data_18535 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18535 _Entry.Title ; SOLUTION STRUCTURE OF DOUBLE-STRANDED RNA BINDING DOMAIN OF S.CEREVISIAE RNASE III (RNT1P) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-19 _Entry.Accession_date 2012-06-19 _Entry.Last_release_date 2012-08-29 _Entry.Original_release_date 2012-08-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zhonghua Wang . . . 18535 2 Juli Feigon . . . 18535 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18535 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DSRBD . 18535 RNT1P . 18535 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18535 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 18535 '15N chemical shifts' 84 18535 '1H chemical shifts' 539 18535 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-29 2012-06-19 original author . 18535 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18534 'Double Stranded RNA binding domain of Ribonuclease III(Rnt1p) in complex with RNA' 18535 PDB 2LUQ 'BMRB Entry Tracking System' 18535 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18535 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21742266 _Citation.Full_citation . _Citation.Title 'Structure of a yeast RNase III dsRBD complex with a noncanonical RNA substrate provides new insights into binding specificity of dsRBDs.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 19 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 999 _Citation.Page_last 1010 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zhonghua Wang . . . 18535 1 2 Elon Hartman . . . 18535 1 3 Kevin Roy . . . 18535 1 4 Guillaume Chanfreau . . . 18535 1 5 Juli Feigon . . . 18535 1 stop_ save_ save_reference _Citation.Sf_category citations _Citation.Sf_framecode reference _Citation.Entry_ID 18535 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'STRUCTURE OF A YEAST RNASE III DSRBD COMPLEX WITH A NONCANONICAL RNA SUBSTRATE PROVIDES NEW INSIGHTS INTO BINDING SPECIFICITY OF DSRBDS.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 999 _Citation.Page_last 1010 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zhonghua Wang . . . 18535 2 2 Elon Hartman . . . 18535 2 3 Kevin Roy . . . 18535 2 4 Guillaume Chanfreau . . . 18535 2 5 Juli Feigon . . . 18535 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18535 _Assembly.ID 1 _Assembly.Name 'Ribonuclease III' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Ribonuclease III' 1 $Ribonuc_III A . yes native no no . . . 18535 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ribonuc_III _Entity.Sf_category entity _Entity.Sf_framecode Ribonuc_III _Entity.Entry_ID 18535 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ribonuclease III' _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 ; GSLDMNAKRQLYSLIGYASL RLHYVTVKKPTAVDPNSIVE CRVGDGTVLGTGVGRNIKIA GIRAAENALRDKKMLDFYAK QRAAIPRSES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9822.442 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17574 . "yeast RNase III dsRBD" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 18535 1 2 no BMRB 18534 . "Ribonuclease III" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 18535 1 3 no PDB 1T4L . "Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With The 5' Terminal Rna" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 18535 1 4 no PDB 1T4N . "Solution Structure Of Rnt1p Dsrbd" . . . . . 91.11 94 100.00 100.00 1.76e-51 . . . . 18535 1 5 no PDB 1T4O . "Crystal Structure Of Rnt1p Dsrbd" . . . . . 97.78 117 100.00 100.00 1.72e-56 . . . . 18535 1 6 no PDB 2LBS . "Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With Aagu Tetraloop Hair" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 18535 1 7 no PDB 2LUP . "Rdc Refined Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With The Ter" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 18535 1 8 no PDB 2LUQ . "Solution Structure Of Double-stranded Rna Binding Domain Of S.cerevisiae Rnase Iii (rnt1p)" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 18535 1 9 no PDB 4OOG . "Crystal Structure Of Yeast Rnase Iii (rnt1p) Complexed With The Product Of Dsrna Processing" . . . . . 97.78 261 100.00 100.00 1.34e-54 . . . . 18535 1 10 no DBJ GAA25690 . "K7_Rnt1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 18535 1 11 no EMBL CAA90210 . "unknown [Saccharomyces cerevisiae]" . . . . . 97.78 362 100.00 100.00 5.24e-52 . . . . 18535 1 12 no EMBL CAY82070 . "Rnt1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.78 471 98.86 98.86 3.86e-50 . . . . 18535 1 13 no GB AAB04172 . "Rnt1p [Saccharomyces cerevisiae]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 18535 1 14 no GB AHY76694 . "Rnt1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 18535 1 15 no GB AJP40933 . "Rnt1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.78 471 100.00 100.00 9.79e-51 . . . . 18535 1 16 no GB AJS62105 . "Rnt1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 18535 1 17 no GB AJS62540 . "Rnt1p [Saccharomyces cerevisiae YJM193]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 18535 1 18 no REF NP_013966 . "Rnt1p [Saccharomyces cerevisiae S288c]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 18535 1 19 no SP Q02555 . "RecName: Full=Ribonuclease 3; AltName: Full=Ribonuclease III; Short=RNase III" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 18535 1 20 no TPG DAA10139 . "TPA: Rnt1p [Saccharomyces cerevisiae S288c]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 18535 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 1 364 GLY . 18535 1 2 365 SER . 18535 1 3 366 LEU . 18535 1 4 367 ASP . 18535 1 5 368 MET . 18535 1 6 369 ASN . 18535 1 7 370 ALA . 18535 1 8 371 LYS . 18535 1 9 372 ARG . 18535 1 10 373 GLN . 18535 1 11 374 LEU . 18535 1 12 375 TYR . 18535 1 13 376 SER . 18535 1 14 377 LEU . 18535 1 15 378 ILE . 18535 1 16 379 GLY . 18535 1 17 380 TYR . 18535 1 18 381 ALA . 18535 1 19 382 SER . 18535 1 20 383 LEU . 18535 1 21 384 ARG . 18535 1 22 385 LEU . 18535 1 23 386 HIS . 18535 1 24 387 TYR . 18535 1 25 388 VAL . 18535 1 26 389 THR . 18535 1 27 390 VAL . 18535 1 28 391 LYS . 18535 1 29 392 LYS . 18535 1 30 393 PRO . 18535 1 31 394 THR . 18535 1 32 395 ALA . 18535 1 33 396 VAL . 18535 1 34 397 ASP . 18535 1 35 398 PRO . 18535 1 36 399 ASN . 18535 1 37 400 SER . 18535 1 38 401 ILE . 18535 1 39 402 VAL . 18535 1 40 403 GLU . 18535 1 41 404 CYS . 18535 1 42 405 ARG . 18535 1 43 406 VAL . 18535 1 44 407 GLY . 18535 1 45 408 ASP . 18535 1 46 409 GLY . 18535 1 47 410 THR . 18535 1 48 411 VAL . 18535 1 49 412 LEU . 18535 1 50 413 GLY . 18535 1 51 414 THR . 18535 1 52 415 GLY . 18535 1 53 416 VAL . 18535 1 54 417 GLY . 18535 1 55 418 ARG . 18535 1 56 419 ASN . 18535 1 57 420 ILE . 18535 1 58 421 LYS . 18535 1 59 422 ILE . 18535 1 60 423 ALA . 18535 1 61 424 GLY . 18535 1 62 425 ILE . 18535 1 63 426 ARG . 18535 1 64 427 ALA . 18535 1 65 428 ALA . 18535 1 66 429 GLU . 18535 1 67 430 ASN . 18535 1 68 431 ALA . 18535 1 69 432 LEU . 18535 1 70 433 ARG . 18535 1 71 434 ASP . 18535 1 72 435 LYS . 18535 1 73 436 LYS . 18535 1 74 437 MET . 18535 1 75 438 LEU . 18535 1 76 439 ASP . 18535 1 77 440 PHE . 18535 1 78 441 TYR . 18535 1 79 442 ALA . 18535 1 80 443 LYS . 18535 1 81 444 GLN . 18535 1 82 445 ARG . 18535 1 83 446 ALA . 18535 1 84 447 ALA . 18535 1 85 448 ILE . 18535 1 86 449 PRO . 18535 1 87 450 ARG . 18535 1 88 451 SER . 18535 1 89 452 GLU . 18535 1 90 453 SER . 