data_7421 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7421 _Entry.Title ; STRUCTURE OF CCP MODULE 7 OF COMPLEMENT FACTOR H- THE AMD NOT AT RISK VARIENT (402Y) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-06 _Entry.Accession_date 2008-03-06 _Entry.Last_release_date 2008-08-08 _Entry.Original_release_date 2008-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 A. Herbert A. P. . 7421 2 J. Deakin J. A. . 7421 3 C. Schmidt C. Q. . 7421 4 B. Blaum B. S. . 7421 5 C. Egan C. . . 7421 6 V. Ferreira V. . . 7421 7 M. Pangburn M. K. . 7421 8 M. Lyon M. . . 7421 9 D. Uhrin D. . . 7421 10 P. Barlow P. N. . 7421 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AGE RELATED MACULAR DEGENERATION' . 7421 COMPLEMENT . 7421 'FACTOR H' . 7421 GLYCOSAMINOGLYCAN . 7421 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7421 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 7421 '15N chemical shifts' 68 7421 '1H chemical shifts' 444 7421 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-08 2008-03-06 original author . 7421 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7420 'COMPLEMENT FACTOR H' 7421 PDB 2JGX 'BMRB Entry Tracking System' 7421 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7421 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17360715 _Citation.Full_citation . _Citation.Title 'Structure Shows Glycosaminoglycan- and Protein-Recognition Site in Factor H is Perturbed by Age-Related Macular Degeneration-Linked single nucleotide polymorphism' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 282 _Citation.Journal_issue 26 _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 18960 _Citation.Page_last 18968 _Citation.Year 2007 _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 A. Herbert A. P. . 7421 1 2 J. Deakin J. A. . 7421 1 3 C. Schmidt C. Q. . 7421 1 4 B. Blaum B. S. . 7421 1 5 C. Egan C. . . 7421 1 6 V. Ferreira V. . . 7421 1 7 M. Pangburn M. K. . 7421 1 8 M. Lyon M. . . 7421 1 9 D. Uhrin D. . . 7421 1 10 P. Barlow P. N. . 7421 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7421 _Assembly.ID 1 _Assembly.Name 'COMPLEMENT FACTOR H' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'COMPLEMENT FACTOR H' 1 $COMPLEMENT_FACTOR_H A . yes native no no . . . 7421 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_COMPLEMENT_FACTOR_H _Entity.Sf_category entity _Entity.Sf_framecode COMPLEMENT_FACTOR_H _Entity.Entry_ID 7421 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name COMPLEMENT_FACTOR_H _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EAAGLRKCYFPYLENGYNQN YGRKFVQGKSIDVACHPGYA LPKAQTTVTCMENGWSPTPR CIRVK ; _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 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'CCP MODULE 7, RESIDUES 386-446' _Entity.Mutation 'YES [H402Y]' _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 7420 . COMPLEMENT_FACTOR_H . . . . . 100.00 65 98.46 100.00 2.96e-40 . . . . 7421 1 2 no PDB 2IC4 . "Solution Structure Of The His402 Allotype Of The Factor H Scr6-Scr7-Scr8 Fragment" . . . . . 93.85 187 100.00 100.00 1.33e-36 . . . . 7421 1 3 no PDB 2JGW . "Structure Of Ccp Module 7 Of Complement Factor H - The Amd At Risk Varient (402h)" . . . . . 92.31 61 98.33 100.00 1.44e-36 . . . . 7421 1 4 no PDB 2JGX . "Structure Of Ccp Module 7 Of Complement Factor H - The Amd Not At Risk Varient (402y)" . . . . . 92.31 61 100.00 100.00 4.17e-37 . . . . 7421 1 5 no PDB 2UWN . "Crystal Structure Of Human Complement Factor H, Scr Domains 6-8 (h402 Risk Variant), In Complex With Ligand" . . . . . 93.85 187 98.36 100.00 5.98e-36 . . . . 7421 1 6 no PDB 2W80 . "Structure Of A Complex Between Neisseria Meningitidis Factor H Binding Protein And Ccps 6-7 Of Human Complement Factor H" . . . . . 89.23 123 98.28 100.00 5.29e-34 . . . . 7421 1 7 no PDB 2W81 . "Structure Of A Complex Between Neisseria Meningitidis Factor H Binding Protein And Ccps 6-7 Of Human Complement Factor H" . . . . . 89.23 123 98.28 100.00 5.29e-34 . . . . 7421 1 8 no PDB 4AYD . "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 1 R106a Mutant" . . . . . 89.23 125 98.28 100.00 5.24e-34 . . . . 7421 1 9 no PDB 4AYE . "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 1 E283ae304a M" . . . . . 89.23 125 98.28 100.00 5.24e-34 . . . . 7421 1 10 no PDB 4AYI . "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 3 Wild Type" . . . . . 89.23 125 98.28 100.00 5.24e-34 . . . . 7421 1 11 no PDB 4AYM . "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 3 P106a Mutant" . . . . . 89.23 125 98.28 100.00 5.24e-34 . . . . 7421 1 12 no EMBL CAA30403 . "complement factor H [Homo sapiens]" . . . . . 92.31 449 100.00 100.00 1.14e-33 . . . . 7421 1 13 no EMBL CAB41739 . "unnamed protein product [Homo sapiens]" . . . . . 92.31 397 100.00 100.00 8.38e-34 . . . . 7421 1 14 no GB AAA52013 . "complement protein H, partial [Homo sapiens]" . . . . . 92.31 224 100.00 100.00 6.61e-35 . . . . 7421 1 15 no GB AAH37285 . "Complement factor H [Homo sapiens]" . . . . . 92.31 449 100.00 100.00 1.14e-33 . . . . 7421 1 16 no GB AAI10644 . "Complement factor H [Homo sapiens]" . . . . . 92.31 449 100.00 100.00 1.14e-33 . . . . 7421 1 17 no GB ADZ15369 . "complement factor H [synthetic construct]" . . . . . 92.31 449 100.00 100.00 1.14e-33 . . . . 7421 1 18 no GB AHH32464 . "complement factor H, partial [Homo sapiens]" . . . . . 89.23 58 100.00 100.00 1.28e-35 . . . . 7421 1 19 no REF NP_001014975 . "complement factor H isoform b precursor [Homo sapiens]" . . . . . 92.31 449 98.33 100.00 4.15e-33 . . . . 7421 1 20 no REF XP_004028137 . "PREDICTED: complement factor H-like [Gorilla gorilla gorilla]" . . . . . 92.31 396 100.00 100.00 7.96e-34 . . . . 7421 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 1 382 GLU . 7421 1 2 383 ALA . 7421 1 3 384 ALA . 7421 1 4 385 GLY . 7421 1 5 386 LEU . 7421 1 6 387 ARG . 7421 1 7 388 LYS . 7421 1 8 389 CYS . 7421 1 9 390 TYR . 7421 1 10 391 PHE . 7421 1 11 392 PRO . 7421 1 12 393 TYR . 7421 1 13 394 LEU . 7421 1 14 395 GLU . 7421 1 15 396 ASN . 7421 1 16 397 GLY . 7421 1 17 398 TYR . 7421 1 18 399 ASN . 7421 1 19 400 GLN . 7421 1 20 401 ASN . 7421 1 21 402 TYR . 7421 1 22 403 GLY . 7421 1 23 404 ARG . 7421 1 24 405 LYS . 7421 1 25 406 PHE . 7421 1 26 407 VAL . 7421 1 27 408 GLN . 7421 1 28 409 GLY . 7421 1 29 410 LYS . 7421 1 30 411 SER . 7421 1 31 412 ILE . 7421 1 32 413 ASP . 7421 1 33 414 VAL . 7421 1 34 415 ALA . 7421 1 35 416 CYS . 7421 1 36 417 HIS . 7421 1 37 418 PRO . 7421 1 38 419 GLY . 7421 1 39 420 TYR . 7421 1 40 421 ALA . 7421 1 41 422 LEU . 7421 1 42 423 PRO . 7421 1 43 424 LYS . 7421 1 44 425 ALA . 7421 1 45 426 GLN . 7421 1 46 427 THR . 7421 1 47 428 THR . 7421 1 48 429 VAL . 7421 1 49 430 THR . 7421 1 50 431 CYS . 7421 1 51 432 MET . 7421 1 52 433 GLU . 7421 1 53 434 ASN . 7421 1 54 435 GLY . 7421 1 55 436 TRP . 7421 1 56 437 SER . 7421 1 57 438 PRO . 7421 1 58 439 THR . 7421 1 59 440 PRO . 7421 1 60 441 ARG . 7421 1 61 442 CYS . 7421 1 62 443 ILE . 7421 1 63 444 ARG . 7421 1 64 445 VAL . 7421 1 65 446 LYS . 7421 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 . GLU 1 1 7421 1 . ALA 2 2 7421 1 . ALA 3 3 7421 1 . GLY 4 4 7421 1 . LEU 5 5 7421 1 . ARG 6 6 7421 1 . LYS 7 7 7421 1 . CYS 8 8 7421 1 . TYR 9 9 7421 1 . PHE 10 10 7421 1 . PRO 11 11 7421 1 . TYR 12 12 7421 1 . LEU 13 13 7421 1 . GLU 14 14 7421 1 . ASN 15 15 7421 1 . GLY 16 16 7421 1 . TYR 17 17 7421 1 . ASN 18 18 7421 1 . GLN 19 19 7421 1 . ASN 20 20 7421 1 . TYR 21 21 7421 1 . GLY 22 22 7421 1 . ARG 23 23 7421 1 . LYS 24 24 7421 1 . PHE 25 25 7421 1 . VAL 26 26 7421 1 . GLN 27 27 7421 1 . GLY 28 28 7421 1 . LYS 29 29 7421 1 . SER 30 30 7421 1 . ILE 31 31 7421 1 . ASP 32 32 7421 1 . VAL 33 33 7421 1 . ALA 34 34 7421 1 . CYS 35 35 7421 1 . HIS 36 36 7421 1 . PRO 37 37 7421 1 . GLY 38 38 7421 1 . TYR 39 39 7421 1 . ALA 40 40 7421 1 . LEU 41 41 7421 1 . PRO 42 42 7421 1 . LYS 43 43 7421 1 . ALA 44 44 7421 1 . GLN 45 45 7421 1 . THR 46 46 7421 1 . THR 47 47 7421 1 . VAL 48 48 7421 1 . THR 49 49 7421 1 . CYS 50 50 7421 1 . MET 51 51 7421 1 . GLU 52 52 7421 1 . ASN 53 53 7421 1 . GLY 54 54 7421 1 . TRP 55 55 7421 1 . SER 56 56 7421 1 . PRO 57 57 7421 1 . THR 58 58 7421 1 . PRO 59 59 7421 1 . ARG 60 60 7421 1 . CYS 61 61 7421 1 . ILE 62 62 7421 1 . ARG 63 63 7421 1 . VAL 64 64 7421 1 . LYS 65 65 7421 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 7421 _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 $COMPLEMENT_FACTOR_H . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7421 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 7421 _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 $COMPLEMENT_FACTOR_H . 