data_34503 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34503 _Entry.Title ; Second EH domain of AtEH1/Pan1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-25 _Entry.Accession_date 2020-03-25 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 K. Yperman K. . . . 34503 2 A. Papageorgiou A. . . . 34503 3 T. Evangelidis T. . . . 34503 4 D. 'Van Damme' D. . . . 34503 5 K. Tripsianes K. . . . 34503 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Adaptor protein' . 34503 'Calcium binding' . 34503 EF-hand . 34503 'EH domain' . 34503 'LIPID BINDING PROTEIN' . 34503 'lipid binding' . 34503 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34503 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 34503 '15N chemical shifts' 110 34503 '1H chemical shifts' 772 34503 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 . . 2021-09-12 2020-03-25 update BMRB 'update entry citation' 34503 1 . . 2021-03-26 2020-03-25 original author 'original release' 34503 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6YET 'BMRB Entry Tracking System' 34503 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34503 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34031427 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 3050 _Citation.Page_last 3050 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Klaas Yperman K. . . . 34503 1 2 Anna Papageorgiou A. C. . . 34503 1 3 Romain Merceron R. . . . 34503 1 4 Steven 'De Munck' S. . . . 34503 1 5 Yehudi Bloch Y. . . . 34503 1 6 Dominique Eeckhout D. . . . 34503 1 7 Qihang Jiang Q. . . . 34503 1 8 Pieter Tack P. . . . 34503 1 9 Rosa Grigoryan R. . . . 34503 1 10 Thomas Evangelidis T. . . . 34503 1 11 Jelle 'Van Leene' J. . . . 34503 1 12 Laszlo Vincze L. . . . 34503 1 13 Peter Vandenabeele P. . . . 34503 1 14 Frank Vanhaecke F. . . . 34503 1 15 Martin Potocky M. . . . 34503 1 16 Geert 'De Jaeger' G. . . . 34503 1 17 Savvas Savvides S. N. . . 34503 1 18 Konstantinos Tripsianes K. . . . 34503 1 19 Roman Pleskot R. . . . 34503 1 20 Daniel 'Van Damme' D. . . . 34503 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34503 _Assembly.ID 1 _Assembly.Name 'Second EH domain of ATEH1/Pan1' _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 unit_1 1 $entity_1 A A yes . . . . . . 34503 1 2 unit_2 2 $entity_CA B A no . . . . . . 34503 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34503 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GGGNNQPPWPKMKPSDVQKY TKVFMEVDSDKDGKITGEQA RNLFLSWRLPREVLKHVWEL SDQDNDTMLSLREFCISLYL MERYREGRPLPTALPSSIMF DETLLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12336.062 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID F2D10.25 common 34503 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 1 344 GLY . 34503 1 2 345 GLY . 34503 1 3 346 GLY . 34503 1 4 347 ASN . 34503 1 5 348 ASN . 34503 1 6 349 GLN . 34503 1 7 350 PRO . 34503 1 8 351 PRO . 34503 1 9 352 TRP . 34503 1 10 353 PRO . 34503 1 11 354 LYS . 34503 1 12 355 MET . 34503 1 13 356 LYS . 34503 1 14 357 PRO . 34503 1 15 358 SER . 34503 1 16 359 ASP . 34503 1 17 360 VAL . 34503 1 18 361 GLN . 34503 1 19 362 LYS . 34503 1 20 363 TYR . 34503 1 21 364 THR . 34503 1 22 365 LYS . 34503 1 23 366 VAL . 34503 1 24 367 PHE . 34503 1 25 368 MET . 34503 1 26 369 GLU . 34503 1 27 370 VAL . 34503 1 28 371 ASP . 34503 1 29 372 SER . 34503 1 30 373 ASP . 34503 1 31 374 LYS . 34503 1 32 375 ASP . 34503 1 33 376 GLY . 34503 1 34 377 LYS . 34503 1 35 378 ILE . 34503 1 36 379 THR . 34503 1 37 380 GLY . 34503 1 38 381 GLU . 34503 1 39 382 GLN . 34503 1 40 383 ALA . 34503 1 41 384 ARG . 34503 1 42 385 ASN . 34503 1 43 386 LEU . 34503 1 44 387 PHE . 34503 1 45 388 LEU . 34503 1 46 389 SER . 34503 1 47 390 TRP . 34503 1 48 391 ARG . 34503 1 49 392 LEU . 34503 1 50 393 PRO . 34503 1 51 394 ARG . 34503 1 52 395 GLU . 34503 1 53 396 VAL . 34503 1 54 397 LEU . 34503 1 55 398 LYS . 34503 1 56 399 HIS . 34503 1 57 400 VAL . 34503 1 58 401 TRP . 34503 1 59 402 GLU . 34503 1 60 403 LEU . 34503 1 61 404 SER . 34503 1 62 405 ASP . 34503 1 63 406 GLN . 34503 1 64 407 ASP . 34503 1 65 408 ASN . 34503 1 66 409 ASP . 34503 1 67 410 THR . 34503 1 68 411 MET . 34503 1 69 412 LEU . 34503 1 70 413 SER . 34503 1 71 414 LEU . 34503 1 72 415 ARG . 34503 1 73 416 GLU . 34503 1 74 417 PHE . 34503 1 75 418 CYS . 34503 1 76 419 ILE . 34503 1 77 420 SER . 34503 1 78 421 LEU . 34503 1 79 422 TYR . 34503 1 80 423 LEU . 34503 1 81 424 MET . 34503 1 82 425 GLU . 34503 1 83 426 ARG . 34503 1 84 427 TYR . 34503 1 85 428 ARG . 34503 1 86 429 GLU . 34503 1 87 430 GLY . 34503 1 88 431 ARG . 34503 1 89 432 PRO . 34503 1 90 433 LEU . 34503 1 91 434 PRO . 34503 1 92 435 THR . 34503 1 93 436 ALA . 34503 1 94 437 LEU . 34503 1 95 438 PRO . 34503 1 96 439 SER . 34503 1 97 440 SER . 34503 1 98 441 ILE . 34503 1 99 442 MET . 34503 1 100 443 PHE . 34503 1 101 444 ASP . 34503 1 102 445 GLU . 34503 1 103 446 THR . 34503 1 104 447 LEU . 34503 1 105 448 LEU . 34503 1 106 449 SER . 34503 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 34503 1 . GLY 2 2 34503 1 . GLY 3 3 34503 1 . ASN 4 4 34503 1 . ASN 5 5 34503 1 . GLN 6 6 34503 1 . PRO 7 7 34503 1 . PRO 8 8 34503 1 . TRP 9 9 34503 1 . PRO 10 10 34503 1 . LYS 11 11 34503 1 . MET 12 12 34503 1 . LYS 13 13 34503 1 . PRO 14 14 34503 1 . SER 15 15 34503 1 . ASP 16 16 34503 1 . VAL 17 17 34503 1 . GLN 18 18 34503 1 . LYS 19 19 34503 1 . TYR 20 20 34503 1 . THR 21 21 34503 1 . LYS 22 22 34503 1 . VAL 23 23 34503 1 . PHE 24 24 34503 1 . MET 25 25 34503 1 . GLU 26 26 34503 1 . VAL 27 27 34503 1 . ASP 28 28 34503 1 . SER 29 29 34503 1 . ASP 30 30 34503 1 . LYS 31 31 34503 1 . ASP 32 32 34503 1 . GLY 33 33 34503 1 . LYS 34 34 34503 1 . ILE 35 35 34503 1 . THR 36 36 34503 1 . GLY 37 37 34503 1 . GLU 38 38 34503 1 . GLN 39 39 34503 1 . ALA 40 40 34503 1 . ARG 41 41 34503 1 . ASN 42 42 34503 1 . LEU 43 43 34503 1 . PHE 44 44 34503 1 . LEU 45 45 34503 1 . SER 46 46 34503 1 . TRP 47 47 34503 1 . ARG 48 48 34503 1 . LEU 49 49 34503 1 . PRO 50 50 34503 1 . ARG 51 51 34503 1 . GLU 52 52 34503 1 . VAL 53 53 34503 1 . LEU 54 54 34503 1 . LYS 55 55 34503 1 . HIS 56 56 34503 1 . VAL 57 57 34503 1 . TRP 58 58 34503 1 . GLU 59 59 34503 1 . LEU 60 60 34503 1 . SER 61 61 34503 1 . ASP 62 62 34503 1 . GLN 63 63 34503 1 . ASP 64 64 34503 1 . ASN 65 65 34503 1 . ASP 66 66 34503 1 . THR 67 67 34503 1 . MET 68 68 34503 1 . LEU 69 69 34503 1 . SER 70 70 34503 1 . LEU 71 71 34503 1 . ARG 72 72 34503 1 . GLU 73 73 34503 1 . PHE 74 74 34503 1 . CYS 75 75 34503 1 . ILE 76 76 34503 1 . SER 77 77 34503 1 . LEU 78 78 34503 1 . TYR 79 79 34503 1 . LEU 80 80 34503 1 . MET 81 81 34503 1 . GLU 82 82 34503 1 . ARG 83 83 34503 1 . TYR 84 84 34503 1 . ARG 85 85 34503 1 . GLU 86 86 34503 1 . GLY 87 87 34503 1 . ARG 88 88 34503 1 . PRO 89 89 34503 1 . LEU 90 90 34503 1 . PRO 91 91 34503 1 . THR 92 92 34503 1 . ALA 93 93 34503 1 . LEU 94 94 34503 1 . PRO 95 95 34503 1 . SER 96 96 34503 1 . SER 97 97 34503 1 . ILE 98 98 34503 1 . MET 99 99 34503 1 . PHE 100 100 34503 1 . ASP 101 101 34503 1 . GLU 102 102 34503 1 . THR 103 103 34503 1 . LEU 104 104 34503 1 . LEU 105 105 34503 1 . SER 106 106 34503 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 34503 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 34503 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 34503 2 CA 'Three letter code' 34503 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 34503 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34503 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . 'At1g20760, F2D10.25, F2D10_25' . 34503 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 34503 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . pET . . pET22b_EH12 . . . 34503 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 34503 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 34503 CA InChI=1S/Ca/q+2 InChI InChI 1.03 34503 CA [Ca++] SMILES CACTVS 3.341 34503 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 34503 CA [Ca+2] SMILES ACDLabs 10.04 34503 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 34503 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34503 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 34503 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34503 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34503 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34503 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] EH12, 90% H2O/10% D2O' _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 EH12 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34503 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 34503 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34503 1 pH 6.5 . pH 34503 1 pressure 1 . atm 34503 1 temperature 298 . K 34503 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34503 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34503 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34503 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34503 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34503 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34503 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34503 _Software.ID 3 _Software.Type . _Software.Name 4D-CHAINS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Evangelidis and Tripsianes' . . 34503 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34503 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34503 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34503 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34503 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34503 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34503 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 850 . . . 34503 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 34503 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D HC(CC TOCSY(CO))NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34503 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34503 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34503 1 4 '3D 13C edited NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34503 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34503 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34503 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34503 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34503 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34503 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '4D HC(CC TOCSY(CO))NH' . . . 34503 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' . . . 34503 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' . . . 34503 1 4 '3D 13C edited NOESY-HSQC' . . . 34503 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY HA2 H 1 3.918 0.020 . . . . . . A 346 GLY HA2 . 34503 1 2 . 1 . 1 3 3 GLY HA3 H 1 3.918 0.020 . . . . . . A 346 GLY HA3 . 34503 1 3 . 1 . 1 3 3 GLY CA C 13 45.274 0.200 . . . . . . A 346 GLY CA . 34503 1 4 . 1 . 1 4 4 ASN H H 1 8.334 0.020 . . . . . . A 347 ASN H . 34503 1 5 . 1 . 1 4 4 ASN HA H 1 4.684 0.009 . . . . . . A 347 ASN HA . 34503 1 6 . 1 . 1 4 4 ASN HB2 H 1 2.807 0.003 . . . . . . A 347 ASN HB2 . 34503 1 7 . 1 . 1 4 4 ASN HB3 H 1 2.706 0.002 . . . . . . A 347 ASN HB3 . 34503 1 8 . 1 . 1 4 4 ASN HD21 H 1 7.509 0.020 . . . . . . A 347 ASN HD21 . 34503 1 9 . 1 . 1 4 4 ASN HD22 H 1 6.849 0.020 . . . . . . A 347 ASN HD22 . 34503 1 10 . 1 . 1 4 4 ASN CA C 13 53.175 0.010 . . . . . . A 347 ASN CA . 34503 1 11 . 1 . 1 4 4 ASN CB C 13 38.838 0.109 . . . . . . A 347 ASN CB . 34503 1 12 . 1 . 1 4 4 ASN N N 15 118.449 0.200 . . . . . . A 347 ASN N . 34503 1 13 . 1 . 1 4 4 ASN ND2 N 15 112.742 0.200 . . . . . . A 347 ASN ND2 . 34503 1 14 . 1 . 1 5 5 ASN H H 1 8.399 0.020 . . . . . . A 348 ASN H . 34503 1 15 . 1 . 1 5 5 ASN HA H 1 4.626 0.004 . . . . . . A 348 ASN HA . 34503 1 16 . 1 . 1 5 5 ASN HB2 H 1 2.737 0.013 . . . . . . A 348 ASN HB2 . 34503 1 17 . 1 . 1 5 5 ASN HB3 H 1 2.674 0.008 . . . . . . A 348 ASN HB3 . 34503 1 18 . 1 . 1 5 5 ASN HD21 H 1 7.494 0.020 . . . . . . A 348 ASN HD21 . 34503 1 19 . 1 . 1 5 5 ASN HD22 H 1 6.827 0.020 . . . . . . A 348 ASN HD22 . 34503 1 20 . 1 . 1 5 5 ASN CA C 13 53.264 0.012 . . . . . . A 348 ASN CA . 34503 1 21 . 1 . 1 5 5 ASN CB C 13 38.711 0.053 . . . . . . A 348 ASN CB . 34503 1 22 . 1 . 1 5 5 ASN N N 15 119.119 0.200 . . . . . . A 348 ASN N . 34503 1 23 . 1 . 1 5 5 ASN ND2 N 15 112.866 0.010 . . . . . . A 348 ASN ND2 . 34503 1 24 . 1 . 1 6 6 GLN H H 1 8.168 0.002 . . . . . . A 349 GLN H . 34503 1 25 . 1 . 1 6 6 GLN HA H 1 4.510 0.004 . . . . . . A 349 GLN HA . 34503 1 26 . 1 . 1 6 6 GLN HB2 H 1 1.976 0.020 . . . . . . A 349 GLN HB2 . 34503 1 27 . 1 . 1 6 6 GLN HB3 H 1 1.818 0.020 . . . . . . A 349 GLN HB3 . 34503 1 28 . 1 . 1 6 6 GLN HG2 H 1 2.308 0.002 . . . . . . A 349 GLN HG2 . 34503 1 29 . 1 . 1 6 6 GLN HG3 H 1 2.308 0.002 . . . . . . A 349 GLN HG3 . 34503 1 30 . 1 . 1 6 6 GLN HE21 H 1 7.453 0.020 . . . . . . A 349 GLN HE21 . 34503 1 31 . 1 . 1 6 6 GLN HE22 H 1 6.836 0.020 . . . . . . A 349 GLN HE22 . 34503 1 32 . 1 . 1 6 6 GLN CA C 13 53.662 0.012 . . . . . . A 349 GLN CA . 34503 1 33 . 1 . 1 6 6 GLN CB C 13 28.930 0.011 . . . . . . A 349 GLN CB . 34503 1 34 . 1 . 1 6 6 GLN CG C 13 33.495 0.017 . . . . . . A 349 GLN CG . 34503 1 35 . 1 . 1 6 6 GLN N N 15 120.947 0.023 . . . . . . A 349 GLN N . 34503 1 36 . 1 . 1 6 6 GLN NE2 N 15 112.526 0.008 . . . . . . A 349 GLN NE2 . 34503 1 37 . 1 . 1 7 7 PRO HA H 1 4.622 0.002 . . . . . . A 350 PRO HA . 34503 1 38 . 1 . 1 7 7 PRO HB2 H 1 2.252 0.001 . . . . . . A 350 PRO HB2 . 34503 1 39 . 1 . 1 7 7 PRO HB3 H 1 1.690 0.004 . . . . . . A 350 PRO HB3 . 34503 1 40 . 1 . 1 7 7 PRO HG2 H 1 1.895 0.020 . . . . . . A 350 PRO HG2 . 34503 1 41 . 1 . 