1 84 84 VAL HG12 H 1 1.093 0.004 . . . . . . 592 VAL HG1 . 18338 1 882 . 1 1 84 84 VAL HG13 H 1 1.093 0.004 . . . . . . 592 VAL HG1 . 18338 1 883 . 1 1 84 84 VAL HG21 H 1 0.903 0.005 . . . . . . 592 VAL HG2 . 18338 1 884 . 1 1 84 84 VAL HG22 H 1 0.903 0.005 . . . . . . 592 VAL HG2 . 18338 1 885 . 1 1 84 84 VAL HG23 H 1 0.903 0.005 . . . . . . 592 VAL HG2 . 18338 1 886 . 1 1 84 84 VAL C C 13 174.256 0.000 . . . . . . 592 VAL C . 18338 1 887 . 1 1 84 84 VAL CA C 13 60.180 0.057 . . . . . . 592 VAL CA . 18338 1 888 . 1 1 84 84 VAL CB C 13 36.067 0.072 . . . . . . 592 VAL CB . 18338 1 889 . 1 1 84 84 VAL CG1 C 13 22.372 0.035 . . . . . . 592 VAL CG1 . 18338 1 890 . 1 1 84 84 VAL CG2 C 13 21.646 0.049 . . . . . . 592 VAL CG2 . 18338 1 891 . 1 1 84 84 VAL N N 15 123.721 0.037 . . . . . . 592 VAL N . 18338 1 892 . 1 1 85 85 MET H H 1 9.421 0.003 . . . . . . 593 MET H . 18338 1 893 . 1 1 85 85 MET HA H 1 5.496 0.006 . . . . . . 593 MET HA . 18338 1 894 . 1 1 85 85 MET HB2 H 1 1.764 0.008 . . . . . . 593 MET HB . 18338 1 895 . 1 1 85 85 MET HB3 H 1 1.764 0.008 . . . . . . 593 MET HB . 18338 1 896 . 1 1 85 85 MET HG2 H 1 1.582 0.006 . . . . . . 593 MET HG2 . 18338 1 897 . 1 1 85 85 MET HG3 H 1 1.445 0.007 . . . . . . 593 MET HG3 . 18338 1 898 . 1 1 85 85 MET HE1 H 1 2.043 0.006 . . . . . . 593 MET HE . 18338 1 899 . 1 1 85 85 MET HE2 H 1 2.043 0.006 . . . . . . 593 MET HE . 18338 1 900 . 1 1 85 85 MET HE3 H 1 2.043 0.006 . . . . . . 593 MET HE . 18338 1 901 . 1 1 85 85 MET C C 13 174.461 0.000 . . . . . . 593 MET C . 18338 1 902 . 1 1 85 85 MET CA C 13 53.292 0.068 . . . . . . 593 MET CA . 18338 1 903 . 1 1 85 85 MET CB C 13 38.622 0.023 . . . . . . 593 MET CB . 18338 1 904 . 1 1 85 85 MET CG C 13 30.860 0.033 . . . . . . 593 MET CG . 18338 1 905 . 1 1 85 85 MET CE C 13 16.949 0.001 . . . . . . 593 MET CE . 18338 1 906 . 1 1 85 85 MET N N 15 127.210 0.037 . . . . . . 593 MET N . 18338 1 907 . 1 1 86 86 ILE H H 1 8.537 0.005 . . . . . . 594 ILE H . 18338 1 908 . 1 1 86 86 ILE HA H 1 4.800 0.006 . . . . . . 594 ILE HA . 18338 1 909 . 1 1 86 86 ILE HB H 1 1.731 0.003 . . . . . . 594 ILE HB . 18338 1 910 . 1 1 86 86 ILE HG12 H 1 1.250 0.003 . . . . . . 594 ILE HG12 . 18338 1 911 . 1 1 86 86 ILE HG13 H 1 0.897 0.006 . . . . . . 594 ILE HG13 . 18338 1 912 . 1 1 86 86 ILE HG21 H 1 0.337 0.005 . . . . . . 594 ILE HG2 . 