'recombinant technology' 'PICHIA PASTORIS' . . . PICHIA PASTORIS KM71H . . . . . . . . . . . . . . . PPICZALPHAB . . . . . . 7421 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 7421 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% WATER/90% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'COMPLEMENT FACTOR H' 'natural abundance' . . 1 $COMPLEMENT_FACTOR_H . . . . . mM . . . . 7421 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 7421 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 7421 1 pH 5.2 . pH 7421 1 pressure 1.0 . atm 7421 1 temperature 298.0 . K 7421 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7421 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN' . . 7421 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7421 1 stop_ save_ save_CCPNMR_ANALYSIS _Software.Sf_category software _Software.Sf_framecode CCPNMR_ANALYSIS _Software.Entry_ID 7421 _Software.ID 2 _Software.Name ANALYSIS _Software.Version ANALYSIS _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7421 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7421 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model OTHER _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 7421 _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 OTHER . 600 . . . 7421 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 7421 _Experiment_list.ID 1 _Experiment_list.Details 'THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED FACTOR H CCP MODULE 7 (402Y)' 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 CBCANH no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 2 'H_CCONH TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 3 HNCO no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 4 '15N EDITED TOCSY HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 5 '13C EDITED NOESY HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 6 '15N EDITED NOESY HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 7 'HCCH TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 8 HBCBCGCDCEHE no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 9 HBCBCGCDHD no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 1 10 'C_CCONH TOCSY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7421 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 7421 _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 . . . . . . ppm . . . . . . . . . . . . . 7421 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 7421 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 7421 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7421 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 CBCANH . . . 7421 1 2 'H_CCONH TOCSY' . . . 7421 1 3 HNCO . . . 7421 1 4 '15N EDITED TOCSY HSQC' . . . 7421 1 5 '13C EDITED NOESY HSQC' . . . 7421 1 6 '15N EDITED NOESY HSQC' . . . 7421 1 7 'HCCH TOCSY' . . . 7421 1 8 HBCBCGCDCEHE . . . 7421 1 9 HBCBCGCDHD . . . 7421 1 10 'C_CCONH TOCSY' . . . 7421 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU HA H 1 4.010 0.004 . 1 . . . . 382 GLU HA . 7421 1 2 . 1 1 1 1 GLU HB2 H 1 2.080 0.000 . 1 . . . . 382 GLU HB2 . 7421 1 3 . 1 1 1 1 GLU HB3 H 1 2.080 0.000 . 1 . . . . 382 GLU HB3 . 7421 1 4 . 1 1 1 1 GLU HG2 H 1 2.343 0.001 . 1 . . . . 382 GLU HG2 . 7421 1 5 . 1 1 1 1 GLU HG3 H 1 2.343 0.001 . 1 . . . . 382 GLU HG3 . 7421 1 6 . 1 1 1 1 GLU C C 13 172.379 0.002 . 1 . . . . 382 GLU C . 7421 1 7 . 1 1 1 1 GLU CA C 13 55.479 0.021 . 1 . . . . 382 GLU CA . 7421 1 8 . 1 1 1 1 GLU CB C 13 30.327 0.059 . 1 . . . . 382 GLU CB . 7421 1 9 . 1 1 1 1 GLU CG C 13 35.541 0.015 . 1 . . . . 382 GLU CG . 7421 1 10 . 1 1 2 2 ALA H H 1 8.755 0.003 . 1 . . . . 383 ALA H . 7421 1 11 . 1 1 2 2 ALA HA H 1 4.313 0.005 . 1 . . . . 383 ALA HA . 7421 1 12 . 1 1 2 2 ALA HB1 H 1 1.384 0.002 . 1 . . . . 383 ALA HB . 7421 1 13 . 1 1 2 2 ALA HB2 H 1 1.384 0.002 . 1 . . . . 383 ALA HB . 7421 1 14 . 1 1 2 2 ALA HB3 H 1 1.384 0.002 . 1 . . . . 383 ALA HB . 7421 1 15 . 1 1 2 2 ALA C C 13 177.240 0.000 . 1 . . . . 383 ALA C . 7421 1 16 . 1 1 2 2 ALA CA C 13 52.516 0.026 . 1 . . . . 383 ALA CA . 7421 1 17 . 1 1 2 2 ALA CB C 13 19.065 0.037 . 1 . . . . 383 ALA CB . 7421 1 18 . 1 1 2 2 ALA N N 15 126.639 0.031 . 1 . . . . 383 ALA N . 7421 1 19 . 1 1 3 3 ALA H H 1 8.493 0.003 . 1 . . . . 384 ALA H . 7421 1 20 . 1 1 3 3 ALA HA H 1 4.235 0.004 . 1 . . . . 384 ALA HA . 7421 1 21 . 1 1 3 3 ALA HB1 H 1 1.383 0.002 . 1 . . . . 384 ALA HB . 7421 1 22 . 1 1 3 3 ALA HB2 H 1 1.383 0.002 . 1 . . . . 384 ALA HB . 7421 1 23 . 1 1 3 3 ALA HB3 H 1 1.383 0.002 . 1 . . . . 384 ALA HB . 7421 1 24 . 1 1 3 3 ALA C C 13 178.478 0.001 . 1 . . . . 384 ALA C . 7421 1 25 . 1 1 3 3 ALA CA C 13 52.963 0.062 . 1 . . . . 384 ALA CA . 7421 1 26 . 1 1 3 3 ALA CB C 13 19.126 0.052 . 1 . . . . 384 ALA CB . 7421 1 27 . 1 1 3 3 ALA N N 15 124.325 0.016 . 1 . . . . 384 ALA N . 7421 1 28 . 1 1 4 4 GLY H H 1 8.376 0.003 . 1 . . . . 385 GLY H . 7421 1 29 . 1 1 4 4 GLY HA2 H 1 3.906 0.008 . 2 . . . . 385 GLY HA2 . 7421 1 30 . 1 1 4 4 GLY HA3 H 1 3.878 0.010 . 2 . . . . 385 GLY HA3 . 7421 1 31 . 1 1 4 4 GLY C C 13 174.049 0.001 . 1 . . . . 385 GLY C . 7421 1 32 . 1 1 4 4 GLY CA C 13 45.317 0.011 . 1 . . . . 385 GLY CA . 7421 1 33 . 1 1 4 4 GLY N N 15 107.394 0.015 . 1 . . . . 385 GLY N . 7421 1 34 . 1 1 5 5 LEU H H 1 7.886 0.003 . 1 . . . . 386 LEU H . 7421 1 35 . 1 1 5 5 LEU HA H 1 4.307 0.003 . 1 . . . . 386 LEU HA . 7421 1 36 . 1 1 5 5 LEU HB2 H 1 1.506 0.022 . 2 . . . . 386 LEU HB2 . 7421 1 37 . 1 1 5 5 LEU HB3 H 1 1.611 0.008 . 2 . . . . 386 LEU HB3 . 7421 1 38 . 1 1 5 5 LEU HD11 H 1 0.899 0.008 . 2 . . . . 386 LEU HD1 . 7421 1 39 . 1 1 5 5 LEU HD12 H 1 0.899 0.008 . 2 . . . . 386 LEU HD1 . 7421 1 40 . 1 1 5 5 LEU HD13 H 1 0.899 0.008 . 2 . . . . 386 LEU HD1 . 7421 1 41 . 1 1 5 5 LEU HD21 H 1 0.825 0.013 . 2 . . . . 386 LEU HD2 . 7421 1 42 . 1 1 5 5 LEU HD22 H 1 0.825 0.013 . 2 . . . . 386 LEU HD2 . 7421 1 43 . 1 1 5 5 LEU HD23 H 1 0.825 0.013 . 2 . . . . 386 LEU HD2 . 7421 1 44 . 1 1 5 5 LEU HG H 1 1.601 0.006 . 1 . . . . 386 LEU HG . 7421 1 45 . 1 1 5 5 LEU C C 13 177.436 0.000 . 1 . . . . 386 LEU C . 7421 1 46 . 1 1 5 5 LEU CA C 13 54.851 0.030 . 1 . . . . 386 LEU CA . 7421 1 47 . 1 1 5 5 LEU CB C 13 42.696 0.032 . 1 . . . . 386 LEU CB . 7421 1 48 . 1 1 5 5 LEU CD1 C 13 25.259 0.048 . 2 . . . . 386 LEU CD1 . 7421 1 49 . 1 1 5 5 LEU CD2 C 13 23.144 0.028 . 2 . . . . 386 LEU CD2 . 7421 1 50 . 1 1 5 5 LEU CG C 13 26.880 0.014 . 1 . . . . 386 LEU CG . 7421 1 51 . 1 1 5 5 LEU N N 15 120.708 0.007 . 1 . . . . 386 LEU N . 7421 1 52 . 1 1 6 6 ARG H H 1 8.293 0.006 . 1 . . . . 387 ARG H . 7421 1 53 . 1 1 6 6 ARG HA H 1 4.196 0.006 . 1 . . . . 387 ARG HA . 7421 1 54 . 1 1 6 6 ARG HB2 H 1 1.767 0.009 . 1 . . . . 387 ARG HB2 . 7421 1 55 . 1 1 6 6 ARG HB3 H 1 1.767 0.009 . 1 . . . . 387 ARG HB3 . 7421 1 56 . 1 1 6 6 ARG HD2 H 1 3.185 0.002 . 1 . . . . 387 ARG HD2 . 7421 1 57 . 1 1 6 6 ARG HD3 H 1 3.185 0.002 . 1 . . . . 387 ARG HD3 . 7421 1 58 . 1 1 6 6 ARG HE H 1 6.990 0.004 . 1 . . . . 387 ARG HE . 7421 1 59 . 1 1 6 6 ARG HG2 H 1 1.659 0.005 . 2 . . . . 387 ARG HG2 . 7421 1 60 . 1 1 6 6 ARG HG3 H 1 1.617 0.024 . 2 . . . . 387 ARG HG3 . 7421 1 61 . 1 1 6 6 ARG C C 13 175.416 0.000 . 1 . . . . 387 ARG C . 7421 1 62 . 1 1 6 6 ARG CA C 13 56.477 0.028 . 1 . . . . 387 ARG CA . 7421 1 63 . 1 1 6 6 ARG CB C 13 30.568 0.043 . 1 . . . . 387 ARG CB . 7421 1 64 . 1 1 6 6 ARG CD C 13 43.234 0.040 . 1 . . . . 387 ARG CD . 7421 1 65 . 1 1 6 6 ARG CG C 13 27.251 0.028 . 1 . . . . 387 ARG CG . 7421 1 66 . 1 1 6 6 ARG CZ C 13 170.994 0.005 . 1 . . . . 387 ARG CZ . 7421 1 67 . 1 1 6 6 ARG N N 15 122.791 0.057 . 1 . . . . 387 ARG N . 7421 1 68 . 1 1 6 6 ARG NE N 15 84.965 0.011 . 1 . . . . 387 ARG NE . 7421 1 69 . 1 1 7 7 LYS H H 1 8.202 0.003 . 1 . . . . 388 LYS H . 7421 1 70 . 1 1 7 7 LYS HA H 1 4.918 0.003 . 1 . . . . 388 LYS HA . 7421 1 71 . 1 1 7 7 LYS HB2 H 1 1.515 0.017 . 2 . . . . 388 LYS HB2 . 7421 1 72 . 1 1 7 7 LYS HB3 H 1 1.448 0.032 . 2 . . . . 388 LYS HB3 . 7421 1 73 . 1 1 7 7 LYS HD2 H 1 1.488 0.006 . 1 . . . . 388 LYS HD2 . 7421 1 74 . 1 1 7 7 LYS HD3 H 1 1.488 0.006 . 1 . . . . 388 LYS HD3 . 7421 1 75 . 1 1 7 7 LYS HE2 H 1 2.909 0.004 . 1 . . . . 388 LYS HE2 . 7421 1 76 . 1 1 7 7 LYS HE3 H 1 2.909 0.004 . 1 . . . . 388 LYS HE3 . 7421 1 77 . 1 1 7 7 LYS HG2 H 1 1.244 0.009 . 1 . . . . 388 LYS HG2 . 7421 1 78 . 1 1 7 7 LYS HG3 H 1 1.244 0.009 . 1 . . . . 388 LYS HG3 . 7421 1 79 . 1 1 7 7 LYS C C 13 176.437 0.000 . 1 . . . . 388 LYS C . 7421 1 80 . 1 1 7 7 LYS CA C 13 54.917 0.037 . 1 . . . . 388 LYS CA . 7421 1 81 . 1 1 7 7 LYS CB C 13 35.270 0.046 . 1 . . . . 388 LYS CB . 7421 1 82 . 1 1 7 7 LYS CD C 13 29.523 0.050 . 