1 7 7 PRO HG3 H 1 1.801 0.020 . . . . . . A 350 PRO HG3 . 34503 1 42 . 1 . 1 7 7 PRO HD2 H 1 3.673 0.020 . . . . . . A 350 PRO HD2 . 34503 1 43 . 1 . 1 7 7 PRO HD3 H 1 3.456 0.005 . . . . . . A 350 PRO HD3 . 34503 1 44 . 1 . 1 7 7 PRO CA C 13 61.460 0.002 . . . . . . A 350 PRO CA . 34503 1 45 . 1 . 1 7 7 PRO CB C 13 30.686 0.024 . . . . . . A 350 PRO CB . 34503 1 46 . 1 . 1 7 7 PRO CG C 13 27.233 0.001 . . . . . . A 350 PRO CG . 34503 1 47 . 1 . 1 7 7 PRO CD C 13 50.434 0.034 . . . . . . A 350 PRO CD . 34503 1 48 . 1 . 1 8 8 PRO HA H 1 4.413 0.020 . . . . . . A 351 PRO HA . 34503 1 49 . 1 . 1 8 8 PRO HB2 H 1 2.274 0.011 . . . . . . A 351 PRO HB2 . 34503 1 50 . 1 . 1 8 8 PRO HB3 H 1 1.780 0.006 . . . . . . A 351 PRO HB3 . 34503 1 51 . 1 . 1 8 8 PRO HG2 H 1 1.974 0.007 . . . . . . A 351 PRO HG2 . 34503 1 52 . 1 . 1 8 8 PRO HG3 H 1 1.931 0.007 . . . . . . A 351 PRO HG3 . 34503 1 53 . 1 . 1 8 8 PRO HD2 H 1 3.722 0.010 . . . . . . A 351 PRO HD2 . 34503 1 54 . 1 . 1 8 8 PRO HD3 H 1 3.533 0.007 . . . . . . A 351 PRO HD3 . 34503 1 55 . 1 . 1 8 8 PRO CA C 13 62.730 0.028 . . . . . . A 351 PRO CA . 34503 1 56 . 1 . 1 8 8 PRO CB C 13 32.057 0.067 . . . . . . A 351 PRO CB . 34503 1 57 . 1 . 1 8 8 PRO CG C 13 27.380 0.089 . . . . . . A 351 PRO CG . 34503 1 58 . 1 . 1 8 8 PRO CD C 13 50.391 0.075 . . . . . . A 351 PRO CD . 34503 1 59 . 1 . 1 9 9 TRP H H 1 8.718 0.004 . . . . . . A 352 TRP H . 34503 1 60 . 1 . 1 9 9 TRP HA H 1 4.464 0.020 . . . . . . A 352 TRP HA . 34503 1 61 . 1 . 1 9 9 TRP HB2 H 1 3.494 0.015 . . . . . . A 352 TRP HB2 . 34503 1 62 . 1 . 1 9 9 TRP HB3 H 1 2.868 0.013 . . . . . . A 352 TRP HB3 . 34503 1 63 . 1 . 1 9 9 TRP HD1 H 1 7.328 0.010 . . . . . . A 352 TRP HD1 . 34503 1 64 . 1 . 1 9 9 TRP HE1 H 1 10.178 0.005 . . . . . . A 352 TRP HE1 . 34503 1 65 . 1 . 1 9 9 TRP HE3 H 1 7.825 0.005 . . . . . . A 352 TRP HE3 . 34503 1 66 . 1 . 1 9 9 TRP HZ2 H 1 7.506 0.005 . . . . . . A 352 TRP HZ2 . 34503 1 67 . 1 . 1 9 9 TRP HZ3 H 1 6.753 0.006 . . . . . . A 352 TRP HZ3 . 34503 1 68 . 1 . 1 9 9 TRP HH2 H 1 7.197 0.006 . . . . . . A 352 TRP HH2 . 34503 1 69 . 1 . 1 9 9 TRP CA C 13 55.577 0.005 . . . . . . A 352 TRP CA . 34503 1 70 . 1 . 1 9 9 TRP CB C 13 27.921 0.035 . . . . . . A 352 TRP CB . 34503 1 71 . 1 . 1 9 9 TRP CD1 C 13 126.830 0.023 . . . . . . A 352 TRP CD1 . 34503 1 72 . 1 . 1 9 9 TRP CE3 C 13 120.356 0.104 . . . . . . A 352 TRP CE3 . 34503 1 73 . 1 . 1 9 9 TRP CZ2 C 13 114.435 0.049 . . . . . . A 352 TRP CZ2 . 34503 1 74 . 1 . 1 9 9 TRP CZ3 C 13 120.453 0.079 . . . . . . A 352 TRP CZ3 . 34503 1 75 . 1 . 1 9 9 TRP CH2 C 13 124.216 0.015 . . . . . . A 352 TRP CH2 . 34503 1 76 . 1 . 1 9 9 TRP N N 15 124.573 0.022 . . . . . . A 352 TRP N . 34503 1 77 . 1 . 1 9 9 TRP NE1 N 15 129.310 0.015 . . . . . . A 352 TRP NE1 . 34503 1 78 . 1 . 1 10 10 PRO HA H 1 4.484 0.003 . . . . . . A 353 PRO HA . 34503 1 79 . 1 . 1 10 10 PRO HB2 H 1 2.270 0.001 . . . . . . A 353 PRO HB2 . 34503 1 80 . 1 . 1 10 10 PRO HB3 H 1 1.963 0.020 . . . . . . A 353 PRO HB3 . 34503 1 81 . 1 . 1 10 10 PRO HG2 H 1 1.999 0.003 . . . . . . A 353 PRO HG2 . 34503 1 82 . 1 . 1 10 10 PRO HG3 H 1 1.942 0.002 . . . . . . A 353 PRO HG3 . 34503 1 83 . 1 . 1 10 10 PRO HD2 H 1 3.663 0.001 . . . . . . A 353 PRO HD2 . 34503 1 84 . 1 . 1 10 10 PRO HD3 H 1 3.663 0.001 . . . . . . A 353 PRO HD3 . 34503 1 85 . 1 . 1 10 10 PRO CA C 13 62.234 0.025 . . . . . . A 353 PRO CA . 34503 1 86 . 1 . 1 10 10 PRO CB C 13 32.405 0.019 . . . . . . A 353 PRO CB . 34503 1 87 . 1 . 1 10 10 PRO CG C 13 27.212 0.101 . . . . . . A 353 PRO CG . 34503 1 88 . 1 . 1 10 10 PRO CD C 13 50.697 0.007 . . . . . . A 353 PRO CD . 34503 1 89 . 1 . 1 11 11 LYS H H 1 8.569 0.002 . . . . . . A 354 LYS H . 34503 1 90 . 1 . 1 11 11 LYS HA H 1 4.261 0.009 . . . . . . A 354 LYS HA . 34503 1 91 . 1 . 1 11 11 LYS HB2 H 1 1.808 0.004 . . . . . . A 354 LYS HB2 . 34503 1 92 . 1 . 1 11 11 LYS HB3 H 1 1.697 0.011 . . . . . . A 354 LYS HB3 . 34503 1 93 . 1 . 1 11 11 LYS HG2 H 1 1.513 0.003 . . . . . . A 354 LYS HG2 . 34503 1 94 . 1 . 1 11 11 LYS HG3 H 1 1.513 0.003 . . . . . . A 354 LYS HG3 . 34503 1 95 . 1 . 1 11 11 LYS HD2 H 1 1.662 0.009 . . . . . . A 354 LYS HD2 . 34503 1 96 . 1 . 1 11 11 LYS HD3 H 1 1.662 0.009 . . . . . . A 354 LYS HD3 . 34503 1 97 . 1 . 1 11 11 LYS HE2 H 1 2.986 0.002 . . . . . . A 354 LYS HE2 . 34503 1 98 . 1 . 1 11 11 LYS HE3 H 1 2.986 0.002 . . . . . . A 354 LYS HE3 . 34503 1 99 . 1 . 1 11 11 LYS CA C 13 56.418 0.065 . . . . . . A 354 LYS CA . 34503 1 100 . 1 . 1 11 11 LYS CB C 13 32.864 0.048 . . . . . . A 354 LYS CB . 34503 1 101 . 1 . 1 11 11 LYS CG C 13 25.068 0.007 . . . . . . A 354 LYS CG . 34503 1 102 . 1 . 1 11 11 LYS CD C 13 29.153 0.030 . . . . . . A 354 LYS CD . 34503 1 103 . 1 . 1 11 11 LYS CE C 13 42.160 0.021 . . . . . . A 354 LYS CE . 34503 1 104 . 1 . 1 11 11 LYS N N 15 122.005 0.012 . . . . . . A 354 LYS N . 34503 1 105 . 1 . 1 12 12 MET H H 1 9.004 0.002 . . . . . . A 355 MET H . 34503 1 106 . 1 . 1 12 12 MET HA H 1 4.356 0.002 . . . . . . A 355 MET HA . 34503 1 107 . 1 . 1 12 12 MET HB2 H 1 1.840 0.003 . . . . . . A 355 MET HB2 . 34503 1 108 . 1 . 1 12 12 MET HB3 H 1 1.840 0.003 . . . . . . A 355 MET HB3 . 34503 1 109 . 1 . 1 12 12 MET HG2 H 1 2.462 0.002 . . . . . . A 355 MET HG2 . 34503 1 110 . 1 . 1 12 12 MET HG3 H 1 2.462 0.002 . . . . . . A 355 MET HG3 . 34503 1 111 . 1 . 1 12 12 MET HE1 H 1 1.677 0.006 . . . . . . A 355 MET HE1 . 34503 1 112 . 1 . 1 12 12 MET HE2 H 1 1.677 0.006 . . . . . . A 355 MET HE2 . 34503 1 113 . 1 . 1 12 12 MET HE3 H 1 1.677 0.006 . . . . . . A 355 MET HE3 . 34503 1 114 . 1 . 1 12 12 MET CA C 13 56.786 0.012 . . . . . . A 355 MET CA . 34503 1 115 . 1 . 1 12 12 MET CB C 13 33.400 0.022 . . . . . . A 355 MET CB . 34503 1 116 . 1 . 1 12 12 MET CG C 13 32.800 0.019 . . . . . . A 355 MET CG . 34503 1 117 . 1 . 1 12 12 MET CE C 13 16.916 0.054 . . . . . . A 355 MET CE . 34503 1 118 . 1 . 1 12 12 MET N N 15 123.735 0.016 . . . . . . A 355 MET N . 34503 1 119 . 1 . 1 13 13 LYS H H 1 9.122 0.002 . . . . . . A 356 LYS H . 34503 1 120 . 1 . 1 13 13 LYS HA H 1 4.670 0.003 . . . . . . A 356 LYS HA . 34503 1 121 . 1 . 1 13 13 LYS HB2 H 1 1.940 0.020 . . . . . . A 356 LYS HB2 . 34503 1 122 . 1 . 1 13 13 LYS HB3 H 1 1.621 0.003 . . . . . . A 356 LYS HB3 . 34503 1 123 . 1 . 1 13 13 LYS HG2 H 1 1.619 0.020 . . . . . . A 356 LYS HG2 . 34503 1 124 . 1 . 1 13 13 LYS HG3 H 1 1.470 0.003 . . . . . . A 356 LYS HG3 . 34503 1 125 . 1 . 1 13 13 LYS HD2 H 1 1.715 0.001 . . . . . . A 356 LYS HD2 . 34503 1 126 . 1 . 1 13 13 LYS HD3 H 1 1.651 0.001 . . . . . . A 356 LYS HD3 . 34503 1 127 . 1 . 1 13 13 LYS HE2 H 1 2.988 0.005 . . . . . . A 356 LYS HE2 . 34503 1 128 . 1 . 1 13 13 LYS HE3 H 1 2.988 0.005 . . . . . . A 356 LYS HE3 . 34503 1 129 . 1 . 1 13 13 LYS CA C 13 54.536 0.013 . . . . . . A 356 LYS CA . 34503 1 130 . 1 . 1 13 13 LYS CB C 13 32.459 0.035 . . . . . . A 356 LYS CB . 34503 1 131 . 1 . 1 13 13 LYS CG C 13 24.889 0.004 . . . . . . A 356 LYS CG . 34503 1 132 . 1 . 1 13 13 LYS CD C 13 29.107 0.049 . . . . . . A 356 LYS CD . 34503 1 133 . 1 . 1 13 13 LYS CE C 13 41.799 0.035 . . . . . . A 356 LYS CE . 34503 1 134 . 1 . 1 13 13 LYS N N 15 126.104 0.014 . . . . . . A 356 LYS N . 34503 1 135 . 1 . 1 14 14 PRO HA H 1 4.111 0.002 . . . . . . A 357 PRO HA . 34503 1 136 . 1 . 1 14 14 PRO HB2 H 1 2.345 0.002 . . . . . . A 357 PRO HB2 . 34503 1 137 . 1 . 1 14 14 PRO HB3 H 1 1.949 0.004 . . . . . . A 357 PRO HB3 . 34503 1 138 . 1 . 1 14 14 PRO HG2 H 1 2.186 0.004 . . . . . . A 357 PRO HG2 . 34503 1 139 . 1 . 1 14 14 PRO HG3 H 1 1.993 0.002 . . . . . . A 357 PRO HG3 . 34503 1 140 . 1 . 1 14 14 PRO HD2 H 1 3.876 0.003 . . . . . . A 357 PRO HD2 . 34503 1 141 . 1 . 1 14 14 PRO HD3 H 1 3.876 0.003 . . . . . . A 357 PRO HD3 . 34503 1 142 . 1 . 1 14 14 PRO CA C 13 66.071 0.033 . . . . . . A 357 PRO CA . 34503 1 143 . 1 . 1 14 14 PRO CB C 13 31.576 0.017 . . . . . . A 357 PRO CB . 34503 1 144 . 1 . 1 14 14 PRO CG C 13 27.848 0.066 . . . . . . A 357 PRO CG . 34503 1 145 . 1 . 1 14 14 PRO CD C 13 50.533 0.011 . . . . . . A 357 PRO CD . 34503 1 146 . 1 . 1 15 15 SER H H 1 8.178 0.020 . . . . . . A 358 SER H . 34503 1 147 . 1 . 1 15 15 SER HA H 1 4.040 0.020 . . . . . . A 358 SER HA . 34503 1 148 . 1 . 1 15 15 SER HB2 H 1 3.816 0.020 . . . . . . A 358 SER HB2 . 34503 1 149 . 1 . 1 15 15 SER HB3 H 1 3.816 0.020 . . . . . . A 358 SER HB3 . 34503 1 150 . 1 . 1 15 15 SER CA C 13 60.929 0.200 . . . . . . A 358 SER CA . 34503 1 151 . 1 . 1 15 15 SER CB C 13 61.639 0.200 . . . . . . A 358 SER CB . 34503 1 152 . 1 . 1 15 15 SER N N 15 110.432 0.200 . . . . . . A 358 SER N . 34503 1 153 . 1 . 1 16 16 ASP H H 1 7.096 0.002 . . . . . . A 359 ASP H . 34503 1 154 . 1 . 1 16 16 ASP HA H 1 4.124 0.002 . . . . . . A 359 ASP HA . 34503 1 155 . 1 . 1 16 16 ASP HB2 H 1 2.841 0.003 . . . . . . A 359 ASP HB2 . 34503 1 156 . 1 . 1 16 16 ASP HB3 H 1 2.338 0.003 . . . . . . A 359 ASP HB3 . 34503 1 157 . 1 . 1 16 16 ASP CA C 13 57.034 0.028 . . . . . . A 359 ASP CA . 34503 1 158 . 1 . 1 16 16 ASP CB C 13 40.484 0.039 . . . . . . A 359 ASP CB . 34503 1 159 . 1 . 1 16 16 ASP N N 15 123.689 0.004 . . . . . . A 359 ASP N . 34503 1 160 . 1 . 1 17 17 VAL H H 1 7.436 0.001 . . . . . . A 360 VAL H . 34503 1 161 . 1 . 1 17 17 VAL HA H 1 3.384 0.020 . . . . . . A 360 VAL HA . 34503 1 162 . 1 . 1 17 17 VAL HB H 1 2.052 0.020 . . . . . . A 360 VAL HB . 34503 1 163 . 1 . 1 17 17 VAL HG11 H 1 0.905 0.020 . . . . . . A 360 VAL HG11 . 34503 1 164 . 1 . 1 17 17 VAL HG12 H 1 0.905 0.020 . . . . . . A 360 VAL HG12 . 34503 1 165 . 1 . 1 17 17 VAL HG13 H 1 0.905 0.020 . . . . . . A 360 VAL HG13 . 34503 1 166 . 1 . 1 17 17 VAL HG21 H 1 0.933 0.020 . . . . . . A 360 VAL HG21 . 34503 1 167 . 1 . 1 17 17 VAL HG22 H 1 0.933 0.020 . . . . . . A 360 VAL HG22 . 34503 1 168 . 1 . 1 17 17 VAL HG23 H 1 0.933 0.020 . . . . . . A 360 VAL HG23 . 34503 1 169 . 1 . 1 17 17 VAL CA C 13 67.143 0.200 . . . . . . A 360 VAL CA . 34503 1 170 . 1 . 1 17 17 VAL CB C 13 31.656 0.200 . . . . . . A 360 VAL CB . 34503 1 171 . 1 . 1 17 17 VAL CG1 C 13 21.440 0.200 . . . . . . A 360 VAL CG1 . 34503 1 172 . 1 . 1 17 17 VAL CG2 C 13 23.675 0.200 . . . . . . A 360 VAL CG2 . 34503 1 173 . 1 . 1 17 17 VAL N N 15 117.982 0.005 . . . . . . A 360 VAL N . 34503 1 174 . 1 . 1 18 18 GLN H H 1 8.241 0.001 . . . . . . A 361 GLN H . 34503 1 175 . 1 . 1 18 18 GLN HA H 1 3.961 0.020 . . . . . . A 361 GLN HA . 34503 1 176 . 1 . 1 18 18 GLN HB2 H 1 2.038 0.003 . . . . . . A 361 GLN HB2 . 34503 1 177 . 1 . 1 18 18 GLN HB3 H 1 2.038 0.003 . . . . . . A 361 GLN HB3 . 34503 1 178 . 1 . 1 18 18 GLN HG2 H 1 2.416 0.001 . . . . . . A 361 GLN HG2 . 34503 1 179 . 1 . 1 18 18 GLN HG3 H 1 2.344 0.003 . . . . . . A 361 GLN HG3 . 34503 1 180 . 1 . 1 18 18 GLN HE21 H 1 7.415 0.003 . . . . . . A 361 GLN HE21 . 34503 1 181 . 1 . 1 18 18 GLN HE22 H 1 6.777 0.001 . . . . . . A 361 GLN HE22 . 34503 1 182 . 1 . 1 18 18 GLN CA C 13 59.591 0.200 . . . . . . A 361 GLN CA . 34503 1 183 . 1 . 1 18 18 GLN CB C 13 28.326 0.007 . . . . . . A 361 GLN CB . 34503 1 184 . 1 . 1 18 18 GLN CG C 13 33.859 0.034 . . . . . . A 361 GLN CG . 34503 1 185 . 1 . 1 18 18 GLN N N 15 120.942 0.006 . . . . . . A 361 GLN N . 34503 1 186 . 1 . 1 18 18 GLN NE2 N 15 111.633 0.006 . . . . . . A 361 GLN NE2 . 34503 1 187 . 1 . 1 19 19 LYS H H 1 7.303 0.002 . . . . . . A 362 LYS H . 34503 1 188 . 1 . 1 19 19 LYS HA H 1 4.062 0.020 . . . . . . A 362 LYS HA . 34503 1 189 . 1 . 1 19 19 LYS HB2 H 1 1.935 0.020 . . . . . . A 362 LYS HB2 . 34503 1 190 . 1 . 1 19 19 LYS HB3 H 1 1.935 0.020 . . . . . . A 362 LYS HB3 . 34503 1 191 . 1 . 1 19 19 LYS HG2 H 1 1.603 0.020 . . . . . . A 362 LYS HG2 . 34503 1 192 . 1 . 1 19 19 LYS HG3 H 1 1.373 0.020 . . . . . . A 362 LYS HG3 . 34503 1 193 . 1 . 1 19 19 LYS HD2 H 1 1.718 0.013 . . . . . . A 362 LYS HD2 . 34503 1 194 . 1 . 1 19 19 LYS HD3 H 1 1.718 0.013 . . . . . . A 362 LYS HD3 . 34503 1 195 . 1 . 1 19 19 LYS HE2 H 1 2.938 0.020 . . . . . . A 362 LYS HE2 . 34503 1 196 . 1 . 1 19 19 LYS HE3 H 1 2.938 0.020 . . . . . . A 362 LYS HE3 . 34503 1 197 . 1 . 1 19 19 LYS CA C 13 59.887 0.200 . . . . . . A 362 LYS CA . 34503 1 198 . 1 . 1 19 19 LYS CB C 13 32.086 0.200 . . . . . . A 362 LYS CB . 34503 1 199 . 1 . 1 19 19 LYS CG C 13 24.900 0.022 . . . . . . A 362 LYS CG . 34503 1 200 . 1 . 1 19 19 LYS CD C 13 29.690 0.022 . . . . . . A 362 LYS CD . 34503 1 201 . 1 . 1 19 19 LYS CE C 13 42.193 0.200 . . . . . . A 362 LYS CE . 34503 1 202 . 1 . 1 19 19 LYS N N 15 121.527 0.010 . . . . . . A 362 LYS N . 34503 1 203 . 1 . 1 20 20 TYR H H 1 8.808 0.003 . . . . . . A 363 TYR H . 34503 1 204 . 1 . 1 20 20 TYR HA H 1 4.602 0.013 . . . . . . A 363 TYR HA . 34503 1 205 . 1 . 1 20 20 TYR HB2 H 1 3.474 0.003 . . . . . . A 363 TYR HB2 . 34503 1 206 . 1 . 1 20 20 TYR HB3 H 1 3.349 0.004 . . . . . . A 363 TYR HB3 . 34503 1 207 . 1 . 1 20 20 TYR HD1 H 1 6.870 0.005 . . . . . . A 363 TYR HD1 . 34503 1 208 . 1 . 1 20 20 TYR HD2 H 1 6.870 0.005 . . . . . . A 363 TYR HD2 . 34503 1 209 . 1 . 1 20 20 TYR HE1 H 1 6.764 0.020 . . . . . . A 363 TYR HE1 . 34503 1 210 . 1 . 1 20 20 TYR HE2 H 1 6.764 0.020 . . . . . . A 363 TYR HE2 . 34503 1 211 . 1 . 1 20 20 TYR CA C 13 57.592 0.044 . . . . . . A 363 TYR CA . 34503 1 212 . 1 . 1 20 20 TYR CB C 13 37.809 0.009 . . . . . . A 363 TYR CB . 34503 1 213 . 1 . 1 20 20 TYR CD1 C 13 131.668 0.042 . . . . . . A 363 TYR CD1 . 34503 1 214 . 1 . 1 20 20 TYR CD2 C 13 131.668 0.042 . . . . . . A 363 TYR CD2 . 34503 1 215 . 1 . 1 20 20 TYR CE1 C 13 117.762 0.200 . . . . . . A 363 TYR CE1 . 34503 1 216 . 1 . 1 20 20 TYR CE2 C 13 117.762 0.200 . . . . . . A 363 TYR CE2 . 34503 1 217 . 1 . 1 20 20 TYR N N 15 119.523 0.017 . . . . . . A 363 TYR N . 34503 1 218 . 1 . 1 21 21 THR H H 1 8.632 0.003 . . . . . . A 364 THR H . 