18338 1 913 . 1 1 86 86 ILE HG22 H 1 0.337 0.005 . . . . . . 594 ILE HG2 . 18338 1 914 . 1 1 86 86 ILE HG23 H 1 0.337 0.005 . . . . . . 594 ILE HG2 . 18338 1 915 . 1 1 86 86 ILE HD11 H 1 0.611 0.006 . . . . . . 594 ILE HD1 . 18338 1 916 . 1 1 86 86 ILE HD12 H 1 0.611 0.006 . . . . . . 594 ILE HD1 . 18338 1 917 . 1 1 86 86 ILE HD13 H 1 0.611 0.006 . . . . . . 594 ILE HD1 . 18338 1 918 . 1 1 86 86 ILE C C 13 175.623 0.000 . . . . . . 594 ILE C . 18338 1 919 . 1 1 86 86 ILE CA C 13 59.556 0.094 . . . . . . 594 ILE CA . 18338 1 920 . 1 1 86 86 ILE CB C 13 37.902 0.023 . . . . . . 594 ILE CB . 18338 1 921 . 1 1 86 86 ILE CG1 C 13 27.315 0.037 . . . . . . 594 ILE CG1 . 18338 1 922 . 1 1 86 86 ILE CG2 C 13 19.136 0.016 . . . . . . 594 ILE CG2 . 18338 1 923 . 1 1 86 86 ILE CD1 C 13 13.869 0.014 . . . . . . 594 ILE CD1 . 18338 1 924 . 1 1 86 86 ILE N N 15 123.924 0.049 . . . . . . 594 ILE N . 18338 1 925 . 1 1 87 87 LYS H H 1 9.691 0.009 . . . . . . 595 LYS H . 18338 1 926 . 1 1 87 87 LYS HA H 1 5.605 0.009 . . . . . . 595 LYS HA . 18338 1 927 . 1 1 87 87 LYS HB2 H 1 2.361 0.005 . . . . . . 595 LYS HB2 . 18338 1 928 . 1 1 87 87 LYS HB3 H 1 1.477 0.005 . . . . . . 595 LYS HB3 . 18338 1 929 . 1 1 87 87 LYS HG2 H 1 1.466 0.006 . . . . . . 595 LYS HG2 . 18338 1 930 . 1 1 87 87 LYS HG3 H 1 1.198 0.003 . . . . . . 595 LYS HG3 . 18338 1 931 . 1 1 87 87 LYS HD2 H 1 1.776 0.006 . . . . . . 595 LYS HD2 . 18338 1 932 . 1 1 87 87 LYS HD3 H 1 1.516 0.007 . . . . . . 595 LYS HD3 . 18338 1 933 . 1 1 87 87 LYS HE2 H 1 2.875 0.004 . . . . . . 595 LYS HE . 18338 1 934 . 1 1 87 87 LYS HE3 H 1 2.875 0.004 . . . . . . 595 LYS HE . 18338 1 935 . 1 1 87 87 LYS C C 13 177.237 0.000 . . . . . . 595 LYS C . 18338 1 936 . 1 1 87 87 LYS CA C 13 52.354 0.050 . . . . . . 595 LYS CA . 18338 1 937 . 1 1 87 87 LYS CB C 13 38.095 0.059 . . . . . . 595 LYS CB . 18338 1 938 . 1 1 87 87 LYS CG C 13 25.058 0.011 . . . . . . 595 LYS CG . 18338 1 939 . 1 1 87 87 LYS CD C 13 29.676 0.039 . . . . . . 595 LYS CD . 18338 1 940 . 1 1 87 87 LYS CE C 13 42.760 0.015 . . . . . . 595 LYS CE . 18338 1 941 . 1 1 87 87 LYS N N 15 132.656 0.050 . . . . . . 595 LYS N . 18338 1 942 . 1 1 88 88 GLY H H 1 9.233 0.008 . . . . . . 596 GLY H . 18338 1 943 . 1 1 88 88 GLY HA2 H 1 4.698 0.005 . . . . . . 596 GLY HA2 . 18338 1 944 . 1 1 88 88 GLY HA3 H 1 3.632 0.007 . . . . . . 