1 . . . . 388 LYS CD . 7421 1 83 . 1 1 7 7 LYS CE C 13 42.264 0.013 . 1 . . . . 388 LYS CE . 7421 1 84 . 1 1 7 7 LYS CG C 13 25.443 0.018 . 1 . . . . 388 LYS CG . 7421 1 85 . 1 1 7 7 LYS N N 15 120.567 0.025 . 1 . . . . 388 LYS N . 7421 1 86 . 1 1 8 8 CYS H H 1 9.089 0.005 . 1 . . . . 389 CYS H . 7421 1 87 . 1 1 8 8 CYS HA H 1 4.604 0.009 . 1 . . . . 389 CYS HA . 7421 1 88 . 1 1 8 8 CYS HB2 H 1 1.736 0.015 . 2 . . . . 389 CYS HB2 . 7421 1 89 . 1 1 8 8 CYS HB3 H 1 1.718 0.015 . 2 . . . . 389 CYS HB3 . 7421 1 90 . 1 1 8 8 CYS C C 13 173.506 0.008 . 1 . . . . 389 CYS C . 7421 1 91 . 1 1 8 8 CYS CA C 13 56.265 0.060 . 1 . . . . 389 CYS CA . 7421 1 92 . 1 1 8 8 CYS CB C 13 41.391 0.040 . 1 . . . . 389 CYS CB . 7421 1 93 . 1 1 8 8 CYS N N 15 117.810 0.013 . 1 . . . . 389 CYS N . 7421 1 94 . 1 1 9 9 TYR H H 1 9.029 0.004 . 1 . . . . 390 TYR H . 7421 1 95 . 1 1 9 9 TYR HA H 1 5.207 0.003 . 1 . . . . 390 TYR HA . 7421 1 96 . 1 1 9 9 TYR HB2 H 1 2.901 0.003 . 1 . . . . 390 TYR HB2 . 7421 1 97 . 1 1 9 9 TYR HB3 H 1 2.901 0.003 . 1 . . . . 390 TYR HB3 . 7421 1 98 . 1 1 9 9 TYR HD1 H 1 6.976 0.002 . 1 . . . . 390 TYR HD . 7421 1 99 . 1 1 9 9 TYR HD2 H 1 6.976 0.002 . 1 . . . . 390 TYR HD . 7421 1 100 . 1 1 9 9 TYR HE1 H 1 6.777 0.002 . 1 . . . . 390 TYR HE . 7421 1 101 . 1 1 9 9 TYR HE2 H 1 6.777 0.002 . 1 . . . . 390 TYR HE . 7421 1 102 . 1 1 9 9 TYR C C 13 177.271 0.000 . 1 . . . . 390 TYR C . 7421 1 103 . 1 1 9 9 TYR CA C 13 57.015 0.104 . 1 . . . . 390 TYR CA . 7421 1 104 . 1 1 9 9 TYR CB C 13 39.772 0.046 . 1 . . . . 390 TYR CB . 7421 1 105 . 1 1 9 9 TYR CD1 C 13 133.234 0.027 . 1 . . . . 390 TYR CD . 7421 1 106 . 1 1 9 9 TYR CD2 C 13 133.234 0.027 . 1 . . . . 390 TYR CD . 7421 1 107 . 1 1 9 9 TYR CE1 C 13 118.158 0.030 . 1 . . . . 390 TYR CE . 7421 1 108 . 1 1 9 9 TYR CE2 C 13 118.158 0.030 . 1 . . . . 390 TYR CE . 7421 1 109 . 1 1 9 9 TYR N N 15 123.968 0.035 . 1 . . . . 390 TYR N . 7421 1 110 . 1 1 10 10 PHE H H 1 9.703 0.003 . 1 . . . . 391 PHE H . 7421 1 111 . 1 1 10 10 PHE HA H 1 4.600 0.002 . 1 . . . . 391 PHE HA . 7421 1 112 . 1 1 10 10 PHE HB2 H 1 3.026 0.002 . 2 . . . . 391 PHE HB2 . 7421 1 113 . 1 1 10 10 PHE HB3 H 1 3.969 0.002 . 2 . . . . 391 PHE HB3 . 7421 1 114 . 1 1 10 10 PHE HD1 H 1 6.739 0.003 . 1 . . . . 391 PHE HD . 7421 1 115 . 1 1 10 10 PHE HD2 H 1 6.739 0.003 . 1 . . . . 391 PHE HD . 7421 1 116 . 1 1 10 10 PHE HE1 H 1 6.690 0.003 . 1 . . . . 391 PHE HE . 7421 1 117 . 1 1 10 10 PHE HE2 H 1 6.690 0.003 . 1 . . . . 391 PHE HE . 7421 1 118 . 1 1 10 10 PHE HZ H 1 6.773 0.003 . 1 . . . . 391 PHE HZ . 7421 1 119 . 1 1 10 10 PHE CA C 13 58.142 0.011 . 1 . . . . 391 PHE CA . 7421 1 120 . 1 1 10 10 PHE CB C 13 39.576 0.042 . 1 . . . . 391 PHE CB . 7421 1 121 . 1 1 10 10 PHE CD1 C 13 132.097 0.062 . 1 . . . . 391 PHE CD . 7421 1 122 . 1 1 10 10 PHE CD2 C 13 132.097 0.062 . 1 . . . . 391 PHE CD . 7421 1 123 . 1 1 10 10 PHE CE1 C 13 131.041 0.074 . 1 . . . . 391 PHE CE . 7421 1 124 . 1 1 10 10 PHE CE2 C 13 131.041 0.074 . 1 . . . . 391 PHE CE . 7421 1 125 . 1 1 10 10 PHE CZ C 13 127.970 0.039 . 1 . . . . 391 PHE CZ . 7421 1 126 . 1 1 10 10 PHE N N 15 104.658 0.023 . 1 . . . . 391 PHE N . 7421 1 127 . 1 1 11 11 PRO HA H 1 4.851 0.002 . 1 . . . . 392 PRO HA . 7421 1 128 . 1 1 11 11 PRO HB2 H 1 2.211 0.010 . 2 . . . . 392 PRO HB2 . 7421 1 129 . 1 1 11 11 PRO HB3 H 1 2.186 0.010 . 2 . . . . 392 PRO HB3 . 7421 1 130 . 1 1 11 11 PRO HD2 H 1 1.543 0.003 . 2 . . . . 392 PRO HD2 . 7421 1 131 . 1 1 11 11 PRO HD3 H 1 3.443 0.003 . 2 . . . . 392 PRO HD3 . 7421 1 132 . 1 1 11 11 PRO HG2 H 1 1.208 0.002 . 2 . . . . 392 PRO HG2 . 7421 1 133 . 1 1 11 11 PRO HG3 H 1 1.758 0.003 . 2 . . . . 392 PRO HG3 . 7421 1 134 . 1 1 11 11 PRO C C 13 174.550 0.000 . 1 . . . . 392 PRO C . 7421 1 135 . 1 1 11 11 PRO CA C 13 62.793 0.036 . 1 . . . . 392 PRO CA . 7421 1 136 . 1 1 11 11 PRO CB C 13 33.157 0.047 . 1 . . . . 392 PRO CB . 7421 1 137 . 1 1 11 11 PRO CD C 13 49.286 0.053 . 1 . . . . 392 PRO CD . 7421 1 138 . 1 1 11 11 PRO CG C 13 26.136 0.023 . 1 . . . . 392 PRO CG . 7421 1 139 . 1 1 12 12 TYR H H 1 8.662 0.004 . 1 . . . . 393 TYR H . 7421 1 140 . 1 1 12 12 TYR HA H 1 3.644 0.003 . 1 . . . . 393 TYR HA . 7421 1 141 . 1 1 12 12 TYR HB2 H 1 2.521 0.040 . 2 . . . . 393 TYR HB2 . 7421 1 142 . 1 1 12 12 TYR HB3 H 1 2.505 0.039 . 2 . . . . 393 TYR HB3 . 7421 1 143 . 1 1 12 12 TYR HD1 H 1 6.307 0.002 . 1 . . . . 393 TYR HD . 7421 1 144 . 1 1 12 12 TYR HD2 H 1 6.307 0.002 . 1 . . . . 393 TYR HD . 7421 1 145 . 1 1 12 12 TYR HE1 H 1 6.533 0.002 . 1 . . . . 393 TYR HE . 7421 1 146 . 1 1 12 12 TYR HE2 H 1 6.533 0.002 . 1 . . . . 393 TYR HE . 7421 1 147 . 1 1 12 12 TYR C C 13 174.843 0.003 . 1 . . . . 393 TYR C . 7421 1 148 . 1 1 12 12 TYR CA C 13 59.631 0.058 . 1 . . . . 393 TYR CA . 7421 1 149 . 1 1 12 12 TYR CB C 13 38.449 0.060 . 1 . . . . 393 TYR CB . 7421 1 150 . 1 1 12 12 TYR CD1 C 13 132.686 0.031 . 1 . . . . 393 TYR CD . 7421 1 151 . 1 1 12 12 TYR CD2 C 13 132.686 0.031 . 1 . . . . 393 TYR CD . 7421 1 152 . 1 1 12 12 TYR CE1 C 13 118.090 0.057 . 1 . . . . 393 TYR CE . 7421 1 153 . 1 1 12 12 TYR CE2 C 13 118.090 0.057 . 1 . . . . 393 TYR CE . 7421 1 154 . 1 1 12 12 TYR N N 15 119.068 0.026 . 1 . . . . 393 TYR N . 7421 1 155 . 1 1 13 13 LEU H H 1 8.703 0.003 . 1 . . . . 394 LEU H . 7421 1 156 . 1 1 13 13 LEU HA H 1 4.292 0.003 . 1 . . . . 394 LEU HA . 7421 1 157 . 1 1 13 13 LEU HB2 H 1 0.699 0.018 . 2 . . . . 394 LEU HB2 . 7421 1 158 . 1 1 13 13 LEU HB3 H 1 1.216 0.004 . 2 . . . . 394 LEU HB3 . 7421 1 159 . 1 1 13 13 LEU HD11 H 1 0.448 0.003 . 2 . . . . 394 LEU HD1 . 7421 1 160 . 1 1 13 13 LEU HD12 H 1 0.448 0.003 . 2 . . . . 394 LEU HD1 . 7421 1 161 . 1 1 13 13 LEU HD13 H 1 0.448 0.003 . 2 . . . . 394 LEU HD1 . 7421 1 162 . 1 1 13 13 LEU HD21 H 1 0.763 0.009 . 2 . . . . 394 LEU HD2 . 7421 1 163 . 1 1 13 13 LEU HD22 H 1 0.763 0.009 . 2 . . . . 394 LEU HD2 . 7421 1 164 . 1 1 13 13 LEU HD23 H 1 0.763 0.009 . 2 . . . . 394 LEU HD2 . 7421 1 165 . 1 1 13 13 LEU HG H 1 1.450 0.011 . 1 . . . . 394 LEU HG . 7421 1 166 . 1 1 13 13 LEU C C 13 175.612 0.000 . 1 . . . . 394 LEU C . 7421 1 167 . 1 1 13 13 LEU CA C 13 52.422 0.033 . 1 . . . . 394 LEU CA . 7421 1 168 . 1 1 13 13 LEU CB C 13 42.815 0.040 . 1 . . . . 394 LEU CB . 7421 1 169 . 1 1 13 13 LEU CD1 C 13 23.870 0.040 . 2 . . . . 394 LEU CD1 . 7421 1 170 . 1 1 13 13 LEU CD2 C 13 26.188 0.069 . 2 . . . . 394 LEU CD2 . 7421 1 171 . 1 1 13 13 LEU CG C 13 25.862 0.105 . 1 . . . . 394 LEU CG . 7421 1 172 . 1 1 13 13 LEU N N 15 129.054 0.011 . 1 . . . . 394 LEU N . 7421 1 173 . 1 1 14 14 GLU H H 1 8.284 0.005 . 1 . . . . 395 GLU H . 7421 1 174 . 1 1 14 14 GLU HA H 1 3.913 0.002 . 1 . . . . 395 GLU HA . 7421 1 175 . 1 1 14 14 GLU HB2 H 1 1.865 0.012 . 2 . . . . 395 GLU HB2 . 7421 1 176 . 1 1 14 14 GLU HB3 H 1 1.845 0.012 . 2 . . . . 395 GLU HB3 . 7421 1 177 . 1 1 14 14 GLU HG2 H 1 2.281 0.008 . 2 . . . . 395 GLU HG2 . 7421 1 178 . 1 1 14 14 GLU HG3 H 1 2.283 0.010 . 2 . . . . 395 GLU HG3 . 7421 1 179 . 1 1 14 14 GLU CA C 13 57.560 0.039 . 1 . . . . 395 GLU CA . 7421 1 180 . 1 1 14 14 GLU CB C 13 29.280 0.021 . 1 . . . . 395 GLU CB . 7421 1 181 . 1 1 14 14 GLU CG C 13 36.009 0.058 . 1 . . . . 395 GLU CG . 7421 1 182 . 1 1 14 14 GLU N N 15 127.131 0.022 . 1 . . . . 395 GLU N . 7421 1 183 . 1 1 15 15 ASN HD21 H 1 6.917 0.002 . 2 . . . . 396 ASN HD21 . 7421 1 184 . 1 1 15 15 ASN HD22 H 1 7.535 0.000 . 2 . . . . 396 ASN HD22 . 7421 1 185 . 1 1 15 15 ASN ND2 N 15 116.751 0.021 . 1 . . . . 396 ASN ND2 . 7421 1 186 . 1 1 16 16 GLY HA2 H 1 3.324 0.002 . 2 . . . . 397 GLY HA2 . 7421 1 187 . 1 1 16 16 GLY HA3 H 1 4.036 0.003 . 2 . . . . 397 GLY HA3 . 7421 1 188 . 1 1 16 16 GLY C C 13 170.059 0.000 . 1 . . . . 397 GLY C . 7421 1 189 . 1 1 16 16 GLY CA C 13 44.831 0.029 . 1 . . . . 397 GLY CA . 7421 1 190 . 1 1 17 17 TYR H H 1 7.889 0.004 . 1 . . . . 398 TYR H . 7421 1 191 . 1 1 17 17 TYR HA H 1 4.680 0.001 . 1 . . . . 398 TYR HA . 7421 1 192 . 1 1 17 17 TYR HB2 H 1 2.805 0.003 . 2 . . . . 398 TYR HB2 . 7421 1 193 . 1 1 17 17 TYR HB3 H 1 3.390 0.003 . 2 . . . . 398 TYR HB3 . 7421 1 194 . 1 1 17 17 TYR HD1 H 1 7.101 0.002 . 1 . . . . 398 TYR HD . 7421 1 195 . 1 1 17 17 TYR HD2 H 1 7.101 0.002 . 1 . . . . 398 TYR HD . 7421 1 196 . 1 1 17 17 TYR HE1 H 1 6.831 0.002 . 1 . . . . 398 TYR HE . 7421 1 197 . 1 1 17 17 TYR HE2 H 1 6.831 0.002 . 1 . . . . 398 TYR HE . 7421 1 198 . 1 1 17 17 TYR C C 13 177.669 0.000 . 1 . . . . 398 TYR C . 7421 1 199 . 1 1 17 17 TYR CA C 13 58.765 0.040 . 1 . . . . 398 TYR CA . 7421 1 200 . 1 1 17 17 TYR CB C 13 38.004 0.060 . 1 . . . . 398 TYR CB . 7421 1 201 . 1 1 17 17 TYR CD1 C 13 133.571 0.029 . 1 . . . . 398 TYR CD . 7421 1 202 . 