34503 1 219 . 1 . 1 21 21 THR HA H 1 3.916 0.020 . . . . . . A 364 THR HA . 34503 1 220 . 1 . 1 21 21 THR HB H 1 4.323 0.020 . . . . . . A 364 THR HB . 34503 1 221 . 1 . 1 21 21 THR HG21 H 1 1.241 0.020 . . . . . . A 364 THR HG21 . 34503 1 222 . 1 . 1 21 21 THR HG22 H 1 1.241 0.020 . . . . . . A 364 THR HG22 . 34503 1 223 . 1 . 1 21 21 THR HG23 H 1 1.241 0.020 . . . . . . A 364 THR HG23 . 34503 1 224 . 1 . 1 21 21 THR CA C 13 67.246 0.200 . . . . . . A 364 THR CA . 34503 1 225 . 1 . 1 21 21 THR CB C 13 68.850 0.200 . . . . . . A 364 THR CB . 34503 1 226 . 1 . 1 21 21 THR CG2 C 13 20.878 0.200 . . . . . . A 364 THR CG2 . 34503 1 227 . 1 . 1 21 21 THR N N 15 115.993 0.006 . . . . . . A 364 THR N . 34503 1 228 . 1 . 1 22 22 LYS H H 1 7.562 0.001 . . . . . . A 365 LYS H . 34503 1 229 . 1 . 1 22 22 LYS HA H 1 4.015 0.002 . . . . . . A 365 LYS HA . 34503 1 230 . 1 . 1 22 22 LYS HB2 H 1 2.011 0.003 . . . . . . A 365 LYS HB2 . 34503 1 231 . 1 . 1 22 22 LYS HB3 H 1 1.977 0.004 . . . . . . A 365 LYS HB3 . 34503 1 232 . 1 . 1 22 22 LYS HG2 H 1 1.589 0.002 . . . . . . A 365 LYS HG2 . 34503 1 233 . 1 . 1 22 22 LYS HG3 H 1 1.431 0.020 . . . . . . A 365 LYS HG3 . 34503 1 234 . 1 . 1 22 22 LYS HD2 H 1 1.681 0.020 . . . . . . A 365 LYS HD2 . 34503 1 235 . 1 . 1 22 22 LYS HD3 H 1 1.681 0.020 . . . . . . A 365 LYS HD3 . 34503 1 236 . 1 . 1 22 22 LYS HE2 H 1 2.958 0.020 . . . . . . A 365 LYS HE2 . 34503 1 237 . 1 . 1 22 22 LYS HE3 H 1 2.958 0.020 . . . . . . A 365 LYS HE3 . 34503 1 238 . 1 . 1 22 22 LYS CA C 13 60.142 0.003 . . . . . . A 365 LYS CA . 34503 1 239 . 1 . 1 22 22 LYS CB C 13 32.368 0.031 . . . . . . A 365 LYS CB . 34503 1 240 . 1 . 1 22 22 LYS CG C 13 25.181 0.013 . . . . . . A 365 LYS CG . 34503 1 241 . 1 . 1 22 22 LYS CD C 13 29.383 0.063 . . . . . . A 365 LYS CD . 34503 1 242 . 1 . 1 22 22 LYS CE C 13 42.236 0.200 . . . . . . A 365 LYS CE . 34503 1 243 . 1 . 1 22 22 LYS N N 15 121.528 0.004 . . . . . . A 365 LYS N . 34503 1 244 . 1 . 1 23 23 VAL H H 1 7.389 0.002 . . . . . . A 366 VAL H . 34503 1 245 . 1 . 1 23 23 VAL HA H 1 3.819 0.020 . . . . . . A 366 VAL HA . 34503 1 246 . 1 . 1 23 23 VAL HB H 1 2.560 0.020 . . . . . . A 366 VAL HB . 34503 1 247 . 1 . 1 23 23 VAL HG11 H 1 1.319 0.001 . . . . . . A 366 VAL HG11 . 34503 1 248 . 1 . 1 23 23 VAL HG12 H 1 1.319 0.001 . . . . . . A 366 VAL HG12 . 34503 1 249 . 1 . 1 23 23 VAL HG13 H 1 1.319 0.001 . . . . . . A 366 VAL HG13 . 34503 1 250 . 1 . 1 23 23 VAL HG21 H 1 1.303 0.020 . . . . . . A 366 VAL HG21 . 34503 1 251 . 1 . 1 23 23 VAL HG22 H 1 1.303 0.020 . . . . . . A 366 VAL HG22 . 34503 1 252 . 1 . 1 23 23 VAL HG23 H 1 1.303 0.020 . . . . . . A 366 VAL HG23 . 34503 1 253 . 1 . 1 23 23 VAL CA C 13 66.182 0.200 . . . . . . A 366 VAL CA . 34503 1 254 . 1 . 1 23 23 VAL CB C 13 32.321 0.200 . . . . . . A 366 VAL CB . 34503 1 255 . 1 . 1 23 23 VAL CG1 C 13 22.337 0.004 . . . . . . A 366 VAL CG1 . 34503 1 256 . 1 . 1 23 23 VAL CG2 C 13 22.250 0.200 . . . . . . A 366 VAL CG2 . 34503 1 257 . 1 . 1 23 23 VAL N N 15 118.189 0.016 . . . . . . A 366 VAL N . 34503 1 258 . 1 . 1 24 24 PHE H H 1 8.357 0.005 . . . . . . A 367 PHE H . 34503 1 259 . 1 . 1 24 24 PHE HA H 1 3.125 0.016 . . . . . . A 367 PHE HA . 34503 1 260 . 1 . 1 24 24 PHE HB2 H 1 3.099 0.005 . . . . . . A 367 PHE HB2 . 34503 1 261 . 1 . 1 24 24 PHE HB3 H 1 2.869 0.011 . . . . . . A 367 PHE HB3 . 34503 1 262 . 1 . 1 24 24 PHE HD1 H 1 6.406 0.004 . . . . . . A 367 PHE HD1 . 34503 1 263 . 1 . 1 24 24 PHE HD2 H 1 6.406 0.004 . . . . . . A 367 PHE HD2 . 34503 1 264 . 1 . 1 24 24 PHE HE1 H 1 6.915 0.020 . . . . . . A 367 PHE HE1 . 34503 1 265 . 1 . 1 24 24 PHE HE2 H 1 6.915 0.020 . . . . . . A 367 PHE HE2 . 34503 1 266 . 1 . 1 24 24 PHE HZ H 1 6.882 0.020 . . . . . . A 367 PHE HZ . 34503 1 267 . 1 . 1 24 24 PHE CA C 13 62.259 0.014 . . . . . . A 367 PHE CA . 34503 1 268 . 1 . 1 24 24 PHE CB C 13 39.709 0.023 . . . . . . A 367 PHE CB . 34503 1 269 . 1 . 1 24 24 PHE CD1 C 13 131.385 0.200 . . . . . . A 367 PHE CD1 . 34503 1 270 . 1 . 1 24 24 PHE CD2 C 13 131.385 0.200 . . . . . . A 367 PHE CD2 . 34503 1 271 . 1 . 1 24 24 PHE CE1 C 13 131.138 0.200 . . . . . . A 367 PHE CE1 . 34503 1 272 . 1 . 1 24 24 PHE CE2 C 13 131.138 0.200 . . . . . . A 367 PHE CE2 . 34503 1 273 . 1 . 1 24 24 PHE CZ C 13 129.249 0.200 . . . . . . A 367 PHE CZ . 34503 1 274 . 1 . 1 24 24 PHE N N 15 120.709 0.007 . . . . . . A 367 PHE N . 34503 1 275 . 1 . 1 25 25 MET H H 1 8.581 0.002 . . . . . . A 368 MET H . 34503 1 276 . 1 . 1 25 25 MET HA H 1 4.053 0.020 . . . . . . A 368 MET HA . 34503 1 277 . 1 . 1 25 25 MET HB2 H 1 2.177 0.020 . . . . . . A 368 MET HB2 . 34503 1 278 . 1 . 1 25 25 MET HB3 H 1 2.084 0.020 . . . . . . A 368 MET HB3 . 34503 1 279 . 1 . 1 25 25 MET HG2 H 1 2.947 0.020 . . . . . . A 368 MET HG2 . 34503 1 280 . 1 . 1 25 25 MET HG3 H 1 2.842 0.020 . . . . . . A 368 MET HG3 . 34503 1 281 . 1 . 1 25 25 MET HE1 H 1 2.108 0.020 . . . . . . A 368 MET HE1 . 34503 1 282 . 1 . 1 25 25 MET HE2 H 1 2.108 0.020 . . . . . . A 368 MET HE2 . 34503 1 283 . 1 . 1 25 25 MET HE3 H 1 2.108 0.020 . . . . . . A 368 MET HE3 . 34503 1 284 . 1 . 1 25 25 MET CA C 13 57.840 0.200 . . . . . . A 368 MET CA . 34503 1 285 . 1 . 1 25 25 MET CB C 13 32.226 0.040 . . . . . . A 368 MET CB . 34503 1 286 . 1 . 1 25 25 MET CG C 13 32.795 0.074 . . . . . . A 368 MET CG . 34503 1 287 . 1 . 1 25 25 MET CE C 13 16.971 0.200 . . . . . . A 368 MET CE . 34503 1 288 . 1 . 1 25 25 MET N N 15 114.069 0.006 . . . . . . A 368 MET N . 34503 1 289 . 1 . 1 26 26 GLU H H 1 7.346 0.002 . . . . . . A 369 GLU H . 34503 1 290 . 1 . 1 26 26 GLU HA H 1 3.955 0.020 . . . . . . A 369 GLU HA . 34503 1 291 . 1 . 1 26 26 GLU HB2 H 1 2.209 0.020 . . . . . . A 369 GLU HB2 . 34503 1 292 . 1 . 1 26 26 GLU HB3 H 1 2.054 0.001 . . . . . . A 369 GLU HB3 . 34503 1 293 . 1 . 1 26 26 GLU HG2 H 1 2.442 0.001 . . . . . . A 369 GLU HG2 . 34503 1 294 . 1 . 1 26 26 GLU HG3 H 1 2.197 0.001 . . . . . . A 369 GLU HG3 . 34503 1 295 . 1 . 1 26 26 GLU CA C 13 58.374 0.002 . . . . . . A 369 GLU CA . 34503 1 296 . 1 . 1 26 26 GLU CB C 13 29.688 0.010 . . . . . . A 369 GLU CB . 34503 1 297 . 1 . 1 26 26 GLU CG C 13 36.307 0.045 . . . . . . A 369 GLU CG . 34503 1 298 . 1 . 1 26 26 GLU N N 15 117.415 0.020 . . . . . . A 369 GLU N . 34503 1 299 . 1 . 1 27 27 VAL H H 1 7.336 0.003 . . . . . . A 370 VAL H . 34503 1 300 . 1 . 1 27 27 VAL HA H 1 3.743 0.002 . . . . . . A 370 VAL HA . 34503 1 301 . 1 . 1 27 27 VAL HB H 1 1.631 0.001 . . . . . . A 370 VAL HB . 34503 1 302 . 1 . 1 27 27 VAL HG11 H 1 0.730 0.001 . . . . . . A 370 VAL HG11 . 34503 1 303 . 1 . 1 27 27 VAL HG12 H 1 0.730 0.001 . . . . . . A 370 VAL HG12 . 34503 1 304 . 1 . 1 27 27 VAL HG13 H 1 0.730 0.001 . . . . . . A 370 VAL HG13 . 34503 1 305 . 1 . 1 27 27 VAL HG21 H 1 0.875 0.020 . . . . . . A 370 VAL HG21 . 34503 1 306 . 1 . 1 27 27 VAL HG22 H 1 0.875 0.020 . . . . . . A 370 VAL HG22 . 34503 1 307 . 1 . 1 27 27 VAL HG23 H 1 0.875 0.020 . . . . . . A 370 VAL HG23 . 34503 1 308 . 1 . 1 27 27 VAL CA C 13 64.107 0.008 . . . . . . A 370 VAL CA . 34503 1 309 . 1 . 1 27 27 VAL CB C 13 32.172 0.001 . . . . . . A 370 VAL CB . 34503 1 310 . 1 . 1 27 27 VAL CG1 C 13 22.748 0.011 . . . . . . A 370 VAL CG1 . 34503 1 311 . 1 . 1 27 27 VAL CG2 C 13 22.175 0.008 . . . . . . A 370 VAL CG2 . 34503 1 312 . 1 . 1 27 27 VAL N N 15 117.967 0.011 . . . . . . A 370 VAL N . 34503 1 313 . 1 . 1 28 28 ASP H H 1 7.952 0.001 . . . . . . A 371 ASP H . 34503 1 314 . 1 . 1 28 28 ASP HA H 1 4.853 0.020 . . . . . . A 371 ASP HA . 34503 1 315 . 1 . 1 28 28 ASP HB2 H 1 2.241 0.020 . . . . . . A 371 ASP HB2 . 34503 1 316 . 1 . 1 28 28 ASP HB3 H 1 1.284 0.020 . . . . . . A 371 ASP HB3 . 34503 1 317 . 1 . 1 28 28 ASP CA C 13 52.891 0.200 . . . . . . A 371 ASP CA . 34503 1 318 . 1 . 1 28 28 ASP CB C 13 38.836 0.004 . . . . . . A 371 ASP CB . 34503 1 319 . 1 . 1 28 28 ASP N N 15 119.732 0.005 . . . . . . A 371 ASP N . 34503 1 320 . 1 . 1 29 29 SER H H 1 8.498 0.003 . . . . . . A 372 SER H . 34503 1 321 . 1 . 1 29 29 SER HA H 1 4.078 0.002 . . . . . . A 372 SER HA . 34503 1 322 . 1 . 1 29 29 SER HB2 H 1 3.931 0.003 . . . . . . A 372 SER HB2 . 34503 1 323 . 1 . 1 29 29 SER HB3 H 1 3.787 0.004 . . . . . . A 372 SER HB3 . 34503 1 324 . 1 . 1 29 29 SER CA C 13 60.801 0.004 . . . . . . A 372 SER CA . 34503 1 325 . 1 . 1 29 29 SER CB C 13 63.000 0.011 . . . . . . A 372 SER CB . 34503 1 326 . 1 . 1 29 29 SER N N 15 120.980 0.015 . . . . . . A 372 SER N . 34503 1 327 . 1 . 1 30 30 ASP H H 1 8.280 0.002 . . . . . . A 373 ASP H . 34503 1 328 . 1 . 1 30 30 ASP HA H 1 4.478 0.020 . . . . . . A 373 ASP HA . 34503 1 329 . 1 . 1 30 30 ASP HB2 H 1 2.821 0.020 . . . . . . A 373 ASP HB2 . 34503 1 330 . 1 . 1 30 30 ASP HB3 H 1 2.483 0.020 . . . . . . A 373 ASP HB3 . 34503 1 331 . 1 . 1 30 30 ASP CA C 13 52.989 0.200 . . . . . . A 373 ASP CA . 34503 1 332 . 1 . 1 30 30 ASP CB C 13 39.259 0.066 . . . . . . A 373 ASP CB . 34503 1 333 . 1 . 1 30 30 ASP N N 15 117.331 0.012 . . . . . . A 373 ASP N . 34503 1 334 . 1 . 1 31 31 LYS H H 1 7.586 0.001 . . . . . . A 374 LYS H . 34503 1 335 . 1 . 1 31 31 LYS HA H 1 3.924 0.020 . . . . . . A 374 LYS HA . 34503 1 336 . 1 . 1 31 31 LYS HB2 H 1 1.925 0.020 . . . . . . A 374 LYS HB2 . 34503 1 337 . 1 . 1 31 31 LYS HB3 H 1 1.925 0.020 . . . . . . A 374 LYS HB3 . 34503 1 338 . 1 . 1 31 31 LYS HG2 H 1 1.297 0.020 . . . . . . A 374 LYS HG2 . 34503 1 339 . 1 . 1 31 31 LYS HG3 H 1 1.297 0.020 . . . . . . A 374 LYS HG3 . 34503 1 340 . 1 . 1 31 31 LYS HD2 H 1 1.724 0.020 . . . . . . A 374 LYS HD2 . 34503 1 341 . 1 . 1 31 31 LYS HD3 H 1 1.587 0.020 . . . . . . A 374 LYS HD3 . 34503 1 342 . 1 . 1 31 31 LYS HE2 H 1 2.990 0.020 . . . . . . A 374 LYS HE2 . 34503 1 343 . 1 . 1 31 31 LYS HE3 H 1 2.955 0.020 . . . . . . A 374 LYS HE3 . 34503 1 344 . 1 . 1 31 31 LYS CA C 13 57.359 0.200 . . . . . . A 374 LYS CA . 34503 1 345 . 1 . 1 31 31 LYS CB C 13 29.167 0.200 . . . . . . A 374 LYS CB . 34503 1 346 . 1 . 1 31 31 LYS CG C 13 24.820 0.200 . . . . . . A 374 LYS CG . 34503 1 347 . 1 . 1 31 31 LYS CD C 13 28.926 0.023 . . . . . . A 374 LYS CD . 34503 1 348 . 1 . 1 31 31 LYS CE C 13 42.505 0.200 . . . . . . A 374 LYS CE . 34503 1 349 . 1 . 1 31 31 LYS N N 15 114.665 0.022 . . . . . . A 374 LYS N . 34503 1 350 . 1 . 1 32 32 ASP H H 1 8.209 0.002 . . . . . . A 375 ASP H . 34503 1 351 . 1 . 1 32 32 ASP HA H 1 4.713 0.001 . . . . . . A 375 ASP HA . 34503 1 352 . 1 . 1 32 32 ASP HB2 H 1 2.969 0.003 . . . . . . A 375 ASP HB2 . 34503 1 353 . 1 . 1 32 32 ASP HB3 H 1 2.478 0.004 . . . . . . A 375 ASP HB3 . 34503 1 354 . 1 . 1 32 32 ASP CA C 13 53.198 0.006 . . . . . . A 375 ASP CA . 34503 1 355 . 1 . 1 32 32 ASP CB C 13 40.770 0.008 . . . . . . A 375 ASP CB . 34503 1 356 . 1 . 1 32 32 ASP N N 15 118.192 0.010 . . . . . . A 375 ASP N . 34503 1 357 . 1 . 1 33 33 GLY H H 1 10.256 0.001 . . . . . . A 376 GLY H . 34503 1 358 . 1 . 1 33 33 GLY HA2 H 1 4.195 0.020 . . . . . . A 376 GLY HA2 . 34503 1 359 . 1 . 1 33 33 GLY HA3 H 1 3.673 0.020 . . . . . . A 376 GLY HA3 . 34503 1 360 . 1 . 1 33 33 GLY CA C 13 45.761 0.001 . . . . . . A 376 GLY CA . 34503 1 361 . 1 . 1 33 33 GLY N N 15 112.257 0.006 . . . . . . A 376 GLY N . 34503 1 362 . 1 . 1 34 34 LYS H H 1 7.808 0.003 . . . . . . A 377 LYS H . 34503 1 363 . 1 . 1 34 34 LYS HA H 1 5.427 0.020 . . . . . . A 377 LYS HA . 34503 1 364 . 1 . 1 34 34 LYS HB2 H 1 1.593 0.020 . . . . . . A 377 LYS HB2 . 34503 1 365 . 1 . 1 34 34 LYS HB3 H 1 1.486 0.020 . . . . . . A 377 LYS HB3 . 34503 1 366 . 1 . 1 34 34 LYS HG2 H 1 1.293 0.020 . . . . . . A 377 LYS HG2 . 34503 1 367 . 1 . 1 34 34 LYS HG3 H 1 1.149 0.020 . . . . . . A 377 LYS HG3 . 34503 1 368 . 1 . 1 34 34 LYS HD2 H 1 1.575 0.020 . . . . . . A 377 LYS HD2 . 34503 1 369 . 1 . 1 34 34 LYS HD3 H 1 1.449 0.020 . . . . . . A 377 LYS HD3 . 34503 1 370 . 1 . 1 34 34 LYS HE2 H 1 2.868 0.020 . . . . . . A 377 LYS HE2 . 34503 1 371 . 1 . 1 34 34 LYS HE3 H 1 2.868 0.020 . . . . . . A 377 LYS HE3 . 34503 1 372 . 1 . 1 34 34 LYS CA C 13 54.576 0.200 . . . . . . A 377 LYS CA . 34503 1 373 . 1 . 1 34 34 LYS CB C 13 37.921 0.002 . . . . . . A 377 LYS CB . 34503 1 374 . 1 . 1 34 34 LYS CG C 13 25.277 0.053 . . . . . . A 377 LYS CG . 34503 1 375 . 1 . 1 34 34 LYS CD C 13 29.425 0.012 . . . . . . A 377 LYS CD . 34503 1 376 . 1 . 1 34 34 LYS CE C 13 42.466 0.200 . . . . . . A 377 LYS CE . 34503 1 377 . 1 . 1 34 34 LYS N N 15 117.418 0.025 . . . . . . A 377 LYS N . 34503 1 378 . 1 . 1 35 35 ILE H H 1 9.235 0.003 . . . . . . A 378 ILE H . 34503 1 379 . 1 . 1 35 35 ILE HA H 1 4.744 0.001 . . . . . . A 378 ILE HA . 34503 1 380 . 1 . 1 35 35 ILE HB H 1 1.888 0.003 . . . . . . A 378 ILE HB . 34503 1 381 . 1 . 1 35 35 ILE HG12 H 1 1.370 0.012 . . . . . . A 378 ILE HG12 . 34503 1 382 . 1 . 1 35 35 ILE HG13 H 1 1.161 0.002 . . . . . . A 378 ILE HG13 . 34503 1 383 . 1 . 1 35 35 ILE HG21 H 1 0.201 0.004 . . . . . . A 378 ILE HG21 . 34503 1 384 . 1 . 1 35 35 ILE HG22 H 1 0.201 0.004 . . . . . . A 378 ILE HG22 . 34503 1 385 . 1 . 1 35 35 ILE HG23 H 1 0.201 0.004 . . . . . . A 378 ILE HG23 . 34503 1 386 . 1 . 1 35 35 ILE HD11 H 1 0.421 0.004 . . . . . . A 378 ILE HD11 . 34503 1 387 . 1 . 1 35 35 ILE HD12 H 1 0.421 0.004 . . . . . . A 378 ILE HD12 . 34503 1 388 . 1 . 1 35 35 ILE HD13 H 1 0.421 0.004 . . . . . . A 378 ILE HD13 . 34503 1 389 . 1 . 1 35 35 ILE CA C 13 59.546 0.136 . . . . . . A 378 ILE CA . 34503 1 390 . 1 . 1 35 35 ILE CB C 13 40.335 0.046 . . . . . . A 378 ILE CB . 34503 1 391 . 1 . 1 35 35 ILE CG1 C 13 25.371 0.056 . . . . . . A 378 ILE CG1 . 34503 1 392 . 1 . 1 35 35 ILE CG2 C 13 16.865 0.019 . . . . . . A 378 ILE CG2 . 34503 1 393 . 1 . 1 35 35 ILE CD1 C 13 14.140 0.003 . . . . . . A 378 ILE CD1 . 34503 1 394 . 1 . 1 35 35 ILE N N 15 118.865 0.015 . . . . . . A 378 ILE N . 34503 1 395 . 