596 GLY HA3 . 18338 1 945 . 1 1 88 88 GLY C C 13 174.578 0.000 . . . . . . 596 GLY C . 18338 1 946 . 1 1 88 88 GLY CA C 13 47.317 0.014 . . . . . . 596 GLY CA . 18338 1 947 . 1 1 88 88 GLY N N 15 112.589 0.062 . . . . . . 596 GLY N . 18338 1 948 . 1 1 89 89 TYR H H 1 8.480 0.019 . . . . . . 597 TYR H . 18338 1 949 . 1 1 89 89 TYR HA H 1 3.997 0.007 . . . . . . 597 TYR HA . 18338 1 950 . 1 1 89 89 TYR HB2 H 1 2.799 0.005 . . . . . . 597 TYR HB2 . 18338 1 951 . 1 1 89 89 TYR HB3 H 1 2.754 0.006 . . . . . . 597 TYR HB3 . 18338 1 952 . 1 1 89 89 TYR HD1 H 1 6.873 0.000 . . . . . . 597 TYR HD . 18338 1 953 . 1 1 89 89 TYR HD2 H 1 6.873 0.000 . . . . . . 597 TYR HD . 18338 1 954 . 1 1 89 89 TYR HE1 H 1 6.688 0.004 . . . . . . 597 TYR HE . 18338 1 955 . 1 1 89 89 TYR HE2 H 1 6.688 0.004 . . . . . . 597 TYR HE . 18338 1 956 . 1 1 89 89 TYR C C 13 177.975 0.000 . . . . . . 597 TYR C . 18338 1 957 . 1 1 89 89 TYR CA C 13 62.853 0.057 . . . . . . 597 TYR CA . 18338 1 958 . 1 1 89 89 TYR CB C 13 36.946 0.021 . . . . . . 597 TYR CB . 18338 1 959 . 1 1 89 89 TYR N N 15 136.992 0.056 . . . . . . 597 TYR N . 18338 1 960 . 1 1 90 90 SER H H 1 8.594 0.003 . . . . . . 598 SER H . 18338 1 961 . 1 1 90 90 SER HA H 1 4.221 0.006 . . . . . . 598 SER HA . 18338 1 962 . 1 1 90 90 SER HB2 H 1 4.027 0.005 . . . . . . 598 SER HB2 . 18338 1 963 . 1 1 90 90 SER HB3 H 1 3.877 0.008 . . . . . . 598 SER HB3 . 18338 1 964 . 1 1 90 90 SER C C 13 174.201 0.000 . . . . . . 598 SER C . 18338 1 965 . 1 1 90 90 SER CA C 13 55.899 0.039 . . . . . . 598 SER CA . 18338 1 966 . 1 1 90 90 SER CB C 13 65.969 0.027 . . . . . . 598 SER CB . 18338 1 967 . 1 1 90 90 SER N N 15 113.347 0.060 . . . . . . 598 SER N . 18338 1 968 . 1 1 91 91 ASN H H 1 8.203 0.014 . . . . . . 599 ASN H . 18338 1 969 . 1 1 91 91 ASN HA H 1 4.757 0.004 . . . . . . 599 ASN HA . 18338 1 970 . 1 1 91 91 ASN HB2 H 1 2.920 0.003 . . . . . . 599 ASN HB2 . 18338 1 971 . 1 1 91 91 ASN HB3 H 1 2.761 0.004 . . . . . . 599 ASN HB3 . 18338 1 972 . 1 1 91 91 ASN HD21 H 1 7.441 0.003 . . . . . . 599 ASN HD21 . 18338 1 973 . 1 1 91 91 ASN HD22 H 1 6.845 0.003 . . . . . . 599 ASN HD22 . 18338 1 974 . 1 1 91 91 ASN C C 13 175.619 0.000 . . . . . . 599 ASN C . 18338 1 975 . 1 1 91 91 ASN CA C 13 54.434 0.050 . . . . . . 599 ASN CA . 18338 1 976 . 1 1 91 91 ASN CB C 13 38.275 0.063 . . . . . . 