1 1 17 17 TYR CD2 C 13 133.571 0.029 . 1 . . . . 398 TYR CD . 7421 1 203 . 1 1 17 17 TYR CE1 C 13 118.616 0.021 . 1 . . . . 398 TYR CE . 7421 1 204 . 1 1 17 17 TYR CE2 C 13 118.616 0.021 . 1 . . . . 398 TYR CE . 7421 1 205 . 1 1 17 17 TYR N N 15 116.477 0.015 . 1 . . . . 398 TYR N . 7421 1 206 . 1 1 18 18 ASN H H 1 8.849 0.003 . 1 . . . . 399 ASN H . 7421 1 207 . 1 1 18 18 ASN HA H 1 5.006 0.002 . 1 . . . . 399 ASN HA . 7421 1 208 . 1 1 18 18 ASN HB2 H 1 2.501 0.004 . 2 . . . . 399 ASN HB2 . 7421 1 209 . 1 1 18 18 ASN HB3 H 1 3.105 0.005 . 2 . . . . 399 ASN HB3 . 7421 1 210 . 1 1 18 18 ASN HD21 H 1 6.384 0.003 . 2 . . . . 399 ASN HD21 . 7421 1 211 . 1 1 18 18 ASN HD22 H 1 7.449 0.001 . 2 . . . . 399 ASN HD22 . 7421 1 212 . 1 1 18 18 ASN C C 13 176.351 0.021 . 1 . . . . 399 ASN C . 7421 1 213 . 1 1 18 18 ASN CA C 13 55.986 0.025 . 1 . . . . 399 ASN CA . 7421 1 214 . 1 1 18 18 ASN CB C 13 39.727 0.067 . 1 . . . . 399 ASN CB . 7421 1 215 . 1 1 18 18 ASN N N 15 121.180 0.021 . 1 . . . . 399 ASN N . 7421 1 216 . 1 1 18 18 ASN ND2 N 15 119.352 0.026 . 1 . . . . 399 ASN ND2 . 7421 1 217 . 1 1 19 19 GLN H H 1 8.921 0.004 . 1 . . . . 400 GLN H . 7421 1 218 . 1 1 19 19 GLN HA H 1 4.189 0.002 . 1 . . . . 400 GLN HA . 7421 1 219 . 1 1 19 19 GLN HB2 H 1 2.064 0.012 . 2 . . . . 400 GLN HB2 . 7421 1 220 . 1 1 19 19 GLN HB3 H 1 1.993 0.008 . 2 . . . . 400 GLN HB3 . 7421 1 221 . 1 1 19 19 GLN HE21 H 1 6.560 0.001 . 2 . . . . 400 GLN HE21 . 7421 1 222 . 1 1 19 19 GLN HE22 H 1 7.389 0.001 . 2 . . . . 400 GLN HE22 . 7421 1 223 . 1 1 19 19 GLN HG2 H 1 2.325 0.017 . 2 . . . . 400 GLN HG2 . 7421 1 224 . 1 1 19 19 GLN HG3 H 1 2.419 0.027 . 2 . . . . 400 GLN HG3 . 7421 1 225 . 1 1 19 19 GLN C C 13 177.086 0.002 . 1 . . . . 400 GLN C . 7421 1 226 . 1 1 19 19 GLN CA C 13 59.626 0.024 . 1 . . . . 400 GLN CA . 7421 1 227 . 1 1 19 19 GLN CB C 13 27.792 0.060 . 1 . . . . 400 GLN CB . 7421 1 228 . 1 1 19 19 GLN CG C 13 33.312 0.035 . 1 . . . . 400 GLN CG . 7421 1 229 . 1 1 19 19 GLN N N 15 121.047 0.026 . 1 . . . . 400 GLN N . 7421 1 230 . 1 1 19 19 GLN NE2 N 15 110.902 0.009 . 1 . . . . 400 GLN NE2 . 7421 1 231 . 1 1 20 20 ASN H H 1 9.028 0.004 . 1 . . . . 401 ASN H . 7421 1 232 . 1 1 20 20 ASN HA H 1 4.859 0.003 . 1 . . . . 401 ASN HA . 7421 1 233 . 1 1 20 20 ASN HB2 H 1 1.892 0.002 . 2 . . . . 401 ASN HB2 . 7421 1 234 . 1 1 20 20 ASN HB3 H 1 2.376 0.001 . 2 . . . . 401 ASN HB3 . 7421 1 235 . 1 1 20 20 ASN HD21 H 1 7.012 0.001 . 2 . . . . 401 ASN HD21 . 7421 1 236 . 1 1 20 20 ASN HD22 H 1 7.149 0.001 . 2 . . . . 401 ASN HD22 . 7421 1 237 . 1 1 20 20 ASN C C 13 174.067 0.003 . 1 . . . . 401 ASN C . 7421 1 238 . 1 1 20 20 ASN CA C 13 52.953 0.033 . 1 . . . . 401 ASN CA . 7421 1 239 . 1 1 20 20 ASN CB C 13 39.164 0.100 . 1 . . . . 401 ASN CB . 7421 1 240 . 1 1 20 20 ASN N N 15 114.777 0.019 . 1 . . . . 401 ASN N . 7421 1 241 . 1 1 20 20 ASN ND2 N 15 116.515 0.011 . 1 . . . . 401 ASN ND2 . 7421 1 242 . 1 1 21 21 TYR H H 1 7.348 0.003 . 1 . . . . 402 TYR H . 7421 1 243 . 1 1 21 21 TYR HA H 1 4.363 0.002 . 1 . . . . 402 TYR HA . 7421 1 244 . 1 1 21 21 TYR HB2 H 1 2.994 0.003 . 2 . . . . 402 TYR HB2 . 7421 1 245 . 1 1 21 21 TYR HB3 H 1 3.638 0.002 . 2 . . . . 402 TYR HB3 . 7421 1 246 . 1 1 21 21 TYR HD1 H 1 7.226 0.003 . 1 . . . . 402 TYR HD . 7421 1 247 . 1 1 21 21 TYR HD2 H 1 7.226 0.003 . 1 . . . . 402 TYR HD . 7421 1 248 . 1 1 21 21 TYR HE1 H 1 6.976 0.002 . 1 . . . . 402 TYR HE . 7421 1 249 . 1 1 21 21 TYR HE2 H 1 6.976 0.002 . 1 . . . . 402 TYR HE . 7421 1 250 . 1 1 21 21 TYR C C 13 177.347 0.004 . 1 . . . . 402 TYR C . 7421 1 251 . 1 1 21 21 TYR CA C 13 59.097 0.047 . 1 . . . . 402 TYR CA . 7421 1 252 . 1 1 21 21 TYR CB C 13 38.067 0.048 . 1 . . . . 402 TYR CB . 7421 1 253 . 1 1 21 21 TYR CD1 C 13 132.789 0.030 . 1 . . . . 402 TYR CD . 7421 1 254 . 1 1 21 21 TYR CD2 C 13 132.789 0.030 . 1 . . . . 402 TYR CD . 7421 1 255 . 1 1 21 21 TYR CE1 C 13 118.527 0.042 . 1 . . . . 402 TYR CE . 7421 1 256 . 1 1 21 21 TYR CE2 C 13 118.527 0.042 . 1 . . . . 402 TYR CE . 7421 1 257 . 1 1 21 21 TYR N N 15 121.030 0.006 . 1 . . . . 402 TYR N . 7421 1 258 . 1 1 22 22 GLY H H 1 8.996 0.004 . 1 . . . . 403 GLY H . 7421 1 259 . 1 1 22 22 GLY HA2 H 1 3.272 0.004 . 2 . . . . 403 GLY HA2 . 7421 1 260 . 1 1 22 22 GLY HA3 H 1 3.735 0.005 . 2 . . . . 403 GLY HA3 . 7421 1 261 . 1 1 22 22 GLY C C 13 173.948 0.007 . 1 . . . . 403 GLY C . 7421 1 262 . 1 1 22 22 GLY CA C 13 44.793 0.059 . 1 . . . . 403 GLY CA . 7421 1 263 . 1 1 22 22 GLY N N 15 118.464 0.008 . 1 . . . . 403 GLY N . 7421 1 264 . 1 1 23 23 ARG H H 1 8.004 0.003 . 1 . . . . 404 ARG H . 7421 1 265 . 1 1 23 23 ARG HA H 1 4.165 0.005 . 1 . . . . 404 ARG HA . 7421 1 266 . 1 1 23 23 ARG HB2 H 1 1.595 0.002 . 2 . . . . 404 ARG HB2 . 7421 1 267 . 1 1 23 23 ARG HB3 H 1 1.876 0.004 . 2 . . . . 404 ARG HB3 . 7421 1 268 . 1 1 23 23 ARG HD2 H 1 3.089 0.003 . 2 . . . . 404 ARG HD2 . 7421 1 269 . 1 1 23 23 ARG HD3 H 1 3.287 0.002 . 2 . . . . 404 ARG HD3 . 7421 1 270 . 1 1 23 23 ARG HE H 1 7.051 0.002 . 1 . . . . 404 ARG HE . 7421 1 271 . 1 1 23 23 ARG HG2 H 1 1.385 0.004 . 2 . . . . 404 ARG HG2 . 7421 1 272 . 1 1 23 23 ARG HG3 H 1 1.648 0.003 . 2 . . . . 404 ARG HG3 . 7421 1 273 . 1 1 23 23 ARG C C 13 174.834 0.002 . 1 . . . . 404 ARG C . 7421 1 274 . 1 1 23 23 ARG CA C 13 56.651 0.029 . 1 . . . . 404 ARG CA . 7421 1 275 . 1 1 23 23 ARG CB C 13 31.802 0.047 . 1 . . . . 404 ARG CB . 7421 1 276 . 1 1 23 23 ARG CD C 13 43.826 0.033 . 1 . . . . 404 ARG CD . 7421 1 277 . 1 1 23 23 ARG CG C 13 27.713 0.041 . 1 . . . . 404 ARG CG . 7421 1 278 . 1 1 23 23 ARG CZ C 13 171.026 0.018 . 1 . . . . 404 ARG CZ . 7421 1 279 . 1 1 23 23 ARG N N 15 120.491 0.042 . 1 . . . . 404 ARG N . 7421 1 280 . 1 1 23 23 ARG NE N 15 84.732 0.091 . 1 . . . . 404 ARG NE . 7421 1 281 . 1 1 24 24 LYS H H 1 8.149 0.003 . 1 . . . . 405 LYS H . 7421 1 282 . 1 1 24 24 LYS HA H 1 4.927 0.003 . 1 . . . . 405 LYS HA . 7421 1 283 . 1 1 24 24 LYS HB2 H 1 1.390 0.001 . 2 . . . . 405 LYS HB2 . 7421 1 284 . 1 1 24 24 LYS HB3 H 1 1.495 0.004 . 2 . . . . 405 LYS HB3 . 7421 1 285 . 1 1 24 24 LYS HD2 H 1 1.562 0.008 . 1 . . . . 405 LYS HD2 . 7421 1 286 . 1 1 24 24 LYS HD3 H 1 1.562 0.008 . 1 . . . . 405 LYS HD3 . 7421 1 287 . 1 1 24 24 LYS HE2 H 1 2.898 0.002 . 1 . . . . 405 LYS HE2 . 7421 1 288 . 1 1 24 24 LYS HE3 H 1 2.898 0.002 . 1 . . . . 405 LYS HE3 . 7421 1 289 . 1 1 24 24 LYS HG2 H 1 1.016 0.003 . 2 . . . . 405 LYS HG2 . 7421 1 290 . 1 1 24 24 LYS HG3 H 1 1.166 0.003 . 2 . . . . 405 LYS HG3 . 7421 1 291 . 1 1 24 24 LYS C C 13 175.823 0.001 . 1 . . . . 405 LYS C . 7421 1 292 . 1 1 24 24 LYS CA C 13 55.003 0.023 . 1 . . . . 405 LYS CA . 7421 1 293 . 1 1 24 24 LYS CB C 13 34.459 0.041 . 1 . . . . 405 LYS CB . 7421 1 294 . 1 1 24 24 LYS CD C 13 29.633 0.026 . 1 . . . . 405 LYS CD . 7421 1 295 . 1 1 24 24 LYS CE C 13 41.858 0.033 . 1 . . . . 405 LYS CE . 7421 1 296 . 1 1 24 24 LYS CG C 13 24.965 0.017 . 1 . . . . 405 LYS CG . 7421 1 297 . 1 1 24 24 LYS N N 15 120.986 0.032 . 1 . . . . 405 LYS N . 7421 1 298 . 1 1 25 25 PHE H H 1 8.854 0.003 . 1 . . . . 406 PHE H . 7421 1 299 . 1 1 25 25 PHE HA H 1 4.815 0.001 . 1 . . . . 406 PHE HA . 7421 1 300 . 1 1 25 25 PHE HB2 H 1 2.728 0.003 . 2 . . . . 406 PHE HB2 . 7421 1 301 . 1 1 25 25 PHE HB3 H 1 3.005 0.004 . 2 . . . . 406 PHE HB3 . 7421 1 302 . 1 1 25 25 PHE HD1 H 1 7.452 0.002 . 1 . . . . 406 PHE HD . 7421 1 303 . 1 1 25 25 PHE HD2 H 1 7.452 0.002 . 1 . . . . 406 PHE HD . 7421 1 304 . 1 1 25 25 PHE HE1 H 1 7.293 0.002 . 1 . . . . 406 PHE HE . 7421 1 305 . 1 1 25 25 PHE HE2 H 1 7.293 0.002 . 1 . . . . 406 PHE HE . 7421 1 306 . 1 1 25 25 PHE HZ H 1 7.006 0.002 . 1 . . . . 406 PHE HZ . 7421 1 307 . 1 1 25 25 PHE C C 13 174.078 0.007 . 1 . . . . 406 PHE C . 7421 1 308 . 1 1 25 25 PHE CA C 13 56.611 0.034 . 1 . . . . 406 PHE CA . 7421 1 309 . 1 1 25 25 PHE CB C 13 43.261 0.038 . 1 . . . . 406 PHE CB . 7421 1 310 . 1 1 25 25 PHE CD1 C 13 131.963 0.056 . 1 . . . . 406 PHE CD . 7421 1 311 . 1 1 25 25 PHE CD2 C 13 131.963 0.056 . 1 . . . . 406 PHE CD . 7421 1 312 . 1 1 25 25 PHE CE1 C 13 131.386 0.059 . 1 . . . . 406 PHE CE . 7421 1 313 . 1 1 25 25 PHE CE2 C 13 131.386 0.059 . 1 . . . . 406 PHE CE . 7421 1 314 . 1 1 25 25 PHE CZ C 13 129.350 0.061 . 1 . . . . 406 PHE CZ . 7421 1 315 . 1 1 25 25 PHE N N 15 122.947 0.013 . 1 . . . . 406 PHE N . 7421 1 316 . 1 1 26 26 VAL H H 1 8.098 0.003 . 1 . . . . 407 VAL H . 7421 1 317 . 1 1 26 26 VAL HA H 1 4.360 0.003 . 1 . . . . 407 VAL HA . 7421 1 318 . 1 1 26 26 VAL HB H 1 2.152 0.002 . 1 . . . . 407 VAL HB . 7421 1 319 . 1 1 26 26 VAL HG11 H 1 0.998 0.007 . 2 . . . . 407 VAL HG1 . 7421 1 320 . 1 1 26 26 VAL HG12 H 1 0.998 0.007 . 