1 . 1 36 36 THR H H 1 8.448 0.001 . . . . . . A 379 THR H . 34503 1 396 . 1 . 1 36 36 THR HA H 1 4.510 0.020 . . . . . . A 379 THR HA . 34503 1 397 . 1 . 1 36 36 THR HB H 1 4.726 0.002 . . . . . . A 379 THR HB . 34503 1 398 . 1 . 1 36 36 THR HG21 H 1 1.208 0.001 . . . . . . A 379 THR HG21 . 34503 1 399 . 1 . 1 36 36 THR HG22 H 1 1.208 0.001 . . . . . . A 379 THR HG22 . 34503 1 400 . 1 . 1 36 36 THR HG23 H 1 1.208 0.001 . . . . . . A 379 THR HG23 . 34503 1 401 . 1 . 1 36 36 THR CA C 13 61.006 0.001 . . . . . . A 379 THR CA . 34503 1 402 . 1 . 1 36 36 THR CB C 13 71.016 0.026 . . . . . . A 379 THR CB . 34503 1 403 . 1 . 1 36 36 THR CG2 C 13 21.817 0.010 . . . . . . A 379 THR CG2 . 34503 1 404 . 1 . 1 36 36 THR N N 15 113.418 0.015 . . . . . . A 379 THR N . 34503 1 405 . 1 . 1 37 37 GLY H H 1 8.981 0.001 . . . . . . A 380 GLY H . 34503 1 406 . 1 . 1 37 37 GLY HA2 H 1 3.625 0.002 . . . . . . A 380 GLY HA2 . 34503 1 407 . 1 . 1 37 37 GLY HA3 H 1 3.625 0.002 . . . . . . A 380 GLY HA3 . 34503 1 408 . 1 . 1 37 37 GLY CA C 13 48.246 0.007 . . . . . . A 380 GLY CA . 34503 1 409 . 1 . 1 37 37 GLY N N 15 108.702 0.003 . . . . . . A 380 GLY N . 34503 1 410 . 1 . 1 38 38 GLU H H 1 8.188 0.020 . . . . . . A 381 GLU H . 34503 1 411 . 1 . 1 38 38 GLU HA H 1 3.804 0.020 . . . . . . A 381 GLU HA . 34503 1 412 . 1 . 1 38 38 GLU HB2 H 1 1.875 0.020 . . . . . . A 381 GLU HB2 . 34503 1 413 . 1 . 1 38 38 GLU HB3 H 1 1.762 0.020 . . . . . . A 381 GLU HB3 . 34503 1 414 . 1 . 1 38 38 GLU HG2 H 1 2.114 0.020 . . . . . . A 381 GLU HG2 . 34503 1 415 . 1 . 1 38 38 GLU HG3 H 1 2.114 0.020 . . . . . . A 381 GLU HG3 . 34503 1 416 . 1 . 1 38 38 GLU CA C 13 59.370 0.200 . . . . . . A 381 GLU CA . 34503 1 417 . 1 . 1 38 38 GLU CB C 13 29.608 0.043 . . . . . . A 381 GLU CB . 34503 1 418 . 1 . 1 38 38 GLU CG C 13 36.138 0.200 . . . . . . A 381 GLU CG . 34503 1 419 . 1 . 1 38 38 GLU N N 15 120.957 0.002 . . . . . . A 381 GLU N . 34503 1 420 . 1 . 1 39 39 GLN H H 1 7.634 0.002 . . . . . . A 382 GLN H . 34503 1 421 . 1 . 1 39 39 GLN HA H 1 3.823 0.003 . . . . . . A 382 GLN HA . 34503 1 422 . 1 . 1 39 39 GLN HB2 H 1 2.311 0.008 . . . . . . A 382 GLN HB2 . 34503 1 423 . 1 . 1 39 39 GLN HB3 H 1 1.514 0.007 . . . . . . A 382 GLN HB3 . 34503 1 424 . 1 . 1 39 39 GLN HG2 H 1 2.461 0.003 . . . . . . A 382 GLN HG2 . 34503 1 425 . 1 . 1 39 39 GLN HG3 H 1 2.334 0.003 . . . . . . A 382 GLN HG3 . 34503 1 426 . 1 . 1 39 39 GLN HE21 H 1 7.491 0.006 . . . . . . A 382 GLN HE21 . 34503 1 427 . 1 . 1 39 39 GLN HE22 H 1 6.712 0.002 . . . . . . A 382 GLN HE22 . 34503 1 428 . 1 . 1 39 39 GLN CA C 13 58.657 0.061 . . . . . . A 382 GLN CA . 34503 1 429 . 1 . 1 39 39 GLN CB C 13 28.774 0.123 . . . . . . A 382 GLN CB . 34503 1 430 . 1 . 1 39 39 GLN CG C 13 34.773 0.037 . . . . . . A 382 GLN CG . 34503 1 431 . 1 . 1 39 39 GLN N N 15 118.590 0.008 . . . . . . A 382 GLN N . 34503 1 432 . 1 . 1 39 39 GLN NE2 N 15 111.767 0.020 . . . . . . A 382 GLN NE2 . 34503 1 433 . 1 . 1 40 40 ALA H H 1 8.522 0.001 . . . . . . A 383 ALA H . 34503 1 434 . 1 . 1 40 40 ALA HA H 1 3.488 0.003 . . . . . . A 383 ALA HA . 34503 1 435 . 1 . 1 40 40 ALA HB1 H 1 1.332 0.002 . . . . . . A 383 ALA HB1 . 34503 1 436 . 1 . 1 40 40 ALA HB2 H 1 1.332 0.002 . . . . . . A 383 ALA HB2 . 34503 1 437 . 1 . 1 40 40 ALA HB3 H 1 1.332 0.002 . . . . . . A 383 ALA HB3 . 34503 1 438 . 1 . 1 40 40 ALA CA C 13 54.881 0.021 . . . . . . A 383 ALA CA . 34503 1 439 . 1 . 1 40 40 ALA CB C 13 18.996 0.009 . . . . . . A 383 ALA CB . 34503 1 440 . 1 . 1 40 40 ALA N N 15 120.852 0.022 . . . . . . A 383 ALA N . 34503 1 441 . 1 . 1 41 41 ARG H H 1 8.319 0.001 . . . . . . A 384 ARG H . 34503 1 442 . 1 . 1 41 41 ARG HA H 1 3.589 0.020 . . . . . . A 384 ARG HA . 34503 1 443 . 1 . 1 41 41 ARG HB2 H 1 1.653 0.020 . . . . . . A 384 ARG HB2 . 34503 1 444 . 1 . 1 41 41 ARG HB3 H 1 1.653 0.020 . . . . . . A 384 ARG HB3 . 34503 1 445 . 1 . 1 41 41 ARG HG2 H 1 1.542 0.020 . . . . . . A 384 ARG HG2 . 34503 1 446 . 1 . 1 41 41 ARG HG3 H 1 1.262 0.020 . . . . . . A 384 ARG HG3 . 34503 1 447 . 1 . 1 41 41 ARG HD2 H 1 2.878 0.020 . . . . . . A 384 ARG HD2 . 34503 1 448 . 1 . 1 41 41 ARG HD3 H 1 2.878 0.020 . . . . . . A 384 ARG HD3 . 34503 1 449 . 1 . 1 41 41 ARG CA C 13 60.433 0.200 . . . . . . A 384 ARG CA . 34503 1 450 . 1 . 1 41 41 ARG CB C 13 29.752 0.200 . . . . . . A 384 ARG CB . 34503 1 451 . 1 . 1 41 41 ARG CG C 13 28.549 0.027 . . . . . . A 384 ARG CG . 34503 1 452 . 1 . 1 41 41 ARG CD C 13 43.091 0.200 . . . . . . A 384 ARG CD . 34503 1 453 . 1 . 1 41 41 ARG N N 15 115.939 0.013 . . . . . . A 384 ARG N . 34503 1 454 . 1 . 1 42 42 ASN H H 1 7.730 0.004 . . . . . . A 385 ASN H . 34503 1 455 . 1 . 1 42 42 ASN HA H 1 4.341 0.004 . . . . . . A 385 ASN HA . 34503 1 456 . 1 . 1 42 42 ASN HB2 H 1 2.723 0.002 . . . . . . A 385 ASN HB2 . 34503 1 457 . 1 . 1 42 42 ASN HB3 H 1 2.655 0.003 . . . . . . A 385 ASN HB3 . 34503 1 458 . 1 . 1 42 42 ASN HD21 H 1 7.509 0.002 . . . . . . A 385 ASN HD21 . 34503 1 459 . 1 . 1 42 42 ASN HD22 H 1 6.903 0.020 . . . . . . A 385 ASN HD22 . 34503 1 460 . 1 . 1 42 42 ASN CA C 13 56.180 0.042 . . . . . . A 385 ASN CA . 34503 1 461 . 1 . 1 42 42 ASN CB C 13 38.105 0.023 . . . . . . A 385 ASN CB . 34503 1 462 . 1 . 1 42 42 ASN N N 15 115.503 0.017 . . . . . . A 385 ASN N . 34503 1 463 . 1 . 1 42 42 ASN ND2 N 15 112.821 0.009 . . . . . . A 385 ASN ND2 . 34503 1 464 . 1 . 1 43 43 LEU H H 1 7.387 0.001 . . . . . . A 386 LEU H . 34503 1 465 . 1 . 1 43 43 LEU HA H 1 3.997 0.020 . . . . . . A 386 LEU HA . 34503 1 466 . 1 . 1 43 43 LEU HB2 H 1 1.506 0.020 . . . . . . A 386 LEU HB2 . 34503 1 467 . 1 . 1 43 43 LEU HB3 H 1 1.506 0.020 . . . . . . A 386 LEU HB3 . 34503 1 468 . 1 . 1 43 43 LEU HG H 1 1.202 0.020 . . . . . . A 386 LEU HG . 34503 1 469 . 1 . 1 43 43 LEU HD11 H 1 0.787 0.020 . . . . . . A 386 LEU HD11 . 34503 1 470 . 1 . 1 43 43 LEU HD12 H 1 0.787 0.020 . . . . . . A 386 LEU HD12 . 34503 1 471 . 1 . 1 43 43 LEU HD13 H 1 0.787 0.020 . . . . . . A 386 LEU HD13 . 34503 1 472 . 1 . 1 43 43 LEU HD21 H 1 0.844 0.020 . . . . . . A 386 LEU HD21 . 34503 1 473 . 1 . 1 43 43 LEU HD22 H 1 0.844 0.020 . . . . . . A 386 LEU HD22 . 34503 1 474 . 1 . 1 43 43 LEU HD23 H 1 0.844 0.020 . . . . . . A 386 LEU HD23 . 34503 1 475 . 1 . 1 43 43 LEU CA C 13 57.640 0.200 . . . . . . A 386 LEU CA . 34503 1 476 . 1 . 1 43 43 LEU CB C 13 41.620 0.200 . . . . . . A 386 LEU CB . 34503 1 477 . 1 . 1 43 43 LEU CG C 13 26.771 0.200 . . . . . . A 386 LEU CG . 34503 1 478 . 1 . 1 43 43 LEU CD1 C 13 24.353 0.200 . . . . . . A 386 LEU CD1 . 34503 1 479 . 1 . 1 43 43 LEU CD2 C 13 25.220 0.200 . . . . . . A 386 LEU CD2 . 34503 1 480 . 1 . 1 43 43 LEU N N 15 121.989 0.005 . . . . . . A 386 LEU N . 34503 1 481 . 1 . 1 44 44 PHE H H 1 8.580 0.002 . . . . . . A 387 PHE H . 34503 1 482 . 1 . 1 44 44 PHE HA H 1 4.249 0.013 . . . . . . A 387 PHE HA . 34503 1 483 . 1 . 1 44 44 PHE HB2 H 1 3.128 0.007 . . . . . . A 387 PHE HB2 . 34503 1 484 . 1 . 1 44 44 PHE HB3 H 1 3.128 0.007 . . . . . . A 387 PHE HB3 . 34503 1 485 . 1 . 1 44 44 PHE HD1 H 1 6.785 0.006 . . . . . . A 387 PHE HD1 . 34503 1 486 . 1 . 1 44 44 PHE HD2 H 1 6.785 0.006 . . . . . . A 387 PHE HD2 . 34503 1 487 . 1 . 1 44 44 PHE HE1 H 1 7.025 0.001 . . . . . . A 387 PHE HE1 . 34503 1 488 . 1 . 1 44 44 PHE HE2 H 1 7.025 0.001 . . . . . . A 387 PHE HE2 . 34503 1 489 . 1 . 1 44 44 PHE HZ H 1 7.085 0.020 . . . . . . A 387 PHE HZ . 34503 1 490 . 1 . 1 44 44 PHE CA C 13 57.431 0.007 . . . . . . A 387 PHE CA . 34503 1 491 . 1 . 1 44 44 PHE CB C 13 37.405 0.006 . . . . . . A 387 PHE CB . 34503 1 492 . 1 . 1 44 44 PHE CD1 C 13 130.182 0.013 . . . . . . A 387 PHE CD1 . 34503 1 493 . 1 . 1 44 44 PHE CD2 C 13 130.182 0.013 . . . . . . A 387 PHE CD2 . 34503 1 494 . 1 . 1 44 44 PHE CE1 C 13 130.265 0.008 . . . . . . A 387 PHE CE1 . 34503 1 495 . 1 . 1 44 44 PHE CE2 C 13 130.265 0.008 . . . . . . A 387 PHE CE2 . 34503 1 496 . 1 . 1 44 44 PHE CZ C 13 129.067 0.200 . . . . . . A 387 PHE CZ . 34503 1 497 . 1 . 1 44 44 PHE N N 15 118.467 0.015 . . . . . . A 387 PHE N . 34503 1 498 . 1 . 1 45 45 LEU H H 1 8.259 0.001 . . . . . . A 388 LEU H . 34503 1 499 . 1 . 1 45 45 LEU HA H 1 4.174 0.020 . . . . . . A 388 LEU HA . 34503 1 500 . 1 . 1 45 45 LEU HB2 H 1 1.888 0.020 . . . . . . A 388 LEU HB2 . 34503 1 501 . 1 . 1 45 45 LEU HB3 H 1 1.529 0.020 . . . . . . A 388 LEU HB3 . 34503 1 502 . 1 . 1 45 45 LEU HG H 1 1.851 0.020 . . . . . . A 388 LEU HG . 34503 1 503 . 1 . 1 45 45 LEU HD11 H 1 0.857 0.020 . . . . . . A 388 LEU HD11 . 34503 1 504 . 1 . 1 45 45 LEU HD12 H 1 0.857 0.020 . . . . . . A 388 LEU HD12 . 34503 1 505 . 1 . 1 45 45 LEU HD13 H 1 0.857 0.020 . . . . . . A 388 LEU HD13 . 34503 1 506 . 1 . 1 45 45 LEU HD21 H 1 0.856 0.020 . . . . . . A 388 LEU HD21 . 34503 1 507 . 1 . 1 45 45 LEU HD22 H 1 0.856 0.020 . . . . . . A 388 LEU HD22 . 34503 1 508 . 1 . 1 45 45 LEU HD23 H 1 0.856 0.020 . . . . . . A 388 LEU HD23 . 34503 1 509 . 1 . 1 45 45 LEU CA C 13 58.215 0.200 . . . . . . A 388 LEU CA . 34503 1 510 . 1 . 1 45 45 LEU CB C 13 41.769 0.015 . . . . . . A 388 LEU CB . 34503 1 511 . 1 . 1 45 45 LEU CG C 13 26.757 0.200 . . . . . . A 388 LEU CG . 34503 1 512 . 1 . 1 45 45 LEU CD1 C 13 25.261 0.200 . . . . . . A 388 LEU CD1 . 34503 1 513 . 1 . 1 45 45 LEU CD2 C 13 23.288 0.200 . . . . . . A 388 LEU CD2 . 34503 1 514 . 1 . 1 45 45 LEU N N 15 119.910 0.007 . . . . . . A 388 LEU N . 34503 1 515 . 1 . 1 46 46 SER H H 1 7.924 0.002 . . . . . . A 389 SER H . 34503 1 516 . 1 . 1 46 46 SER HA H 1 4.316 0.002 . . . . . . A 389 SER HA . 34503 1 517 . 1 . 1 46 46 SER HB2 H 1 4.030 0.020 . . . . . . A 389 SER HB2 . 34503 1 518 . 1 . 1 46 46 SER HB3 H 1 3.989 0.007 . . . . . . A 389 SER HB3 . 34503 1 519 . 1 . 1 46 46 SER CA C 13 61.251 0.001 . . . . . . A 389 SER CA . 34503 1 520 . 1 . 1 46 46 SER CB C 13 62.992 0.007 . . . . . . A 389 SER CB . 34503 1 521 . 1 . 1 46 46 SER N N 15 116.431 0.035 . . . . . . A 389 SER N . 34503 1 522 . 1 . 1 47 47 TRP H H 1 7.840 0.003 . . . . . . A 390 TRP H . 34503 1 523 . 1 . 1 47 47 TRP HA H 1 4.573 0.002 . . . . . . A 390 TRP HA . 34503 1 524 . 1 . 1 47 47 TRP HB2 H 1 3.377 0.001 . . . . . . A 390 TRP HB2 . 34503 1 525 . 1 . 1 47 47 TRP HB3 H 1 3.312 0.001 . . . . . . A 390 TRP HB3 . 34503 1 526 . 1 . 1 47 47 TRP HD1 H 1 7.170 0.020 . . . . . . A 390 TRP HD1 . 34503 1 527 . 1 . 1 47 47 TRP HE1 H 1 10.092 0.005 . . . . . . A 390 TRP HE1 . 34503 1 528 . 1 . 1 47 47 TRP HE3 H 1 7.387 0.020 . . . . . . A 390 TRP HE3 . 34503 1 529 . 1 . 1 47 47 TRP HZ2 H 1 7.369 0.006 . . . . . . A 390 TRP HZ2 . 34503 1 530 . 1 . 1 47 47 TRP HZ3 H 1 6.731 0.004 . . . . . . A 390 TRP HZ3 . 34503 1 531 . 1 . 1 47 47 TRP HH2 H 1 7.011 0.003 . . . . . . A 390 TRP HH2 . 34503 1 532 . 1 . 1 47 47 TRP CA C 13 57.689 0.005 . . . . . . A 390 TRP CA . 34503 1 533 . 1 . 1 47 47 TRP CB C 13 28.578 0.073 . . . . . . A 390 TRP CB . 34503 1 534 . 1 . 1 47 47 TRP CD1 C 13 125.211 0.200 . . . . . . A 390 TRP CD1 . 34503 1 535 . 1 . 1 47 47 TRP CE3 C 13 120.345 0.200 . . . . . . A 390 TRP CE3 . 34503 1 536 . 1 . 1 47 47 TRP CZ2 C 13 114.460 0.040 . . . . . . A 390 TRP CZ2 . 34503 1 537 . 1 . 1 47 47 TRP CZ3 C 13 121.457 0.020 . . . . . . A 390 TRP CZ3 . 34503 1 538 . 1 . 1 47 47 TRP CH2 C 13 123.857 0.015 . . . . . . A 390 TRP CH2 . 34503 1 539 . 1 . 1 47 47 TRP N N 15 122.635 0.014 . . . . . . A 390 TRP N . 34503 1 540 . 1 . 1 47 47 TRP NE1 N 15 128.249 0.004 . . . . . . A 390 TRP NE1 . 34503 1 541 . 1 . 1 48 48 ARG H H 1 8.053 0.003 . . . . . . A 391 ARG H . 34503 1 542 . 1 . 1 48 48 ARG HA H 1 3.971 0.020 . . . . . . A 391 ARG HA . 34503 1 543 . 1 . 1 48 48 ARG HB2 H 1 1.577 0.005 . . . . . . A 391 ARG HB2 . 34503 1 544 . 1 . 1 48 48 ARG HB3 H 1 1.577 0.005 . . . . . . A 391 ARG HB3 . 34503 1 545 . 1 . 1 48 48 ARG HG2 H 1 2.079 0.020 . . . . . . A 391 ARG HG2 . 34503 1 546 . 1 . 1 48 48 ARG HG3 H 1 1.980 0.020 . . . . . . A 391 ARG HG3 . 34503 1 547 . 1 . 1 48 48 ARG HD2 H 1 3.230 0.020 . . . . . . A 391 ARG HD2 . 34503 1 548 . 1 . 1 48 48 ARG HD3 H 1 3.203 0.020 . . . . . . A 391 ARG HD3 . 34503 1 549 . 1 . 1 48 48 ARG CA C 13 56.951 0.001 . . . . . . A 391 ARG CA . 34503 1 550 . 1 . 1 48 48 ARG CB C 13 27.415 0.042 . . . . . . A 391 ARG CB . 34503 1 551 . 1 . 1 48 48 ARG CG C 13 26.637 0.042 . . . . . . A 391 ARG CG . 34503 1 552 . 1 . 1 48 48 ARG CD C 13 43.428 0.045 . . . . . . A 391 ARG CD . 34503 1 553 . 1 . 1 48 48 ARG N N 15 113.763 0.021 . . . . . . A 391 ARG N . 34503 1 554 . 1 . 1 49 49 LEU H H 1 7.905 0.002 . . . . . . A 392 LEU H . 34503 1 555 . 1 . 1 49 49 LEU HA H 1 4.647 0.020 . . . . . . A 392 LEU HA . 34503 1 556 . 1 . 1 49 49 LEU HB2 H 1 1.449 0.020 . . . . . . A 392 LEU HB2 . 34503 1 557 . 1 . 1 49 49 LEU HB3 H 1 1.177 0.020 . . . . . . A 392 LEU HB3 . 34503 1 558 . 1 . 1 49 49 LEU HG H 1 1.688 0.020 . . . . . . A 392 LEU HG . 34503 1 559 . 1 . 1 49 49 LEU HD11 H 1 0.758 0.020 . . . . . . A 392 LEU HD11 . 34503 1 560 . 1 . 1 49 49 LEU HD12 H 1 0.758 0.020 . . . . . . A 392 LEU HD12 . 34503 1 561 . 1 . 1 49 49 LEU HD13 H 1 0.758 0.020 . . . . . . A 392 LEU HD13 . 34503 1 562 . 1 . 1 49 49 LEU HD21 H 1 0.819 0.020 . . . . . . A 392 LEU HD21 . 34503 1 563 . 1 . 1 49 49 LEU HD22 H 1 0.819 0.020 . . . . . . A 392 LEU HD22 . 34503 1 564 . 1 . 1 49 49 LEU HD23 H 1 0.819 0.020 . . . . . . A 392 LEU HD23 . 34503 1 565 . 1 . 1 49 49 LEU CA C 13 52.935 0.200 . . . . . . A 392 LEU CA . 34503 1 566 . 1 . 1 49 49 LEU CB C 13 42.173 0.020 . . . . . . A 392 LEU CB . 34503 1 567 . 1 . 1 49 49 LEU CG C 13 27.237 0.200 . . . . . . A 392 LEU CG . 34503 1 568 . 1 . 1 49 49 LEU CD1 C 13 25.534 0.200 . . . . . . A 392 LEU CD1 . 34503 1 569 . 1 . 1 49 49 LEU CD2 C 13 24.267 0.200 . . . . . . A 392 LEU CD2 . 34503 1 570 . 1 . 1 49 49 LEU N N 15 120.437 0.006 . . . . . . A 392 LEU N . 