599 ASN CB . 18338 1 977 . 1 1 91 91 ASN N N 15 115.666 0.058 . . . . . . 599 ASN N . 18338 1 978 . 1 1 91 91 ASN ND2 N 15 111.691 0.018 . . . . . . 599 ASN ND2 . 18338 1 979 . 1 1 92 92 TYR H H 1 8.711 0.004 . . . . . . 600 TYR H . 18338 1 980 . 1 1 92 92 TYR HA H 1 5.420 0.008 . . . . . . 600 TYR HA . 18338 1 981 . 1 1 92 92 TYR HB2 H 1 2.947 0.007 . . . . . . 600 TYR HB2 . 18338 1 982 . 1 1 92 92 TYR HB3 H 1 2.780 0.005 . . . . . . 600 TYR HB3 . 18338 1 983 . 1 1 92 92 TYR HE1 H 1 6.686 0.000 . . . . . . 600 TYR HE . 18338 1 984 . 1 1 92 92 TYR HE2 H 1 6.686 0.000 . . . . . . 600 TYR HE . 18338 1 985 . 1 1 92 92 TYR C C 13 174.869 0.000 . . . . . . 600 TYR C . 18338 1 986 . 1 1 92 92 TYR CA C 13 57.171 0.138 . . . . . . 600 TYR CA . 18338 1 987 . 1 1 92 92 TYR CB C 13 41.523 0.054 . . . . . . 600 TYR CB . 18338 1 988 . 1 1 92 92 TYR N N 15 116.961 0.124 . . . . . . 600 TYR N . 18338 1 989 . 1 1 93 93 SER H H 1 8.433 0.003 . . . . . . 601 SER H . 18338 1 990 . 1 1 93 93 SER HA H 1 4.975 0.007 . . . . . . 601 SER HA . 18338 1 991 . 1 1 93 93 SER HB2 H 1 3.711 0.004 . . . . . . 601 SER HB2 . 18338 1 992 . 1 1 93 93 SER HB3 H 1 3.666 0.004 . . . . . . 601 SER HB3 . 18338 1 993 . 1 1 93 93 SER C C 13 173.757 0.000 . . . . . . 601 SER C . 18338 1 994 . 1 1 93 93 SER CA C 13 57.554 0.048 . . . . . . 601 SER CA . 18338 1 995 . 1 1 93 93 SER CB C 13 65.131 0.036 . . . . . . 601 SER CB . 18338 1 996 . 1 1 93 93 SER N N 15 114.378 0.040 . . . . . . 601 SER N . 18338 1 997 . 1 1 94 94 GLY H H 1 7.982 0.002 . . . . . . 602 GLY H . 18338 1 998 . 1 1 94 94 GLY HA2 H 1 4.044 0.006 . . . . . . 602 GLY HA2 . 18338 1 999 . 1 1 94 94 GLY HA3 H 1 3.887 0.004 . . . . . . 602 GLY HA3 . 18338 1 1000 . 1 1 94 94 GLY C C 13 174.680 0.000 . . . . . . 602 GLY C . 18338 1 1001 . 1 1 94 94 GLY CA C 13 47.104 0.034 . . . . . . 602 GLY CA . 18338 1 1002 . 1 1 94 94 GLY N N 15 109.923 0.045 . . . . . . 602 GLY N . 18338 1 1003 . 1 1 95 95 VAL H H 1 8.335 0.004 . . . . . . 603 VAL H . 18338 1 1004 . 1 1 95 95 VAL HA H 1 3.898 0.005 . . . . . . 603 VAL HA . 18338 1 1005 . 1 1 95 95 VAL HB H 1 1.899 0.004 . . . . . . 603 VAL HB . 18338 1 1006 . 1 1 95 95 VAL HG11 H 1 0.875 0.004 . . . . . . 603 VAL HG1 . 18338 1 1007 . 1 1 95 95 VAL HG12 H 1 0.875 0.004 . . . . . . 603 VAL HG1 . 18338 1 1008 . 1 1 95 95 VAL HG13 H 1 0.875 0.004 . . . . . . 