2 . . . . 407 VAL HG1 . 7421 1 321 . 1 1 26 26 VAL HG13 H 1 0.998 0.007 . 2 . . . . 407 VAL HG1 . 7421 1 322 . 1 1 26 26 VAL HG21 H 1 0.953 0.010 . 2 . . . . 407 VAL HG2 . 7421 1 323 . 1 1 26 26 VAL HG22 H 1 0.953 0.010 . 2 . . . . 407 VAL HG2 . 7421 1 324 . 1 1 26 26 VAL HG23 H 1 0.953 0.010 . 2 . . . . 407 VAL HG2 . 7421 1 325 . 1 1 26 26 VAL C C 13 175.027 0.003 . 1 . . . . 407 VAL C . 7421 1 326 . 1 1 26 26 VAL CA C 13 61.033 0.017 . 1 . . . . 407 VAL CA . 7421 1 327 . 1 1 26 26 VAL CB C 13 33.360 0.078 . 1 . . . . 407 VAL CB . 7421 1 328 . 1 1 26 26 VAL N N 15 116.265 0.016 . 1 . . . . 407 VAL N . 7421 1 329 . 1 1 27 27 GLN H H 1 7.935 0.003 . 1 . . . . 408 GLN H . 7421 1 330 . 1 1 27 27 GLN HA H 1 3.541 0.004 . 1 . . . . 408 GLN HA . 7421 1 331 . 1 1 27 27 GLN HB2 H 1 1.865 0.026 . 2 . . . . 408 GLN HB2 . 7421 1 332 . 1 1 27 27 GLN HB3 H 1 1.876 0.025 . 2 . . . . 408 GLN HB3 . 7421 1 333 . 1 1 27 27 GLN HE21 H 1 6.975 0.001 . 2 . . . . 408 GLN HE21 . 7421 1 334 . 1 1 27 27 GLN HE22 H 1 7.536 0.001 . 2 . . . . 408 GLN HE22 . 7421 1 335 . 1 1 27 27 GLN HG2 H 1 2.135 0.035 . 2 . . . . 408 GLN HG2 . 7421 1 336 . 1 1 27 27 GLN HG3 H 1 2.101 0.040 . 2 . . . . 408 GLN HG3 . 7421 1 337 . 1 1 27 27 GLN C C 13 176.558 0.002 . 1 . . . . 408 GLN C . 7421 1 338 . 1 1 27 27 GLN CA C 13 57.694 0.032 . 1 . . . . 408 GLN CA . 7421 1 339 . 1 1 27 27 GLN CB C 13 29.133 0.101 . 1 . . . . 408 GLN CB . 7421 1 340 . 1 1 27 27 GLN CG C 13 33.771 0.035 . 1 . . . . 408 GLN CG . 7421 1 341 . 1 1 27 27 GLN N N 15 120.912 0.041 . 1 . . . . 408 GLN N . 7421 1 342 . 1 1 27 27 GLN NE2 N 15 111.771 0.013 . 1 . . . . 408 GLN NE2 . 7421 1 343 . 1 1 28 28 GLY H H 1 9.409 0.004 . 1 . . . . 409 GLY H . 7421 1 344 . 1 1 28 28 GLY HA2 H 1 3.582 0.002 . 2 . . . . 409 GLY HA2 . 7421 1 345 . 1 1 28 28 GLY HA3 H 1 4.401 0.003 . 2 . . . . 409 GLY HA3 . 7421 1 346 . 1 1 28 28 GLY C C 13 174.663 0.000 . 1 . . . . 409 GLY C . 7421 1 347 . 1 1 28 28 GLY CA C 13 44.433 0.040 . 1 . . . . 409 GLY CA . 7421 1 348 . 1 1 28 28 GLY N N 15 113.939 0.010 . 1 . . . . 409 GLY N . 7421 1 349 . 1 1 29 29 LYS H H 1 7.999 0.007 . 1 . . . . 410 LYS H . 7421 1 350 . 1 1 29 29 LYS HA H 1 4.572 0.003 . 1 . . . . 410 LYS HA . 7421 1 351 . 1 1 29 29 LYS HB2 H 1 2.100 0.005 . 2 . . . . 410 LYS HB2 . 7421 1 352 . 1 1 29 29 LYS HB3 H 1 2.210 0.008 . 2 . . . . 410 LYS HB3 . 7421 1 353 . 1 1 29 29 LYS HD2 H 1 1.831 0.014 . 2 . . . . 410 LYS HD2 . 7421 1 354 . 1 1 29 29 LYS HD3 H 1 1.854 0.008 . 2 . . . . 410 LYS HD3 . 7421 1 355 . 1 1 29 29 LYS HE2 H 1 3.019 0.010 . 2 . . . . 410 LYS HE2 . 7421 1 356 . 1 1 29 29 LYS HE3 H 1 3.043 0.011 . 2 . . . . 410 LYS HE3 . 7421 1 357 . 1 1 29 29 LYS HG2 H 1 1.598 0.003 . 1 . . . . 410 LYS HG2 . 7421 1 358 . 1 1 29 29 LYS HG3 H 1 1.598 0.003 . 1 . . . . 410 LYS HG3 . 7421 1 359 . 1 1 29 29 LYS C C 13 175.619 0.001 . 1 . . . . 410 LYS C . 7421 1 360 . 1 1 29 29 LYS CA C 13 55.136 0.052 . 1 . . . . 410 LYS CA . 7421 1 361 . 1 1 29 29 LYS CB C 13 33.388 0.064 . 1 . . . . 410 LYS CB . 7421 1 362 . 1 1 29 29 LYS CD C 13 28.310 0.028 . 1 . . . . 410 LYS CD . 7421 1 363 . 1 1 29 29 LYS CE C 13 42.406 0.022 . 1 . . . . 410 LYS CE . 7421 1 364 . 1 1 29 29 LYS CG C 13 25.003 0.017 . 1 . . . . 410 LYS CG . 7421 1 365 . 1 1 29 29 LYS N N 15 121.047 0.021 . 1 . . . . 410 LYS N . 7421 1 366 . 1 1 30 30 SER H H 1 8.483 0.002 . 1 . . . . 411 SER H . 7421 1 367 . 1 1 30 30 SER HA H 1 5.736 0.002 . 1 . . . . 411 SER HA . 7421 1 368 . 1 1 30 30 SER HB2 H 1 3.644 0.018 . 2 . . . . 411 SER HB2 . 7421 1 369 . 1 1 30 30 SER HB3 H 1 3.720 0.016 . 2 . . . . 411 SER HB3 . 7421 1 370 . 1 1 30 30 SER C C 13 172.820 0.001 . 1 . . . . 411 SER C . 7421 1 371 . 1 1 30 30 SER CA C 13 56.932 0.019 . 1 . . . . 411 SER CA . 7421 1 372 . 1 1 30 30 SER CB C 13 65.986 0.055 . 1 . . . . 411 SER CB . 7421 1 373 . 1 1 30 30 SER N N 15 117.818 0.019 . 1 . . . . 411 SER N . 7421 1 374 . 1 1 31 31 ILE H H 1 8.919 0.005 . 1 . . . . 412 ILE H . 7421 1 375 . 1 1 31 31 ILE HA H 1 4.426 0.004 . 1 . . . . 412 ILE HA . 7421 1 376 . 1 1 31 31 ILE HB H 1 1.312 0.003 . 1 . . . . 412 ILE HB . 7421 1 377 . 1 1 31 31 ILE HD11 H 1 0.391 0.002 . 1 . . . . 412 ILE HD1 . 7421 1 378 . 1 1 31 31 ILE HD12 H 1 0.391 0.002 . 1 . . . . 412 ILE HD1 . 7421 1 379 . 1 1 31 31 ILE HD13 H 1 0.391 0.002 . 1 . . . . 412 ILE HD1 . 7421 1 380 . 1 1 31 31 ILE HG12 H 1 0.818 0.002 . 2 . . . . 412 ILE HG12 . 7421 1 381 . 1 1 31 31 ILE HG13 H 1 1.031 0.003 . 2 . . . . 412 ILE HG13 . 7421 1 382 . 1 1 31 31 ILE HG21 H 1 0.167 0.003 . 1 . . . . 412 ILE HG2 . 7421 1 383 . 1 1 31 31 ILE HG22 H 1 0.167 0.003 . 1 . . . . 412 ILE HG2 . 7421 1 384 . 1 1 31 31 ILE HG23 H 1 0.167 0.003 . 1 . . . . 412 ILE HG2 . 7421 1 385 . 1 1 31 31 ILE C C 13 173.041 0.002 . 1 . . . . 412 ILE C . 7421 1 386 . 1 1 31 31 ILE CA C 13 57.797 0.038 . 1 . . . . 412 ILE CA . 7421 1 387 . 1 1 31 31 ILE CB C 13 41.469 0.054 . 1 . . . . 412 ILE CB . 7421 1 388 . 1 1 31 31 ILE CD1 C 13 13.124 0.021 . 1 . . . . 412 ILE CD1 . 7421 1 389 . 1 1 31 31 ILE CG1 C 13 27.557 0.030 . 1 . . . . 412 ILE CG1 . 7421 1 390 . 1 1 31 31 ILE CG2 C 13 18.041 0.020 . 1 . . . . 412 ILE CG2 . 7421 1 391 . 1 1 31 31 ILE N N 15 121.631 0.025 . 1 . . . . 412 ILE N . 7421 1 392 . 1 1 32 32 ASP H H 1 8.026 0.002 . 1 . . . . 413 ASP H . 7421 1 393 . 1 1 32 32 ASP HA H 1 4.960 0.003 . 1 . . . . 413 ASP HA . 7421 1 394 . 1 1 32 32 ASP HB2 H 1 2.514 0.018 . 2 . . . . 413 ASP HB2 . 7421 1 395 . 1 1 32 32 ASP HB3 H 1 2.441 0.020 . 2 . . . . 413 ASP HB3 . 7421 1 396 . 1 1 32 32 ASP C C 13 175.445 0.001 . 1 . . . . 413 ASP C . 7421 1 397 . 1 1 32 32 ASP CA C 13 53.920 0.030 . 1 . . . . 413 ASP CA . 7421 1 398 . 1 1 32 32 ASP CB C 13 40.937 0.033 . 1 . . . . 413 ASP CB . 7421 1 399 . 1 1 32 32 ASP N N 15 124.363 0.013 . 1 . . . . 413 ASP N . 7421 1 400 . 1 1 33 33 VAL H H 1 8.059 0.010 . 1 . . . . 414 VAL H . 7421 1 401 . 1 1 33 33 VAL HA H 1 3.837 0.002 . 1 . . . . 414 VAL HA . 7421 1 402 . 1 1 33 33 VAL HB H 1 1.741 0.003 . 1 . . . . 414 VAL HB . 7421 1 403 . 1 1 33 33 VAL HG11 H 1 0.739 0.015 . 2 . . . . 414 VAL HG1 . 7421 1 404 . 1 1 33 33 VAL HG12 H 1 0.739 0.015 . 2 . . . . 414 VAL HG1 . 7421 1 405 . 1 1 33 33 VAL HG13 H 1 0.739 0.015 . 2 . . . . 414 VAL HG1 . 7421 1 406 . 1 1 33 33 VAL HG21 H 1 0.830 0.016 . 2 . . . . 414 VAL HG2 . 7421 1 407 . 1 1 33 33 VAL HG22 H 1 0.830 0.016 . 2 . . . . 414 VAL HG2 . 7421 1 408 . 1 1 33 33 VAL HG23 H 1 0.830 0.016 . 2 . . . . 414 VAL HG2 . 7421 1 409 . 1 1 33 33 VAL C C 13 173.694 0.008 . 1 . . . . 414 VAL C . 7421 1 410 . 1 1 33 33 VAL CA C 13 62.046 0.039 . 1 . . . . 414 VAL CA . 7421 1 411 . 1 1 33 33 VAL CB C 13 33.694 0.064 . 1 . . . . 414 VAL CB . 7421 1 412 . 1 1 33 33 VAL CG1 C 13 22.397 0.036 . 2 . . . . 414 VAL CG1 . 7421 1 413 . 1 1 33 33 VAL CG2 C 13 23.601 0.024 . 2 . . . . 414 VAL CG2 . 7421 1 414 . 1 1 33 33 VAL N N 15 121.731 0.022 . 1 . . . . 414 VAL N . 7421 1 415 . 1 1 34 34 ALA H H 1 8.887 0.003 . 1 . . . . 415 ALA H . 7421 1 416 . 1 1 34 34 ALA HA H 1 4.800 0.003 . 1 . . . . 415 ALA HA . 7421 1 417 . 1 1 34 34 ALA HB1 H 1 1.456 0.003 . 1 . . . . 415 ALA HB . 7421 1 418 . 1 1 34 34 ALA HB2 H 1 1.456 0.003 . 1 . . . . 415 ALA HB . 7421 1 419 . 1 1 34 34 ALA HB3 H 1 1.456 0.003 . 1 . . . . 415 ALA HB . 7421 1 420 . 1 1 34 34 ALA C C 13 175.664 0.006 . 1 . . . . 415 ALA C . 7421 1 421 . 1 1 34 34 ALA CA C 13 50.683 0.020 . 1 . . . . 415 ALA CA . 7421 1 422 . 1 1 34 34 ALA CB C 13 20.391 0.051 . 1 . . . . 415 ALA CB . 7421 1 423 . 1 1 34 34 ALA N N 15 132.039 0.037 . 1 . . . . 415 ALA N . 7421 1 424 . 1 1 35 35 CYS H H 1 8.790 0.002 . 1 . . . . 416 CYS H . 7421 1 425 . 1 1 35 35 CYS HA H 1 4.944 0.002 . 1 . . . . 416 CYS HA . 7421 1 426 . 1 1 35 35 CYS HB2 H 1 2.734 0.003 . 2 . . . . 416 CYS HB2 . 7421 1 427 . 1 1 35 35 CYS HB3 H 1 2.982 0.003 . 2 . . . . 416 CYS HB3 . 7421 1 428 . 1 1 35 35 CYS C C 13 174.394 0.003 . 1 . . . . 416 CYS C . 7421 1 429 . 1 1 35 35 CYS CA C 13 53.295 0.062 . 1 . . . . 416 CYS CA . 7421 1 430 . 1 1 35 35 CYS CB C 13 41.353 0.032 . 1 . . . . 416 CYS CB . 7421 1 431 . 1 1 35 35 CYS N N 15 120.815 0.015 . 1 . . . . 416 CYS N . 7421 1 432 . 1 1 36 36 HIS H H 1 8.392 0.005 . 1 . . . . 417 HIS H . 7421 1 433 . 1 1 36 36 HIS HA H 1 4.518 0.002 . 1 . . . . 417 HIS HA . 7421 1 434 . 1 1 36 36 HIS HB2 H 1 2.559 0.002 . 2 . . . . 417 HIS HB2 . 7421 1 435 . 1 1 36 36 HIS HB3 H 1 3.114 0.001 . 2 . . . . 417 HIS HB3 . 7421 1 436 . 1 1 36 36 HIS HE1 H 1 8.199 0.000 . 1 . . . . 417 HIS HE1 . 7421 1 437 . 1 1 36 36 HIS CA C 13 53.159 0.035 . 1 . . . . 417 HIS CA . 7421 1 438 . 1 1 36 36 HIS CB C 13 27.936 0.121 . 1 . . . . 417 HIS CB . 7421 1 439 . 