34503 1 571 . 1 . 1 50 50 PRO HA H 1 4.461 0.011 . . . . . . A 393 PRO HA . 34503 1 572 . 1 . 1 50 50 PRO HB2 H 1 2.574 0.006 . . . . . . A 393 PRO HB2 . 34503 1 573 . 1 . 1 50 50 PRO HB3 H 1 1.743 0.005 . . . . . . A 393 PRO HB3 . 34503 1 574 . 1 . 1 50 50 PRO HG2 H 1 2.188 0.004 . . . . . . A 393 PRO HG2 . 34503 1 575 . 1 . 1 50 50 PRO HG3 H 1 2.154 0.002 . . . . . . A 393 PRO HG3 . 34503 1 576 . 1 . 1 50 50 PRO HD2 H 1 4.151 0.020 . . . . . . A 393 PRO HD2 . 34503 1 577 . 1 . 1 50 50 PRO HD3 H 1 3.154 0.020 . . . . . . A 393 PRO HD3 . 34503 1 578 . 1 . 1 50 50 PRO CA C 13 62.712 0.073 . . . . . . A 393 PRO CA . 34503 1 579 . 1 . 1 50 50 PRO CB C 13 32.833 0.067 . . . . . . A 393 PRO CB . 34503 1 580 . 1 . 1 50 50 PRO CG C 13 28.273 0.023 . . . . . . A 393 PRO CG . 34503 1 581 . 1 . 1 50 50 PRO CD C 13 50.817 0.011 . . . . . . A 393 PRO CD . 34503 1 582 . 1 . 1 51 51 ARG H H 1 8.912 0.002 . . . . . . A 394 ARG H . 34503 1 583 . 1 . 1 51 51 ARG HA H 1 3.822 0.003 . . . . . . A 394 ARG HA . 34503 1 584 . 1 . 1 51 51 ARG HB2 H 1 1.872 0.011 . . . . . . A 394 ARG HB2 . 34503 1 585 . 1 . 1 51 51 ARG HB3 H 1 1.799 0.004 . . . . . . A 394 ARG HB3 . 34503 1 586 . 1 . 1 51 51 ARG HG2 H 1 1.710 0.005 . . . . . . A 394 ARG HG2 . 34503 1 587 . 1 . 1 51 51 ARG HG3 H 1 1.596 0.004 . . . . . . A 394 ARG HG3 . 34503 1 588 . 1 . 1 51 51 ARG HD2 H 1 3.184 0.005 . . . . . . A 394 ARG HD2 . 34503 1 589 . 1 . 1 51 51 ARG HD3 H 1 3.184 0.005 . . . . . . A 394 ARG HD3 . 34503 1 590 . 1 . 1 51 51 ARG CA C 13 60.182 0.008 . . . . . . A 394 ARG CA . 34503 1 591 . 1 . 1 51 51 ARG CB C 13 30.000 0.033 . . . . . . A 394 ARG CB . 34503 1 592 . 1 . 1 51 51 ARG CG C 13 27.561 0.040 . . . . . . A 394 ARG CG . 34503 1 593 . 1 . 1 51 51 ARG CD C 13 43.255 0.023 . . . . . . A 394 ARG CD . 34503 1 594 . 1 . 1 51 51 ARG N N 15 124.675 0.009 . . . . . . A 394 ARG N . 34503 1 595 . 1 . 1 52 52 GLU H H 1 9.615 0.002 . . . . . . A 395 GLU H . 34503 1 596 . 1 . 1 52 52 GLU HA H 1 4.011 0.020 . . . . . . A 395 GLU HA . 34503 1 597 . 1 . 1 52 52 GLU HB2 H 1 1.986 0.020 . . . . . . A 395 GLU HB2 . 34503 1 598 . 1 . 1 52 52 GLU HB3 H 1 1.986 0.020 . . . . . . A 395 GLU HB3 . 34503 1 599 . 1 . 1 52 52 GLU HG2 H 1 2.303 0.020 . . . . . . A 395 GLU HG2 . 34503 1 600 . 1 . 1 52 52 GLU HG3 H 1 2.303 0.020 . . . . . . A 395 GLU HG3 . 34503 1 601 . 1 . 1 52 52 GLU CA C 13 59.543 0.200 . . . . . . A 395 GLU CA . 34503 1 602 . 1 . 1 52 52 GLU CB C 13 28.649 0.200 . . . . . . A 395 GLU CB . 34503 1 603 . 1 . 1 52 52 GLU CG C 13 36.304 0.200 . . . . . . A 395 GLU CG . 34503 1 604 . 1 . 1 52 52 GLU N N 15 118.065 0.020 . . . . . . A 395 GLU N . 34503 1 605 . 1 . 1 53 53 VAL H H 1 6.891 0.001 . . . . . . A 396 VAL H . 34503 1 606 . 1 . 1 53 53 VAL HA H 1 3.699 0.020 . . . . . . A 396 VAL HA . 34503 1 607 . 1 . 1 53 53 VAL HB H 1 1.799 0.020 . . . . . . A 396 VAL HB . 34503 1 608 . 1 . 1 53 53 VAL HG11 H 1 0.179 0.020 . . . . . . A 396 VAL HG11 . 34503 1 609 . 1 . 1 53 53 VAL HG12 H 1 0.179 0.020 . . . . . . A 396 VAL HG12 . 34503 1 610 . 1 . 1 53 53 VAL HG13 H 1 0.179 0.020 . . . . . . A 396 VAL HG13 . 34503 1 611 . 1 . 1 53 53 VAL HG21 H 1 0.778 0.001 . . . . . . A 396 VAL HG21 . 34503 1 612 . 1 . 1 53 53 VAL HG22 H 1 0.778 0.001 . . . . . . A 396 VAL HG22 . 34503 1 613 . 1 . 1 53 53 VAL HG23 H 1 0.778 0.001 . . . . . . A 396 VAL HG23 . 34503 1 614 . 1 . 1 53 53 VAL CA C 13 65.051 0.022 . . . . . . A 396 VAL CA . 34503 1 615 . 1 . 1 53 53 VAL CB C 13 31.694 0.003 . . . . . . A 396 VAL CB . 34503 1 616 . 1 . 1 53 53 VAL CG1 C 13 20.162 0.002 . . . . . . A 396 VAL CG1 . 34503 1 617 . 1 . 1 53 53 VAL CG2 C 13 22.029 0.200 . . . . . . A 396 VAL CG2 . 34503 1 618 . 1 . 1 53 53 VAL N N 15 120.194 0.002 . . . . . . A 396 VAL N . 34503 1 619 . 1 . 1 54 54 LEU H H 1 7.829 0.001 . . . . . . A 397 LEU H . 34503 1 620 . 1 . 1 54 54 LEU HA H 1 3.662 0.001 . . . . . . A 397 LEU HA . 34503 1 621 . 1 . 1 54 54 LEU HB2 H 1 1.653 0.009 . . . . . . A 397 LEU HB2 . 34503 1 622 . 1 . 1 54 54 LEU HB3 H 1 1.606 0.003 . . . . . . A 397 LEU HB3 . 34503 1 623 . 1 . 1 54 54 LEU HG H 1 1.644 0.003 . . . . . . A 397 LEU HG . 34503 1 624 . 1 . 1 54 54 LEU HD11 H 1 0.891 0.004 . . . . . . A 397 LEU HD11 . 34503 1 625 . 1 . 1 54 54 LEU HD12 H 1 0.891 0.004 . . . . . . A 397 LEU HD12 . 34503 1 626 . 1 . 1 54 54 LEU HD13 H 1 0.891 0.004 . . . . . . A 397 LEU HD13 . 34503 1 627 . 1 . 1 54 54 LEU HD21 H 1 0.805 0.002 . . . . . . A 397 LEU HD21 . 34503 1 628 . 1 . 1 54 54 LEU HD22 H 1 0.805 0.002 . . . . . . A 397 LEU HD22 . 34503 1 629 . 1 . 1 54 54 LEU HD23 H 1 0.805 0.002 . . . . . . A 397 LEU HD23 . 34503 1 630 . 1 . 1 54 54 LEU CA C 13 58.598 0.006 . . . . . . A 397 LEU CA . 34503 1 631 . 1 . 1 54 54 LEU CB C 13 41.426 0.008 . . . . . . A 397 LEU CB . 34503 1 632 . 1 . 1 54 54 LEU CG C 13 27.167 0.012 . . . . . . A 397 LEU CG . 34503 1 633 . 1 . 1 54 54 LEU CD1 C 13 25.614 0.016 . . . . . . A 397 LEU CD1 . 34503 1 634 . 1 . 1 54 54 LEU CD2 C 13 24.523 0.025 . . . . . . A 397 LEU CD2 . 34503 1 635 . 1 . 1 54 54 LEU N N 15 120.195 0.005 . . . . . . A 397 LEU N . 34503 1 636 . 1 . 1 55 55 LYS H H 1 7.835 0.001 . . . . . . A 398 LYS H . 34503 1 637 . 1 . 1 55 55 LYS HA H 1 4.027 0.002 . . . . . . A 398 LYS HA . 34503 1 638 . 1 . 1 55 55 LYS HB2 H 1 1.798 0.020 . . . . . . A 398 LYS HB2 . 34503 1 639 . 1 . 1 55 55 LYS HB3 H 1 1.798 0.020 . . . . . . A 398 LYS HB3 . 34503 1 640 . 1 . 1 55 55 LYS HG2 H 1 1.453 0.003 . . . . . . A 398 LYS HG2 . 34503 1 641 . 1 . 1 55 55 LYS HG3 H 1 1.299 0.004 . . . . . . A 398 LYS HG3 . 34503 1 642 . 1 . 1 55 55 LYS HD2 H 1 1.624 0.020 . . . . . . A 398 LYS HD2 . 34503 1 643 . 1 . 1 55 55 LYS HD3 H 1 1.577 0.015 . . . . . . A 398 LYS HD3 . 34503 1 644 . 1 . 1 55 55 LYS HE2 H 1 2.897 0.020 . . . . . . A 398 LYS HE2 . 34503 1 645 . 1 . 1 55 55 LYS HE3 H 1 2.897 0.020 . . . . . . A 398 LYS HE3 . 34503 1 646 . 1 . 1 55 55 LYS CA C 13 59.675 0.009 . . . . . . A 398 LYS CA . 34503 1 647 . 1 . 1 55 55 LYS CB C 13 32.478 0.010 . . . . . . A 398 LYS CB . 34503 1 648 . 1 . 1 55 55 LYS CG C 13 24.730 0.032 . . . . . . A 398 LYS CG . 34503 1 649 . 1 . 1 55 55 LYS CD C 13 29.496 0.031 . . . . . . A 398 LYS CD . 34503 1 650 . 1 . 1 55 55 LYS CE C 13 42.055 0.200 . . . . . . A 398 LYS CE . 34503 1 651 . 1 . 1 55 55 LYS N N 15 118.373 0.019 . . . . . . A 398 LYS N . 34503 1 652 . 1 . 1 56 56 HIS H H 1 7.313 0.002 . . . . . . A 399 HIS H . 34503 1 653 . 1 . 1 56 56 HIS HA H 1 4.589 0.020 . . . . . . A 399 HIS HA . 34503 1 654 . 1 . 1 56 56 HIS HB2 H 1 3.235 0.020 . . . . . . A 399 HIS HB2 . 34503 1 655 . 1 . 1 56 56 HIS HB3 H 1 3.138 0.020 . . . . . . A 399 HIS HB3 . 34503 1 656 . 1 . 1 56 56 HIS HD2 H 1 6.990 0.007 . . . . . . A 399 HIS HD2 . 34503 1 657 . 1 . 1 56 56 HIS HE1 H 1 8.073 0.001 . . . . . . A 399 HIS HE1 . 34503 1 658 . 1 . 1 56 56 HIS CA C 13 57.844 0.200 . . . . . . A 399 HIS CA . 34503 1 659 . 1 . 1 56 56 HIS CB C 13 30.296 0.020 . . . . . . A 399 HIS CB . 34503 1 660 . 1 . 1 56 56 HIS CD2 C 13 118.190 0.200 . . . . . . A 399 HIS CD2 . 34503 1 661 . 1 . 1 56 56 HIS CE1 C 13 137.725 0.001 . . . . . . A 399 HIS CE1 . 34503 1 662 . 1 . 1 56 56 HIS N N 15 118.682 0.024 . . . . . . A 399 HIS N . 34503 1 663 . 1 . 1 57 57 VAL H H 1 8.630 0.002 . . . . . . A 400 VAL H . 34503 1 664 . 1 . 1 57 57 VAL HA H 1 3.208 0.004 . . . . . . A 400 VAL HA . 34503 1 665 . 1 . 1 57 57 VAL HB H 1 1.951 0.001 . . . . . . A 400 VAL HB . 34503 1 666 . 1 . 1 57 57 VAL HG11 H 1 0.545 0.003 . . . . . . A 400 VAL HG11 . 34503 1 667 . 1 . 1 57 57 VAL HG12 H 1 0.545 0.003 . . . . . . A 400 VAL HG12 . 34503 1 668 . 1 . 1 57 57 VAL HG13 H 1 0.545 0.003 . . . . . . A 400 VAL HG13 . 34503 1 669 . 1 . 1 57 57 VAL HG21 H 1 0.675 0.004 . . . . . . A 400 VAL HG21 . 34503 1 670 . 1 . 1 57 57 VAL HG22 H 1 0.675 0.004 . . . . . . A 400 VAL HG22 . 34503 1 671 . 1 . 1 57 57 VAL HG23 H 1 0.675 0.004 . . . . . . A 400 VAL HG23 . 34503 1 672 . 1 . 1 57 57 VAL CA C 13 67.438 0.050 . . . . . . A 400 VAL CA . 34503 1 673 . 1 . 1 57 57 VAL CB C 13 31.483 0.015 . . . . . . A 400 VAL CB . 34503 1 674 . 1 . 1 57 57 VAL CG1 C 13 21.422 0.025 . . . . . . A 400 VAL CG1 . 34503 1 675 . 1 . 1 57 57 VAL CG2 C 13 23.804 0.010 . . . . . . A 400 VAL CG2 . 34503 1 676 . 1 . 1 57 57 VAL N N 15 118.947 0.015 . . . . . . A 400 VAL N . 34503 1 677 . 1 . 1 58 58 TRP H H 1 8.584 0.007 . . . . . . A 401 TRP H . 34503 1 678 . 1 . 1 58 58 TRP HA H 1 3.892 0.020 . . . . . . A 401 TRP HA . 34503 1 679 . 1 . 1 58 58 TRP HB2 H 1 3.474 0.020 . . . . . . A 401 TRP HB2 . 34503 1 680 . 1 . 1 58 58 TRP HB3 H 1 3.320 0.020 . . . . . . A 401 TRP HB3 . 34503 1 681 . 1 . 1 58 58 TRP HD1 H 1 7.164 0.012 . . . . . . A 401 TRP HD1 . 34503 1 682 . 1 . 1 58 58 TRP HE1 H 1 10.171 0.015 . . . . . . A 401 TRP HE1 . 34503 1 683 . 1 . 1 58 58 TRP HE3 H 1 7.396 0.011 . . . . . . A 401 TRP HE3 . 34503 1 684 . 1 . 1 58 58 TRP HZ2 H 1 7.097 0.005 . . . . . . A 401 TRP HZ2 . 34503 1 685 . 1 . 1 58 58 TRP HZ3 H 1 6.733 0.002 . . . . . . A 401 TRP HZ3 . 34503 1 686 . 1 . 1 58 58 TRP HH2 H 1 6.733 0.006 . . . . . . A 401 TRP HH2 . 34503 1 687 . 1 . 1 58 58 TRP CA C 13 61.589 0.200 . . . . . . A 401 TRP CA . 34503 1 688 . 1 . 1 58 58 TRP CB C 13 28.591 0.009 . . . . . . A 401 TRP CB . 34503 1 689 . 1 . 1 58 58 TRP CD1 C 13 127.572 0.084 . . . . . . A 401 TRP CD1 . 34503 1 690 . 1 . 1 58 58 TRP CE3 C 13 118.736 0.028 . . . . . . A 401 TRP CE3 . 34503 1 691 . 1 . 1 58 58 TRP CZ2 C 13 114.701 0.043 . . . . . . A 401 TRP CZ2 . 34503 1 692 . 1 . 1 58 58 TRP CZ3 C 13 121.498 0.020 . . . . . . A 401 TRP CZ3 . 34503 1 693 . 1 . 1 58 58 TRP CH2 C 13 123.675 0.031 . . . . . . A 401 TRP CH2 . 34503 1 694 . 1 . 1 58 58 TRP N N 15 121.974 0.021 . . . . . . A 401 TRP N . 34503 1 695 . 1 . 1 58 58 TRP NE1 N 15 129.840 0.008 . . . . . . A 401 TRP NE1 . 34503 1 696 . 1 . 1 59 59 GLU H H 1 7.963 0.001 . . . . . . A 402 GLU H . 34503 1 697 . 1 . 1 59 59 GLU HA H 1 3.851 0.001 . . . . . . A 402 GLU HA . 34503 1 698 . 1 . 1 59 59 GLU HB2 H 1 2.224 0.020 . . . . . . A 402 GLU HB2 . 34503 1 699 . 1 . 1 59 59 GLU HB3 H 1 2.030 0.002 . . . . . . A 402 GLU HB3 . 34503 1 700 . 1 . 1 59 59 GLU HG2 H 1 2.585 0.001 . . . . . . A 402 GLU HG2 . 34503 1 701 . 1 . 1 59 59 GLU HG3 H 1 2.397 0.004 . . . . . . A 402 GLU HG3 . 34503 1 702 . 1 . 1 59 59 GLU CA C 13 58.960 0.001 . . . . . . A 402 GLU CA . 34503 1 703 . 1 . 1 59 59 GLU CB C 13 29.410 0.035 . . . . . . A 402 GLU CB . 34503 1 704 . 1 . 1 59 59 GLU CG C 13 36.505 0.041 . . . . . . A 402 GLU CG . 34503 1 705 . 1 . 1 59 59 GLU N N 15 116.589 0.005 . . . . . . A 402 GLU N . 34503 1 706 . 1 . 1 60 60 LEU H H 1 7.629 0.003 . . . . . . A 403 LEU H . 34503 1 707 . 1 . 1 60 60 LEU HA H 1 3.900 0.002 . . . . . . A 403 LEU HA . 34503 1 708 . 1 . 1 60 60 LEU HB2 H 1 1.607 0.001 . . . . . . A 403 LEU HB2 . 34503 1 709 . 1 . 1 60 60 LEU HB3 H 1 1.016 0.004 . . . . . . A 403 LEU HB3 . 34503 1 710 . 1 . 1 60 60 LEU HG H 1 1.489 0.001 . . . . . . A 403 LEU HG . 34503 1 711 . 1 . 1 60 60 LEU HD11 H 1 0.530 0.001 . . . . . . A 403 LEU HD11 . 34503 1 712 . 1 . 1 60 60 LEU HD12 H 1 0.530 0.001 . . . . . . A 403 LEU HD12 . 34503 1 713 . 1 . 1 60 60 LEU HD13 H 1 0.530 0.001 . . . . . . A 403 LEU HD13 . 34503 1 714 . 1 . 1 60 60 LEU HD21 H 1 0.554 0.002 . . . . . . A 403 LEU HD21 . 34503 1 715 . 1 . 1 60 60 LEU HD22 H 1 0.554 0.002 . . . . . . A 403 LEU HD22 . 34503 1 716 . 1 . 1 60 60 LEU HD23 H 1 0.554 0.002 . . . . . . A 403 LEU HD23 . 34503 1 717 . 1 . 1 60 60 LEU CA C 13 56.371 0.004 . . . . . . A 403 LEU CA . 34503 1 718 . 1 . 1 60 60 LEU CB C 13 43.691 0.025 . . . . . . A 403 LEU CB . 34503 1 719 . 1 . 1 60 60 LEU CG C 13 26.908 0.006 . . . . . . A 403 LEU CG . 34503 1 720 . 1 . 1 60 60 LEU CD1 C 13 26.141 0.029 . . . . . . A 403 LEU CD1 . 34503 1 721 . 1 . 1 60 60 LEU CD2 C 13 22.633 0.008 . . . . . . A 403 LEU CD2 . 34503 1 722 . 1 . 1 60 60 LEU N N 15 115.960 0.018 . . . . . . A 403 LEU N . 34503 1 723 . 1 . 1 61 61 SER H H 1 7.361 0.002 . . . . . . A 404 SER H . 34503 1 724 . 1 . 1 61 61 SER HA H 1 4.126 0.002 . . . . . . A 404 SER HA . 34503 1 725 . 1 . 1 61 61 SER HB2 H 1 3.523 0.020 . . . . . . A 404 SER HB2 . 34503 1 726 . 1 . 1 61 61 SER HB3 H 1 3.293 0.001 . . . . . . A 404 SER HB3 . 34503 1 727 . 1 . 1 61 61 SER CA C 13 61.414 0.020 . . . . . . A 404 SER CA . 34503 1 728 . 1 . 1 61 61 SER CB C 13 63.300 0.019 . . . . . . A 404 SER CB . 34503 1 729 . 1 . 1 61 61 SER N N 15 112.430 0.030 . . . . . . A 404 SER N . 34503 1 730 . 1 . 1 62 62 ASP H H 1 7.382 0.001 . . . . . . A 405 ASP H . 34503 1 731 . 1 . 1 62 62 ASP HA H 1 4.460 0.002 . . . . . . A 405 ASP HA . 34503 1 732 . 1 . 1 62 62 ASP HB2 H 1 2.285 0.020 . . . . . . A 405 ASP HB2 . 34503 1 733 . 1 . 1 62 62 ASP HB3 H 1 1.261 0.003 . . . . . . A 405 ASP HB3 . 34503 1 734 . 1 . 1 62 62 ASP CA C 13 52.443 0.020 . . . . . . A 405 ASP CA . 34503 1 735 . 1 . 1 62 62 ASP CB C 13 36.980 0.073 . . . . . . A 405 ASP CB . 34503 1 736 . 1 . 1 62 62 ASP N N 15 117.725 0.011 . . . . . . A 405 ASP N . 34503 1 737 . 1 . 1 63 63 GLN H H 1 8.028 0.001 . . . . . . A 406 GLN H . 34503 1 738 . 1 . 1 63 63 GLN HA H 1 3.771 0.003 . . . . . . A 406 GLN HA . 34503 1 739 . 1 . 1 63 63 GLN HB2 H 1 2.037 0.002 . . . . . . A 406 GLN HB2 . 34503 1 740 . 1 . 1 63 63 GLN HB3 H 1 1.895 0.004 . . . . . . A 406 GLN HB3 . 34503 1 741 . 1 . 1 63 63 GLN HG2 H 1 2.289 0.006 . . . . . . A 406 GLN HG2 . 34503 1 742 . 1 . 1 63 63 GLN HG3 H 1 2.218 0.002 . . . . . . A 406 GLN HG3 . 34503 1 743 . 1 . 1 63 63 GLN HE21 H 1 7.700 0.003 . . . . . . A 406 GLN HE21 . 34503 1 744 . 1 . 1 63 63 GLN HE22 H 1 6.692 0.003 . . . . . . A 406 GLN HE22 . 34503 1 745 . 1 . 1 63 63 GLN CA C 13 58.471 0.070 . . . . . . A 406 GLN CA . 34503 1 746 . 1 . 1 63 63 GLN CB C 13 29.797 0.035 . . . . . . A 406 GLN CB . 