18535 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 18535 1 . SER 2 2 18535 1 . LEU 3 3 18535 1 . ASP 4 4 18535 1 . MET 5 5 18535 1 . ASN 6 6 18535 1 . ALA 7 7 18535 1 . LYS 8 8 18535 1 . ARG 9 9 18535 1 . GLN 10 10 18535 1 . LEU 11 11 18535 1 . TYR 12 12 18535 1 . SER 13 13 18535 1 . LEU 14 14 18535 1 . ILE 15 15 18535 1 . GLY 16 16 18535 1 . TYR 17 17 18535 1 . ALA 18 18 18535 1 . SER 19 19 18535 1 . LEU 20 20 18535 1 . ARG 21 21 18535 1 . LEU 22 22 18535 1 . HIS 23 23 18535 1 . TYR 24 24 18535 1 . VAL 25 25 18535 1 . THR 26 26 18535 1 . VAL 27 27 18535 1 . LYS 28 28 18535 1 . LYS 29 29 18535 1 . PRO 30 30 18535 1 . THR 31 31 18535 1 . ALA 32 32 18535 1 . VAL 33 33 18535 1 . ASP 34 34 18535 1 . PRO 35 35 18535 1 . ASN 36 36 18535 1 . SER 37 37 18535 1 . ILE 38 38 18535 1 . VAL 39 39 18535 1 . GLU 40 40 18535 1 . CYS 41 41 18535 1 . ARG 42 42 18535 1 . VAL 43 43 18535 1 . GLY 44 44 18535 1 . ASP 45 45 18535 1 . GLY 46 46 18535 1 . THR 47 47 18535 1 . VAL 48 48 18535 1 . LEU 49 49 18535 1 . GLY 50 50 18535 1 . THR 51 51 18535 1 . GLY 52 52 18535 1 . VAL 53 53 18535 1 . GLY 54 54 18535 1 . ARG 55 55 18535 1 . ASN 56 56 18535 1 . ILE 57 57 18535 1 . LYS 58 58 18535 1 . ILE 59 59 18535 1 . ALA 60 60 18535 1 . GLY 61 61 18535 1 . ILE 62 62 18535 1 . ARG 63 63 18535 1 . ALA 64 64 18535 1 . ALA 65 65 18535 1 . GLU 66 66 18535 1 . ASN 67 67 18535 1 . ALA 68 68 18535 1 . LEU 69 69 18535 1 . ARG 70 70 18535 1 . ASP 71 71 18535 1 . LYS 72 72 18535 1 . LYS 73 73 18535 1 . MET 74 74 18535 1 . LEU 75 75 18535 1 . ASP 76 76 18535 1 . PHE 77 77 18535 1 . TYR 78 78 18535 1 . ALA 79 79 18535 1 . LYS 80 80 18535 1 . GLN 81 81 18535 1 . ARG 82 82 18535 1 . ALA 83 83 18535 1 . ALA 84 84 18535 1 . ILE 85 85 18535 1 . PRO 86 86 18535 1 . ARG 87 87 18535 1 . SER 88 88 18535 1 . GLU 89 89 18535 1 . SER 90 90 18535 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18535 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ribonuc_III . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae YM9408.01C,YM9959.21 YMR239C . . . . . . . . . . . . . . RNT1 . . . . 18535 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 18535 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ribonuc_III . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . PGEX-2T . . . . . . 18535 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18535 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM phosphate, Ph6.5, 150mM NaCl' _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 'Ribonuclease III' '[U-100% 13C; U-100% 15N]' . . 1 $Ribonuc_III . . 1 . . mM . . . . 18535 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18535 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 18535 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18535 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18535 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18535 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM phosphate, Ph6.5, 150mM NaCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Ribonuclease III' '[U-100% 13C; U-100% 15N]' . . 1 $Ribonuc_III . . 1 . . mM . . . . 18535 2 2 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 18535 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18535 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18535 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18535 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 18535 1 pH 6.5 . pH 18535 1 pressure 1 . atm 18535 1 temperature 298 . K 18535 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18535 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18535 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18535 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18535 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18535 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18535 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18535 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18535 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18535 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18535 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18535 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18535 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18535 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18535 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18535 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18535 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18535 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18535 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 18535 1 2 spectrometer_2 Bruker DRX . 600 . . . 18535 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 18535 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18535 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18535 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18535 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18535 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18535 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18535 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18535 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18535 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18535 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18535 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18535 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18535 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18535 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18535 1 2 '3D HNCACB' . . . 18535 1 4 '3D HNCO' . . . 18535 1 5 '3D HCCH-TOCSY' . . . 18535 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 174.34 0.30 . 1 . . . A 365 SER C . 18535 1 2 . 1 1 2 2 SER CA C 13 58.46 0.30 . 1 . . . A 365 SER CA . 18535 1 3 . 1 1 2 2 SER CB C 13 63.78 0.30 . 1 . . . A 365 SER CB . 18535 1 4 . 1 1 3 3 LEU H H 1 8.32 0.02 . 1 . . . A 366 LEU H . 18535 1 5 . 1 1 3 3 LEU HA H 1 4.43 0.02 . 1 . . . A 366 LEU HA . 18535 1 6 . 1 1 3 3 LEU HB2 H 1 1.57 0.02 . 2 . . . A 366 LEU HB2 . 18535 1 7 . 1 1 3 3 LEU HB3 H 1 1.54 0.02 . 2 . . . A 366 LEU HB3 . 18535 1 8 . 1 1 3 3 LEU HG H 1 1.53 0.02 . 1 . . . A 366 LEU HG . 18535 1 9 . 1 1 3 3 LEU HD11 H 1 0.88 0.02 . 2 . . . A 366 LEU HD11 . 18535 1 10 . 1 1 3 3 LEU HD12 H 1 0.88 0.02 . 2 . . . A 366 LEU HD12 . 18535 1 11 . 1 1 3 3 LEU HD13 H 1 0.88 0.02 . 2 . . . A 366 LEU HD13 . 18535 1 12 . 1 1 3 3 LEU HD21 H 1 0.84 0.02 . 2 . . . A 366 LEU HD21 . 18535 1 13 . 1 1 3 3 LEU HD22 H 1 0.84 0.02 . 2 . . . A 366 LEU HD22 . 18535 1 14 . 1 1 3 3 LEU HD23 H 1 0.84 0.02 . 2 . . . A 366 LEU HD23 . 18535 1 15 . 1 1 3 3 LEU C C 13 176.49 0.30 . 1 . . . A 366 LEU C . 18535 1 16 . 1 1 3 3 LEU CA C 13 55.81 0.30 . 1 . . . A 366 LEU CA . 18535 1 17 . 1 1 3 3 LEU CB C 13 43.06 0.30 . 1 . . . A 366 LEU CB . 18535 1 18 . 1 1 3 3 LEU CG C 13 27.39 0.30 . 1 . . . A 366 LEU CG . 18535 1 19 . 1 1 3 3 LEU CD1 C 13 25.03 0.30 . 1 . . . A 366 LEU CD1 . 18535 1 20 . 1 1 3 3 LEU CD2 C 13 25.03 0.30 . 1 . . . A 366 LEU CD2 . 18535 1 21 . 1 1 3 3 LEU N N 15 124.11 0.30 . 1 . . . A 366 LEU N . 18535 1 22 . 1 1 4 4 ASP H H 1 8.44 0.02 . 1 . . . A 367 ASP H . 18535 1 23 . 1 1 4 4 ASP HA H 1 4.71 0.02 . 1 . . . A 367 ASP HA . 18535 1 24 . 1 1 4 4 ASP HB2 H 1 2.55 0.02 . 2 . . . A 367 ASP HB2 . 18535 1 25 . 1 1 4 4 ASP HB3 H 1 2.77 0.02 . 2 . . . A 367 ASP HB3 . 18535 1 26 . 1 1 4 4 ASP C C 13 176.16 0.30 . 1 . . . A 367 ASP C . 18535 1 27 . 1 1 4 4 ASP CA C 13 53.96 0.30 . 1 . . . A 367 ASP CA . 18535 1 28 . 1 1 4 4 ASP CB C 13 40.42 0.30 . 1 . . . A 367 ASP CB . 18535 1 29 . 1 1 4 4 ASP N N 15 122.58 0.30 . 1 . . . A 367 ASP N . 18535 1 30 . 1 1 5 5 MET H H 1 8.26 0.02 . 1 . . . A 368 MET H . 18535 1 31 . 