1 1 36 36 HIS CE1 C 13 137.518 0.000 . 1 . . . . 417 HIS CE1 . 7421 1 440 . 1 1 36 36 HIS N N 15 119.484 0.033 . 1 . . . . 417 HIS N . 7421 1 441 . 1 1 37 37 PRO HA H 1 4.515 0.002 . 1 . . . . 418 PRO HA . 7421 1 442 . 1 1 37 37 PRO HB2 H 1 1.919 0.002 . 2 . . . . 418 PRO HB2 . 7421 1 443 . 1 1 37 37 PRO HB3 H 1 2.396 0.004 . 2 . . . . 418 PRO HB3 . 7421 1 444 . 1 1 37 37 PRO HD2 H 1 3.528 0.003 . 2 . . . . 418 PRO HD2 . 7421 1 445 . 1 1 37 37 PRO HD3 H 1 4.007 0.002 . 2 . . . . 418 PRO HD3 . 7421 1 446 . 1 1 37 37 PRO HG2 H 1 2.170 0.013 . 2 . . . . 418 PRO HG2 . 7421 1 447 . 1 1 37 37 PRO HG3 H 1 2.192 0.008 . 2 . . . . 418 PRO HG3 . 7421 1 448 . 1 1 37 37 PRO C C 13 177.729 0.000 . 1 . . . . 418 PRO C . 7421 1 449 . 1 1 37 37 PRO CA C 13 64.550 0.051 . 1 . . . . 418 PRO CA . 7421 1 450 . 1 1 37 37 PRO CB C 13 31.665 0.046 . 1 . . . . 418 PRO CB . 7421 1 451 . 1 1 37 37 PRO CD C 13 50.170 0.031 . 1 . . . . 418 PRO CD . 7421 1 452 . 1 1 37 37 PRO CG C 13 28.070 0.016 . 1 . . . . 418 PRO CG . 7421 1 453 . 1 1 38 38 GLY H H 1 8.934 0.003 . 1 . . . . 419 GLY H . 7421 1 454 . 1 1 38 38 GLY HA2 H 1 3.519 0.003 . 2 . . . . 419 GLY HA2 . 7421 1 455 . 1 1 38 38 GLY HA3 H 1 4.230 0.003 . 2 . . . . 419 GLY HA3 . 7421 1 456 . 1 1 38 38 GLY C C 13 173.280 0.002 . 1 . . . . 419 GLY C . 7421 1 457 . 1 1 38 38 GLY CA C 13 44.947 0.025 . 1 . . . . 419 GLY CA . 7421 1 458 . 1 1 38 38 GLY N N 15 112.634 0.013 . 1 . . . . 419 GLY N . 7421 1 459 . 1 1 39 39 TYR H H 1 8.557 0.004 . 1 . . . . 420 TYR H . 7421 1 460 . 1 1 39 39 TYR HA H 1 5.221 0.001 . 1 . . . . 420 TYR HA . 7421 1 461 . 1 1 39 39 TYR HB2 H 1 2.440 0.003 . 2 . . . . 420 TYR HB2 . 7421 1 462 . 1 1 39 39 TYR HB3 H 1 3.298 0.003 . 2 . . . . 420 TYR HB3 . 7421 1 463 . 1 1 39 39 TYR HD1 H 1 6.694 0.002 . 1 . . . . 420 TYR HD . 7421 1 464 . 1 1 39 39 TYR HD2 H 1 6.694 0.002 . 1 . . . . 420 TYR HD . 7421 1 465 . 1 1 39 39 TYR HE1 H 1 6.685 0.002 . 1 . . . . 420 TYR HE . 7421 1 466 . 1 1 39 39 TYR HE2 H 1 6.685 0.002 . 1 . . . . 420 TYR HE . 7421 1 467 . 1 1 39 39 TYR C C 13 174.428 0.000 . 1 . . . . 420 TYR C . 7421 1 468 . 1 1 39 39 TYR CA C 13 56.694 0.059 . 1 . . . . 420 TYR CA . 7421 1 469 . 1 1 39 39 TYR CB C 13 42.100 0.060 . 1 . . . . 420 TYR CB . 7421 1 470 . 1 1 39 39 TYR CD1 C 13 133.105 0.046 . 1 . . . . 420 TYR CD . 7421 1 471 . 1 1 39 39 TYR CD2 C 13 133.105 0.046 . 1 . . . . 420 TYR CD . 7421 1 472 . 1 1 39 39 TYR CE1 C 13 118.032 0.048 . 1 . . . . 420 TYR CE . 7421 1 473 . 1 1 39 39 TYR CE2 C 13 118.032 0.048 . 1 . . . . 420 TYR CE . 7421 1 474 . 1 1 39 39 TYR N N 15 119.747 0.014 . 1 . . . . 420 TYR N . 7421 1 475 . 1 1 40 40 ALA H H 1 9.252 0.005 . 1 . . . . 421 ALA H . 7421 1 476 . 1 1 40 40 ALA HA H 1 4.506 0.003 . 1 . . . . 421 ALA HA . 7421 1 477 . 1 1 40 40 ALA HB1 H 1 1.413 0.003 . 1 . . . . 421 ALA HB . 7421 1 478 . 1 1 40 40 ALA HB2 H 1 1.413 0.003 . 1 . . . . 421 ALA HB . 7421 1 479 . 1 1 40 40 ALA HB3 H 1 1.413 0.003 . 1 . . . . 421 ALA HB . 7421 1 480 . 1 1 40 40 ALA C C 13 176.975 0.001 . 1 . . . . 421 ALA C . 7421 1 481 . 1 1 40 40 ALA CA C 13 52.596 0.033 . 1 . . . . 421 ALA CA . 7421 1 482 . 1 1 40 40 ALA CB C 13 23.089 0.082 . 1 . . . . 421 ALA CB . 7421 1 483 . 1 1 40 40 ALA N N 15 121.053 0.014 . 1 . . . . 421 ALA N . 7421 1 484 . 1 1 41 41 LEU H H 1 8.385 0.002 . 1 . . . . 422 LEU H . 7421 1 485 . 1 1 41 41 LEU HA H 1 5.160 0.002 . 1 . . . . 422 LEU HA . 7421 1 486 . 1 1 41 41 LEU HB2 H 1 1.524 0.004 . 2 . . . . 422 LEU HB2 . 7421 1 487 . 1 1 41 41 LEU HB3 H 1 1.840 0.003 . 2 . . . . 422 LEU HB3 . 7421 1 488 . 1 1 41 41 LEU HD11 H 1 0.700 0.002 . 2 . . . . 422 LEU HD1 . 7421 1 489 . 1 1 41 41 LEU HD12 H 1 0.700 0.002 . 2 . . . . 422 LEU HD1 . 7421 1 490 . 1 1 41 41 LEU HD13 H 1 0.700 0.002 . 2 . . . . 422 LEU HD1 . 7421 1 491 . 1 1 41 41 LEU HD21 H 1 0.741 0.003 . 2 . . . . 422 LEU HD2 . 7421 1 492 . 1 1 41 41 LEU HD22 H 1 0.741 0.003 . 2 . . . . 422 LEU HD2 . 7421 1 493 . 1 1 41 41 LEU HD23 H 1 0.741 0.003 . 2 . . . . 422 LEU HD2 . 7421 1 494 . 1 1 41 41 LEU HG H 1 1.749 0.002 . 1 . . . . 422 LEU HG . 7421 1 495 . 1 1 41 41 LEU CA C 13 54.366 0.033 . 1 . . . . 422 LEU CA . 7421 1 496 . 1 1 41 41 LEU CB C 13 41.019 0.057 . 1 . . . . 422 LEU CB . 7421 1 497 . 1 1 41 41 LEU CD1 C 13 25.744 0.025 . 2 . . . . 422 LEU CD1 . 7421 1 498 . 1 1 41 41 LEU CD2 C 13 24.983 0.010 . 2 . . . . 422 LEU CD2 . 7421 1 499 . 1 1 41 41 LEU CG C 13 28.678 0.022 . 1 . . . . 422 LEU CG . 7421 1 500 . 1 1 41 41 LEU N N 15 122.229 0.014 . 1 . . . . 422 LEU N . 7421 1 501 . 1 1 42 42 PRO HA H 1 4.330 0.003 . 1 . . . . 423 PRO HA . 7421 1 502 . 1 1 42 42 PRO HB2 H 1 1.861 0.032 . 2 . . . . 423 PRO HB2 . 7421 1 503 . 1 1 42 42 PRO HB3 H 1 2.384 0.003 . 2 . . . . 423 PRO HB3 . 7421 1 504 . 1 1 42 42 PRO HD2 H 1 3.618 0.002 . 2 . . . . 423 PRO HD2 . 7421 1 505 . 1 1 42 42 PRO HD3 H 1 4.111 0.003 . 2 . . . . 423 PRO HD3 . 7421 1 506 . 1 1 42 42 PRO HG2 H 1 1.940 0.027 . 2 . . . . 423 PRO HG2 . 7421 1 507 . 1 1 42 42 PRO HG3 H 1 2.200 0.001 . 2 . . . . 423 PRO HG3 . 7421 1 508 . 1 1 42 42 PRO C C 13 176.908 0.001 . 1 . . . . 423 PRO C . 7421 1 509 . 1 1 42 42 PRO CA C 13 63.842 0.031 . 1 . . . . 423 PRO CA . 7421 1 510 . 1 1 42 42 PRO CB C 13 31.997 0.062 . 1 . . . . 423 PRO CB . 7421 1 511 . 1 1 42 42 PRO CD C 13 50.553 0.038 . 1 . . . . 423 PRO CD . 7421 1 512 . 1 1 42 42 PRO CG C 13 28.126 0.032 . 1 . . . . 423 PRO CG . 7421 1 513 . 1 1 43 43 LYS H H 1 8.800 0.004 . 1 . . . . 424 LYS H . 7421 1 514 . 1 1 43 43 LYS HA H 1 3.965 0.003 . 1 . . . . 424 LYS HA . 7421 1 515 . 1 1 43 43 LYS HB2 H 1 1.884 0.004 . 2 . . . . 424 LYS HB2 . 7421 1 516 . 1 1 43 43 LYS HB3 H 1 2.026 0.004 . 2 . . . . 424 LYS HB3 . 7421 1 517 . 1 1 43 43 LYS HD2 H 1 1.692 0.002 . 1 . . . . 424 LYS HD2 . 7421 1 518 . 1 1 43 43 LYS HD3 H 1 1.692 0.002 . 1 . . . . 424 LYS HD3 . 7421 1 519 . 1 1 43 43 LYS HE2 H 1 2.992 0.002 . 1 . . . . 424 LYS HE2 . 7421 1 520 . 1 1 43 43 LYS HE3 H 1 2.992 0.002 . 1 . . . . 424 LYS HE3 . 7421 1 521 . 1 1 43 43 LYS HG2 H 1 1.390 0.003 . 1 . . . . 424 LYS HG2 . 7421 1 522 . 1 1 43 43 LYS HG3 H 1 1.390 0.003 . 1 . . . . 424 LYS HG3 . 7421 1 523 . 1 1 43 43 LYS C C 13 175.484 0.000 . 1 . . . . 424 LYS C . 7421 1 524 . 1 1 43 43 LYS CA C 13 57.055 0.035 . 1 . . . . 424 LYS CA . 7421 1 525 . 1 1 43 43 LYS CB C 13 30.276 0.053 . 1 . . . . 424 LYS CB . 7421 1 526 . 1 1 43 43 LYS CD C 13 29.130 0.042 . 1 . . . . 424 LYS CD . 7421 1 527 . 1 1 43 43 LYS CE C 13 42.207 0.017 . 1 . . . . 424 LYS CE . 7421 1 528 . 1 1 43 43 LYS CG C 13 25.436 0.021 . 1 . . . . 424 LYS CG . 7421 1 529 . 1 1 43 43 LYS N N 15 117.071 0.024 . 1 . . . . 424 LYS N . 7421 1 530 . 1 1 44 44 ALA H H 1 8.552 0.003 . 1 . . . . 425 ALA H . 7421 1 531 . 1 1 44 44 ALA HA H 1 4.004 0.002 . 1 . . . . 425 ALA HA . 7421 1 532 . 1 1 44 44 ALA HB1 H 1 1.430 0.003 . 1 . . . . 425 ALA HB . 7421 1 533 . 1 1 44 44 ALA HB2 H 1 1.430 0.003 . 1 . . . . 425 ALA HB . 7421 1 534 . 1 1 44 44 ALA HB3 H 1 1.430 0.003 . 1 . . . . 425 ALA HB . 7421 1 535 . 1 1 44 44 ALA C C 13 177.002 0.000 . 1 . . . . 425 ALA C . 7421 1 536 . 1 1 44 44 ALA CA C 13 53.142 0.027 . 1 . . . . 425 ALA CA . 7421 1 537 . 1 1 44 44 ALA CB C 13 16.839 0.050 . 1 . . . . 425 ALA CB . 7421 1 538 . 1 1 44 44 ALA N N 15 118.259 0.018 . 1 . . . . 425 ALA N . 7421 1 539 . 1 1 45 45 GLN H H 1 7.208 0.005 . 1 . . . . 426 GLN H . 7421 1 540 . 1 1 45 45 GLN HA H 1 4.388 0.003 . 1 . . . . 426 GLN HA . 7421 1 541 . 1 1 45 45 GLN HB2 H 1 1.956 0.003 . 2 . . . . 426 GLN HB2 . 7421 1 542 . 1 1 45 45 GLN HB3 H 1 2.235 0.003 . 2 . . . . 426 GLN HB3 . 7421 1 543 . 1 1 45 45 GLN HE21 H 1 6.993 0.001 . 2 . . . . 426 GLN HE21 . 7421 1 544 . 1 1 45 45 GLN HE22 H 1 7.566 0.006 . 2 . . . . 426 GLN HE22 . 7421 1 545 . 1 1 45 45 GLN HG2 H 1 2.465 0.002 . 2 . . . . 426 GLN HG2 . 7421 1 546 . 1 1 45 45 GLN HG3 H 1 2.465 0.002 . 2 . . . . 426 GLN HG3 . 7421 1 547 . 1 1 45 45 GLN C C 13 175.908 0.004 . 1 . . . . 426 GLN C . 7421 1 548 . 1 1 45 45 GLN CA C 13 56.206 0.037 . 1 . . . . 426 GLN CA . 7421 1 549 . 1 1 45 45 GLN CB C 13 30.103 0.045 . 1 . . . . 426 GLN CB . 7421 1 550 . 1 1 45 45 GLN CG C 13 34.765 0.022 . 1 . . . . 426 GLN CG . 7421 1 551 . 1 1 45 45 GLN N N 15 117.408 0.018 . 1 . . . . 426 GLN N . 7421 1 552 . 1 1 45 45 GLN NE2 N 15 112.685 0.021 . 1 . . . . 426 GLN NE2 . 7421 1 553 . 1 1 46 46 THR H H 1 8.717 0.003 . 1 . . . . 427 THR H . 7421 1 554 . 1 1 46 46 THR HA H 1 4.571 0.007 . 1 . . . . 427 THR HA . 7421 1 555 . 1 1 46 46 THR HB H 1 4.496 0.024 . 1 . . . . 427 THR HB . 7421 1 556 . 1 1 46 46 THR HG21 H 1 1.202 0.003 . 1 . . . . 427 THR HG2 . 7421 1 557 . 1 1 46 46 THR HG22 H 1 1.202 0.003 . 1 . . . . 427 THR HG2 . 7421 1 558 . 