34503 1 747 . 1 . 1 63 63 GLN CG C 13 34.579 0.043 . . . . . . A 406 GLN CG . 34503 1 748 . 1 . 1 63 63 GLN N N 15 125.224 0.007 . . . . . . A 406 GLN N . 34503 1 749 . 1 . 1 63 63 GLN NE2 N 15 113.061 0.023 . . . . . . A 406 GLN NE2 . 34503 1 750 . 1 . 1 64 64 ASP H H 1 7.827 0.002 . . . . . . A 407 ASP H . 34503 1 751 . 1 . 1 64 64 ASP HA H 1 4.557 0.016 . . . . . . A 407 ASP HA . 34503 1 752 . 1 . 1 64 64 ASP HB2 H 1 3.015 0.029 . . . . . . A 407 ASP HB2 . 34503 1 753 . 1 . 1 64 64 ASP HB3 H 1 2.428 0.001 . . . . . . A 407 ASP HB3 . 34503 1 754 . 1 . 1 64 64 ASP CA C 13 52.382 0.131 . . . . . . A 407 ASP CA . 34503 1 755 . 1 . 1 64 64 ASP CB C 13 39.258 0.079 . . . . . . A 407 ASP CB . 34503 1 756 . 1 . 1 64 64 ASP N N 15 113.872 0.008 . . . . . . A 407 ASP N . 34503 1 757 . 1 . 1 65 65 ASN H H 1 7.554 0.004 . . . . . . A 408 ASN H . 34503 1 758 . 1 . 1 65 65 ASN HA H 1 4.306 0.007 . . . . . . A 408 ASN HA . 34503 1 759 . 1 . 1 65 65 ASN HB2 H 1 3.013 0.001 . . . . . . A 408 ASN HB2 . 34503 1 760 . 1 . 1 65 65 ASN HB3 H 1 2.552 0.002 . . . . . . A 408 ASN HB3 . 34503 1 761 . 1 . 1 65 65 ASN HD21 H 1 7.387 0.002 . . . . . . A 408 ASN HD21 . 34503 1 762 . 1 . 1 65 65 ASN HD22 H 1 6.647 0.002 . . . . . . A 408 ASN HD22 . 34503 1 763 . 1 . 1 65 65 ASN CA C 13 54.860 0.085 . . . . . . A 408 ASN CA . 34503 1 764 . 1 . 1 65 65 ASN CB C 13 37.898 0.020 . . . . . . A 408 ASN CB . 34503 1 765 . 1 . 1 65 65 ASN N N 15 114.490 0.021 . . . . . . A 408 ASN N . 34503 1 766 . 1 . 1 65 65 ASN ND2 N 15 111.742 0.038 . . . . . . A 408 ASN ND2 . 34503 1 767 . 1 . 1 66 66 ASP H H 1 8.310 0.002 . . . . . . A 409 ASP H . 34503 1 768 . 1 . 1 66 66 ASP HA H 1 4.781 0.002 . . . . . . A 409 ASP HA . 34503 1 769 . 1 . 1 66 66 ASP HB2 H 1 2.974 0.020 . . . . . . A 409 ASP HB2 . 34503 1 770 . 1 . 1 66 66 ASP HB3 H 1 2.340 0.001 . . . . . . A 409 ASP HB3 . 34503 1 771 . 1 . 1 66 66 ASP CA C 13 53.235 0.016 . . . . . . A 409 ASP CA . 34503 1 772 . 1 . 1 66 66 ASP CB C 13 40.659 0.012 . . . . . . A 409 ASP CB . 34503 1 773 . 1 . 1 66 66 ASP N N 15 117.582 0.009 . . . . . . A 409 ASP N . 34503 1 774 . 1 . 1 67 67 THR H H 1 10.088 0.001 . . . . . . A 410 THR H . 34503 1 775 . 1 . 1 67 67 THR HA H 1 4.148 0.003 . . . . . . A 410 THR HA . 34503 1 776 . 1 . 1 67 67 THR HB H 1 4.606 0.002 . . . . . . A 410 THR HB . 34503 1 777 . 1 . 1 67 67 THR HG21 H 1 1.196 0.003 . . . . . . A 410 THR HG21 . 34503 1 778 . 1 . 1 67 67 THR HG22 H 1 1.196 0.003 . . . . . . A 410 THR HG22 . 34503 1 779 . 1 . 1 67 67 THR HG23 H 1 1.196 0.003 . . . . . . A 410 THR HG23 . 34503 1 780 . 1 . 1 67 67 THR CA C 13 65.448 0.022 . . . . . . A 410 THR CA . 34503 1 781 . 1 . 1 67 67 THR CB C 13 69.376 0.017 . . . . . . A 410 THR CB . 34503 1 782 . 1 . 1 67 67 THR CG2 C 13 22.029 0.200 . . . . . . A 410 THR CG2 . 34503 1 783 . 1 . 1 67 67 THR N N 15 117.479 0.005 . . . . . . A 410 THR N . 34503 1 784 . 1 . 1 68 68 MET H H 1 8.268 0.001 . . . . . . A 411 MET H . 34503 1 785 . 1 . 1 68 68 MET HA H 1 5.086 0.003 . . . . . . A 411 MET HA . 34503 1 786 . 1 . 1 68 68 MET HB2 H 1 1.938 0.004 . . . . . . A 411 MET HB2 . 34503 1 787 . 1 . 1 68 68 MET HB3 H 1 1.874 0.003 . . . . . . A 411 MET HB3 . 34503 1 788 . 1 . 1 68 68 MET HG2 H 1 2.383 0.002 . . . . . . A 411 MET HG2 . 34503 1 789 . 1 . 1 68 68 MET HG3 H 1 2.383 0.002 . . . . . . A 411 MET HG3 . 34503 1 790 . 1 . 1 68 68 MET HE1 H 1 1.920 0.002 . . . . . . A 411 MET HE1 . 34503 1 791 . 1 . 1 68 68 MET HE2 H 1 1.920 0.002 . . . . . . A 411 MET HE2 . 34503 1 792 . 1 . 1 68 68 MET HE3 H 1 1.920 0.002 . . . . . . A 411 MET HE3 . 34503 1 793 . 1 . 1 68 68 MET CA C 13 53.568 0.016 . . . . . . A 411 MET CA . 34503 1 794 . 1 . 1 68 68 MET CB C 13 36.343 0.042 . . . . . . A 411 MET CB . 34503 1 795 . 1 . 1 68 68 MET CG C 13 33.052 0.021 . . . . . . A 411 MET CG . 34503 1 796 . 1 . 1 68 68 MET CE C 13 18.165 0.021 . . . . . . A 411 MET CE . 34503 1 797 . 1 . 1 68 68 MET N N 15 119.398 0.011 . . . . . . A 411 MET N . 34503 1 798 . 1 . 1 69 69 LEU H H 1 9.018 0.004 . . . . . . A 412 LEU H . 34503 1 799 . 1 . 1 69 69 LEU HA H 1 5.800 0.002 . . . . . . A 412 LEU HA . 34503 1 800 . 1 . 1 69 69 LEU HB2 H 1 1.853 0.004 . . . . . . A 412 LEU HB2 . 34503 1 801 . 1 . 1 69 69 LEU HB3 H 1 1.547 0.004 . . . . . . A 412 LEU HB3 . 34503 1 802 . 1 . 1 69 69 LEU HG H 1 1.553 0.018 . . . . . . A 412 LEU HG . 34503 1 803 . 1 . 1 69 69 LEU HD11 H 1 0.973 0.004 . . . . . . A 412 LEU HD11 . 34503 1 804 . 1 . 1 69 69 LEU HD12 H 1 0.973 0.004 . . . . . . A 412 LEU HD12 . 34503 1 805 . 1 . 1 69 69 LEU HD13 H 1 0.973 0.004 . . . . . . A 412 LEU HD13 . 34503 1 806 . 1 . 1 69 69 LEU HD21 H 1 0.142 0.003 . . . . . . A 412 LEU HD21 . 34503 1 807 . 1 . 1 69 69 LEU HD22 H 1 0.142 0.003 . . . . . . A 412 LEU HD22 . 34503 1 808 . 1 . 1 69 69 LEU HD23 H 1 0.142 0.003 . . . . . . A 412 LEU HD23 . 34503 1 809 . 1 . 1 69 69 LEU CA C 13 53.173 0.040 . . . . . . A 412 LEU CA . 34503 1 810 . 1 . 1 69 69 LEU CB C 13 43.390 0.047 . . . . . . A 412 LEU CB . 34503 1 811 . 1 . 1 69 69 LEU CG C 13 26.690 0.010 . . . . . . A 412 LEU CG . 34503 1 812 . 1 . 1 69 69 LEU CD1 C 13 27.397 0.052 . . . . . . A 412 LEU CD1 . 34503 1 813 . 1 . 1 69 69 LEU CD2 C 13 22.453 0.014 . . . . . . A 412 LEU CD2 . 34503 1 814 . 1 . 1 69 69 LEU N N 15 120.421 0.013 . . . . . . A 412 LEU N . 34503 1 815 . 1 . 1 70 70 SER H H 1 8.898 0.002 . . . . . . A 413 SER H . 34503 1 816 . 1 . 1 70 70 SER HA H 1 5.170 0.007 . . . . . . A 413 SER HA . 34503 1 817 . 1 . 1 70 70 SER HB2 H 1 4.305 0.007 . . . . . . A 413 SER HB2 . 34503 1 818 . 1 . 1 70 70 SER HB3 H 1 3.918 0.005 . . . . . . A 413 SER HB3 . 34503 1 819 . 1 . 1 70 70 SER CA C 13 56.351 0.021 . . . . . . A 413 SER CA . 34503 1 820 . 1 . 1 70 70 SER CB C 13 65.113 0.019 . . . . . . A 413 SER CB . 34503 1 821 . 1 . 1 70 70 SER N N 15 119.413 0.025 . . . . . . A 413 SER N . 34503 1 822 . 1 . 1 71 71 LEU H H 1 8.127 0.001 . . . . . . A 414 LEU H . 34503 1 823 . 1 . 1 71 71 LEU HA H 1 2.841 0.003 . . . . . . A 414 LEU HA . 34503 1 824 . 1 . 1 71 71 LEU HB2 H 1 1.435 0.003 . . . . . . A 414 LEU HB2 . 34503 1 825 . 1 . 1 71 71 LEU HB3 H 1 0.645 0.004 . . . . . . A 414 LEU HB3 . 34503 1 826 . 1 . 1 71 71 LEU HG H 1 1.134 0.004 . . . . . . A 414 LEU HG . 34503 1 827 . 1 . 1 71 71 LEU HD11 H 1 0.565 0.004 . . . . . . A 414 LEU HD11 . 34503 1 828 . 1 . 1 71 71 LEU HD12 H 1 0.565 0.004 . . . . . . A 414 LEU HD12 . 34503 1 829 . 1 . 1 71 71 LEU HD13 H 1 0.565 0.004 . . . . . . A 414 LEU HD13 . 34503 1 830 . 1 . 1 71 71 LEU HD21 H 1 0.747 0.005 . . . . . . A 414 LEU HD21 . 34503 1 831 . 1 . 1 71 71 LEU HD22 H 1 0.747 0.005 . . . . . . A 414 LEU HD22 . 34503 1 832 . 1 . 1 71 71 LEU HD23 H 1 0.747 0.005 . . . . . . A 414 LEU HD23 . 34503 1 833 . 1 . 1 71 71 LEU CA C 13 58.961 0.011 . . . . . . A 414 LEU CA . 34503 1 834 . 1 . 1 71 71 LEU CB C 13 40.545 0.021 . . . . . . A 414 LEU CB . 34503 1 835 . 1 . 1 71 71 LEU CG C 13 27.439 0.010 . . . . . . A 414 LEU CG . 34503 1 836 . 1 . 1 71 71 LEU CD1 C 13 23.305 0.025 . . . . . . A 414 LEU CD1 . 34503 1 837 . 1 . 1 71 71 LEU CD2 C 13 25.886 0.012 . . . . . . A 414 LEU CD2 . 34503 1 838 . 1 . 1 71 71 LEU N N 15 121.954 0.009 . . . . . . A 414 LEU N . 34503 1 839 . 1 . 1 72 72 ARG H H 1 8.383 0.002 . . . . . . A 415 ARG H . 34503 1 840 . 1 . 1 72 72 ARG HA H 1 3.730 0.020 . . . . . . A 415 ARG HA . 34503 1 841 . 1 . 1 72 72 ARG HB2 H 1 1.740 0.020 . . . . . . A 415 ARG HB2 . 34503 1 842 . 1 . 1 72 72 ARG HB3 H 1 1.550 0.020 . . . . . . A 415 ARG HB3 . 34503 1 843 . 1 . 1 72 72 ARG HG2 H 1 1.422 0.020 . . . . . . A 415 ARG HG2 . 34503 1 844 . 1 . 1 72 72 ARG HG3 H 1 1.342 0.020 . . . . . . A 415 ARG HG3 . 34503 1 845 . 1 . 1 72 72 ARG HD2 H 1 3.064 0.011 . . . . . . A 415 ARG HD2 . 34503 1 846 . 1 . 1 72 72 ARG HD3 H 1 3.020 0.006 . . . . . . A 415 ARG HD3 . 34503 1 847 . 1 . 1 72 72 ARG HE H 1 7.324 0.007 . . . . . . A 415 ARG HE . 34503 1 848 . 1 . 1 72 72 ARG CA C 13 60.178 0.200 . . . . . . A 415 ARG CA . 34503 1 849 . 1 . 1 72 72 ARG CB C 13 30.157 0.048 . . . . . . A 415 ARG CB . 34503 1 850 . 1 . 1 72 72 ARG CG C 13 27.465 0.009 . . . . . . A 415 ARG CG . 34503 1 851 . 1 . 1 72 72 ARG CD C 13 43.181 0.079 . . . . . . A 415 ARG CD . 34503 1 852 . 1 . 1 72 72 ARG N N 15 118.513 0.025 . . . . . . A 415 ARG N . 34503 1 853 . 1 . 1 72 72 ARG NE N 15 84.184 0.018 . . . . . . A 415 ARG NE . 34503 1 854 . 1 . 1 73 73 GLU H H 1 7.022 0.005 . . . . . . A 416 GLU H . 34503 1 855 . 1 . 1 73 73 GLU HA H 1 3.808 0.020 . . . . . . A 416 GLU HA . 34503 1 856 . 1 . 1 73 73 GLU HB2 H 1 2.160 0.020 . . . . . . A 416 GLU HB2 . 34503 1 857 . 1 . 1 73 73 GLU HB3 H 1 2.160 0.020 . . . . . . A 416 GLU HB3 . 34503 1 858 . 1 . 1 73 73 GLU HG2 H 1 2.388 0.020 . . . . . . A 416 GLU HG2 . 34503 1 859 . 1 . 1 73 73 GLU HG3 H 1 2.388 0.020 . . . . . . A 416 GLU HG3 . 34503 1 860 . 1 . 1 73 73 GLU CA C 13 58.855 0.200 . . . . . . A 416 GLU CA . 34503 1 861 . 1 . 1 73 73 GLU CB C 13 31.292 0.200 . . . . . . A 416 GLU CB . 34503 1 862 . 1 . 1 73 73 GLU CG C 13 37.258 0.200 . . . . . . A 416 GLU CG . 34503 1 863 . 1 . 1 73 73 GLU N N 15 116.635 0.009 . . . . . . A 416 GLU N . 34503 1 864 . 1 . 1 74 74 PHE H H 1 9.067 0.005 . . . . . . A 417 PHE H . 34503 1 865 . 1 . 1 74 74 PHE HA H 1 4.295 0.013 . . . . . . A 417 PHE HA . 34503 1 866 . 1 . 1 74 74 PHE HB2 H 1 3.279 0.016 . . . . . . A 417 PHE HB2 . 34503 1 867 . 1 . 1 74 74 PHE HB3 H 1 3.138 0.011 . . . . . . A 417 PHE HB3 . 34503 1 868 . 1 . 1 74 74 PHE HD1 H 1 7.168 0.006 . . . . . . A 417 PHE HD1 . 34503 1 869 . 1 . 1 74 74 PHE HD2 H 1 7.168 0.006 . . . . . . A 417 PHE HD2 . 34503 1 870 . 1 . 1 74 74 PHE HE1 H 1 7.418 0.002 . . . . . . A 417 PHE HE1 . 34503 1 871 . 1 . 1 74 74 PHE HE2 H 1 7.418 0.002 . . . . . . A 417 PHE HE2 . 34503 1 872 . 1 . 1 74 74 PHE HZ H 1 7.215 0.020 . . . . . . A 417 PHE HZ . 34503 1 873 . 1 . 1 74 74 PHE CA C 13 61.094 0.038 . . . . . . A 417 PHE CA . 34503 1 874 . 1 . 1 74 74 PHE CB C 13 40.544 0.025 . . . . . . A 417 PHE CB . 34503 1 875 . 1 . 1 74 74 PHE CD1 C 13 132.194 0.066 . . . . . . A 417 PHE CD1 . 34503 1 876 . 1 . 1 74 74 PHE CD2 C 13 132.194 0.066 . . . . . . A 417 PHE CD2 . 34503 1 877 . 1 . 1 74 74 PHE CE1 C 13 131.714 0.095 . . . . . . A 417 PHE CE1 . 34503 1 878 . 1 . 1 74 74 PHE CE2 C 13 131.714 0.095 . . . . . . A 417 PHE CE2 . 34503 1 879 . 1 . 1 74 74 PHE CZ C 13 129.480 0.200 . . . . . . A 417 PHE CZ . 34503 1 880 . 1 . 1 74 74 PHE N N 15 119.946 0.011 . . . . . . A 417 PHE N . 34503 1 881 . 1 . 1 75 75 CYS H H 1 8.422 0.002 . . . . . . A 418 CYS H . 34503 1 882 . 1 . 1 75 75 CYS HA H 1 3.863 0.020 . . . . . . A 418 CYS HA . 34503 1 883 . 1 . 1 75 75 CYS HB2 H 1 3.391 0.020 . . . . . . A 418 CYS HB2 . 34503 1 884 . 1 . 1 75 75 CYS HB3 H 1 2.627 0.020 . . . . . . A 418 CYS HB3 . 34503 1 885 . 1 . 1 75 75 CYS CA C 13 64.453 0.200 . . . . . . A 418 CYS CA . 34503 1 886 . 1 . 1 75 75 CYS CB C 13 26.756 0.003 . . . . . . A 418 CYS CB . 34503 1 887 . 1 . 1 75 75 CYS N N 15 116.814 0.011 . . . . . . A 418 CYS N . 34503 1 888 . 1 . 1 76 76 ILE H H 1 7.430 0.003 . . . . . . A 419 ILE H . 34503 1 889 . 1 . 1 76 76 ILE HA H 1 3.256 0.020 . . . . . . A 419 ILE HA . 34503 1 890 . 1 . 1 76 76 ILE HB H 1 2.154 0.020 . . . . . . A 419 ILE HB . 34503 1 891 . 1 . 1 76 76 ILE HG12 H 1 1.724 0.020 . . . . . . A 419 ILE HG12 . 34503 1 892 . 1 . 1 76 76 ILE HG13 H 1 0.573 0.020 . . . . . . A 419 ILE HG13 . 34503 1 893 . 1 . 1 76 76 ILE HG21 H 1 0.657 0.020 . . . . . . A 419 ILE HG21 . 34503 1 894 . 1 . 1 76 76 ILE HG22 H 1 0.657 0.020 . . . . . . A 419 ILE HG22 . 34503 1 895 . 1 . 1 76 76 ILE HG23 H 1 0.657 0.020 . . . . . . A 419 ILE HG23 . 34503 1 896 . 1 . 1 76 76 ILE HD11 H 1 0.668 0.020 . . . . . . A 419 ILE HD11 . 34503 1 897 . 1 . 1 76 76 ILE HD12 H 1 0.668 0.020 . . . . . . A 419 ILE HD12 . 34503 1 898 . 1 . 1 76 76 ILE HD13 H 1 0.668 0.020 . . . . . . A 419 ILE HD13 . 34503 1 899 . 1 . 1 76 76 ILE CA C 13 66.212 0.200 . . . . . . A 419 ILE CA . 34503 1 900 . 1 . 1 76 76 ILE CB C 13 37.177 0.200 . . . . . . A 419 ILE CB . 34503 1 901 . 1 . 1 76 76 ILE CG1 C 13 29.489 0.013 . . . . . . A 419 ILE CG1 . 34503 1 902 . 1 . 1 76 76 ILE CG2 C 13 17.469 0.200 . . . . . . A 419 ILE CG2 . 34503 1 903 . 1 . 1 76 76 ILE CD1 C 13 13.168 0.200 . . . . . . A 419 ILE CD1 . 34503 1 904 . 1 . 1 76 76 ILE N N 15 119.203 0.009 . . . . . . A 419 ILE N . 34503 1 905 . 1 . 1 77 77 SER H H 1 8.133 0.002 . . . . . . A 420 SER H . 34503 1 906 . 1 . 1 77 77 SER HA H 1 3.671 0.020 . . . . . . A 420 SER HA . 34503 1 907 . 1 . 1 77 77 SER HB2 H 1 3.542 0.020 . . . . . . A 420 SER HB2 . 34503 1 908 . 1 . 1 77 77 SER HB3 H 1 3.497 0.020 . . . . . . A 420 SER HB3 . 34503 1 909 . 1 . 1 77 77 SER CA C 13 62.750 0.200 . . . . . . A 420 SER CA . 34503 1 910 . 1 . 1 77 77 SER CB C 13 63.192 0.031 . . . . . . A 420 SER CB . 34503 1 911 . 1 . 1 77 77 SER N N 15 117.290 0.011 . . . . . . A 420 SER N . 34503 1 912 . 1 . 1 78 78 LEU H H 1 7.305 0.004 . . . . . . A 421 LEU H . 34503 1 913 . 1 . 1 78 78 LEU HA H 1 3.382 0.002 . . . . . . A 421 LEU HA . 34503 1 914 . 1 . 1 78 78 LEU HB2 H 1 0.522 0.002 . . . . . . A 421 LEU HB2 . 34503 1 915 . 1 . 1 78 78 LEU HB3 H 1 0.365 0.001 . . . . . . A 421 LEU HB3 . 34503 1 916 . 1 . 1 78 78 LEU HG H 1 0.835 0.007 . . . . . . A 421 LEU HG . 34503 1 917 . 1 . 1 78 78 LEU HD11 H 1 0.232 0.002 . . . . . . A 421 LEU HD11 . 34503 1 918 . 1 . 1 78 78 LEU HD12 H 1 0.232 0.002 . . . . . . A 421 LEU HD12 . 34503 1 919 . 1 . 1 78 78 LEU HD13 H 1 0.232 0.002 . . . . . . A 421 LEU HD13 . 34503 1 920 . 1 . 1 78 78 LEU HD21 H 1 0.368 0.004 . . . . . . A 421 LEU HD21 . 34503 1 921 . 1 . 1 78 78 LEU HD22 H 1 0.368 0.004 . . . . . . A 421 LEU HD22 . 34503 1 922 . 1 . 1 78 78 LEU HD23 H 1 0.368 0.004 . . . . . . A 421 LEU HD23 . 