603 VAL HG1 . 18338 1 1009 . 1 1 95 95 VAL HG21 H 1 0.654 0.006 . . . . . . 603 VAL HG2 . 18338 1 1010 . 1 1 95 95 VAL HG22 H 1 0.654 0.006 . . . . . . 603 VAL HG2 . 18338 1 1011 . 1 1 95 95 VAL HG23 H 1 0.654 0.006 . . . . . . 603 VAL HG2 . 18338 1 1012 . 1 1 95 95 VAL C C 13 175.199 0.000 . . . . . . 603 VAL C . 18338 1 1013 . 1 1 95 95 VAL CA C 13 63.310 0.058 . . . . . . 603 VAL CA . 18338 1 1014 . 1 1 95 95 VAL CB C 13 33.411 0.091 . . . . . . 603 VAL CB . 18338 1 1015 . 1 1 95 95 VAL CG1 C 13 24.996 0.029 . . . . . . 603 VAL CG1 . 18338 1 1016 . 1 1 95 95 VAL CG2 C 13 22.080 0.047 . . . . . . 603 VAL CG2 . 18338 1 1017 . 1 1 95 95 VAL N N 15 123.683 0.035 . . . . . . 603 VAL N . 18338 1 1018 . 1 1 96 96 THR H H 1 8.721 0.008 . . . . . . 604 THR H . 18338 1 1019 . 1 1 96 96 THR HA H 1 5.251 0.006 . . . . . . 604 THR HA . 18338 1 1020 . 1 1 96 96 THR HB H 1 3.798 0.006 . . . . . . 604 THR HB . 18338 1 1021 . 1 1 96 96 THR HG21 H 1 0.915 0.004 . . . . . . 604 THR HG2 . 18338 1 1022 . 1 1 96 96 THR HG22 H 1 0.915 0.004 . . . . . . 604 THR HG2 . 18338 1 1023 . 1 1 96 96 THR HG23 H 1 0.915 0.004 . . . . . . 604 THR HG2 . 18338 1 1024 . 1 1 96 96 THR C C 13 173.179 0.000 . . . . . . 604 THR C . 18338 1 1025 . 1 1 96 96 THR CA C 13 61.752 0.093 . . . . . . 604 THR CA . 18338 1 1026 . 1 1 96 96 THR CB C 13 70.357 0.068 . . . . . . 604 THR CB . 18338 1 1027 . 1 1 96 96 THR CG2 C 13 21.851 0.027 . . . . . . 604 THR CG2 . 18338 1 1028 . 1 1 96 96 THR N N 15 121.688 0.038 . . . . . . 604 THR N . 18338 1 1029 . 1 1 97 97 LEU H H 1 9.098 0.003 . . . . . . 605 LEU H . 18338 1 1030 . 1 1 97 97 LEU HA H 1 5.294 0.007 . . . . . . 605 LEU HA . 18338 1 1031 . 1 1 97 97 LEU HB2 H 1 1.510 0.006 . . . . . . 605 LEU HB2 . 18338 1 1032 . 1 1 97 97 LEU HB3 H 1 0.914 0.004 . . . . . . 605 LEU HB3 . 18338 1 1033 . 1 1 97 97 LEU HG H 1 1.027 0.004 . . . . . . 605 LEU HG . 18338 1 1034 . 1 1 97 97 LEU HD11 H 1 -0.101 0.004 . . . . . . 605 LEU HD1 . 18338 1 1035 . 1 1 97 97 LEU HD12 H 1 -0.101 0.004 . . . . . . 605 LEU HD1 . 18338 1 1036 . 1 1 97 97 LEU HD13 H 1 -0.101 0.004 . . . . . . 605 LEU HD1 . 18338 1 1037 . 1 1 97 97 LEU HD21 H 1 0.483 0.003 . . . . . . 605 LEU HD2 . 18338 1 1038 . 1 1 97 97 LEU HD22 H 1 0.483 0.003 . . . . . . 605 LEU HD2 . 18338 1 1039 . 1 1 97 97 LEU HD23 H 1 0.483 0.003 . . . . . . 605 LEU HD2 . 