1 1 46 46 THR HG23 H 1 1.202 0.003 . 1 . . . . 427 THR HG2 . 7421 1 559 . 1 1 46 46 THR C C 13 174.198 0.014 . 1 . . . . 427 THR C . 7421 1 560 . 1 1 46 46 THR CA C 13 62.348 0.026 . 1 . . . . 427 THR CA . 7421 1 561 . 1 1 46 46 THR CB C 13 70.188 0.114 . 1 . . . . 427 THR CB . 7421 1 562 . 1 1 46 46 THR CG2 C 13 21.707 0.006 . 1 . . . . 427 THR CG2 . 7421 1 563 . 1 1 46 46 THR N N 15 109.715 0.011 . 1 . . . . 427 THR N . 7421 1 564 . 1 1 47 47 THR H H 1 7.470 0.003 . 1 . . . . 428 THR H . 7421 1 565 . 1 1 47 47 THR HA H 1 5.101 0.004 . 1 . . . . 428 THR HA . 7421 1 566 . 1 1 47 47 THR HB H 1 3.813 0.003 . 1 . . . . 428 THR HB . 7421 1 567 . 1 1 47 47 THR HG21 H 1 1.094 0.003 . 1 . . . . 428 THR HG2 . 7421 1 568 . 1 1 47 47 THR HG22 H 1 1.094 0.003 . 1 . . . . 428 THR HG2 . 7421 1 569 . 1 1 47 47 THR HG23 H 1 1.094 0.003 . 1 . . . . 428 THR HG2 . 7421 1 570 . 1 1 47 47 THR C C 13 173.611 0.002 . 1 . . . . 428 THR C . 7421 1 571 . 1 1 47 47 THR CA C 13 60.633 0.064 . 1 . . . . 428 THR CA . 7421 1 572 . 1 1 47 47 THR CB C 13 72.434 0.121 . 1 . . . . 428 THR CB . 7421 1 573 . 1 1 47 47 THR CG2 C 13 21.860 0.061 . 1 . . . . 428 THR CG2 . 7421 1 574 . 1 1 47 47 THR N N 15 114.968 0.015 . 1 . . . . 428 THR N . 7421 1 575 . 1 1 48 48 VAL H H 1 8.546 0.007 . 1 . . . . 429 VAL H . 7421 1 576 . 1 1 48 48 VAL HA H 1 5.019 0.002 . 1 . . . . 429 VAL HA . 7421 1 577 . 1 1 48 48 VAL HB H 1 2.186 0.004 . 1 . . . . 429 VAL HB . 7421 1 578 . 1 1 48 48 VAL HG11 H 1 0.385 0.002 . 2 . . . . 429 VAL HG1 . 7421 1 579 . 1 1 48 48 VAL HG12 H 1 0.385 0.002 . 2 . . . . 429 VAL HG1 . 7421 1 580 . 1 1 48 48 VAL HG13 H 1 0.385 0.002 . 2 . . . . 429 VAL HG1 . 7421 1 581 . 1 1 48 48 VAL HG21 H 1 0.561 0.003 . 2 . . . . 429 VAL HG2 . 7421 1 582 . 1 1 48 48 VAL HG22 H 1 0.561 0.003 . 2 . . . . 429 VAL HG2 . 7421 1 583 . 1 1 48 48 VAL HG23 H 1 0.561 0.003 . 2 . . . . 429 VAL HG2 . 7421 1 584 . 1 1 48 48 VAL C C 13 174.984 0.003 . 1 . . . . 429 VAL C . 7421 1 585 . 1 1 48 48 VAL CA C 13 59.404 0.066 . 1 . . . . 429 VAL CA . 7421 1 586 . 1 1 48 48 VAL CB C 13 34.293 0.089 . 1 . . . . 429 VAL CB . 7421 1 587 . 1 1 48 48 VAL CG1 C 13 19.672 0.027 . 2 . . . . 429 VAL CG1 . 7421 1 588 . 1 1 48 48 VAL CG2 C 13 23.102 0.025 . 2 . . . . 429 VAL CG2 . 7421 1 589 . 1 1 48 48 VAL N N 15 113.997 0.025 . 1 . . . . 429 VAL N . 7421 1 590 . 1 1 49 49 THR H H 1 8.535 0.004 . 1 . . . . 430 THR H . 7421 1 591 . 1 1 49 49 THR HA H 1 5.290 0.003 . 1 . . . . 430 THR HA . 7421 1 592 . 1 1 49 49 THR HB H 1 3.898 0.002 . 1 . . . . 430 THR HB . 7421 1 593 . 1 1 49 49 THR HG21 H 1 1.045 0.003 . 1 . . . . 430 THR HG2 . 7421 1 594 . 1 1 49 49 THR HG22 H 1 1.045 0.003 . 1 . . . . 430 THR HG2 . 7421 1 595 . 1 1 49 49 THR HG23 H 1 1.045 0.003 . 1 . . . . 430 THR HG2 . 7421 1 596 . 1 1 49 49 THR C C 13 173.825 0.004 . 1 . . . . 430 THR C . 7421 1 597 . 1 1 49 49 THR CA C 13 61.778 0.044 . 1 . . . . 430 THR CA . 7421 1 598 . 1 1 49 49 THR CB C 13 71.716 0.087 . 1 . . . . 430 THR CB . 7421 1 599 . 1 1 49 49 THR CG2 C 13 21.339 0.045 . 1 . . . . 430 THR CG2 . 7421 1 600 . 1 1 49 49 THR N N 15 117.353 0.016 . 1 . . . . 430 THR N . 7421 1 601 . 1 1 50 50 CYS H H 1 8.796 0.010 . 1 . . . . 431 CYS H . 7421 1 602 . 1 1 50 50 CYS HA H 1 3.901 0.003 . 1 . . . . 431 CYS HA . 7421 1 603 . 1 1 50 50 CYS HB2 H 1 1.909 0.003 . 2 . . . . 431 CYS HB2 . 7421 1 604 . 1 1 50 50 CYS HB3 H 1 2.641 0.001 . 2 . . . . 431 CYS HB3 . 7421 1 605 . 1 1 50 50 CYS C C 13 172.227 0.001 . 1 . . . . 431 CYS C . 7421 1 606 . 1 1 50 50 CYS CA C 13 54.627 0.030 . 1 . . . . 431 CYS CA . 7421 1 607 . 1 1 50 50 CYS CB C 13 35.238 0.056 . 1 . . . . 431 CYS CB . 7421 1 608 . 1 1 50 50 CYS N N 15 127.013 0.107 . 1 . . . . 431 CYS N . 7421 1 609 . 1 1 51 51 MET H H 1 7.893 0.006 . 1 . . . . 432 MET H . 7421 1 610 . 1 1 51 51 MET HA H 1 4.890 0.004 . 1 . . . . 432 MET HA . 7421 1 611 . 1 1 51 51 MET HB2 H 1 2.541 0.015 . 2 . . . . 432 MET HB2 . 7421 1 612 . 1 1 51 51 MET HB3 H 1 2.627 0.018 . 2 . . . . 432 MET HB3 . 7421 1 613 . 1 1 51 51 MET HG2 H 1 2.280 0.009 . 2 . . . . 432 MET HG2 . 7421 1 614 . 1 1 51 51 MET HG3 H 1 2.303 0.010 . 2 . . . . 432 MET HG3 . 7421 1 615 . 1 1 51 51 MET C C 13 176.511 0.009 . 1 . . . . 432 MET C . 7421 1 616 . 1 1 51 51 MET CA C 13 53.529 0.025 . 1 . . . . 432 MET CA . 7421 1 617 . 1 1 51 51 MET CB C 13 32.911 0.052 . 1 . . . . 432 MET CB . 7421 1 618 . 1 1 51 51 MET CG C 13 33.158 0.049 . 1 . . . . 432 MET CG . 7421 1 619 . 1 1 51 51 MET N N 15 130.195 0.015 . 1 . . . . 432 MET N . 7421 1 620 . 1 1 52 52 GLU H H 1 8.897 0.007 . 1 . . . . 433 GLU H . 7421 1 621 . 1 1 52 52 GLU HA H 1 3.740 0.002 . 1 . . . . 433 GLU HA . 7421 1 622 . 1 1 52 52 GLU HB2 H 1 1.905 0.002 . 2 . . . . 433 GLU HB2 . 7421 1 623 . 1 1 52 52 GLU HB3 H 1 2.028 0.002 . 2 . . . . 433 GLU HB3 . 7421 1 624 . 1 1 52 52 GLU HG2 H 1 2.217 0.012 . 1 . . . . 433 GLU HG2 . 7421 1 625 . 1 1 52 52 GLU HG3 H 1 2.217 0.012 . 1 . . . . 433 GLU HG3 . 7421 1 626 . 1 1 52 52 GLU C C 13 176.676 0.002 . 1 . . . . 433 GLU C . 7421 1 627 . 1 1 52 52 GLU CA C 13 60.041 0.052 . 1 . . . . 433 GLU CA . 7421 1 628 . 1 1 52 52 GLU CB C 13 29.152 0.046 . 1 . . . . 433 GLU CB . 7421 1 629 . 1 1 52 52 GLU CG C 13 35.681 0.050 . 1 . . . . 433 GLU CG . 7421 1 630 . 1 1 52 52 GLU N N 15 120.339 0.026 . 1 . . . . 433 GLU N . 7421 1 631 . 1 1 53 53 ASN H H 1 8.025 0.002 . 1 . . . . 434 ASN H . 7421 1 632 . 1 1 53 53 ASN HA H 1 4.874 0.001 . 1 . . . . 434 ASN HA . 7421 1 633 . 1 1 53 53 ASN HB2 H 1 2.781 0.015 . 2 . . . . 434 ASN HB2 . 7421 1 634 . 1 1 53 53 ASN HB3 H 1 2.823 0.012 . 2 . . . . 434 ASN HB3 . 7421 1 635 . 1 1 53 53 ASN HD21 H 1 6.840 0.000 . 2 . . . . 434 ASN HD21 . 7421 1 636 . 1 1 53 53 ASN HD22 H 1 7.566 0.006 . 2 . . . . 434 ASN HD22 . 7421 1 637 . 1 1 53 53 ASN C C 13 174.568 0.001 . 1 . . . . 434 ASN C . 7421 1 638 . 1 1 53 53 ASN CA C 13 52.134 0.046 . 1 . . . . 434 ASN CA . 7421 1 639 . 1 1 53 53 ASN CB C 13 38.350 0.103 . 1 . . . . 434 ASN CB . 7421 1 640 . 1 1 53 53 ASN N N 15 112.693 0.018 . 1 . . . . 434 ASN N . 7421 1 641 . 1 1 53 53 ASN ND2 N 15 112.748 0.006 . 1 . . . . 434 ASN ND2 . 7421 1 642 . 1 1 54 54 GLY H H 1 7.445 0.004 . 1 . . . . 435 GLY H . 7421 1 643 . 1 1 54 54 GLY HA2 H 1 3.451 0.003 . 2 . . . . 435 GLY HA2 . 7421 1 644 . 1 1 54 54 GLY HA3 H 1 4.549 0.003 . 2 . . . . 435 GLY HA3 . 7421 1 645 . 1 1 54 54 GLY C C 13 173.836 0.020 . 1 . . . . 435 GLY C . 7421 1 646 . 1 1 54 54 GLY CA C 13 43.676 0.019 . 1 . . . . 435 GLY CA . 7421 1 647 . 1 1 54 54 GLY N N 15 107.927 0.007 . 1 . . . . 435 GLY N . 7421 1 648 . 1 1 55 55 TRP H H 1 8.094 0.004 . 1 . . . . 436 TRP H . 7421 1 649 . 1 1 55 55 TRP HA H 1 4.798 0.004 . 1 . . . . 436 TRP HA . 7421 1 650 . 1 1 55 55 TRP HB2 H 1 2.931 0.003 . 2 . . . . 436 TRP HB2 . 7421 1 651 . 1 1 55 55 TRP HB3 H 1 3.230 0.003 . 2 . . . . 436 TRP HB3 . 7421 1 652 . 1 1 55 55 TRP HD1 H 1 7.403 0.002 . 1 . . . . 436 TRP HD1 . 7421 1 653 . 1 1 55 55 TRP HE1 H 1 9.609 0.003 . 1 . . . . 436 TRP HE1 . 7421 1 654 . 1 1 55 55 TRP HE3 H 1 7.170 0.002 . 1 . . . . 436 TRP HE3 . 7421 1 655 . 1 1 55 55 TRP HZ2 H 1 7.113 0.002 . 1 . . . . 436 TRP HZ2 . 7421 1 656 . 1 1 55 55 TRP HZ3 H 1 6.782 0.003 . 1 . . . . 436 TRP HZ3 . 7421 1 657 . 1 1 55 55 TRP C C 13 177.406 0.000 . 1 . . . . 436 TRP C . 7421 1 658 . 1 1 55 55 TRP CA C 13 57.449 0.051 . 1 . . . . 436 TRP CA . 7421 1 659 . 1 1 55 55 TRP CB C 13 31.778 0.057 . 1 . . . . 436 TRP CB . 7421 1 660 . 1 1 55 55 TRP CD1 C 13 127.165 0.020 . 1 . . . . 436 TRP CD1 . 7421 1 661 . 1 1 55 55 TRP CE3 C 13 121.040 0.030 . 1 . . . . 436 TRP CE3 . 7421 1 662 . 1 1 55 55 TRP CZ2 C 13 113.710 0.057 . 1 . . . . 436 TRP CZ2 . 7421 1 663 . 1 1 55 55 TRP CZ3 C 13 123.096 0.034 . 1 . . . . 436 TRP CZ3 . 7421 1 664 . 1 1 55 55 TRP N N 15 120.632 0.053 . 1 . . . . 436 TRP N . 7421 1 665 . 1 1 55 55 TRP NE1 N 15 127.211 0.010 . 1 . . . . 436 TRP NE1 . 7421 1 666 . 1 1 56 56 SER H H 1 9.229 0.003 . 1 . . . . 437 SER H . 7421 1 667 . 1 1 56 56 SER HA H 1 4.781 0.001 . 1 . . . . 437 SER HA . 7421 1 668 . 1 1 56 56 SER HB2 H 1 3.717 0.012 . 2 . . . . 437 SER HB2 . 7421 1 669 . 1 1 56 56 SER HB3 H 1 3.840 0.004 . 2 . . . . 437 SER HB3 . 7421 1 670 . 1 1 56 56 SER CA C 13 55.076 0.034 . 1 . . . . 437 SER CA . 7421 1 671 . 1 1 56 56 SER CB C 13 65.824 0.060 . 1 . . . . 437 SER CB . 7421 1 672 . 1 1 56 56 SER N N 15 116.423 0.014 . 1 . . . . 437 SER N . 7421 1 673 . 1 1 57 57 PRO HA H 1 4.992 0.001 . 1 . . . . 438 PRO HA . 7421 1 674 . 1 1 57 57 PRO HB2 H 1 2.194 0.002 . 2 . . . . 438 PRO HB2 . 7421 1 675 . 1 1 57 57 PRO HB3 H 1 2.483 0.006 . 2 . . . . 438 PRO HB3 . 7421 1 676 . 1 1 57 57 PRO HD2 H 1 3.501 0.002 . 2 . . . . 