34503 1 923 . 1 . 1 78 78 LEU CA C 13 58.094 0.021 . . . . . . A 421 LEU CA . 34503 1 924 . 1 . 1 78 78 LEU CB C 13 39.114 0.062 . . . . . . A 421 LEU CB . 34503 1 925 . 1 . 1 78 78 LEU CG C 13 28.512 0.006 . . . . . . A 421 LEU CG . 34503 1 926 . 1 . 1 78 78 LEU CD1 C 13 25.416 0.006 . . . . . . A 421 LEU CD1 . 34503 1 927 . 1 . 1 78 78 LEU CD2 C 13 23.860 0.021 . . . . . . A 421 LEU CD2 . 34503 1 928 . 1 . 1 78 78 LEU N N 15 121.973 0.010 . . . . . . A 421 LEU N . 34503 1 929 . 1 . 1 79 79 TYR H H 1 7.853 0.004 . . . . . . A 422 TYR H . 34503 1 930 . 1 . 1 79 79 TYR HA H 1 4.117 0.020 . . . . . . A 422 TYR HA . 34503 1 931 . 1 . 1 79 79 TYR HB2 H 1 3.316 0.020 . . . . . . A 422 TYR HB2 . 34503 1 932 . 1 . 1 79 79 TYR HB3 H 1 3.140 0.020 . . . . . . A 422 TYR HB3 . 34503 1 933 . 1 . 1 79 79 TYR HD1 H 1 7.069 0.020 . . . . . . A 422 TYR HD1 . 34503 1 934 . 1 . 1 79 79 TYR HD2 H 1 7.069 0.020 . . . . . . A 422 TYR HD2 . 34503 1 935 . 1 . 1 79 79 TYR HE1 H 1 6.739 0.004 . . . . . . A 422 TYR HE1 . 34503 1 936 . 1 . 1 79 79 TYR HE2 H 1 6.739 0.004 . . . . . . A 422 TYR HE2 . 34503 1 937 . 1 . 1 79 79 TYR CA C 13 61.725 0.200 . . . . . . A 422 TYR CA . 34503 1 938 . 1 . 1 79 79 TYR CB C 13 38.430 0.200 . . . . . . A 422 TYR CB . 34503 1 939 . 1 . 1 79 79 TYR CD1 C 13 133.383 0.200 . . . . . . A 422 TYR CD1 . 34503 1 940 . 1 . 1 79 79 TYR CD2 C 13 133.383 0.200 . . . . . . A 422 TYR CD2 . 34503 1 941 . 1 . 1 79 79 TYR CE1 C 13 118.585 0.200 . . . . . . A 422 TYR CE1 . 34503 1 942 . 1 . 1 79 79 TYR CE2 C 13 118.585 0.200 . . . . . . A 422 TYR CE2 . 34503 1 943 . 1 . 1 79 79 TYR N N 15 121.700 0.021 . . . . . . A 422 TYR N . 34503 1 944 . 1 . 1 80 80 LEU H H 1 8.602 0.002 . . . . . . A 423 LEU H . 34503 1 945 . 1 . 1 80 80 LEU HA H 1 3.703 0.020 . . . . . . A 423 LEU HA . 34503 1 946 . 1 . 1 80 80 LEU HB2 H 1 1.995 0.020 . . . . . . A 423 LEU HB2 . 34503 1 947 . 1 . 1 80 80 LEU HB3 H 1 1.011 0.020 . . . . . . A 423 LEU HB3 . 34503 1 948 . 1 . 1 80 80 LEU HG H 1 2.008 0.020 . . . . . . A 423 LEU HG . 34503 1 949 . 1 . 1 80 80 LEU HD11 H 1 0.644 0.020 . . . . . . A 423 LEU HD11 . 34503 1 950 . 1 . 1 80 80 LEU HD12 H 1 0.644 0.020 . . . . . . A 423 LEU HD12 . 34503 1 951 . 1 . 1 80 80 LEU HD13 H 1 0.644 0.020 . . . . . . A 423 LEU HD13 . 34503 1 952 . 1 . 1 80 80 LEU HD21 H 1 0.649 0.020 . . . . . . A 423 LEU HD21 . 34503 1 953 . 1 . 1 80 80 LEU HD22 H 1 0.649 0.020 . . . . . . A 423 LEU HD22 . 34503 1 954 . 1 . 1 80 80 LEU HD23 H 1 0.649 0.020 . . . . . . A 423 LEU HD23 . 34503 1 955 . 1 . 1 80 80 LEU CA C 13 57.897 0.200 . . . . . . A 423 LEU CA . 34503 1 956 . 1 . 1 80 80 LEU CB C 13 42.056 0.034 . . . . . . A 423 LEU CB . 34503 1 957 . 1 . 1 80 80 LEU CG C 13 26.648 0.200 . . . . . . A 423 LEU CG . 34503 1 958 . 1 . 1 80 80 LEU CD1 C 13 28.400 0.200 . . . . . . A 423 LEU CD1 . 34503 1 959 . 1 . 1 80 80 LEU CD2 C 13 21.823 0.200 . . . . . . A 423 LEU CD2 . 34503 1 960 . 1 . 1 80 80 LEU N N 15 119.319 0.011 . . . . . . A 423 LEU N . 34503 1 961 . 1 . 1 81 81 MET H H 1 8.003 0.003 . . . . . . A 424 MET H . 34503 1 962 . 1 . 1 81 81 MET HA H 1 3.644 0.020 . . . . . . A 424 MET HA . 34503 1 963 . 1 . 1 81 81 MET HB2 H 1 1.646 0.020 . . . . . . A 424 MET HB2 . 34503 1 964 . 1 . 1 81 81 MET HB3 H 1 1.646 0.020 . . . . . . A 424 MET HB3 . 34503 1 965 . 1 . 1 81 81 MET HG2 H 1 2.215 0.020 . . . . . . A 424 MET HG2 . 34503 1 966 . 1 . 1 81 81 MET HG3 H 1 1.786 0.020 . . . . . . A 424 MET HG3 . 34503 1 967 . 1 . 1 81 81 MET HE1 H 1 0.841 0.020 . . . . . . A 424 MET HE1 . 34503 1 968 . 1 . 1 81 81 MET HE2 H 1 0.841 0.020 . . . . . . A 424 MET HE2 . 34503 1 969 . 1 . 1 81 81 MET HE3 H 1 0.841 0.020 . . . . . . A 424 MET HE3 . 34503 1 970 . 1 . 1 81 81 MET CA C 13 60.173 0.200 . . . . . . A 424 MET CA . 34503 1 971 . 1 . 1 81 81 MET CB C 13 32.461 0.200 . . . . . . A 424 MET CB . 34503 1 972 . 1 . 1 81 81 MET CG C 13 32.665 0.200 . . . . . . A 424 MET CG . 34503 1 973 . 1 . 1 81 81 MET CE C 13 16.170 0.200 . . . . . . A 424 MET CE . 34503 1 974 . 1 . 1 81 81 MET N N 15 118.458 0.015 . . . . . . A 424 MET N . 34503 1 975 . 1 . 1 82 82 GLU H H 1 8.250 0.002 . . . . . . A 425 GLU H . 34503 1 976 . 1 . 1 82 82 GLU HA H 1 3.934 0.020 . . . . . . A 425 GLU HA . 34503 1 977 . 1 . 1 82 82 GLU HB2 H 1 2.126 0.020 . . . . . . A 425 GLU HB2 . 34503 1 978 . 1 . 1 82 82 GLU HB3 H 1 1.848 0.020 . . . . . . A 425 GLU HB3 . 34503 1 979 . 1 . 1 82 82 GLU HG2 H 1 2.598 0.020 . . . . . . A 425 GLU HG2 . 34503 1 980 . 1 . 1 82 82 GLU HG3 H 1 2.142 0.020 . . . . . . A 425 GLU HG3 . 34503 1 981 . 1 . 1 82 82 GLU CA C 13 60.579 0.200 . . . . . . A 425 GLU CA . 34503 1 982 . 1 . 1 82 82 GLU CB C 13 28.819 0.028 . . . . . . A 425 GLU CB . 34503 1 983 . 1 . 1 82 82 GLU CG C 13 37.820 0.011 . . . . . . A 425 GLU CG . 34503 1 984 . 1 . 1 82 82 GLU N N 15 119.819 0.004 . . . . . . A 425 GLU N . 34503 1 985 . 1 . 1 83 83 ARG H H 1 7.915 0.004 . . . . . . A 426 ARG H . 34503 1 986 . 1 . 1 83 83 ARG HA H 1 4.058 0.020 . . . . . . A 426 ARG HA . 34503 1 987 . 1 . 1 83 83 ARG HB2 H 1 2.030 0.020 . . . . . . A 426 ARG HB2 . 34503 1 988 . 1 . 1 83 83 ARG HB3 H 1 1.539 0.020 . . . . . . A 426 ARG HB3 . 34503 1 989 . 1 . 1 83 83 ARG HG2 H 1 1.669 0.020 . . . . . . A 426 ARG HG2 . 34503 1 990 . 1 . 1 83 83 ARG HG3 H 1 1.098 0.020 . . . . . . A 426 ARG HG3 . 34503 1 991 . 1 . 1 83 83 ARG HD2 H 1 2.800 0.009 . . . . . . A 426 ARG HD2 . 34503 1 992 . 1 . 1 83 83 ARG HD3 H 1 2.554 0.005 . . . . . . A 426 ARG HD3 . 34503 1 993 . 1 . 1 83 83 ARG HE H 1 7.978 0.002 . . . . . . A 426 ARG HE . 34503 1 994 . 1 . 1 83 83 ARG CA C 13 58.364 0.200 . . . . . . A 426 ARG CA . 34503 1 995 . 1 . 1 83 83 ARG CB C 13 31.546 0.012 . . . . . . A 426 ARG CB . 34503 1 996 . 1 . 1 83 83 ARG CG C 13 25.950 0.095 . . . . . . A 426 ARG CG . 34503 1 997 . 1 . 1 83 83 ARG CD C 13 43.386 0.044 . . . . . . A 426 ARG CD . 34503 1 998 . 1 . 1 83 83 ARG N N 15 117.973 0.043 . . . . . . A 426 ARG N . 34503 1 999 . 1 . 1 83 83 ARG NE N 15 83.095 0.009 . . . . . . A 426 ARG NE . 34503 1 1000 . 1 . 1 84 84 TYR H H 1 8.488 0.018 . . . . . . A 427 TYR H . 34503 1 1001 . 1 . 1 84 84 TYR HA H 1 4.528 0.020 . . . . . . A 427 TYR HA . 34503 1 1002 . 1 . 1 84 84 TYR HB2 H 1 3.112 0.019 . . . . . . A 427 TYR HB2 . 34503 1 1003 . 1 . 1 84 84 TYR HB3 H 1 2.932 0.013 . . . . . . A 427 TYR HB3 . 34503 1 1004 . 1 . 1 84 84 TYR HD1 H 1 6.972 0.008 . . . . . . A 427 TYR HD1 . 34503 1 1005 . 1 . 1 84 84 TYR HD2 H 1 6.972 0.008 . . . . . . A 427 TYR HD2 . 34503 1 1006 . 1 . 1 84 84 TYR HE1 H 1 6.766 0.006 . . . . . . A 427 TYR HE1 . 34503 1 1007 . 1 . 1 84 84 TYR HE2 H 1 6.766 0.006 . . . . . . A 427 TYR HE2 . 34503 1 1008 . 1 . 1 84 84 TYR CA C 13 61.064 0.015 . . . . . . A 427 TYR CA . 34503 1 1009 . 1 . 1 84 84 TYR CB C 13 37.956 0.026 . . . . . . A 427 TYR CB . 34503 1 1010 . 1 . 1 84 84 TYR CD1 C 13 133.106 0.033 . . . . . . A 427 TYR CD1 . 34503 1 1011 . 1 . 1 84 84 TYR CD2 C 13 133.106 0.033 . . . . . . A 427 TYR CD2 . 34503 1 1012 . 1 . 1 84 84 TYR CE1 C 13 118.279 0.101 . . . . . . A 427 TYR CE1 . 34503 1 1013 . 1 . 1 84 84 TYR CE2 C 13 118.279 0.101 . . . . . . A 427 TYR CE2 . 34503 1 1014 . 1 . 1 84 84 TYR N N 15 121.081 0.009 . . . . . . A 427 TYR N . 34503 1 1015 . 1 . 1 85 85 ARG H H 1 8.443 0.003 . . . . . . A 428 ARG H . 34503 1 1016 . 1 . 1 85 85 ARG HA H 1 3.804 0.020 . . . . . . A 428 ARG HA . 34503 1 1017 . 1 . 1 85 85 ARG HB2 H 1 1.994 0.020 . . . . . . A 428 ARG HB2 . 34503 1 1018 . 1 . 1 85 85 ARG HB3 H 1 1.941 0.020 . . . . . . A 428 ARG HB3 . 34503 1 1019 . 1 . 1 85 85 ARG HG2 H 1 1.987 0.020 . . . . . . A 428 ARG HG2 . 34503 1 1020 . 1 . 1 85 85 ARG HG3 H 1 1.729 0.020 . . . . . . A 428 ARG HG3 . 34503 1 1021 . 1 . 1 85 85 ARG HD2 H 1 3.161 0.006 . . . . . . A 428 ARG HD2 . 34503 1 1022 . 1 . 1 85 85 ARG HD3 H 1 3.161 0.006 . . . . . . A 428 ARG HD3 . 34503 1 1023 . 1 . 1 85 85 ARG HE H 1 7.335 0.020 . . . . . . A 428 ARG HE . 34503 1 1024 . 1 . 1 85 85 ARG CA C 13 59.131 0.200 . . . . . . A 428 ARG CA . 34503 1 1025 . 1 . 1 85 85 ARG CB C 13 30.142 0.018 . . . . . . A 428 ARG CB . 34503 1 1026 . 1 . 1 85 85 ARG CG C 13 27.880 0.036 . . . . . . A 428 ARG CG . 34503 1 1027 . 1 . 1 85 85 ARG CD C 13 43.852 0.019 . . . . . . A 428 ARG CD . 34503 1 1028 . 1 . 1 85 85 ARG N N 15 121.616 0.012 . . . . . . A 428 ARG N . 34503 1 1029 . 1 . 1 85 85 ARG NE N 15 84.242 0.200 . . . . . . A 428 ARG NE . 34503 1 1030 . 1 . 1 86 86 GLU H H 1 7.302 0.004 . . . . . . A 429 GLU H . 34503 1 1031 . 1 . 1 86 86 GLU HA H 1 4.103 0.002 . . . . . . A 429 GLU HA . 34503 1 1032 . 1 . 1 86 86 GLU HB2 H 1 2.303 0.006 . . . . . . A 429 GLU HB2 . 34503 1 1033 . 1 . 1 86 86 GLU HB3 H 1 1.985 0.002 . . . . . . A 429 GLU HB3 . 34503 1 1034 . 1 . 1 86 86 GLU HG2 H 1 2.424 0.020 . . . . . . A 429 GLU HG2 . 34503 1 1035 . 1 . 1 86 86 GLU HG3 H 1 2.336 0.020 . . . . . . A 429 GLU HG3 . 34503 1 1036 . 1 . 1 86 86 GLU CA C 13 56.422 0.015 . . . . . . A 429 GLU CA . 34503 1 1037 . 1 . 1 86 86 GLU CB C 13 29.505 0.039 . . . . . . A 429 GLU CB . 34503 1 1038 . 1 . 1 86 86 GLU CG C 13 35.905 0.137 . . . . . . A 429 GLU CG . 34503 1 1039 . 1 . 1 86 86 GLU N N 15 117.091 0.029 . . . . . . A 429 GLU N . 34503 1 1040 . 1 . 1 87 87 GLY H H 1 7.755 0.003 . . . . . . A 430 GLY H . 34503 1 1041 . 1 . 1 87 87 GLY HA2 H 1 4.132 0.004 . . . . . . A 430 GLY HA2 . 34503 1 1042 . 1 . 1 87 87 GLY HA3 H 1 3.461 0.002 . . . . . . A 430 GLY HA3 . 34503 1 1043 . 1 . 1 87 87 GLY CA C 13 44.849 0.028 . . . . . . A 430 GLY CA . 34503 1 1044 . 1 . 1 87 87 GLY N N 15 107.306 0.018 . . . . . . A 430 GLY N . 34503 1 1045 . 1 . 1 88 88 ARG H H 1 7.619 0.003 . . . . . . A 431 ARG H . 34503 1 1046 . 1 . 1 88 88 ARG HA H 1 4.542 0.020 . . . . . . A 431 ARG HA . 34503 1 1047 . 1 . 1 88 88 ARG HB2 H 1 1.551 0.020 . . . . . . A 431 ARG HB2 . 34503 1 1048 . 1 . 1 88 88 ARG HB3 H 1 1.359 0.020 . . . . . . A 431 ARG HB3 . 34503 1 1049 . 1 . 1 88 88 ARG HG2 H 1 1.428 0.020 . . . . . . A 431 ARG HG2 . 34503 1 1050 . 1 . 1 88 88 ARG HG3 H 1 1.297 0.020 . . . . . . A 431 ARG HG3 . 34503 1 1051 . 1 . 1 88 88 ARG HD2 H 1 2.559 0.020 . . . . . . A 431 ARG HD2 . 34503 1 1052 . 1 . 1 88 88 ARG HD3 H 1 2.330 0.020 . . . . . . A 431 ARG HD3 . 34503 1 1053 . 1 . 1 88 88 ARG HE H 1 6.593 0.002 . . . . . . A 431 ARG HE . 34503 1 1054 . 1 . 1 88 88 ARG CA C 13 53.354 0.200 . . . . . . A 431 ARG CA . 34503 1 1055 . 1 . 1 88 88 ARG CB C 13 30.477 0.041 . . . . . . A 431 ARG CB . 34503 1 1056 . 1 . 1 88 88 ARG CG C 13 27.072 0.053 . . . . . . A 431 ARG CG . 34503 1 1057 . 1 . 1 88 88 ARG CD C 13 43.230 0.054 . . . . . . A 431 ARG CD . 34503 1 1058 . 1 . 1 88 88 ARG N N 15 122.547 0.021 . . . . . . A 431 ARG N . 34503 1 1059 . 1 . 1 88 88 ARG NE N 15 84.448 0.029 . . . . . . A 431 ARG NE . 34503 1 1060 . 1 . 1 89 89 PRO HA H 1 4.448 0.012 . . . . . . A 432 PRO HA . 34503 1 1061 . 1 . 1 89 89 PRO HB2 H 1 2.284 0.001 . . . . . . A 432 PRO HB2 . 34503 1 1062 . 1 . 1 89 89 PRO HB3 H 1 1.820 0.007 . . . . . . A 432 PRO HB3 . 34503 1 1063 . 1 . 1 89 89 PRO HG2 H 1 2.038 0.001 . . . . . . A 432 PRO HG2 . 34503 1 1064 . 1 . 1 89 89 PRO HG3 H 1 1.945 0.005 . . . . . . A 432 PRO HG3 . 34503 1 1065 . 1 . 1 89 89 PRO HD2 H 1 3.938 0.020 . . . . . . A 432 PRO HD2 . 34503 1 1066 . 1 . 1 89 89 PRO HD3 H 1 3.602 0.020 . . . . . . A 432 PRO HD3 . 34503 1 1067 . 1 . 1 89 89 PRO CA C 13 62.204 0.054 . . . . . . A 432 PRO CA . 34503 1 1068 . 1 . 1 89 89 PRO CB C 13 31.907 0.028 . . . . . . A 432 PRO CB . 34503 1 1069 . 1 . 1 89 89 PRO CG C 13 27.505 0.057 . . . . . . A 432 PRO CG . 34503 1 1070 . 1 . 1 89 89 PRO CD C 13 50.736 0.080 . . . . . . A 432 PRO CD . 34503 1 1071 . 1 . 1 90 90 LEU H H 1 8.637 0.003 . . . . . . A 433 LEU H . 34503 1 1072 . 1 . 1 90 90 LEU HA H 1 4.574 0.020 . . . . . . A 433 LEU HA . 34503 1 1073 . 1 . 1 90 90 LEU HB2 H 1 1.604 0.003 . . . . . . A 433 LEU HB2 . 34503 1 1074 . 1 . 1 90 90 LEU HB3 H 1 0.940 0.005 . . . . . . A 433 LEU HB3 . 34503 1 1075 . 1 . 1 90 90 LEU HG H 1 1.872 0.003 . . . . . . A 433 LEU HG . 34503 1 1076 . 1 . 1 90 90 LEU HD11 H 1 0.744 0.003 . . . . . . A 433 LEU HD11 . 34503 1 1077 . 1 . 1 90 90 LEU HD12 H 1 0.744 0.003 . . . . . . A 433 LEU HD12 . 34503 1 1078 . 1 . 1 90 90 LEU HD13 H 1 0.744 0.003 . . . . . . A 433 LEU HD13 . 34503 1 1079 . 1 . 1 90 90 LEU HD21 H 1 0.823 0.005 . . . . . . A 433 LEU HD21 . 34503 1 1080 . 1 . 1 90 90 LEU HD22 H 1 0.823 0.005 . . . . . . A 433 LEU HD22 . 34503 1 1081 . 1 . 1 90 90 LEU HD23 H 1 0.823 0.005 . . . . . . A 433 LEU HD23 . 34503 1 1082 . 1 . 1 90 90 LEU CA C 13 52.746 0.200 . . . . . . A 433 LEU CA . 34503 1 1083 . 1 . 1 90 90 LEU CB C 13 40.596 0.018 . . . . . . A 433 LEU CB . 34503 1 1084 . 1 . 1 90 90 LEU CG C 13 27.195 0.022 . . . . . . A 433 LEU CG . 34503 1 1085 . 1 . 1 90 90 LEU CD1 C 13 27.226 0.054 . . . . . . A 433 LEU CD1 . 34503 1 1086 . 1 . 1 90 90 LEU CD2 C 13 23.814 0.012 . . . . . . A 433 LEU CD2 . 34503 1 1087 . 1 . 1 90 90 LEU N N 15 121.968 0.013 . . . . . . A 433 LEU N . 34503 1 1088 . 1 . 1 91 91 PRO HA H 1 4.846 0.006 . . . . . . A 434 PRO HA . 34503 1 1089 . 1 . 1 91 91 PRO HB2 H 1 2.322 0.020 . . . . . . A 434 PRO HB2 . 34503 1 1090 . 1 . 1 91 91 PRO HB3 H 1 2.242 0.020 . . . . . . A 434 PRO HB3 . 34503 1 1091 . 1 . 1 91 91 PRO HG2 H 1 1.574 0.020 . . . . . . A 434 PRO HG2 . 34503 1 1092 . 1 . 1 91 91 PRO HG3 H 1 1.352 0.020 . . . . . . A 434 PRO HG3 . 34503 1 1093 . 1 . 1 91 91 PRO HD2 H 1 3.855 0.004 . . . . . . A 434 PRO HD2 . 34503 1 1094 . 1 . 1 91 91 PRO HD3 H 1 3.217 0.006 . . . . . . A 434 PRO HD3 . 34503 1 1095 . 1 . 1 91 91 PRO CA C 13 61.954 0.004 . . . . . . A 434 PRO CA . 34503 1 1096 . 1 . 1 91 91 PRO CB C 13 32.114 0.200 . . . . . . A 434 PRO CB . 34503 1 1097 . 1 . 