1 1 5 5 MET HA H 1 4.42 0.02 . 1 . . . A 368 MET HA . 18535 1 32 . 1 1 5 5 MET HB2 H 1 1.97 0.02 . 2 . . . A 368 MET HB2 . 18535 1 33 . 1 1 5 5 MET HB3 H 1 2.51 0.02 . 2 . . . A 368 MET HB3 . 18535 1 34 . 1 1 5 5 MET C C 13 176.42 0.30 . 1 . . . A 368 MET C . 18535 1 35 . 1 1 5 5 MET CA C 13 55.44 0.30 . 1 . . . A 368 MET CA . 18535 1 36 . 1 1 5 5 MET CB C 13 31.95 0.30 . 1 . . . A 368 MET CB . 18535 1 37 . 1 1 5 5 MET N N 15 121.43 0.30 . 1 . . . A 368 MET N . 18535 1 38 . 1 1 6 6 ASN H H 1 8.25 0.02 . 1 . . . A 369 ASN H . 18535 1 39 . 1 1 6 6 ASN HA H 1 4.71 0.02 . 1 . . . A 369 ASN HA . 18535 1 40 . 1 1 6 6 ASN HB2 H 1 2.81 0.02 . 2 . . . A 369 ASN HB2 . 18535 1 41 . 1 1 6 6 ASN HB3 H 1 2.95 0.02 . 2 . . . A 369 ASN HB3 . 18535 1 42 . 1 1 6 6 ASN C C 13 176.22 0.30 . 1 . . . A 369 ASN C . 18535 1 43 . 1 1 6 6 ASN CA C 13 52.85 0.30 . 1 . . . A 369 ASN CA . 18535 1 44 . 1 1 6 6 ASN CB C 13 39.3 0.30 . 1 . . . A 369 ASN CB . 18535 1 45 . 1 1 6 6 ASN N N 15 118.94 0.30 . 1 . . . A 369 ASN N . 18535 1 46 . 1 1 7 7 ALA H H 1 8.31 0.02 . 1 . . . A 370 ALA H . 18535 1 47 . 1 1 7 7 ALA HA H 1 3.97 0.02 . 1 . . . A 370 ALA HA . 18535 1 48 . 1 1 7 7 ALA HB1 H 1 1.46 0.02 . 1 . . . A 370 ALA HB1 . 18535 1 49 . 1 1 7 7 ALA HB2 H 1 1.46 0.02 . 1 . . . A 370 ALA HB2 . 18535 1 50 . 1 1 7 7 ALA HB3 H 1 1.46 0.02 . 1 . . . A 370 ALA HB3 . 18535 1 51 . 1 1 7 7 ALA C C 13 179.14 0.30 . 1 . . . A 370 ALA C . 18535 1 52 . 1 1 7 7 ALA CA C 13 56.39 0.30 . 1 . . . A 370 ALA CA . 18535 1 53 . 1 1 7 7 ALA CB C 13 20.18 0.30 . 1 . . . A 370 ALA CB . 18535 1 54 . 1 1 7 7 ALA N N 15 122.77 0.30 . 1 . . . A 370 ALA N . 18535 1 55 . 1 1 8 8 LYS H H 1 7.92 0.02 . 1 . . . A 371 LYS H . 18535 1 56 . 1 1 8 8 LYS HA H 1 3.87 0.02 . 1 . . . A 371 LYS HA . 18535 1 57 . 1 1 8 8 LYS HB2 H 1 1.74 0.02 . 2 . . . A 371 LYS HB2 . 18535 1 58 . 1 1 8 8 LYS HB3 H 1 1.74 0.02 . 2 . . . A 371 LYS HB3 . 18535 1 59 . 1 1 8 8 LYS HD2 H 1 1.59 0.02 . 2 . . . A 371 LYS HD2 . 18535 1 60 . 1 1 8 8 LYS HD3 H 1 1.99 0.02 . 2 . . . A 371 LYS HD3 . 18535 1 61 . 1 1 8 8 LYS C C 13 180.46 0.30 . 1 . . . A 371 LYS C . 18535 1 62 . 1 1 8 8 LYS CA C 13 60.26 0.30 . 1 . . . A 371 LYS CA . 18535 1 63 . 1 1 8 8 LYS CB C 13 32.08 0.30 . 1 . . . A 371 LYS CB . 18535 1 64 . 1 1 8 8 LYS CE C 13 41.08 0.30 . 1 . . . A 371 LYS CE . 18535 1 65 . 1 1 8 8 LYS N N 15 114.27 0.30 . 1 . . . A 371 LYS N . 18535 1 66 . 1 1 9 9 ARG H H 1 7.63 0.02 . 1 . . . A 372 ARG H . 18535 1 67 . 1 1 9 9 ARG HA H 1 4.09 0.02 . 1 . . . A 372 ARG HA . 18535 1 68 . 1 1 9 9 ARG HB2 H 1 1.89 0.02 . 2 . . . A 372 ARG HB2 . 18535 1 69 . 1 1 9 9 ARG HB3 H 1 1.89 0.02 . 2 . . . A 372 ARG HB3 . 18535 1 70 . 1 1 9 9 ARG HG2 H 1 1.74 0.02 . 2 . . . A 372 ARG HG2 . 18535 1 71 . 1 1 9 9 ARG HG3 H 1 1.74 0.02 . 2 . . . A 372 ARG HG3 . 18535 1 72 . 1 1 9 9 ARG HD2 H 1 3.18 0.02 . 2 . . . A 372 ARG HD2 . 18535 1 73 . 1 1 9 9 ARG HD3 H 1 3.18 0.02 . 2 . . . A 372 ARG HD3 . 18535 1 74 . 1 1 9 9 ARG C C 13 179.21 0.30 . 1 . . . A 372 ARG C . 18535 1 75 . 1 1 9 9 ARG CA C 13 59.11 0.30 . 1 . . . A 372 ARG CA . 18535 1 76 . 1 1 9 9 ARG CB C 13 29.81 0.30 . 1 . . . A 372 ARG CB . 18535 1 77 . 1 1 9 9 ARG CG C 13 27.58 0.30 . 1 . . . A 372 ARG CG . 18535 1 78 . 1 1 9 9 ARG CD C 13 43.12 0.30 . 1 . . . A 372 ARG CD . 18535 1 79 . 1 1 9 9 ARG N N 15 121.09 0.30 . 1 . . . A 372 ARG N . 18535 1 80 . 1 1 10 10 GLN H H 1 8.5 0.02 . 1 . . . A 373 GLN H . 18535 1 81 . 1 1 10 10 GLN HA H 1 4.07 0.02 . 1 . . . A 373 GLN HA . 18535 1 82 . 1 1 10 10 GLN HB2 H 1 2.01 0.02 . 2 . . . A 373 GLN HB2 . 18535 1 83 . 1 1 10 10 GLN HB3 H 1 2.1 0.02 . 2 . . . A 373 GLN HB3 . 18535 1 84 . 1 1 10 10 GLN HG2 H 1 2.31 0.02 . 2 . . . A 373 GLN HG2 . 18535 1 85 . 1 1 10 10 GLN HG3 H 1 2.31 0.02 . 2 . . . A 373 GLN HG3 . 18535 1 86 . 1 1 10 10 GLN C C 13 178.77 0.30 . 1 . . . A 373 GLN C . 18535 1 87 . 1 1 10 10 GLN CA C 13 58.85 0.30 . 1 . . . A 373 GLN CA . 18535 1 88 . 1 1 10 10 GLN CB C 13 28.47 0.30 . 1 . . . A 373 GLN CB . 18535 1 89 . 1 1 10 10 GLN CG C 13 33.32 0.30 . 1 . . . A 373 GLN CG . 18535 1 90 . 1 1 10 10 GLN N N 15 121.42 0.30 . 1 . . . A 373 GLN N . 18535 1 91 . 1 1 11 11 LEU H H 1 8.38 0.02 . 1 . . . A 374 LEU H . 18535 1 92 . 1 1 11 11 LEU HA H 1 4.03 0.02 . 1 . . . A 374 LEU HA . 18535 1 93 . 1 1 11 11 LEU HB2 H 1 1.43 0.02 . 2 . . . A 374 LEU HB2 . 18535 1 94 . 1 1 11 11 LEU HB3 H 1 1.98 0.02 . 2 . . . A 374 LEU HB3 . 18535 1 95 . 1 1 11 11 LEU HG H 1 1.29 0.02 . 1 . . . A 374 LEU HG . 18535 1 96 . 1 1 11 11 LEU HD11 H 1 0.9 0.02 . 2 . . . A 374 LEU HD11 . 18535 1 97 . 1 1 11 11 LEU HD12 H 1 0.9 0.02 . 2 . . . A 374 LEU HD12 . 18535 1 98 . 1 1 11 11 LEU HD13 H 1 0.9 0.02 . 2 . . . A 374 LEU HD13 . 18535 1 99 . 1 1 11 11 LEU HD21 H 1 0.77 0.02 . 2 . . . A 374 LEU HD21 . 18535 1 100 . 1 1 11 11 LEU HD22 H 1 0.77 0.02 . 2 . . . A 374 LEU HD22 . 18535 1 101 . 1 1 11 11 LEU HD23 H 1 0.77 0.02 . 2 . . . A 374 LEU HD23 . 18535 1 102 . 1 1 11 11 LEU C C 13 178.01 0.30 . 1 . . . A 374 LEU C . 18535 1 103 . 1 1 11 11 LEU CA C 13 58.72 0.30 . 1 . . . A 374 LEU CA . 18535 1 104 . 1 1 11 11 LEU CB C 13 42 0.30 . 1 . . . A 374 LEU CB . 18535 1 105 . 1 1 11 11 LEU CG C 13 28.14 0.30 . 1 . . . A 374 LEU CG . 18535 1 106 . 1 1 11 11 LEU CD1 C 13 26.72 0.30 . 1 . . . A 374 LEU CD1 . 18535 1 107 . 1 1 11 11 LEU CD2 C 13 23.89 0.30 . 1 . . . A 374 LEU CD2 . 18535 1 108 . 1 1 11 11 LEU N N 15 119.83 0.30 . 1 . . . A 374 LEU N . 18535 1 109 . 1 1 12 12 TYR H H 1 7.86 0.02 . 1 . . . A 375 TYR H . 18535 1 110 . 1 1 12 12 TYR HA H 1 3.55 0.02 . 1 . . . A 375 TYR HA . 18535 1 111 . 1 1 12 12 TYR HB2 H 1 3.07 0.02 . 2 . . . A 375 TYR HB2 . 18535 1 112 . 1 1 12 12 TYR HB3 H 1 3.07 0.02 . 2 . . . A 375 TYR HB3 . 18535 1 113 . 1 1 12 12 TYR HD1 H 1 7.17 0.02 . 3 . . . A 375 TYR HD1 . 18535 1 114 . 1 1 12 12 TYR HD2 H 1 7.17 0.02 . 3 . . . A 375 TYR HD2 . 18535 1 115 . 1 1 12 12 TYR HE1 H 1 7.04 0.02 . 3 . . . A 375 TYR HE1 . 18535 1 116 . 1 1 12 12 TYR HE2 H 1 7.04 0.02 . 3 . . . A 375 TYR HE2 . 18535 1 117 . 1 1 12 12 TYR C C 13 178.64 0.30 . 1 . . . A 375 TYR C . 18535 1 118 . 1 1 12 12 TYR CA C 13 62.43 0.30 . 1 . . . A 375 TYR CA . 18535 1 119 . 1 1 12 12 TYR CB C 13 38.09 0.30 . 1 . . . A 375 TYR CB . 18535 1 120 . 1 1 12 12 TYR N N 15 118.1 0.30 . 1 . . . A 375 TYR N . 18535 1 121 . 1 1 13 13 SER H H 1 8.45 0.02 . 1 . . . A 376 SER H . 18535 1 122 . 1 1 13 13 SER HA H 1 4.24 0.02 . 1 . . . A 376 SER HA . 18535 1 123 . 1 1 13 13 SER HB2 H 1 4.04 0.02 . 2 . . . A 376 SER HB2 . 18535 1 124 . 1 1 13 13 SER HB3 H 1 4.04 0.02 . 2 . . . A 376 SER HB3 . 18535 1 125 . 1 1 13 13 SER C C 13 175.73 0.30 . 1 . . . A 376 SER C . 18535 1 126 . 1 1 13 13 SER CA C 13 61.56 0.30 . 1 . . . A 376 SER CA . 18535 1 127 . 1 1 13 13 SER CB C 13 62.85 0.30 . 1 . . . A 376 SER CB . 18535 1 128 . 1 1 13 13 SER N N 15 114.88 0.30 . 1 . . . A 376 SER N . 18535 1 129 . 1 1 14 14 LEU H H 1 7.54 0.02 . 1 . . . A 377 LEU H . 18535 1 130 . 1 1 14 14 LEU HA H 1 4.31 0.02 . 1 . . . A 377 LEU HA . 18535 1 131 . 1 1 14 14 LEU HB2 H 1 1.48 0.02 . 2 . . . A 377 LEU HB2 . 18535 1 132 . 1 1 14 14 LEU HB3 H 1 1.88 0.02 . 2 . . . A 377 LEU HB3 . 18535 1 133 . 1 1 14 14 LEU HG H 1 1.49 0.02 . 1 . . . A 377 LEU HG . 18535 1 134 . 1 1 14 14 LEU HD11 H 1 0.89 0.02 . 2 . . . A 377 LEU HD11 . 18535 1 135 . 1 1 14 14 LEU HD12 H 1 0.89 0.02 . 2 . . . A 377 LEU HD12 . 18535 1 136 . 1 1 14 14 LEU HD13 H 1 0.89 0.02 . 2 . . . A 377 LEU HD13 . 18535 1 137 . 1 1 14 14 LEU C C 13 178.48 0.30 . 1 . . . A 377 LEU C . 18535 1 138 . 1 1 14 14 LEU CA C 13 57.29 0.30 . 1 . . . A 377 LEU CA . 18535 1 139 . 1 1 14 14 LEU CB C 13 41.65 0.30 . 