438 PRO HD2 . 7421 1 677 . 1 1 57 57 PRO HD3 H 1 4.195 0.003 . 2 . . . . 438 PRO HD3 . 7421 1 678 . 1 1 57 57 PRO HG2 H 1 1.538 0.005 . 2 . . . . 438 PRO HG2 . 7421 1 679 . 1 1 57 57 PRO HG3 H 1 1.915 0.005 . 2 . . . . 438 PRO HG3 . 7421 1 680 . 1 1 57 57 PRO C C 13 174.012 0.002 . 1 . . . . 438 PRO C . 7421 1 681 . 1 1 57 57 PRO CA C 13 63.737 0.032 . 1 . . . . 438 PRO CA . 7421 1 682 . 1 1 57 57 PRO CB C 13 34.520 0.055 . 1 . . . . 438 PRO CB . 7421 1 683 . 1 1 57 57 PRO CD C 13 49.661 0.042 . 1 . . . . 438 PRO CD . 7421 1 684 . 1 1 57 57 PRO CG C 13 24.959 0.022 . 1 . . . . 438 PRO CG . 7421 1 685 . 1 1 58 58 THR H H 1 8.154 0.003 . 1 . . . . 439 THR H . 7421 1 686 . 1 1 58 58 THR HA H 1 4.193 0.002 . 1 . . . . 439 THR HA . 7421 1 687 . 1 1 58 58 THR HB H 1 3.913 0.003 . 1 . . . . 439 THR HB . 7421 1 688 . 1 1 58 58 THR HG21 H 1 1.151 0.004 . 1 . . . . 439 THR HG2 . 7421 1 689 . 1 1 58 58 THR HG22 H 1 1.151 0.004 . 1 . . . . 439 THR HG2 . 7421 1 690 . 1 1 58 58 THR HG23 H 1 1.151 0.004 . 1 . . . . 439 THR HG2 . 7421 1 691 . 1 1 58 58 THR CA C 13 61.756 0.032 . 1 . . . . 439 THR CA . 7421 1 692 . 1 1 58 58 THR CB C 13 70.007 0.031 . 1 . . . . 439 THR CB . 7421 1 693 . 1 1 58 58 THR CG2 C 13 21.391 0.024 . 1 . . . . 439 THR CG2 . 7421 1 694 . 1 1 58 58 THR N N 15 113.363 0.027 . 1 . . . . 439 THR N . 7421 1 695 . 1 1 59 59 PRO HA H 1 4.003 0.003 . 1 . . . . 440 PRO HA . 7421 1 696 . 1 1 59 59 PRO HB2 H 1 1.381 0.003 . 2 . . . . 440 PRO HB2 . 7421 1 697 . 1 1 59 59 PRO HB3 H 1 1.528 0.003 . 2 . . . . 440 PRO HB3 . 7421 1 698 . 1 1 59 59 PRO HD2 H 1 3.446 0.002 . 2 . . . . 440 PRO HD2 . 7421 1 699 . 1 1 59 59 PRO HD3 H 1 3.707 0.003 . 2 . . . . 440 PRO HD3 . 7421 1 700 . 1 1 59 59 PRO HG2 H 1 0.780 0.006 . 2 . . . . 440 PRO HG2 . 7421 1 701 . 1 1 59 59 PRO HG3 H 1 1.145 0.005 . 2 . . . . 440 PRO HG3 . 7421 1 702 . 1 1 59 59 PRO C C 13 172.924 0.000 . 1 . . . . 440 PRO C . 7421 1 703 . 1 1 59 59 PRO CA C 13 61.974 0.026 . 1 . . . . 440 PRO CA . 7421 1 704 . 1 1 59 59 PRO CB C 13 29.961 0.062 . 1 . . . . 440 PRO CB . 7421 1 705 . 1 1 59 59 PRO CD C 13 50.454 0.060 . 1 . . . . 440 PRO CD . 7421 1 706 . 1 1 59 59 PRO CG C 13 27.106 0.048 . 1 . . . . 440 PRO CG . 7421 1 707 . 1 1 60 60 ARG H H 1 6.891 0.007 . 1 . . . . 441 ARG H . 7421 1 708 . 1 1 60 60 ARG HA H 1 4.145 0.003 . 1 . . . . 441 ARG HA . 7421 1 709 . 1 1 60 60 ARG HB2 H 1 1.575 0.006 . 2 . . . . 441 ARG HB2 . 7421 1 710 . 1 1 60 60 ARG HB3 H 1 1.694 0.002 . 2 . . . . 441 ARG HB3 . 7421 1 711 . 1 1 60 60 ARG HD2 H 1 3.097 0.002 . 1 . . . . 441 ARG HD2 . 7421 1 712 . 1 1 60 60 ARG HD3 H 1 3.097 0.002 . 1 . . . . 441 ARG HD3 . 7421 1 713 . 1 1 60 60 ARG HE H 1 7.214 0.002 . 1 . . . . 441 ARG HE . 7421 1 714 . 1 1 60 60 ARG HG2 H 1 1.416 0.003 . 1 . . . . 441 ARG HG2 . 7421 1 715 . 1 1 60 60 ARG HG3 H 1 1.416 0.003 . 1 . . . . 441 ARG HG3 . 7421 1 716 . 1 1 60 60 ARG CA C 13 55.730 0.061 . 1 . . . . 441 ARG CA . 7421 1 717 . 1 1 60 60 ARG CB C 13 32.643 0.076 . 1 . . . . 441 ARG CB . 7421 1 718 . 1 1 60 60 ARG CD C 13 43.699 0.013 . 1 . . . . 441 ARG CD . 7421 1 719 . 1 1 60 60 ARG CG C 13 26.661 0.033 . 1 . . . . 441 ARG CG . 7421 1 720 . 1 1 60 60 ARG CZ C 13 170.973 0.005 . 1 . . . . 441 ARG CZ . 7421 1 721 . 1 1 60 60 ARG N N 15 123.211 0.067 . 1 . . . . 441 ARG N . 7421 1 722 . 1 1 60 60 ARG NE N 15 84.662 0.017 . 1 . . . . 441 ARG NE . 7421 1 723 . 1 1 61 61 CYS HA H 1 4.637 0.003 . 1 . . . . 442 CYS HA . 7421 1 724 . 1 1 61 61 CYS HB2 H 1 2.514 0.003 . 2 . . . . 442 CYS HB2 . 7421 1 725 . 1 1 61 61 CYS HB3 H 1 2.796 0.002 . 2 . . . . 442 CYS HB3 . 7421 1 726 . 1 1 61 61 CYS C C 13 173.924 0.000 . 1 . . . . 442 CYS C . 7421 1 727 . 1 1 61 61 CYS CA C 13 54.474 0.002 . 1 . . . . 442 CYS CA . 7421 1 728 . 1 1 61 61 CYS CB C 13 41.738 0.111 . 1 . . . . 442 CYS CB . 7421 1 729 . 1 1 62 62 ILE H H 1 9.190 0.006 . 1 . . . . 443 ILE H . 7421 1 730 . 1 1 62 62 ILE HA H 1 4.711 0.001 . 1 . . . . 443 ILE HA . 7421 1 731 . 1 1 62 62 ILE HB H 1 1.975 0.003 . 1 . . . . 443 ILE HB . 7421 1 732 . 1 1 62 62 ILE HD11 H 1 0.835 0.002 . 1 . . . . 443 ILE HD1 . 7421 1 733 . 1 1 62 62 ILE HD12 H 1 0.835 0.002 . 1 . . . . 443 ILE HD1 . 7421 1 734 . 1 1 62 62 ILE HD13 H 1 0.835 0.002 . 1 . . . . 443 ILE HD1 . 7421 1 735 . 1 1 62 62 ILE HG12 H 1 1.138 0.001 . 2 . . . . 443 ILE HG12 . 7421 1 736 . 1 1 62 62 ILE HG13 H 1 1.428 0.000 . 2 . . . . 443 ILE HG13 . 7421 1 737 . 1 1 62 62 ILE HG21 H 1 0.943 0.005 . 1 . . . . 443 ILE HG2 . 7421 1 738 . 1 1 62 62 ILE HG22 H 1 0.943 0.005 . 1 . . . . 443 ILE HG2 . 7421 1 739 . 1 1 62 62 ILE HG23 H 1 0.943 0.005 . 1 . . . . 443 ILE HG2 . 7421 1 740 . 1 1 62 62 ILE C C 13 175.714 0.009 . 1 . . . . 443 ILE C . 7421 1 741 . 1 1 62 62 ILE CA C 13 59.307 0.011 . 1 . . . . 443 ILE CA . 7421 1 742 . 1 1 62 62 ILE CB C 13 40.876 0.017 . 1 . . . . 443 ILE CB . 7421 1 743 . 1 1 62 62 ILE CD1 C 13 13.606 0.025 . 1 . . . . 443 ILE CD1 . 7421 1 744 . 1 1 62 62 ILE CG1 C 13 26.494 0.023 . 1 . . . . 443 ILE CG1 . 7421 1 745 . 1 1 62 62 ILE CG2 C 13 18.058 0.025 . 1 . . . . 443 ILE CG2 . 7421 1 746 . 1 1 62 62 ILE N N 15 122.680 0.017 . 1 . . . . 443 ILE N . 7421 1 747 . 1 1 63 63 ARG H H 1 8.741 0.002 . 1 . . . . 444 ARG H . 7421 1 748 . 1 1 63 63 ARG HA H 1 3.603 0.004 . 1 . . . . 444 ARG HA . 7421 1 749 . 1 1 63 63 ARG HB2 H 1 1.479 0.004 . 2 . . . . 444 ARG HB2 . 7421 1 750 . 1 1 63 63 ARG HB3 H 1 1.663 0.004 . 2 . . . . 444 ARG HB3 . 7421 1 751 . 1 1 63 63 ARG HD2 H 1 2.829 0.003 . 1 . . . . 444 ARG HD2 . 7421 1 752 . 1 1 63 63 ARG HD3 H 1 2.829 0.003 . 1 . . . . 444 ARG HD3 . 7421 1 753 . 1 1 63 63 ARG HE H 1 7.067 0.002 . 1 . . . . 444 ARG HE . 7421 1 754 . 1 1 63 63 ARG HG2 H 1 1.240 0.002 . 2 . . . . 444 ARG HG2 . 7421 1 755 . 1 1 63 63 ARG HG3 H 1 1.349 0.007 . 2 . . . . 444 ARG HG3 . 7421 1 756 . 1 1 63 63 ARG C C 13 176.771 0.000 . 1 . . . . 444 ARG C . 7421 1 757 . 1 1 63 63 ARG CA C 13 57.038 0.037 . 1 . . . . 444 ARG CA . 7421 1 758 . 1 1 63 63 ARG CB C 13 30.195 0.027 . 1 . . . . 444 ARG CB . 7421 1 759 . 1 1 63 63 ARG CD C 13 43.036 0.056 . 1 . . . . 444 ARG CD . 7421 1 760 . 1 1 63 63 ARG CG C 13 27.101 0.051 . 1 . . . . 444 ARG CG . 7421 1 761 . 1 1 63 63 ARG CZ C 13 170.904 0.021 . 1 . . . . 444 ARG CZ . 7421 1 762 . 1 1 63 63 ARG N N 15 125.835 0.028 . 1 . . . . 444 ARG N . 7421 1 763 . 1 1 63 63 ARG NE N 15 84.946 0.011 . 1 . . . . 444 ARG NE . 7421 1 764 . 1 1 64 64 VAL H H 1 8.148 0.005 . 1 . . . . 445 VAL H . 7421 1 765 . 1 1 64 64 VAL HA H 1 3.994 0.002 . 1 . . . . 445 VAL HA . 7421 1 766 . 1 1 64 64 VAL HB H 1 1.918 0.004 . 1 . . . . 445 VAL HB . 7421 1 767 . 1 1 64 64 VAL HG11 H 1 0.740 0.017 . 2 . . . . 445 VAL HG1 . 7421 1 768 . 1 1 64 64 VAL HG12 H 1 0.740 0.017 . 2 . . . . 445 VAL HG1 . 7421 1 769 . 1 1 64 64 VAL HG13 H 1 0.740 0.017 . 2 . . . . 445 VAL HG1 . 7421 1 770 . 1 1 64 64 VAL HG21 H 1 0.826 0.012 . 2 . . . . 445 VAL HG2 . 7421 1 771 . 1 1 64 64 VAL HG22 H 1 0.826 0.012 . 2 . . . . 445 VAL HG2 . 7421 1 772 . 1 1 64 64 VAL HG23 H 1 0.826 0.012 . 2 . . . . 445 VAL HG2 . 7421 1 773 . 1 1 64 64 VAL C C 13 175.114 0.001 . 1 . . . . 445 VAL C . 7421 1 774 . 1 1 64 64 VAL CA C 13 62.680 0.029 . 1 . . . . 445 VAL CA . 7421 1 775 . 1 1 64 64 VAL CB C 13 32.553 0.063 . 1 . . . . 445 VAL CB . 7421 1 776 . 1 1 64 64 VAL CG1 C 13 20.428 0.049 . 2 . . . . 445 VAL CG1 . 7421 1 777 . 1 1 64 64 VAL CG2 C 13 21.416 0.041 . 2 . . . . 445 VAL CG2 . 7421 1 778 . 1 1 64 64 VAL N N 15 124.652 0.014 . 1 . . . . 445 VAL N . 7421 1 779 . 1 1 65 65 LYS H H 1 7.737 0.003 . 1 . . . . 446 LYS H . 7421 1 780 . 1 1 65 65 LYS HA H 1 4.102 0.002 . 1 . . . . 446 LYS HA . 7421 1 781 . 1 1 65 65 LYS HB2 H 1 1.637 0.009 . 2 . . . . 446 LYS HB2 . 7421 1 782 . 1 1 65 65 LYS HB3 H 1 1.726 0.007 . 2 . . . . 446 LYS HB3 . 7421 1 783 . 1 1 65 65 LYS HD2 H 1 1.629 0.006 . 1 . . . . 446 LYS HD2 . 7421 1 784 . 1 1 65 65 LYS HD3 H 1 1.629 0.006 . 1 . . . . 446 LYS HD3 . 7421 1 785 . 1 1 65 65 LYS HE2 H 1 2.946 0.001 . 1 . . . . 446 LYS HE2 . 7421 1 786 . 1 1 65 65 LYS HE3 H 1 2.946 0.001 . 1 . . . . 446 LYS HE3 . 7421 1 787 . 1 1 65 65 LYS HG2 H 1 1.322 0.003 . 1 . . . . 446 LYS HG2 . 7421 1 788 . 1 1 65 65 LYS HG3 H 1 1.322 0.003 . 1 . . . . 446 LYS HG3 . 7421 1 789 . 1 1 65 65 LYS CA C 13 57.720 0.010 . 1 . . . . 446 LYS CA . 7421 1 790 . 1 1 65 65 LYS CB C 13 33.983 0.041 . 1 . . . . 446 LYS CB . 7421 1 791 . 1 1 65 65 LYS CD C 13 29.224 0.011 . 1 . . . . 446 LYS CD . 7421 1 792 . 1 1 65 65 LYS CE C 13 42.149 0.014 . 1 . . . . 446 LYS CE . 7421 1 793 . 1 1 65 65 LYS CG C 13 24.705 0.014 . 1 . . . . 446 LYS CG . 7421 1 794 . 1 1 65 65 LYS N N 15 128.717 0.033 . 1 . . . . 446 LYS N . 7421 1 stop_ save_