18338 1 1040 . 1 1 97 97 LEU C C 13 173.887 0.000 . . . . . . 605 LEU C . 18338 1 1041 . 1 1 97 97 LEU CA C 13 53.097 0.077 . . . . . . 605 LEU CA . 18338 1 1042 . 1 1 97 97 LEU CB C 13 46.071 0.117 . . . . . . 605 LEU CB . 18338 1 1043 . 1 1 97 97 LEU CG C 13 27.330 0.043 . . . . . . 605 LEU CG . 18338 1 1044 . 1 1 97 97 LEU CD1 C 13 26.826 0.041 . . . . . . 605 LEU CD1 . 18338 1 1045 . 1 1 97 97 LEU CD2 C 13 23.044 0.015 . . . . . . 605 LEU CD2 . 18338 1 1046 . 1 1 97 97 LEU N N 15 132.260 0.075 . . . . . . 605 LEU N . 18338 1 1047 . 1 1 98 98 LYS H H 1 8.956 0.004 . . . . . . 606 LYS H . 18338 1 1048 . 1 1 98 98 LYS HA H 1 4.421 0.009 . . . . . . 606 LYS HA . 18338 1 1049 . 1 1 98 98 LYS HB2 H 1 1.532 0.008 . . . . . . 606 LYS HB2 . 18338 1 1050 . 1 1 98 98 LYS HB3 H 1 1.341 0.005 . . . . . . 606 LYS HB3 . 18338 1 1051 . 1 1 98 98 LYS HG2 H 1 1.139 0.005 . . . . . . 606 LYS HG2 . 18338 1 1052 . 1 1 98 98 LYS HG3 H 1 1.082 0.004 . . . . . . 606 LYS HG3 . 18338 1 1053 . 1 1 98 98 LYS HD2 H 1 1.431 0.004 . . . . . . 606 LYS HD2 . 18338 1 1054 . 1 1 98 98 LYS HD3 H 1 1.367 0.005 . . . . . . 606 LYS HD3 . 18338 1 1055 . 1 1 98 98 LYS HE2 H 1 2.639 0.004 . . . . . . 606 LYS HE2 . 18338 1 1056 . 1 1 98 98 LYS HE3 H 1 2.609 0.003 . . . . . . 606 LYS HE3 . 18338 1 1057 . 1 1 98 98 LYS C C 13 172.082 0.000 . . . . . . 606 LYS C . 18338 1 1058 . 1 1 98 98 LYS CA C 13 55.849 0.039 . . . . . . 606 LYS CA . 18338 1 1059 . 1 1 98 98 LYS CB C 13 37.549 0.058 . . . . . . 606 LYS CB . 18338 1 1060 . 1 1 98 98 LYS CG C 13 25.229 0.005 . . . . . . 606 LYS CG . 18338 1 1061 . 1 1 98 98 LYS CD C 13 29.651 0.001 . . . . . . 606 LYS CD . 18338 1 1062 . 1 1 98 98 LYS CE C 13 41.681 0.016 . . . . . . 606 LYS CE . 18338 1 1063 . 1 1 98 98 LYS N N 15 124.548 0.047 . . . . . . 606 LYS N . 18338 1 1064 . 1 1 99 99 LEU H H 1 8.796 0.003 . . . . . . 607 LEU H . 18338 1 1065 . 1 1 99 99 LEU HA H 1 4.821 0.008 . . . . . . 607 LEU HA . 18338 1 1066 . 1 1 99 99 LEU HB2 H 1 1.431 0.005 . . . . . . 607 LEU HB2 . 18338 1 1067 . 1 1 99 99 LEU HB3 H 1 0.700 0.005 . . . . . . 607 LEU HB3 . 18338 1 1068 . 1 1 99 99 LEU HG H 1 1.143 0.008 . . . . . . 607 LEU HG . 18338 1 1069 . 1 1 99 99 LEU HD11 H 1 0.353 0.005 . . . . . . 607 LEU HD1 . 18338 1 1070 . 1 1 99 99 LEU HD12 H 1 0.353 0.005 . . . . . . 607 LEU HD1 . 18338 1 1071 . 