1 . . . A 377 LEU CB . 18535 1 140 . 1 1 14 14 LEU CG C 13 26.85 0.30 . 1 . . . A 377 LEU CG . 18535 1 141 . 1 1 14 14 LEU CD1 C 13 25.99 0.30 . 1 . . . A 377 LEU CD1 . 18535 1 142 . 1 1 14 14 LEU CD2 C 13 23.27 0.30 . 1 . . . A 377 LEU CD2 . 18535 1 143 . 1 1 14 14 LEU N N 15 120.78 0.30 . 1 . . . A 377 LEU N . 18535 1 144 . 1 1 15 15 ILE H H 1 7.43 0.02 . 1 . . . A 378 ILE H . 18535 1 145 . 1 1 15 15 ILE HA H 1 4.55 0.02 . 1 . . . A 378 ILE HA . 18535 1 146 . 1 1 15 15 ILE HB H 1 2.05 0.02 . 1 . . . A 378 ILE HB . 18535 1 147 . 1 1 15 15 ILE HG12 H 1 0.75 0.02 . 9 . . . A 378 ILE HG12 . 18535 1 148 . 1 1 15 15 ILE HG13 H 1 0.92 0.02 . 9 . . . A 378 ILE HG13 . 18535 1 149 . 1 1 15 15 ILE HG21 H 1 0.9 0.02 . 1 . . . A 378 ILE HG21 . 18535 1 150 . 1 1 15 15 ILE HG22 H 1 0.9 0.02 . 1 . . . A 378 ILE HG22 . 18535 1 151 . 1 1 15 15 ILE HG23 H 1 0.9 0.02 . 1 . . . A 378 ILE HG23 . 18535 1 152 . 1 1 15 15 ILE HD11 H 1 0.45 0.02 . 1 . . . A 378 ILE HD11 . 18535 1 153 . 1 1 15 15 ILE HD12 H 1 0.45 0.02 . 1 . . . A 378 ILE HD12 . 18535 1 154 . 1 1 15 15 ILE HD13 H 1 0.45 0.02 . 1 . . . A 378 ILE HD13 . 18535 1 155 . 1 1 15 15 ILE C C 13 174.8 0.30 . 1 . . . A 378 ILE C . 18535 1 156 . 1 1 15 15 ILE CA C 13 60.65 0.30 . 1 . . . A 378 ILE CA . 18535 1 157 . 1 1 15 15 ILE CB C 13 41.06 0.30 . 1 . . . A 378 ILE CB . 18535 1 158 . 1 1 15 15 ILE CG1 C 13 25.01 0.30 . 1 . . . A 378 ILE CG1 . 18535 1 159 . 1 1 15 15 ILE CG2 C 13 19.08 0.30 . 1 . . . A 378 ILE CG2 . 18535 1 160 . 1 1 15 15 ILE CD1 C 13 14.93 0.30 . 1 . . . A 378 ILE CD1 . 18535 1 161 . 1 1 15 15 ILE N N 15 106.34 0.30 . 1 . . . A 378 ILE N . 18535 1 162 . 1 1 16 16 GLY H H 1 8.21 0.02 . 1 . . . A 379 GLY H . 18535 1 163 . 1 1 16 16 GLY HA2 H 1 2.3 0.02 . 2 . . . A 379 GLY HA2 . 18535 1 164 . 1 1 16 16 GLY HA3 H 1 3.2 0.02 . 2 . . . A 379 GLY HA3 . 18535 1 165 . 1 1 16 16 GLY C C 13 173.71 0.30 . 1 . . . A 379 GLY C . 18535 1 166 . 1 1 16 16 GLY CA C 13 45.81 0.30 . 1 . . . A 379 GLY CA . 18535 1 167 . 1 1 16 16 GLY N N 15 108.4 0.30 . 1 . . . A 379 GLY N . 18535 1 168 . 1 1 17 17 TYR H H 1 6.68 0.02 . 1 . . . A 380 TYR H . 18535 1 169 . 1 1 17 17 TYR HA H 1 4.65 0.02 . 1 . . . A 380 TYR HA . 18535 1 170 . 1 1 17 17 TYR HB2 H 1 3.08 0.02 . 2 . . . A 380 TYR HB2 . 18535 1 171 . 1 1 17 17 TYR HB3 H 1 3.28 0.02 . 2 . . . A 380 TYR HB3 . 18535 1 172 . 1 1 17 17 TYR HD1 H 1 7.17 0.02 . 3 . . . A 380 TYR HD1 . 18535 1 173 . 1 1 17 17 TYR HD2 H 1 7.17 0.02 . 3 . . . A 380 TYR HD2 . 18535 1 174 . 1 1 17 17 TYR CA C 13 56.49 0.30 . 1 . . . A 380 TYR CA . 18535 1 175 . 1 1 17 17 TYR CB C 13 38.09 0.30 . 1 . . . A 380 TYR CB . 18535 1 176 . 1 1 17 17 TYR N N 15 115.48 0.30 . 1 . . . A 380 TYR N . 18535 1 177 . 1 1 18 18 ALA C C 13 180.6 0.30 . 1 . . . A 381 ALA C . 18535 1 178 . 1 1 18 18 ALA CA C 13 57.1 0.30 . 1 . . . A 381 ALA CA . 18535 1 179 . 1 1 18 18 ALA CB C 13 18.23 0.30 . 1 . . . A 381 ALA CB . 18535 1 180 . 1 1 19 19 SER H H 1 8.66 0.02 . 1 . . . A 382 SER H . 18535 1 181 . 1 1 19 19 SER C C 13 174.27 0.30 . 1 . . . A 382 SER C . 18535 1 182 . 1 1 19 19 SER CA C 13 60.1 0.30 . 1 . . . A 382 SER CA . 18535 1 183 . 1 1 19 19 SER CB C 13 62.48 0.30 . 1 . . . A 382 SER CB . 18535 1 184 . 1 1 19 19 SER N N 15 110.81 0.30 . 1 . . . A 382 SER N . 18535 1 185 . 1 1 20 20 LEU H H 1 6.85 0.02 . 1 . . . A 383 LEU H . 18535 1 186 . 1 1 20 20 LEU HA H 1 3.78 0.02 . 1 . . . A 383 LEU HA . 18535 1 187 . 1 1 20 20 LEU HB2 H 1 1.35 0.02 . 2 . . . A 383 LEU HB2 . 18535 1 188 . 1 1 20 20 LEU HB3 H 1 1.35 0.02 . 2 . . . A 383 LEU HB3 . 18535 1 189 . 1 1 20 20 LEU HD11 H 1 0.84 0.02 . 2 . . . A 383 LEU HD11 . 18535 1 190 . 1 1 20 20 LEU HD12 H 1 0.84 0.02 . 2 . . . A 383 LEU HD12 . 18535 1 191 . 1 1 20 20 LEU HD13 H 1 0.84 0.02 . 2 . . . A 383 LEU HD13 . 18535 1 192 . 1 1 20 20 LEU HD21 H 1 0.65 0.02 . 2 . . . A 383 LEU HD21 . 18535 1 193 . 1 1 20 20 LEU HD22 H 1 0.65 0.02 . 2 . . . A 383 LEU HD22 . 18535 1 194 . 1 1 20 20 LEU HD23 H 1 0.65 0.02 . 2 . . . A 383 LEU HD23 . 18535 1 195 . 1 1 20 20 LEU C C 13 176.42 0.30 . 1 . . . A 383 LEU C . 18535 1 196 . 1 1 20 20 LEU CA C 13 55.81 0.30 . 1 . . . A 383 LEU CA . 18535 1 197 . 1 1 20 20 LEU CB C 13 41.35 0.30 . 1 . . . A 383 LEU CB . 18535 1 198 . 1 1 20 20 LEU CG C 13 26.45 0.30 . 1 . . . A 383 LEU CG . 18535 1 199 . 1 1 20 20 LEU CD1 C 13 19.58 0.30 . 1 . . . A 383 LEU CD1 . 18535 1 200 . 1 1 20 20 LEU CD2 C 13 22.65 0.30 . 1 . . . A 383 LEU CD2 . 18535 1 201 . 1 1 20 20 LEU N N 15 124.27 0.30 . 1 . . . A 383 LEU N . 18535 1 202 . 1 1 21 21 ARG H H 1 7.52 0.02 . 1 . . . A 384 ARG H . 18535 1 203 . 1 1 21 21 ARG HA H 1 3.8 0.02 . 1 . . . A 384 ARG HA . 18535 1 204 . 1 1 21 21 ARG HB2 H 1 1.35 0.02 . 2 . . . A 384 ARG HB2 . 18535 1 205 . 1 1 21 21 ARG HB3 H 1 1.49 0.02 . 2 . . . A 384 ARG HB3 . 18535 1 206 . 1 1 21 21 ARG HD2 H 1 3.1 0.02 . 2 . . . A 384 ARG HD2 . 18535 1 207 . 1 1 21 21 ARG HD3 H 1 3.1 0.02 . 2 . . . A 384 ARG HD3 . 18535 1 208 . 1 1 21 21 ARG C C 13 174.87 0.30 . 1 . . . A 384 ARG C . 18535 1 209 . 1 1 21 21 ARG CA C 13 56.52 0.30 . 1 . . . A 384 ARG CA . 18535 1 210 . 1 1 21 21 ARG CB C 13 27.49 0.30 . 1 . . . A 384 ARG CB . 18535 1 211 . 1 1 21 21 ARG CD C 13 43.53 0.30 . 1 . . . A 384 ARG CD . 18535 1 212 . 1 1 21 21 ARG N N 15 113.91 0.30 . 1 . . . A 384 ARG N . 18535 1 213 . 1 1 22 22 LEU H H 1 8.45 0.02 . 1 . . . A 385 LEU H . 18535 1 214 . 1 1 22 22 LEU HA H 1 4.73 0.02 . 1 . . . A 385 LEU HA . 18535 1 215 . 1 1 22 22 LEU HB2 H 1 1.27 0.02 . 2 . . . A 385 LEU HB2 . 18535 1 216 . 1 1 22 22 LEU HB3 H 1 1.7 0.02 . 2 . . . A 385 LEU HB3 . 18535 1 217 . 1 1 22 22 LEU HD11 H 1 0.65 0.02 . 2 . . . A 385 LEU HD11 . 18535 1 218 . 1 1 22 22 LEU HD12 H 1 0.65 0.02 . 2 . . . A 385 LEU HD12 . 18535 1 219 . 1 1 22 22 LEU HD13 H 1 0.65 0.02 . 2 . . . A 385 LEU HD13 . 18535 1 220 . 1 1 22 22 LEU HD21 H 1 0.52 0.02 . 2 . . . A 385 LEU HD21 . 18535 1 221 . 1 1 22 22 LEU HD22 H 1 0.52 0.02 . 2 . . . A 385 LEU HD22 . 18535 1 222 . 1 1 22 22 LEU HD23 H 1 0.52 0.02 . 2 . . . A 385 LEU HD23 . 18535 1 223 . 1 1 22 22 LEU C C 13 177.32 0.30 . 1 . . . A 385 LEU C . 18535 1 224 . 1 1 22 22 LEU CA C 13 55.81 0.30 . 1 . . . A 385 LEU CA . 18535 1 225 . 1 1 22 22 LEU CB C 13 42.83 0.30 . 1 . . . A 385 LEU CB . 18535 1 226 . 1 1 22 22 LEU CG C 13 27.42 0.30 . 1 . . . A 385 LEU CG . 18535 1 227 . 1 1 22 22 LEU CD1 C 13 25.89 0.30 . 1 . . . A 385 LEU CD1 . 18535 1 228 . 1 1 22 22 LEU CD2 C 13 25.89 0.30 . 1 . . . A 385 LEU CD2 . 18535 1 229 . 1 1 22 22 LEU N N 15 124.27 0.30 . 1 . . . A 385 LEU N . 18535 1 230 . 1 1 23 23 HIS H H 1 9.5 0.02 . 1 . . . A 386 HIS H . 18535 1 231 . 1 1 23 23 HIS HA H 1 4.86 0.02 . 1 . . . A 386 HIS HA . 18535 1 232 . 1 1 23 23 HIS HB2 H 1 3.01 0.02 . 2 . . . A 386 HIS HB2 . 18535 1 233 . 1 1 23 23 HIS HB3 H 1 3.13 0.02 . 2 . . . A 386 HIS HB3 . 18535 1 234 . 1 1 23 23 HIS HD1 H 1 6.74 0.02 . 1 . . . A 386 HIS HD1 . 18535 1 235 . 1 1 23 23 HIS C C 13 170.39 0.30 . 1 . . . A 386 HIS C . 18535 1 236 . 1 1 23 23 HIS CA C 13 55.44 0.30 . 1 . . . A 386 HIS CA . 18535 1 237 . 1 1 23 23 HIS CB C 13 30.37 0.30 . 1 . . . A 386 HIS CB . 18535 1 238 . 1 1 23 23 HIS N N 15 125.85 0.30 . 1 . . . A 386 HIS N . 18535 1 239 . 1 1 24 24 TYR H H 1 8.59 0.02 . 1 . . . A 387 TYR H . 18535 1 240 . 1 1 24 24 TYR HA H 1 5.08 0.02 . 1 . . . A 387 TYR HA . 18535 1 241 . 1 1 24 24 TYR HB2 H 1 2.55 0.02 . 2 . . . A 387 TYR HB2 . 18535 1 242 . 1 1 24 24 TYR HB3 H 1 2.72 0.02 . 2 . . . A 387 TYR HB3 . 18535 1 243 . 1 1 24 24 TYR HD1 H 1 6.9 0.02 . 3 . . . A 387 TYR HD1 . 18535 1 244 . 1 1 24 24 TYR HD2 H 1 6.9 0.02 . 3 . . . A 387 TYR HD2 . 