1 91 91 PRO CG C 13 26.137 0.200 . . . . . . A 434 PRO CG . 34503 1 1098 . 1 . 1 91 91 PRO CD C 13 49.338 0.056 . . . . . . A 434 PRO CD . 34503 1 1099 . 1 . 1 92 92 THR H H 1 8.581 0.004 . . . . . . A 435 THR H . 34503 1 1100 . 1 . 1 92 92 THR HA H 1 4.037 0.020 . . . . . . A 435 THR HA . 34503 1 1101 . 1 . 1 92 92 THR HB H 1 4.196 0.020 . . . . . . A 435 THR HB . 34503 1 1102 . 1 . 1 92 92 THR HG21 H 1 1.200 0.020 . . . . . . A 435 THR HG21 . 34503 1 1103 . 1 . 1 92 92 THR HG22 H 1 1.200 0.020 . . . . . . A 435 THR HG22 . 34503 1 1104 . 1 . 1 92 92 THR HG23 H 1 1.200 0.020 . . . . . . A 435 THR HG23 . 34503 1 1105 . 1 . 1 92 92 THR CA C 13 64.205 0.200 . . . . . . A 435 THR CA . 34503 1 1106 . 1 . 1 92 92 THR CB C 13 68.860 0.200 . . . . . . A 435 THR CB . 34503 1 1107 . 1 . 1 92 92 THR CG2 C 13 22.129 0.200 . . . . . . A 435 THR CG2 . 34503 1 1108 . 1 . 1 92 92 THR N N 15 111.927 0.017 . . . . . . A 435 THR N . 34503 1 1109 . 1 . 1 93 93 ALA H H 1 7.428 0.001 . . . . . . A 436 ALA H . 34503 1 1110 . 1 . 1 93 93 ALA HA H 1 4.329 0.020 . . . . . . A 436 ALA HA . 34503 1 1111 . 1 . 1 93 93 ALA HB1 H 1 1.196 0.020 . . . . . . A 436 ALA HB1 . 34503 1 1112 . 1 . 1 93 93 ALA HB2 H 1 1.196 0.020 . . . . . . A 436 ALA HB2 . 34503 1 1113 . 1 . 1 93 93 ALA HB3 H 1 1.196 0.020 . . . . . . A 436 ALA HB3 . 34503 1 1114 . 1 . 1 93 93 ALA CA C 13 50.307 0.200 . . . . . . A 436 ALA CA . 34503 1 1115 . 1 . 1 93 93 ALA CB C 13 21.629 0.200 . . . . . . A 436 ALA CB . 34503 1 1116 . 1 . 1 93 93 ALA N N 15 121.368 0.007 . . . . . . A 436 ALA N . 34503 1 1117 . 1 . 1 94 94 LEU H H 1 8.852 0.001 . . . . . . A 437 LEU H . 34503 1 1118 . 1 . 1 94 94 LEU HA H 1 3.974 0.005 . . . . . . A 437 LEU HA . 34503 1 1119 . 1 . 1 94 94 LEU HB2 H 1 1.392 0.004 . . . . . . A 437 LEU HB2 . 34503 1 1120 . 1 . 1 94 94 LEU HB3 H 1 1.392 0.004 . . . . . . A 437 LEU HB3 . 34503 1 1121 . 1 . 1 94 94 LEU HG H 1 1.488 0.005 . . . . . . A 437 LEU HG . 34503 1 1122 . 1 . 1 94 94 LEU HD11 H 1 0.714 0.007 . . . . . . A 437 LEU HD11 . 34503 1 1123 . 1 . 1 94 94 LEU HD12 H 1 0.714 0.007 . . . . . . A 437 LEU HD12 . 34503 1 1124 . 1 . 1 94 94 LEU HD13 H 1 0.714 0.007 . . . . . . A 437 LEU HD13 . 34503 1 1125 . 1 . 1 94 94 LEU HD21 H 1 0.685 0.002 . . . . . . A 437 LEU HD21 . 34503 1 1126 . 1 . 1 94 94 LEU HD22 H 1 0.685 0.002 . . . . . . A 437 LEU HD22 . 34503 1 1127 . 1 . 1 94 94 LEU HD23 H 1 0.685 0.002 . . . . . . A 437 LEU HD23 . 34503 1 1128 . 1 . 1 94 94 LEU CA C 13 53.121 0.004 . . . . . . A 437 LEU CA . 34503 1 1129 . 1 . 1 94 94 LEU CB C 13 41.970 0.011 . . . . . . A 437 LEU CB . 34503 1 1130 . 1 . 1 94 94 LEU CG C 13 26.442 0.200 . . . . . . A 437 LEU CG . 34503 1 1131 . 1 . 1 94 94 LEU CD1 C 13 25.482 0.041 . . . . . . A 437 LEU CD1 . 34503 1 1132 . 1 . 1 94 94 LEU CD2 C 13 25.197 0.018 . . . . . . A 437 LEU CD2 . 34503 1 1133 . 1 . 1 94 94 LEU N N 15 122.822 0.011 . . . . . . A 437 LEU N . 34503 1 1134 . 1 . 1 95 95 PRO HA H 1 4.362 0.004 . . . . . . A 438 PRO HA . 34503 1 1135 . 1 . 1 95 95 PRO HB2 H 1 2.111 0.002 . . . . . . A 438 PRO HB2 . 34503 1 1136 . 1 . 1 95 95 PRO HB3 H 1 1.680 0.020 . . . . . . A 438 PRO HB3 . 34503 1 1137 . 1 . 1 95 95 PRO HG2 H 1 1.311 0.001 . . . . . . A 438 PRO HG2 . 34503 1 1138 . 1 . 1 95 95 PRO HG3 H 1 1.153 0.003 . . . . . . A 438 PRO HG3 . 34503 1 1139 . 1 . 1 95 95 PRO HD2 H 1 3.548 0.001 . . . . . . A 438 PRO HD2 . 34503 1 1140 . 1 . 1 95 95 PRO HD3 H 1 3.002 0.003 . . . . . . A 438 PRO HD3 . 34503 1 1141 . 1 . 1 95 95 PRO CA C 13 62.487 0.013 . . . . . . A 438 PRO CA . 34503 1 1142 . 1 . 1 95 95 PRO CB C 13 31.971 0.013 . . . . . . A 438 PRO CB . 34503 1 1143 . 1 . 1 95 95 PRO CG C 13 26.738 0.032 . . . . . . A 438 PRO CG . 34503 1 1144 . 1 . 1 95 95 PRO CD C 13 50.327 0.020 . . . . . . A 438 PRO CD . 34503 1 1145 . 1 . 1 96 96 SER H H 1 8.628 0.006 . . . . . . A 439 SER H . 34503 1 1146 . 1 . 1 96 96 SER HA H 1 4.049 0.020 . . . . . . A 439 SER HA . 34503 1 1147 . 1 . 1 96 96 SER HB2 H 1 3.886 0.020 . . . . . . A 439 SER HB2 . 34503 1 1148 . 1 . 1 96 96 SER HB3 H 1 3.886 0.020 . . . . . . A 439 SER HB3 . 34503 1 1149 . 1 . 1 96 96 SER CA C 13 60.605 0.200 . . . . . . A 439 SER CA . 34503 1 1150 . 1 . 1 96 96 SER CB C 13 62.905 0.200 . . . . . . A 439 SER CB . 34503 1 1151 . 1 . 1 96 96 SER N N 15 118.764 0.033 . . . . . . A 439 SER N . 34503 1 1152 . 1 . 1 97 97 SER H H 1 7.965 0.002 . . . . . . A 440 SER H . 34503 1 1153 . 1 . 1 97 97 SER HA H 1 4.133 0.001 . . . . . . A 440 SER HA . 34503 1 1154 . 1 . 1 97 97 SER HB2 H 1 3.907 0.014 . . . . . . A 440 SER HB2 . 34503 1 1155 . 1 . 1 97 97 SER HB3 H 1 3.819 0.001 . . . . . . A 440 SER HB3 . 34503 1 1156 . 1 . 1 97 97 SER CA C 13 59.772 0.008 . . . . . . A 440 SER CA . 34503 1 1157 . 1 . 1 97 97 SER CB C 13 62.712 0.089 . . . . . . A 440 SER CB . 34503 1 1158 . 1 . 1 97 97 SER N N 15 114.123 0.017 . . . . . . A 440 SER N . 34503 1 1159 . 1 . 1 98 98 ILE H H 1 7.008 0.001 . . . . . . A 441 ILE H . 34503 1 1160 . 1 . 1 98 98 ILE HA H 1 3.970 0.020 . . . . . . A 441 ILE HA . 34503 1 1161 . 1 . 1 98 98 ILE HB H 1 1.512 0.001 . . . . . . A 441 ILE HB . 34503 1 1162 . 1 . 1 98 98 ILE HG12 H 1 1.121 0.006 . . . . . . A 441 ILE HG12 . 34503 1 1163 . 1 . 1 98 98 ILE HG13 H 1 0.885 0.011 . . . . . . A 441 ILE HG13 . 34503 1 1164 . 1 . 1 98 98 ILE HG21 H 1 0.427 0.001 . . . . . . A 441 ILE HG21 . 34503 1 1165 . 1 . 1 98 98 ILE HG22 H 1 0.427 0.001 . . . . . . A 441 ILE HG22 . 34503 1 1166 . 1 . 1 98 98 ILE HG23 H 1 0.427 0.001 . . . . . . A 441 ILE HG23 . 34503 1 1167 . 1 . 1 98 98 ILE HD11 H 1 0.361 0.004 . . . . . . A 441 ILE HD11 . 34503 1 1168 . 1 . 1 98 98 ILE HD12 H 1 0.361 0.004 . . . . . . A 441 ILE HD12 . 34503 1 1169 . 1 . 1 98 98 ILE HD13 H 1 0.361 0.004 . . . . . . A 441 ILE HD13 . 34503 1 1170 . 1 . 1 98 98 ILE CA C 13 62.154 0.002 . . . . . . A 441 ILE CA . 34503 1 1171 . 1 . 1 98 98 ILE CB C 13 38.294 0.022 . . . . . . A 441 ILE CB . 34503 1 1172 . 1 . 1 98 98 ILE CG1 C 13 26.913 0.028 . . . . . . A 441 ILE CG1 . 34503 1 1173 . 1 . 1 98 98 ILE CG2 C 13 17.656 0.004 . . . . . . A 441 ILE CG2 . 34503 1 1174 . 1 . 1 98 98 ILE CD1 C 13 13.627 0.024 . . . . . . A 441 ILE CD1 . 34503 1 1175 . 1 . 1 98 98 ILE N N 15 118.459 0.006 . . . . . . A 441 ILE N . 34503 1 1176 . 1 . 1 99 99 MET H H 1 7.424 0.003 . . . . . . A 442 MET H . 34503 1 1177 . 1 . 1 99 99 MET HA H 1 4.026 0.001 . . . . . . A 442 MET HA . 34503 1 1178 . 1 . 1 99 99 MET HB2 H 1 1.655 0.002 . . . . . . A 442 MET HB2 . 34503 1 1179 . 1 . 1 99 99 MET HB3 H 1 1.655 0.002 . . . . . . A 442 MET HB3 . 34503 1 1180 . 1 . 1 99 99 MET HG2 H 1 2.103 0.005 . . . . . . A 442 MET HG2 . 34503 1 1181 . 1 . 1 99 99 MET HG3 H 1 2.103 0.005 . . . . . . A 442 MET HG3 . 34503 1 1182 . 1 . 1 99 99 MET HE1 H 1 1.809 0.020 . . . . . . A 442 MET HE1 . 34503 1 1183 . 1 . 1 99 99 MET HE2 H 1 1.809 0.020 . . . . . . A 442 MET HE2 . 34503 1 1184 . 1 . 1 99 99 MET HE3 H 1 1.809 0.020 . . . . . . A 442 MET HE3 . 34503 1 1185 . 1 . 1 99 99 MET CA C 13 56.184 0.009 . . . . . . A 442 MET CA . 34503 1 1186 . 1 . 1 99 99 MET CB C 13 32.844 0.005 . . . . . . A 442 MET CB . 34503 1 1187 . 1 . 1 99 99 MET CG C 13 31.840 0.021 . . . . . . A 442 MET CG . 34503 1 1188 . 1 . 1 99 99 MET CE C 13 16.951 0.200 . . . . . . A 442 MET CE . 34503 1 1189 . 1 . 1 99 99 MET N N 15 118.399 0.020 . . . . . . A 442 MET N . 34503 1 1190 . 1 . 1 100 100 PHE H H 1 7.795 0.001 . . . . . . A 443 PHE H . 34503 1 1191 . 1 . 1 100 100 PHE HA H 1 4.551 0.020 . . . . . . A 443 PHE HA . 34503 1 1192 . 1 . 1 100 100 PHE HB2 H 1 3.112 0.002 . . . . . . A 443 PHE HB2 . 34503 1 1193 . 1 . 1 100 100 PHE HB3 H 1 2.804 0.001 . . . . . . A 443 PHE HB3 . 34503 1 1194 . 1 . 1 100 100 PHE HD1 H 1 7.123 0.007 . . . . . . A 443 PHE HD1 . 34503 1 1195 . 1 . 1 100 100 PHE HD2 H 1 7.123 0.007 . . . . . . A 443 PHE HD2 . 34503 1 1196 . 1 . 1 100 100 PHE CA C 13 56.953 0.015 . . . . . . A 443 PHE CA . 34503 1 1197 . 1 . 1 100 100 PHE CB C 13 39.213 0.029 . . . . . . A 443 PHE CB . 34503 1 1198 . 1 . 1 100 100 PHE CD1 C 13 131.905 0.014 . . . . . . A 443 PHE CD1 . 34503 1 1199 . 1 . 1 100 100 PHE CD2 C 13 131.905 0.014 . . . . . . A 443 PHE CD2 . 34503 1 1200 . 1 . 1 100 100 PHE N N 15 117.419 0.006 . . . . . . A 443 PHE N . 34503 1 1201 . 1 . 1 101 101 ASP H H 1 7.715 0.001 . . . . . . A 444 ASP H . 34503 1 1202 . 1 . 1 101 101 ASP HA H 1 4.419 0.004 . . . . . . A 444 ASP HA . 34503 1 1203 . 1 . 1 101 101 ASP HB2 H 1 2.624 0.020 . . . . . . A 444 ASP HB2 . 34503 1 1204 . 1 . 1 101 101 ASP HB3 H 1 2.624 0.020 . . . . . . A 444 ASP HB3 . 34503 1 1205 . 1 . 1 101 101 ASP CA C 13 54.621 0.010 . . . . . . A 444 ASP CA . 34503 1 1206 . 1 . 1 101 101 ASP CB C 13 41.670 0.200 . . . . . . A 444 ASP CB . 34503 1 1207 . 1 . 1 101 101 ASP N N 15 121.988 0.009 . . . . . . A 444 ASP N . 34503 1 1208 . 1 . 1 102 102 GLU H H 1 8.760 0.001 . . . . . . A 445 GLU H . 34503 1 1209 . 1 . 1 102 102 GLU HA H 1 4.059 0.001 . . . . . . A 445 GLU HA . 34503 1 1210 . 1 . 1 102 102 GLU HB2 H 1 2.054 0.001 . . . . . . A 445 GLU HB2 . 34503 1 1211 . 1 . 1 102 102 GLU HB3 H 1 1.949 0.002 . . . . . . A 445 GLU HB3 . 34503 1 1212 . 1 . 1 102 102 GLU HG2 H 1 2.232 0.005 . . . . . . A 445 GLU HG2 . 34503 1 1213 . 1 . 1 102 102 GLU HG3 H 1 2.232 0.005 . . . . . . A 445 GLU HG3 . 34503 1 1214 . 1 . 1 102 102 GLU CA C 13 58.197 0.006 . . . . . . A 445 GLU CA . 34503 1 1215 . 1 . 1 102 102 GLU CB C 13 29.651 0.022 . . . . . . A 445 GLU CB . 34503 1 1216 . 1 . 1 102 102 GLU CG C 13 36.322 0.009 . . . . . . A 445 GLU CG . 34503 1 1217 . 1 . 1 102 102 GLU N N 15 123.887 0.005 . . . . . . A 445 GLU N . 34503 1 1218 . 1 . 1 103 103 THR H H 1 8.452 0.001 . . . . . . A 446 THR H . 34503 1 1219 . 1 . 1 103 103 THR HA H 1 4.104 0.020 . . . . . . A 446 THR HA . 34503 1 1220 . 1 . 1 103 103 THR HB H 1 4.093 0.020 . . . . . . A 446 THR HB . 34503 1 1221 . 1 . 1 103 103 THR HG21 H 1 1.120 0.020 . . . . . . A 446 THR HG21 . 34503 1 1222 . 1 . 1 103 103 THR HG22 H 1 1.120 0.020 . . . . . . A 446 THR HG22 . 34503 1 1223 . 1 . 1 103 103 THR HG23 H 1 1.120 0.020 . . . . . . A 446 THR HG23 . 34503 1 1224 . 1 . 1 103 103 THR CA C 13 63.740 0.200 . . . . . . A 446 THR CA . 34503 1 1225 . 1 . 1 103 103 THR CB C 13 69.050 0.200 . . . . . . A 446 THR CB . 34503 1 1226 . 1 . 1 103 103 THR CG2 C 13 21.954 0.200 . . . . . . A 446 THR CG2 . 34503 1 1227 . 1 . 1 103 103 THR N N 15 114.367 0.005 . . . . . . A 446 THR N . 34503 1 1228 . 1 . 1 104 104 LEU H H 1 7.794 0.001 . . . . . . A 447 LEU H . 34503 1 1229 . 1 . 1 104 104 LEU HA H 1 4.222 0.001 . . . . . . A 447 LEU HA . 34503 1 1230 . 1 . 1 104 104 LEU HB2 H 1 1.662 0.020 . . . . . . A 447 LEU HB2 . 34503 1 1231 . 1 . 1 104 104 LEU HB3 H 1 1.540 0.020 . . . . . . A 447 LEU HB3 . 34503 1 1232 . 1 . 1 104 104 LEU HG H 1 1.548 0.020 . . . . . . A 447 LEU HG . 34503 1 1233 . 1 . 1 104 104 LEU HD11 H 1 0.844 0.020 . . . . . . A 447 LEU HD11 . 34503 1 1234 . 1 . 1 104 104 LEU HD12 H 1 0.844 0.020 . . . . . . A 447 LEU HD12 . 34503 1 1235 . 1 . 1 104 104 LEU HD13 H 1 0.844 0.020 . . . . . . A 447 LEU HD13 . 34503 1 1236 . 1 . 1 104 104 LEU HD21 H 1 0.768 0.020 . . . . . . A 447 LEU HD21 . 34503 1 1237 . 1 . 1 104 104 LEU HD22 H 1 0.768 0.020 . . . . . . A 447 LEU HD22 . 34503 1 1238 . 1 . 1 104 104 LEU HD23 H 1 0.768 0.020 . . . . . . A 447 LEU HD23 . 34503 1 1239 . 1 . 1 104 104 LEU CA C 13 55.528 0.008 . . . . . . A 447 LEU CA . 34503 1 1240 . 1 . 1 104 104 LEU CB C 13 42.299 0.002 . . . . . . A 447 LEU CB . 34503 1 1241 . 1 . 1 104 104 LEU CG C 13 26.929 0.200 . . . . . . A 447 LEU CG . 34503 1 1242 . 1 . 1 104 104 LEU CD1 C 13 25.329 0.200 . . . . . . A 447 LEU CD1 . 34503 1 1243 . 1 . 1 104 104 LEU CD2 C 13 23.714 0.200 . . . . . . A 447 LEU CD2 . 34503 1 1244 . 1 . 1 104 104 LEU N N 15 122.056 0.005 . . . . . . A 447 LEU N . 34503 1 1245 . 1 . 1 105 105 LEU H H 1 7.695 0.001 . . . . . . A 448 LEU H . 34503 1 1246 . 1 . 1 105 105 LEU HA H 1 4.312 0.020 . . . . . . A 448 LEU HA . 34503 1 1247 . 1 . 1 105 105 LEU HB2 H 1 1.625 0.009 . . . . . . A 448 LEU HB2 . 34503 1 1248 . 1 . 1 105 105 LEU HB3 H 1 1.567 0.006 . . . . . . A 448 LEU HB3 . 34503 1 1249 . 1 . 1 105 105 LEU HG H 1 1.563 0.020 . . . . . . A 448 LEU HG . 34503 1 1250 . 1 . 1 105 105 LEU HD11 H 1 0.842 0.002 . . . . . . A 448 LEU HD11 . 34503 1 1251 . 1 . 1 105 105 LEU HD12 H 1 0.842 0.002 . . . . . . A 448 LEU HD12 . 34503 1 1252 . 1 . 1 105 105 LEU HD13 H 1 0.842 0.002 . . . . . . A 448 LEU HD13 . 34503 1 1253 . 1 . 1 105 105 LEU HD21 H 1 0.774 0.002 . . . . . . A 448 LEU HD21 . 34503 1 1254 . 1 . 1 105 105 LEU HD22 H 1 0.774 0.002 . . . . . . A 448 LEU HD22 . 34503 1 1255 . 1 . 1 105 105 LEU HD23 H 1 0.774 0.002 . . . . . . A 448 LEU HD23 . 34503 1 1256 . 1 . 1 105 105 LEU CA C 13 54.921 0.007 . . . . . . A 448 LEU CA . 34503 1 1257 . 1 . 1 105 105 LEU CB C 13 42.275 0.031 . . . . . . A 448 LEU CB . 34503 1 1258 . 1 . 1 105 105 LEU CG C 13 26.989 0.033 . . . . . . A 448 LEU CG . 34503 1 1259 . 1 . 1 105 105 LEU CD1 C 13 25.352 0.022 . . . . . . A 448 LEU CD1 . 34503 1 1260 . 1 . 1 105 105 LEU CD2 C 13 23.304 0.023 . . . . . . A 448 LEU CD2 . 34503 1 1261 . 1 . 1 105 105 LEU N N 15 120.611 0.002 . . . . . . A 448 LEU N . 34503 1 1262 . 1 . 1 106 106 SER H H 1 7.620 0.001 . . . . . . A 449 SER H . 34503 1 1263 . 1 . 1 106 106 SER HA H 1 4.166 0.020 . . . . . . A 449 SER HA . 34503 1 1264 . 1 . 1 106 106 SER HB2 H 1 3.782 0.020 . . . . . . A 449 SER HB2 . 34503 1 1265 . 1 . 1 106 106 SER HB3 H 1 3.782 0.020 . . . . . . A 449 SER HB3 . 34503 1 1266 . 1 . 1 106 106 SER CA C 13 60.116 0.200 . . . . . . A 449 SER CA . 34503 1 1267 . 1 . 1 106 106 SER CB C 13 64.959 0.200 . . . . . . A 449 SER CB . 34503 1 1268 . 1 . 1 106 106 SER N N 15 121.251 0.009 . . . . . . A 449 SER N . 34503 1 stop_ save_