1 1 99 99 LEU HD13 H 1 0.353 0.005 . . . . . . 607 LEU HD1 . 18338 1 1072 . 1 1 99 99 LEU HD21 H 1 -0.259 0.004 . . . . . . 607 LEU HD2 . 18338 1 1073 . 1 1 99 99 LEU HD22 H 1 -0.259 0.004 . . . . . . 607 LEU HD2 . 18338 1 1074 . 1 1 99 99 LEU HD23 H 1 -0.259 0.004 . . . . . . 607 LEU HD2 . 18338 1 1075 . 1 1 99 99 LEU C C 13 174.817 0.000 . . . . . . 607 LEU C . 18338 1 1076 . 1 1 99 99 LEU CA C 13 52.980 0.039 . . . . . . 607 LEU CA . 18338 1 1077 . 1 1 99 99 LEU CB C 13 45.239 0.023 . . . . . . 607 LEU CB . 18338 1 1078 . 1 1 99 99 LEU CG C 13 27.728 0.027 . . . . . . 607 LEU CG . 18338 1 1079 . 1 1 99 99 LEU CD1 C 13 26.997 0.014 . . . . . . 607 LEU CD1 . 18338 1 1080 . 1 1 99 99 LEU CD2 C 13 22.451 0.024 . . . . . . 607 LEU CD2 . 18338 1 1081 . 1 1 99 99 LEU N N 15 126.439 0.064 . . . . . . 607 LEU N . 18338 1 1082 . 1 1 100 100 GLN H H 1 8.749 0.006 . . . . . . 608 GLN H . 18338 1 1083 . 1 1 100 100 GLN HA H 1 5.066 0.005 . . . . . . 608 GLN HA . 18338 1 1084 . 1 1 100 100 GLN HB2 H 1 1.896 0.004 . . . . . . 608 GLN HB2 . 18338 1 1085 . 1 1 100 100 GLN HB3 H 1 1.767 0.006 . . . . . . 608 GLN HB3 . 18338 1 1086 . 1 1 100 100 GLN HG2 H 1 2.249 0.003 . . . . . . 608 GLN HG2 . 18338 1 1087 . 1 1 100 100 GLN HG3 H 1 2.140 0.002 . . . . . . 608 GLN HG3 . 18338 1 1088 . 1 1 100 100 GLN C C 13 174.330 0.000 . . . . . . 608 GLN C . 18338 1 1089 . 1 1 100 100 GLN CA C 13 55.117 0.046 . . . . . . 608 GLN CA . 18338 1 1090 . 1 1 100 100 GLN CB C 13 33.511 0.040 . . . . . . 608 GLN CB . 18338 1 1091 . 1 1 100 100 GLN CG C 13 34.592 0.006 . . . . . . 608 GLN CG . 18338 1 1092 . 1 1 100 100 GLN N N 15 124.903 0.036 . . . . . . 608 GLN N . 18338 1 1093 . 1 1 101 101 TYR H H 1 8.778 0.004 . . . . . . 609 TYR H . 18338 1 1094 . 1 1 101 101 TYR HA H 1 4.637 0.007 . . . . . . 609 TYR HA . 18338 1 1095 . 1 1 101 101 TYR HB2 H 1 2.874 0.003 . . . . . . 609 TYR HB2 . 18338 1 1096 . 1 1 101 101 TYR HB3 H 1 2.618 0.005 . . . . . . 609 TYR HB3 . 18338 1 1097 . 1 1 101 101 TYR HE1 H 1 6.567 0.006 . . . . . . 609 TYR HE . 18338 1 1098 . 1 1 101 101 TYR HE2 H 1 6.567 0.006 . . . . . . 609 TYR HE . 18338 1 1099 . 1 1 101 101 TYR CA C 13 59.018 0.069 . . . . . . 609 TYR CA . 18338 1 1100 . 1 1 101 101 TYR CB C 13 40.713 0.069 . . . . . . 609 TYR CB . 18338 1 1101 . 1 1 101 101 TYR N N 15 129.402 0.069 . . . . . . 609 TYR N . 18338 1 stop_ save_