18535 1 245 . 1 1 24 24 TYR HE1 H 1 6.64 0.02 . 3 . . . A 387 TYR HE1 . 18535 1 246 . 1 1 24 24 TYR HE2 H 1 6.64 0.02 . 3 . . . A 387 TYR HE2 . 18535 1 247 . 1 1 24 24 TYR C C 13 176.12 0.30 . 1 . . . A 387 TYR C . 18535 1 248 . 1 1 24 24 TYR CA C 13 57.24 0.30 . 1 . . . A 387 TYR CA . 18535 1 249 . 1 1 24 24 TYR CB C 13 39.28 0.30 . 1 . . . A 387 TYR CB . 18535 1 250 . 1 1 24 24 TYR N N 15 118.86 0.30 . 1 . . . A 387 TYR N . 18535 1 251 . 1 1 25 25 VAL H H 1 9.24 0.02 . 1 . . . A 388 VAL H . 18535 1 252 . 1 1 25 25 VAL HA H 1 4.32 0.02 . 1 . . . A 388 VAL HA . 18535 1 253 . 1 1 25 25 VAL HB H 1 1.74 0.02 . 1 . . . A 388 VAL HB . 18535 1 254 . 1 1 25 25 VAL HG11 H 1 0.91 0.02 . 2 . . . A 388 VAL HG11 . 18535 1 255 . 1 1 25 25 VAL HG12 H 1 0.91 0.02 . 2 . . . A 388 VAL HG12 . 18535 1 256 . 1 1 25 25 VAL HG13 H 1 0.91 0.02 . 2 . . . A 388 VAL HG13 . 18535 1 257 . 1 1 25 25 VAL HG21 H 1 0.82 0.02 . 2 . . . A 388 VAL HG21 . 18535 1 258 . 1 1 25 25 VAL HG22 H 1 0.82 0.02 . 2 . . . A 388 VAL HG22 . 18535 1 259 . 1 1 25 25 VAL HG23 H 1 0.82 0.02 . 2 . . . A 388 VAL HG23 . 18535 1 260 . 1 1 25 25 VAL C C 13 175.1 0.30 . 1 . . . A 388 VAL C . 18535 1 261 . 1 1 25 25 VAL CA C 13 61.03 0.30 . 1 . . . A 388 VAL CA . 18535 1 262 . 1 1 25 25 VAL CB C 13 35.73 0.30 . 1 . . . A 388 VAL CB . 18535 1 263 . 1 1 25 25 VAL CG1 C 13 22.39 0.30 . 1 . . . A 388 VAL CG1 . 18535 1 264 . 1 1 25 25 VAL CG2 C 13 20.68 0.30 . 1 . . . A 388 VAL CG2 . 18535 1 265 . 1 1 25 25 VAL N N 15 124.73 0.30 . 1 . . . A 388 VAL N . 18535 1 266 . 1 1 26 26 THR H H 1 9.17 0.02 . 1 . . . A 389 THR H . 18535 1 267 . 1 1 26 26 THR HA H 1 4.32 0.02 . 1 . . . A 389 THR HA . 18535 1 268 . 1 1 26 26 THR HB H 1 4.12 0.02 . 1 . . . A 389 THR HB . 18535 1 269 . 1 1 26 26 THR HG21 H 1 1.04 0.02 . 1 . . . A 389 THR HG21 . 18535 1 270 . 1 1 26 26 THR HG22 H 1 1.04 0.02 . 1 . . . A 389 THR HG22 . 18535 1 271 . 1 1 26 26 THR HG23 H 1 1.04 0.02 . 1 . . . A 389 THR HG23 . 18535 1 272 . 1 1 26 26 THR C C 13 174.2 0.30 . 1 . . . A 389 THR C . 18535 1 273 . 1 1 26 26 THR CA C 13 62.91 0.30 . 1 . . . A 389 THR CA . 18535 1 274 . 1 1 26 26 THR CB C 13 67.86 0.30 . 1 . . . A 389 THR CB . 18535 1 275 . 1 1 26 26 THR CG2 C 13 23.24 0.30 . 1 . . . A 389 THR CG2 . 18535 1 276 . 1 1 26 26 THR N N 15 126.44 0.30 . 1 . . . A 389 THR N . 18535 1 277 . 1 1 27 27 VAL H H 1 8.64 0.02 . 1 . . . A 390 VAL H . 18535 1 278 . 1 1 27 27 VAL HA H 1 4.15 0.02 . 1 . . . A 390 VAL HA . 18535 1 279 . 1 1 27 27 VAL HB H 1 1.95 0.02 . 1 . . . A 390 VAL HB . 18535 1 280 . 1 1 27 27 VAL HG11 H 1 0.76 0.02 . 2 . . . A 390 VAL HG11 . 18535 1 281 . 1 1 27 27 VAL HG12 H 1 0.76 0.02 . 2 . . . A 390 VAL HG12 . 18535 1 282 . 1 1 27 27 VAL HG13 H 1 0.76 0.02 . 2 . . . A 390 VAL HG13 . 18535 1 283 . 1 1 27 27 VAL HG21 H 1 0.76 0.02 . 2 . . . A 390 VAL HG21 . 18535 1 284 . 1 1 27 27 VAL HG22 H 1 0.76 0.02 . 2 . . . A 390 VAL HG22 . 18535 1 285 . 1 1 27 27 VAL HG23 H 1 0.76 0.02 . 2 . . . A 390 VAL HG23 . 18535 1 286 . 1 1 27 27 VAL C C 13 175.79 0.30 . 1 . . . A 390 VAL C . 18535 1 287 . 1 1 27 27 VAL CA C 13 62.6 0.30 . 1 . . . A 390 VAL CA . 18535 1 288 . 1 1 27 27 VAL CB C 13 32.33 0.30 . 1 . . . A 390 VAL CB . 18535 1 289 . 1 1 27 27 VAL CG1 C 13 20.58 0.30 . 1 . . . A 390 VAL CG1 . 18535 1 290 . 1 1 27 27 VAL CG2 C 13 20.58 0.30 . 1 . . . A 390 VAL CG2 . 18535 1 291 . 1 1 27 27 VAL N N 15 127.28 0.30 . 1 . . . A 390 VAL N . 18535 1 292 . 1 1 28 28 LYS H H 1 7.79 0.02 . 1 . . . A 391 LYS H . 18535 1 293 . 1 1 28 28 LYS HA H 1 4.54 0.02 . 1 . . . A 391 LYS HA . 18535 1 294 . 1 1 28 28 LYS HB2 H 1 1.46 0.02 . 2 . . . A 391 LYS HB2 . 18535 1 295 . 1 1 28 28 LYS HB3 H 1 1.81 0.02 . 2 . . . A 391 LYS HB3 . 18535 1 296 . 1 1 28 28 LYS HG2 H 1 1.47 0.02 . 2 . . . A 391 LYS HG2 . 18535 1 297 . 1 1 28 28 LYS HG3 H 1 1.47 0.02 . 2 . . . A 391 LYS HG3 . 18535 1 298 . 1 1 28 28 LYS HE2 H 1 2.98 0.02 . 2 . . . A 391 LYS HE2 . 18535 1 299 . 1 1 28 28 LYS HE3 H 1 2.98 0.02 . 2 . . . A 391 LYS HE3 . 18535 1 300 . 1 1 28 28 LYS C C 13 174.53 0.30 . 1 . . . A 391 LYS C . 18535 1 301 . 1 1 28 28 LYS CA C 13 56.5 0.30 . 1 . . . A 391 LYS CA . 18535 1 302 . 1 1 28 28 LYS CB C 13 35.73 0.30 . 1 . . . A 391 LYS CB . 18535 1 303 . 1 1 28 28 LYS CG C 13 24.69 0.30 . 1 . . . A 391 LYS CG . 18535 1 304 . 1 1 28 28 LYS CD C 13 29.08 0.30 . 1 . . . A 391 LYS CD . 18535 1 305 . 1 1 28 28 LYS CE C 13 42.24 0.30 . 1 . . . A 391 LYS CE . 18535 1 306 . 1 1 28 28 LYS N N 15 121.76 0.30 . 1 . . . A 391 LYS N . 18535 1 307 . 1 1 29 29 LYS H H 1 8.67 0.02 . 1 . . . A 392 LYS H . 18535 1 308 . 1 1 29 29 LYS HA H 1 4.54 0.02 . 1 . . . A 392 LYS HA . 18535 1 309 . 1 1 29 29 LYS HB2 H 1 1.65 0.02 . 2 . . . A 392 LYS HB2 . 18535 1 310 . 1 1 29 29 LYS HB3 H 1 1.87 0.02 . 2 . . . A 392 LYS HB3 . 18535 1 311 . 1 1 29 29 LYS HG2 H 1 1.47 0.02 . 2 . . . A 392 LYS HG2 . 18535 1 312 . 1 1 29 29 LYS HG3 H 1 1.47 0.02 . 2 . . . A 392 LYS HG3 . 18535 1 313 . 1 1 29 29 LYS HD2 H 1 1.64 0.02 . 2 . . . A 392 LYS HD2 . 18535 1 314 . 1 1 29 29 LYS HD3 H 1 1.64 0.02 . 2 . . . A 392 LYS HD3 . 18535 1 315 . 1 1 29 29 LYS HE2 H 1 2.98 0.02 . 2 . . . A 392 LYS HE2 . 18535 1 316 . 1 1 29 29 LYS HE3 H 1 2.98 0.02 . 2 . . . A 392 LYS HE3 . 18535 1 317 . 1 1 29 29 LYS CA C 13 54.33 0.30 . 1 . . . A 392 LYS CA . 18535 1 318 . 1 1 29 29 LYS CB C 13 32.27 0.30 . 1 . . . A 392 LYS CB . 18535 1 319 . 1 1 29 29 LYS N N 15 127.76 0.30 . 1 . . . A 392 LYS N . 18535 1 320 . 1 1 30 30 PRO C C 13 176.52 0.30 . 1 . . . A 393 PRO C . 18535 1 321 . 1 1 30 30 PRO CA C 13 63.3 0.30 . 1 . . . A 393 PRO CA . 18535 1 322 . 1 1 30 30 PRO CB C 13 32.44 0.30 . 1 . . . A 393 PRO CB . 18535 1 323 . 1 1 30 30 PRO CG C 13 27.45 0.30 . 1 . . . A 393 PRO CG . 18535 1 324 . 1 1 30 30 PRO CD C 13 50.16 0.30 . 1 . . . A 393 PRO CD . 18535 1 325 . 1 1 31 31 THR H H 1 8.28 0.02 . 1 . . . A 394 THR H . 18535 1 326 . 1 1 31 31 THR HA H 1 4.66 0.02 . 1 . . . A 394 THR HA . 18535 1 327 . 1 1 31 31 THR HB H 1 4.44 0.02 . 1 . . . A 394 THR HB . 18535 1 328 . 1 1 31 31 THR HG21 H 1 1.22 0.02 . 1 . . . A 394 THR HG21 . 18535 1 329 . 1 1 31 31 THR HG22 H 1 1.22 0.02 . 1 . . . A 394 THR HG22 . 18535 1 330 . 1 1 31 31 THR HG23 H 1 1.22 0.02 . 1 . . . A 394 THR HG23 . 18535 1 331 . 1 1 31 31 THR C C 13 175.03 0.30 . 1 . . . A 394 THR C . 18535 1 332 . 1 1 31 31 THR CA C 13 59.52 0.30 . 1 . . . A 394 THR CA . 18535 1 333 . 1 1 31 31 THR CB C 13 72.59 0.30 . 1 . . . A 394 THR CB . 18535 1 334 . 1 1 31 31 THR CG2 C 13 21.69 0.30 . 1 . . . A 394 THR CG2 . 18535 1 335 . 1 1 31 31 THR N N 15 113.26 0.30 . 1 . . . A 394 THR N . 18535 1 336 . 1 1 32 32 ALA H H 1 8.58 0.02 . 1 . . . A 395 ALA H . 18535 1 337 . 1 1 32 32 ALA HA H 1 4.7 0.02 . 1 . . . A 395 ALA HA . 18535 1 338 . 1 1 32 32 ALA HB1 H 1 1.41 0.02 . 1 . . . A 395 ALA HB1 . 18535 1 339 . 1 1 32 32 ALA HB2 H 1 1.41 0.02 . 1 . . . A 395 ALA HB2 . 18535 1 340 . 1 1 32 32 ALA HB3 H 1 1.41 0.02 . 1 . . . A 395 ALA HB3 . 18535 1 341 . 1 1 32 32 ALA C C 13 179.47 0.30 . 1 . . . A 395 ALA C . 18535 1 342 . 1 1 32 32 ALA CA C 13 54.78 0.30 . 1 . . . A 395 ALA CA . 18535 1 343 . 1 1 32 32 ALA CB C 13 18.55 0.30 . 1 . . . A 395 ALA CB . 18535 1 344 . 1 1 32 32 ALA N N 15 121.36 0.30 . 1 . . . A 395 ALA N . 18535 1 345 . 1 1 33 33 VAL H H 1 7.31 0.02 . 1 . . . A 396 VAL H . 18535 1 346 . 1 1 33 33 VAL HA H 1 4.08 0.02 . 1 . . . A 396 VAL HA . 18535 1 347 . 1 1 33 33 VAL HB H 1 2.07 0.02 . 1 . . . A 396 VAL HB . 18535 1 348 . 1 1 33 33 VAL HG11 H 1 0.88 0.02 . 2 . . . A 396 VAL HG11 . 18535 1 349 . 1 1 33 33 VAL HG12 H 1 0.88 0.02 . 2 . . . A 396 VAL HG12 . 18535 1 350 . 1 1 33 33 VAL HG13 H 1 0.88 0.02 . 2 . . . A 396 VAL HG13 . 18535 1 351 . 1 1 33 33 VAL HG21 H 1 0.88 0.02 . 2 . . . A 396 VAL HG21 . 18535 1 352 . 1 1 33 33 VAL HG22 H 1 0.88 0.02 . 2 . . . A 396 VAL HG22 . 18535 1 353 . 1 1 33 33 VAL HG23 H 1 0.88 0.02 . 2 . . . A 396 VAL HG23 . 18535 1 354 . 1 1 33 33 VAL C C 13 177.52 0.30 . 1 . . . A 396 VAL C . 18535 1 355 . 1 1 33 33 VAL CA C 13 62.4 0.30 . 1 . . . A 396 VAL CA . 18535 1 356 . 1 1 33 33 VAL CB C 13 32.45 0.30 . 1 . . . A 396 VAL CB . 18535 1 357 . 1 1 33 33 VAL CG1 C 13 20.64 0.30 . 1 . . . A 396 VAL CG1 . 18535 1 358 . 1 1 33 33 VAL CG2 C 13 20.64 0.30 . 1 . . . A 396 VAL CG2 . 18535 1 359 . 1 1 33 33 VAL N N 15 109.71 0.30 . 1 . . . A 396 VAL N . 18535 1 360 . 1 1 34 34 ASP H H 1 7.26 0.02 . 1 . . . A 397 ASP H . 18535 1 361 . 1 1 34 34 ASP HA H 1 5 0.02 . 1 . . . A 397 ASP HA . 18535 1 362 . 1 1 34 34 ASP HB2 H 1 2.44 0.02 . 2 . . . A 397 ASP HB2 . 18535 1 363 . 1 1 34 34 ASP HB3 H 1 2.7 0.02 . 2 . . . A 397 ASP HB3 . 18535 1 364 . 1 1 34 34 ASP CA C 13 52.1 0.30 . 1 . . . A 397 ASP CA . 18535 1 365 . 1 1 34 34 ASP CB C 13 41.54 0.30 . 1 . . . A 397 ASP CB . 18535 1 366 . 1 1 34 34 ASP N N 15 119.2 0.30 . 1 . . . A 397 ASP N . 18535 1 367 . 1 1 35 35 PRO C C 13 175.03 0.30 . 1 . . . A 398 PRO C . 18535 1 368 . 1 1 35 35 PRO CA C 13 63.3 0.30 . 1 . . . A 398 PRO CA . 18535 1 369 . 1 1 35 35 PRO CB C 13 31.36 0.30 . 1 . . . A 398 PRO CB . 18535 1 370 . 1 1 35 35 PRO CG C 13 26.37 0.30 . 1 . . . A 398 PRO CG . 18535 1 371 . 1 1 35 35 PRO CD C 13 50.6 0.30 . 1 . . . A 398 PRO CD . 18535 1 372 . 1 1 36 36 ASN H H 1 7.99 0.02 . 1 . . . A 399 ASN H . 18535 1 373 . 1 1 36 36 ASN HA H 1 4.65 0.02 . 1 . . . A 399 ASN HA . 18535 1 374 . 1 1 36 36 ASN HB2 H 1 2.27 0.02 . 2 . . . A 399 ASN HB2 . 18535 1 375 . 1 1 36 36 ASN HB3 H 1 2.63 0.02 . 2 . . . A 399 ASN HB3 . 18535 1 376 . 1 1 36 36 ASN C C 13 174.14 0.30 . 1 . . . A 399 ASN C . 18535 1 377 . 1 1 36 36 ASN CA C 13 54.11 0.30 . 1 . . . A 399 ASN CA . 18535 1 378 . 1 1 36 36 ASN CB C 13 40.76 0.30 . 1 . . . A 399 ASN CB . 18535 1 379 . 1 1 36 36 ASN N N 15 118.24 0.30 . 1 . . . A 399 ASN N . 18535 1 380 . 1 1 37 37 SER H H 1 8.71 0.02 . 1 . . . A 400 SER H . 18535 1 381 . 1 1 37 37 SER HA H 1 4.7 0.02 . 1 . . . A 400 SER HA . 18535 1 382 . 1 1 37 37 SER HB2 H 1 3.37 0.02 . 2 . . . A 400 SER HB2 . 18535 1 383 . 1 1 37 37 SER HB3 H 1 3.37 0.02 . 2 . . . A 400 SER HB3 . 18535 1 384 . 1 1 37 37 SER C C 13 172.78 0.30 . 1 . . . A 400 SER C . 18535 1 385 . 1 1 37 37 SER CA C 13 56.48 0.30 . 1 . . . A 400 SER CA . 18535 1 386 . 1 1 37 37 SER CB C 13 65.72 0.30 . 1 . . . A 400 SER CB . 18535 1 387 . 1 1 37 37 SER N N 15 115.38 0.30 . 1 . . . A 400 SER N . 18535 1 388 . 1 1 38 38 ILE H H 1 8.22 0.02 . 1 . . . A 401 ILE H . 18535 1 389 . 1 1 38 38 ILE HA H 1 5.11 0.02 . 1 . . . A 401 ILE HA . 18535 1 390 . 1 1 38 38 ILE HB H 1 1.46 0.02 . 1 . . . A 401 ILE HB . 18535 1 391 . 1 1 38 38 ILE HG12 H 1 1.02 0.02 . 9 . . . A 401 ILE HG12 . 18535 1 392 . 1 1 38 38 ILE HG21 H 1 0.75 0.02 . 1 . . . A 401 ILE HG21 . 18535 1 393 . 1 1 38 38 ILE HG22 H 1 0.75 0.02 . 1 . . . A 401 ILE HG22 . 18535 1 394 . 1 1 38 38 ILE HG23 H 1 0.75 0.02 . 1 . . . A 401 ILE HG23 . 18535 1 395 . 1 1 38 38 ILE C C 13 175.59 0.30 . 1 . . . A 401 ILE C . 18535 1 396 . 1 1 38 38 ILE CA C 13 60.77 0.30 . 1 . . . A 401 ILE CA . 18535 1 397 . 1 1 38 38 ILE CB C 13 40.68 0.30 . 1 . . . A 401 ILE CB . 18535 1 398 . 1 1 38 38 ILE CG1 C 13 26.74 0.30 . 1 . . . A 401 ILE CG1 . 18535 1 399 . 1 1 38 38 ILE CG2 C 13 16.86 0.30 . 1 . . . A 401 ILE CG2 . 18535 1 400 . 1 1 38 38 ILE CD1 C 13 13.22 0.30 . 1 . . . A 401 ILE CD1 . 18535 1 401 . 1 1 38 38 ILE N N 15 120.82 0.30 . 1 . . . A 401 ILE N . 18535 1 402 . 1 1 39 39 VAL H H 1 9.06 0.02 . 1 . . . A 402 VAL H . 18535 1 403 . 1 1 39 39 VAL HA H 1 4.98 0.02 . 1 . . . A 402 VAL HA . 18535 1 404 . 1 1 39 39 VAL HB H 1 1.43 0.02 . 1 . . . A 402 VAL HB . 18535 1 405 . 1 1 39 39 VAL HG11 H 1 0.97 0.02 . 2 . . . A 402 VAL HG11 . 18535 1 406 . 1 1 39 39 VAL HG12 H 1 0.97 0.02 . 2 . . . A 402 VAL HG12 . 18535 1 407 . 1 1 39 39 VAL HG13 H 1 0.97 0.02 . 2 . . . A 402 VAL HG13 . 18535 1 408 . 1 1 39 39 VAL HG21 H 1 0.97 0.02 . 2 . . . A 402 VAL HG21 . 18535 1 409 . 1 1 39 39 VAL HG22 H 1 0.97 0.02 . 2 . . . A 402 VAL HG22 . 18535 1 410 . 1 1 39 39 VAL HG23 H 1 0.97 0.02 . 2 . . . A 402 VAL HG23 . 18535 1 411 . 1 1 39 39 VAL C C 13 174.34 0.30 . 1 . . . A 402 VAL C . 18535 1 412 . 1 1 39 39 VAL CA C 13 59.96 0.30 . 1 . . . A 402 VAL CA . 18535 1 413 . 1 1 39 39 VAL CB C 13 36.21 0.30 . 1 . . . A 402 VAL CB . 18535 1 414 . 1 1 39 39 VAL CG1 C 13 22.93 0.30 . 1 . . . A 402 VAL CG1 . 18535 1 415 . 1 1 39 39 VAL CG2 C 13 22.93 0.30 . 1 . . . A 402 VAL CG2 . 18535 1 416 . 1 1 39 39 VAL N N 15 128.35 0.30 . 1 . . . A 402 VAL N . 18535 1 417 . 1 1 40 40 GLU H H 1 9.11 0.02 . 1 . . . A 403 GLU H . 18535 1 418 . 1 1 40 40 GLU HA H 1 4.98 0.02 . 1 . . . A 403 GLU HA . 18535 1 419 . 1 1 40 40 GLU HB2 H 1 1.74 0.02 . 2 . . . A 403 GLU HB2 . 18535 1 420 . 1 1 40 40 GLU HB3 H 1 1.74 0.02 . 2 . . . A 403 GLU HB3 . 18535 1 421 . 1 1 40 40 GLU HG2 H 1 2.17 0.02 . 2 . . . A 403 GLU HG2 . 18535 1 422 . 1 1 40 40 GLU HG3 H 1 2.39 0.02 . 2 . . . A 403 GLU HG3 . 18535 1 423 . 1 1 40 40 GLU C C 13 174.83 0.30 . 1 . . . A 403 GLU C . 18535 1 424 . 1 1 40 40 GLU CA C 13 53.82 0.30 . 1 . . . A 403 GLU CA . 18535 1 425 . 1 1 40 40 GLU CB C 13 33.2 0.30 . 1 . . . A 403 GLU CB . 18535 1 426 . 1 1 40 40 GLU CG C 13 36.32 0.30 . 1 . . . A 403 GLU CG . 18535 1 427 . 1 1 40 40 GLU N N 15 123.28 0.30 . 1 . . . A 403 GLU N . 18535 1 428 . 1 1 41 41 CYS H H 1 8.9 0.02 . 1 . . . A 404 CYS H . 18535 1 429 . 1 1 41 41 CYS HA H 1 4.08 0.02 . 1 . . . A 404 CYS HA . 18535 1 430 . 1 1 41 41 CYS HB2 H 1 2.31 0.02 . 2 . . . A 404 CYS HB2 . 18535 1 431 . 1 1 41 41 CYS HB3 H 1 2.31 0.02 . 2 . . . A 404 CYS HB3 . 18535 1 432 . 1 1 41 41 CYS C C 13 173.37 0.30 . 1 . . . A 404 CYS C . 18535 1 433 . 1 1 41 41 CYS CA C 13 57.97 0.30 . 1 . . . A 404 CYS CA . 18535 1 434 . 1 1 41 41 CYS CB C 13 26.89 0.30 . 1 . . . A 404 CYS CB . 18535 1 435 . 1 1 41 41 CYS N N 15 123.78 0.30 . 1 . . . A 404 CYS N . 18535 1 436 . 1 1 42 42 ARG H H 1 8.84 0.02 . 1 . . . A 405 ARG H . 18535 1 437 . 1 1 42 42 ARG HA H 1 5.4 0.02 . 1 . . . A 405 ARG HA . 18535 1 438 . 1 1 42 42 ARG HB2 H 1 0.54 0.02 . 2 . . . A 405 ARG HB2 . 18535 1 439 . 1 1 42 42 ARG HB3 H 1 1.51 0.02 . 2 . . . A 405 ARG HB3 . 18535 1 440 . 1 1 42 42 ARG HD2 H 1 2.99 0.02 . 2 . . . A 405 ARG HD2 . 18535 1 441 . 1 1 42 42 ARG HD3 H 1 2.99 0.02 . 2 . . . A 405 ARG HD3 . 18535 1 442 . 1 1 42 42 ARG C C 13 174.83 0.30 . 1 . . . A 405 ARG C . 18535 1 443 . 1 1 42 42 ARG CA C 13 54.36 0.30 . 1 . . . A 405 ARG CA . 18535 1 444 . 1 1 42 42 ARG CB C 13 35.44 0.30 . 1 . . . A 405 ARG CB . 18535 1 445 . 1 1 42 42 ARG CG C 13 27.82 0.30 . 1 . . . A 405 ARG CG . 18535 1 446 . 1 1 42 42 ARG CD C 13 44.32 0.30 . 1 . . . A 405 ARG CD . 18535 1 447 . 1 1 42 42 ARG N N 15 128.1 0.30 . 1 . . . A 405 ARG N . 18535 1 448 . 1 1 43 43 VAL H H 1 7.68 0.02 . 1 . . . A 406 VAL H . 18535 1 449 . 1 1 43 43 VAL HA H 1 4.77 0.02 . 1 . . . A 406 VAL HA . 18535 1 450 . 1 1 43 43 VAL HB H 1 2.17 0.02 . 1 . . . A 406 VAL HB . 18535 1 451 . 1 1 43 43 VAL HG11 H 1 0.52 0.02 . 2 . . . A 406 VAL HG11 . 18535 1 452 . 1 1 43 43 VAL HG12 H 1 0.52 0.02 . 2 . . . A 406 VAL HG12 . 18535 1 453 . 1 1 43 43 VAL HG13 H 1 0.52 0.02 . 2 . . . A 406 VAL HG13 . 18535 1 454 . 1 1 43 43 VAL HG21 H 1 0.81 0.02 . 2 . . . A 406 VAL HG21 . 18535 1 455 . 1 1 43 43 VAL HG22 H 1 0.81 0.02 . 2 . . . A 406 VAL HG22 . 18535 1 456 . 1 1 43 43 VAL HG23 H 1 0.81 0.02 . 2 . . . A 406 VAL HG23 . 18535 1 457 . 1 1 43 43 VAL C C 13 179.04 0.30 . 1 . . . A 406 VAL C . 18535 1 458 . 1 1 43 43 VAL CA C 13 59.89 0.30 . 1 . . . A 406 VAL CA . 18535 1 459 . 1 1 43 43 VAL CB C 13 33.38 0.30 . 1 . . . A 406 VAL CB . 18535 1 460 . 1 1 43 43 VAL CG1 C 13 23.19 0.30 . 1 . . . A 406 VAL CG1 . 18535 1 461 . 1 1 43 43 VAL CG2 C 13 19.92 0.30 . 1 . . . A 406 VAL CG2 . 18535 1 462 . 1 1 43 43 VAL N N 15 109.23 0.30 . 1 . . . A 406 VAL N . 18535 1 463 . 1 1 44 44 GLY H H 1 8.44 0.02 . 1 . . . A 407 GLY H . 18535 1 464 . 1 1 44 44 GLY HA2 H 1 3.78 0.02 . 2 . . . A 407 GLY HA2 . 18535 1 465 . 1 1 44 44 GLY HA3 H 1 3.98 0.02 . 2 . . . A 407 GLY HA3 . 18535 1 466 . 1 1 44 44 GLY C C 13 174.57 0.30 . 1 . . . A 407 GLY C . 18535 1 467 . 1 1 44 44 GLY CA C 13 48.02 0.30 . 1 . . . A 407 GLY CA . 18535 1 468 . 1 1 44 44 GLY N N 15 108.33 0.30 . 1 . . . A 407 GLY N . 18535 1 469 . 1 1 45 45 ASP H H 1 7.92 0.02 . 1 . . . A 408 ASP H . 18535 1 470 . 1 1 45 45 ASP HA H 1 4.57 0.02 . 1 . . . A 408 ASP HA . 18535 1 471 . 1 1 45 45 ASP HB2 H 1 2.64 0.02 . 2 . . . A 408 ASP HB2 . 18535 1 472 . 1 1 45 45 ASP HB3 H 1 3.07 0.02 . 2 . . . A 408 ASP HB3 . 18535 1 473 . 1 1 45 45 ASP C C 13 176.99 0.30 . 1 . . . A 408 ASP C . 18535 1 474 . 1 1 45 45 ASP CA C 13 54.14 0.30 . 1 . . . A 408 ASP CA . 18535 1 475 . 1 1 45 45 ASP CB C 13 39.68 0.30 . 1 . . . A 408 ASP CB . 18535 1 476 . 1 1 45 45 ASP N N 15 118.58 0.30 . 1 . . . A 408 ASP N . 18535 1 477 . 1 1 46 46 GLY H H 1 8.37 0.02 . 1 . . . A 409 GLY H . 18535 1 478 . 1 1 46 46 GLY HA2 H 1 3.57 0.02 . 2 . . . A 409 GLY HA2 . 18535 1 479 . 1 1 46 46 GLY HA3 H 1 4.37 0.02 . 2 . . . A 409 GLY HA3 . 18535 1 480 . 1 1 46 46 GLY C C 13 174.07 0.30 . 1 . . . A 409 GLY C . 18535 1 481 . 1 1 46 46 GLY CA C 13 44.93 0.30 . 1 . . . A 409 GLY CA . 18535 1 482 . 1 1 46 46 GLY N N 15 108.24 0.30 . 1 . . . A 409 GLY N . 18535 1 483 . 1 1 47 47 THR H H 1 8.09 0.02 . 1 . . . A 410 THR H . 18535 1 484 . 1 1 47 47 THR HA H 1 3.99 0.02 . 1 . . . A 410 THR HA . 18535 1 485 . 1 1 47 47 THR HB H 1 3.81 0.02 . 1 . . . A 410 THR HB . 18535 1 486 . 1 1 47 47 THR HG21 H 1 1.12 0.02 . 1 . . . A 410 THR HG21 . 18535 1 487 . 1 1 47 47 THR HG22 H 1 1.12 0.02 . 1 . . . A 410 THR HG22 . 18535 1 488 . 1 1 47 47 THR HG23 H 1 1.12 0.02 . 1 . . . A 410 THR HG23 . 18535 1 489 . 1 1 47 47 THR C C 13 173.11 0.30 . 1 . . . A 410 THR C . 18535 1 490 . 1 1 47 47 THR CA C 13 65.63 0.30 . 1 . . . A 410 THR CA . 18535 1 491 . 1 1 47 47 THR CB C 13 68.42 0.30 . 1 . . . A 410 THR CB . 18535 1 492 . 1 1 47 47 THR CG2 C 13 21.46 0.30 . 1 . . . A 410 THR CG2 . 18535 1 493 . 1 1 47 47 THR N N 15 119.57 0.30 . 1 . . . A 410 THR N . 18535 1 494 . 1 1 48 48 VAL H H 1 8.46 0.02 . 1 . . . A 411 VAL H . 18535 1 495 . 1 1 48 48 VAL HA H 1 4.02 0.02 . 1 . . . A 411 VAL HA . 18535 1 496 . 1 1 48 48 VAL HB H 1 1.93 0.02 . 1 . . . A 411 VAL HB . 18535 1 497 . 1 1 48 48 VAL HG11 H 1 0.87 0.02 . 2 . . . A 411 VAL HG11 . 18535 1 498 . 1 1 48 48 VAL HG12 H 1 0.87 0.02 . 2 . . . A 411 VAL HG12 . 18535 1 499 . 1 1 48 48 VAL HG13 H 1 0.87 0.02 . 2 . . . A 411 VAL HG13 . 18535 1 500 . 1 1 48 48 VAL HG21 H 1 0.72 0.02 . 2 . . . A 411 VAL HG21 . 18535 1 501 . 1 1 48 48 VAL HG22 H 1 0.72 0.02 . 2 . . . A 411 VAL HG22 . 18535 1 502 . 1 1 48 48 VAL HG23 H 1 0.72 0.02 . 2 . . . A 411 VAL HG23 . 18535 1 503 . 1 1 48 48 VAL C C 13 176.39 0.30 . 1 . . . A 411 VAL C . 18535 1 504 . 1 1 48 48 VAL CA C 13 62.69 0.30 . 1 . . . A 411 VAL CA . 18535 1 505 . 1 1 48 48 VAL CB C 13 32.23 0.30 . 1 . . . A 411 VAL CB . 18535 1 506 . 1 1 48 48 VAL CG1 C 13 21.71 0.30 . 1 . . . A 411 VAL CG1 . 18535 1 507 . 1 1 48 48 VAL CG2 C 13 21.71 0.30 . 1 . . . A 411 VAL CG2 . 18535 1 508 . 1 1 48 48 VAL N N 15 127.04 0.30 . 1 . . . A 411 VAL N . 18535 1 509 . 1 1 49 49 LEU H H 1 9.26 0.02 . 1 . . . A 412 LEU H . 18535 1 510 . 1 1 49 49 LEU HA H 1 4.35 0.02 . 1 . . . A 412 LEU HA . 18535 1 511 . 1 1 49 49 LEU HB2 H 1 1.43 0.02 . 2 . . . A 412 LEU HB2 . 18535 1 512 . 1 1 49 49 LEU HB3 H 1 1.43 0.02 . 2 . . . A 412 LEU HB3 . 18535 1 513 . 1 1 49 49 LEU HD11 H 1 0.58 0.02 . 2 . . . A 412 LEU HD11 . 18535 1 514 . 1 1 49 49 LEU HD12 H 1 0.58 0.02 . 2 . . . A 412 LEU HD12 . 18535 1 515 . 1 1 49 49 LEU HD13 H 1 0.58 0.02 . 2 . . . A 412 LEU HD13 . 18535 1 516 . 1 1 49 49 LEU HD21 H 1 0.53 0.02 . 2 . . . A 412 LEU HD21 . 18535 1 517 . 1 1 49 49 LEU HD22 H 1 0.53 0.02 . 2 . . . A 412 LEU HD22 . 18535 1 518 . 1 1 49 49 LEU HD23 H 1 0.53 0.02 . 2 . . . A 412 LEU HD23 . 18535 1 519 . 1 1 49 49 LEU C C 13 177.35 0.30 . 1 . . . A 412 LEU C . 18535 1 520 . 1 1 49 49 LEU CA C 13 55.62 0.30 . 1 . . . A 412 LEU CA . 18535 1 521 . 1 1 49 49 LEU CB C 13 43.14 0.30 . 1 . . . A 412 LEU CB . 18535 1 522 . 1 1 49 49 LEU CG C 13 27.56 0.30 . 1 . . . A 412 LEU CG . 18535 1 523 . 1 1 49 49 LEU CD1 C 13 22.16 0.30 . 1 . . . A 412 LEU CD1 . 18535 1 524 . 1 1 49 49 LEU CD2 C 13 25.64 0.30 . 1 . . . A 412 LEU CD2 . 18535 1 525 . 1 1 49 49 LEU N N 15 128.38 0.30 . 1 . . . A 412 LEU N . 18535 1 526 . 1 1 50 50 GLY H H 1 7.25 0.02 . 1 . . . A 413 GLY H . 18535 1 527 . 1 1 50 50 GLY HA2 H 1 3.94 0.02 . 2 . . . A 413 GLY HA2 . 18535 1 528 . 1 1 50 50 GLY HA3 H 1 4.23 0.02 . 2 . . . A 413 GLY HA3 . 18535 1 529 . 1 1 50 50 GLY C C 13 170.79 0.30 . 1 . . . A 413 GLY C . 18535 1 530 . 1 1 50 50 GLY CA C 13 45.24 0.30 . 1 . . . A 413 GLY CA . 18535 1 531 . 1 1 50 50 GLY N N 15 102.38 0.30 . 1 . . . A 413 GLY N . 18535 1 532 . 1 1 51 51 THR H H 1 8.61 0.02 . 1 . . . A 414 THR H . 18535 1 533 . 1 1 51 51 THR HA H 1 5.08 0.02 . 1 . . . A 414 THR HA . 18535 1 534 . 1 1 51 51 THR HB H 1 3.75 0.02 . 1 . . . A 414 THR HB . 18535 1 535 . 1 1 51 51 THR HG21 H 1 1.08 0.02 . 1 . . . A 414 THR HG21 . 18535 1 536 . 1 1 51 51 THR HG22 H 1 1.08 0.02 . 1 . . . A 414 THR HG22 . 18535 1 537 . 1 1 51 51 THR HG23 H 1 1.08 0.02 . 1 . . . A 414 THR HG23 . 18535 1 538 . 1 1 51 51 THR C C 13 173.08 0.30 . 1 . . . A 414 THR C . 18535 1 539 . 1 1 51 51 THR CA C 13 62.77 0.30 . 1 . . . A 414 THR CA . 18535 1 540 . 1 1 51 51 THR CB C 13 70.65 0.30 . 1 . . . A 414 THR CB . 18535 1 541 . 1 1 51 51 THR CG2 C 13 21.78 0.30 . 1 . . . A 414 THR CG2 . 18535 1 542 . 1 1 51 51 THR N N 15 118.69 0.30 . 1 . . . A 414 THR N . 18535 1 543 . 1 1 52 52 GLY H H 1 9.51 0.02 . 1 . . . A 415 GLY H . 18535 1 544 . 1 1 52 52 GLY HA2 H 1 4.1 0.02 . 2 . . . A 415 GLY HA2 . 18535 1 545 . 1 1 52 52 GLY HA3 H 1 4.59 0.02 . 2 . . . A 415 GLY HA3 . 18535 1 546 . 1 1 52 52 GLY C C 13 170.69 0.30 . 1 . . . A 415 GLY C . 18535 1 547 . 1 1 52 52 GLY CA C 13 44.02 0.30 . 1 . . . A 415 GLY CA . 18535 1 548 . 1 1 52 52 GLY N N 15 115.55 0.30 . 1 . . . A 415 GLY N . 18535 1 549 . 1 1 53 53 VAL H H 1 8 0.02 . 1 . . . A 416 VAL H . 18535 1 550 . 1 1 53 53 VAL HA H 1 5.31 0.02 . 1 . . . A 416 VAL HA . 18535 1 551 . 1 1 53 53 VAL HB H 1 1.92 0.02 . 1 . . . A 416 VAL HB . 18535 1 552 . 1 1 53 53 VAL HG11 H 1 0.86 0.02 . 2 . . . A 416 VAL HG11 . 18535 1 553 . 1 1 53 53 VAL HG12 H 1 0.86 0.02 . 2 . . . A 416 VAL HG12 . 18535 1 554 . 1 1 53 53 VAL HG13 H 1 0.86 0.02 . 2 . . . A 416 VAL HG13 . 18535 1 555 . 1 1 53 53 VAL HG21 H 1 0.86 0.02 . 2 . . . A 416 VAL HG21 . 18535 1 556 . 1 1 53 53 VAL HG22 H 1 0.86 0.02 . 2 . . . A 416 VAL HG22 . 18535 1 557 . 1 1 53 53 VAL HG23 H 1 0.86 0.02 . 2 . . . A 416 VAL HG23 . 18535 1 558 . 1 1 53 53 VAL C C 13 176.26 0.30 . 1 . . . A 416 VAL C . 18535 1 559 . 1 1 53 53 VAL CA C 13 59.76 0.30 . 1 . . . A 416 VAL CA . 18535 1 560 . 1 1 53 53 VAL CB C 13 34.9 0.30 . 1 . . . A 416 VAL CB . 18535 1 561 . 1 1 53 53 VAL CG1 C 13 20.88 0.30 . 1 . . . A 416 VAL CG1 . 18535 1 562 . 1 1 53 53 VAL CG2 C 13 20.88 0.30 . 1 . . . A 416 VAL CG2 . 18535 1 563 . 1 1 53 53 VAL N N 15 119.95 0.30 . 1 . . . A 416 VAL N . 18535 1 564 . 1 1 54 54 GLY H H 1 8.34 0.02 . 1 . . . A 417 GLY H . 18535 1 565 . 1 1 54 54 GLY HA2 H 1 3.77 0.02 . 2 . . . A 417 GLY HA2 . 18535 1 566 . 1 1 54 54 GLY HA3 H 1 4.37 0.02 . 2 . . . A 417 GLY HA3 . 18535 1 567 . 1 1 54 54 GLY C C 13 172.91 0.30 . 1 . . . A 417 GLY C . 18535 1 568 . 1 1 54 54 GLY CA C 13 45.54 0.30 . 1 . . . A 417 GLY CA . 18535 1 569 . 1 1 54 54 GLY N N 15 109.19 0.30 . 1 . . . A 417 GLY N . 18535 1 570 . 1 1 55 55 ARG H H 1 8.8 0.02 . 1 . . . A 418 ARG H . 18535 1 571 . 1 1 55 55 ARG HA H 1 4.37 0.02 . 1 . . . A 418 ARG HA . 18535 1 572 . 1 1 55 55 ARG HB2 H 1 1.87 0.02 . 2 . . . A 418 ARG HB2 . 18535 1 573 . 1 1 55 55 ARG HB3 H 1 1.87 0.02 . 2 . . . A 418 ARG HB3 . 18535 1 574 . 1 1 55 55 ARG HG2 H 1 1.65 0.02 . 2 . . . A 418 ARG HG2 . 18535 1 575 . 1 1 55 55 ARG HG3 H 1 1.65 0.02 . 2 . . . A 418 ARG HG3 . 18535 1 576 . 1 1 55 55 ARG HD2 H 1 3.22 0.02 . 2 . . . A 418 ARG HD2 . 18535 1 577 . 1 1 55 55 ARG HD3 H 1 3.22 0.02 . 2 . . . A 418 ARG HD3 . 18535 1 578 . 1 1 55 55 ARG C C 13 175 0.30 . 1 . . . A 418 ARG C . 18535 1 579 . 1 1 55 55 ARG CA C 13 57.99 0.30 . 1 . . . A 418 ARG CA . 18535 1 580 . 1 1 55 55 ARG CB C 13 30.01 0.30 . 1 . . . A 418 ARG CB . 18535 1 581 . 1 1 55 55 ARG CG C 13 27.73 0.30 . 1 . . . A 418 ARG CG . 18535 1 582 . 1 1 55 55 ARG CD C 13 43.29 0.30 . 1 . . . A 418 ARG CD . 18535 1 583 . 1 1 55 55 ARG N N 15 118.58 0.30 . 1 . . . A 418 ARG N . 18535 1 584 . 1 1 56 56 ASN H H 1 7.32 0.02 . 1 . . . A 419 ASN H . 18535 1 585 . 1 1 56 56 ASN HA H 1 4.66 0.02 . 1 . . . A 419 ASN HA . 18535 1 586 . 1 1 56 56 ASN HB2 H 1 2.92 0.02 . 2 . . . A 419 ASN HB2 . 18535 1 587 . 1 1 56 56 ASN HB3 H 1 3.18 0.02 . 2 . . . A 419 ASN HB3 . 18535 1 588 . 1 1 56 56 ASN C C 13 174.77 0.30 . 1 . . . A 419 ASN C . 18535 1 589 . 1 1 56 56 ASN CA C 13 51.78 0.30 . 1 . . . A 419 ASN CA . 18535 1 590 . 1 1 56 56 ASN CB C 13 40.89 0.30 . 1 . . . A 419 ASN CB . 18535 1 591 . 1 1 56 56 ASN N N 15 110.79 0.30 . 1 . . . A 419 ASN N . 18535 1 592 . 1 1 57 57 ILE H H 1 8.4 0.02 . 1 . . . A 420 ILE H . 18535 1 593 . 1 1 57 57 ILE HA H 1 3.68 0.02 . 1 . . . A 420 ILE HA . 18535 1 594 . 1 1 57 57 ILE HB H 1 1.76 0.02 . 1 . . . A 420 ILE HB . 18535 1 595 . 1 1 57 57 ILE HG12 H 1 1.55 0.02 . 1 . . . A 420 ILE HG12 . 18535 1 596 . 1 1 57 57 ILE HG13 H 1 1.55 0.02 . 9 . . . A 420 ILE HG13 . 18535 1 597 . 1 1 57 57 ILE HG21 H 1 0.89 0.02 . 1 . . . A 420 ILE HG21 . 18535 1 598 . 1 1 57 57 ILE HG22 H 1 0.89 0.02 . 1 . . . A 420 ILE HG22 . 18535 1 599 . 1 1 57 57 ILE HG23 H 1 0.89 0.02 . 1 . . . A 420 ILE HG23 . 18535 1 600 . 1 1 57 57 ILE HD11 H 1 1.2 0.02 . 1 . . . A 420 ILE HD11 . 18535 1 601 . 1 1 57 57 ILE HD12 H 1 1.2 0.02 . 1 . . . A 420 ILE HD12 . 18535 1 602 . 1 1 57 57 ILE HD13 H 1 1.2 0.02 . 1 . . . A 420 ILE HD13 . 18535 1 603 . 1 1 57 57 ILE C C 13 178.11 0.30 . 1 . . . A 420 ILE C . 18535 1 604 . 1 1 57 57 ILE CA C 13 64.52 0.30 . 1 . . . A 420 ILE CA . 18535 1 605 . 1 1 57 57 ILE CB C 13 38.37 0.30 . 1 . . . A 420 ILE CB . 18535 1 606 . 1 1 57 57 ILE CG1 C 13 27.74 0.30 . 1 . . . A 420 ILE CG1 . 18535 1 607 . 1 1 57 57 ILE CG2 C 13 17.65 0.30 . 1 . . . A 420 ILE CG2 . 18535 1 608 . 1 1 57 57 ILE CD1 C 13 13.75 0.30 . 1 . . . A 420 ILE CD1 . 18535 1 609 . 1 1 57 57 ILE N N 15 118.08 0.30 . 1 . . . A 420 ILE N . 18535 1 610 . 1 1 58 58 LYS H H 1 8.09 0.02 . 1 . . . A 421 LYS H . 18535 1 611 . 1 1 58 58 LYS HA H 1 3.96 0.02 . 1 . . . A 421 LYS HA . 18535 1 612 . 1 1 58 58 LYS HB2 H 1 1.8 0.02 . 2 . . . A 421 LYS HB2 . 18535 1 613 . 1 1 58 58 LYS HB3 H 1 1.8 0.02 . 2 . . . A 421 LYS HB3 . 18535 1 614 . 1 1 58 58 LYS HG2 H 1 1.2 0.02 . 2 . . . A 421 LYS HG2 . 18535 1 615 . 1 1 58 58 LYS HG3 H 1 1.43 0.02 . 2 . . . A 421 LYS HG3 . 18535 1 616 . 1 1 58 58 LYS HD2 H 1 1.59 0.02 . 2 . . . A 421 LYS HD2 . 18535 1 617 . 1 1 58 58 LYS HD3 H 1 1.59 0.02 . 2 . . . A 421 LYS HD3 . 18535 1 618 . 1 1 58 58 LYS HE2 H 1 2.91 0.02 . 2 . . . A 421 LYS HE2 . 18535 1 619 . 1 1 58 58 LYS HE3 H 1 2.91 0.02 . 2 . . . A 421 LYS HE3 . 18535 1 620 . 1 1 58 58 LYS C C 13 179.24 0.30 . 1 . . . A 421 LYS C . 18535 1 621 . 1 1 58 58 LYS CA C 13 59.78 0.30 . 1 . . . A 421 LYS CA . 18535 1 622 . 1 1 58 58 LYS CB C 13 31.53 0.30 . 1 . . . A 421 LYS CB . 18535 1 623 . 1 1 58 58 LYS CG C 13 24.74 0.30 . 1 . . . A 421 LYS CG . 18535 1 624 . 1 1 58 58 LYS CD C 13 28.61 0.30 . 1 . . . A 421 LYS CD . 18535 1 625 . 1 1 58 58 LYS CE C 13 41.67 0.30 . 1 . . . A 421 LYS CE . 18535 1 626 . 1 1 58 58 LYS N N 15 124.6 0.30 . 1 . . . A 421 LYS N . 18535 1 627 . 1 1 59 59 ILE H H 1 8.47 0.02 . 1 . . . A 422 ILE H . 18535 1 628 . 1 1 59 59 ILE HA H 1 3.73 0.02 . 1 . . . A 422 ILE HA . 18535 1 629 . 1 1 59 59 ILE HB H 1 1.63 0.02 . 1 . . . A 422 ILE HB . 18535 1 630 . 1 1 59 59 ILE HG12 H 1 1.24 0.02 . 1 . . . A 422 ILE HG12 . 18535 1 631 . 1 1 59 59 ILE HG13 H 1 1.24 0.02 . 9 . . . A 422 ILE HG13 . 18535 1 632 . 1 1 59 59 ILE HG21 H 1 0.99 0.02 . 1 . . . A 422 ILE HG21 . 18535 1 633 . 1 1 59 59 ILE HG22 H 1 0.99 0.02 . 1 . . . A 422 ILE HG22 . 18535 1 634 . 1 1 59 59 ILE HG23 H 1 0.99 0.02 . 1 . . . A 422 ILE HG23 . 18535 1 635 . 1 1 59 59 ILE HD11 H 1 0.86 0.02 . 1 . . . A 422 ILE HD11 . 18535 1 636 . 1 1 59 59 ILE HD12 H 1 0.86 0.02 . 1 . . . A 422 ILE HD12 . 18535 1 637 . 1 1 59 59 ILE HD13 H 1 0.86 0.02 . 1 . . . A 422 ILE HD13 . 18535 1 638 . 1 1 59 59 ILE C C 13 175.56 0.30 . 1 . . . A 422 ILE C . 18535 1 639 . 1 1 59 59 ILE CA C 13 63.35 0.30 . 1 . . . A 422 ILE CA . 18535 1 640 . 1 1 59 59 ILE CB C 13 38.01 0.30 . 1 . . . A 422 ILE CB . 18535 1 641 . 1 1 59 59 ILE CG1 C 13 29.2 0.30 . 1 . . . A 422 ILE CG1 . 18535 1 642 . 1 1 59 59 ILE CG2 C 13 17.96 0.30 . 1 . . . A 422 ILE CG2 . 18535 1 643 . 1 1 59 59 ILE CD1 C 13 13.21 0.30 . 1 . . . A 422 ILE CD1 . 18535 1 644 . 1 1 59 59 ILE N N 15 119.33 0.30 . 1 . . . A 422 ILE N . 18535 1 645 . 1 1 60 60 ALA H H 1 8.03 0.02 . 1 . . . A 423 ALA H . 18535 1 646 . 1 1 60 60 ALA HA H 1 3.6 0.02 . 1 . . . A 423 ALA HA . 18535 1 647 . 1 1 60 60 ALA HB1 H 1 1.21 0.02 . 1 . . . A 423 ALA HB1 . 18535 1 648 . 1 1 60 60 ALA HB2 H 1 1.21 0.02 . 1 . . . A 423 ALA HB2 . 18535 1 649 . 1 1 60 60 ALA HB3 H 1 1.21 0.02 . 1 . . . A 423 ALA HB3 . 18535 1 650 . 1 1 60 60 ALA C C 13 179.34 0.30 . 1 . . . A 423 ALA C . 18535 1 651 . 1 1 60 60 ALA CA C 13 55.94 0.30 . 1 . . . A 423 ALA CA . 18535 1 652 . 1 1 60 60 ALA CB C 13 18.21 0.30 . 1 . . . A 423 ALA CB . 18535 1 653 . 1 1 60 60 ALA N N 15 121.95 0.30 . 1 . . . A 423 ALA N . 18535 1 654 . 1 1 61 61 GLY H H 1 8 0.02 . 1 . . . A 424 GLY H . 18535 1 655 . 1 1 61 61 GLY HA2 H 1 3.61 0.02 . 2 . . . A 424 GLY HA2 . 18535 1 656 . 1 1 61 61 GLY HA3 H 1 3.82 0.02 . 2 . . . A 424 GLY HA3 . 18535 1 657 . 1 1 61 61 GLY C C 13 175.06 0.30 . 1 . . . A 424 GLY C . 18535 1 658 . 1 1 61 61 GLY CA C 13 47.32 0.30 . 1 . . . A 424 GLY CA . 18535 1 659 . 1 1 61 61 GLY N N 15 104.13 0.30 . 1 . . . A 424 GLY N . 18535 1 660 . 1 1 62 62 ILE H H 1 7.6 0.02 . 1 . . . A 425 ILE H . 18535 1 661 . 1 1 62 62 ILE HA H 1 3.52 0.02 . 1 . . . A 425 ILE HA . 18535 1 662 . 1 1 62 62 ILE HB H 1 2 0.02 . 1 . . . A 425 ILE HB . 18535 1 663 . 1 1 62 62 ILE HG12 H 1 1.08 0.02 . 9 . . . A 425 ILE HG12 . 18535 1 664 . 1 1 62 62 ILE HG13 H 1 1.72 0.02 . 9 . . . A 425 ILE HG13 . 18535 1 665 . 1 1 62 62 ILE HG21 H 1 0.94 0.02 . 1 . . . A 425 ILE HG21 . 18535 1 666 . 1 1 62 62 ILE HG22 H 1 0.94 0.02 . 1 . . . A 425 ILE HG22 . 18535 1 667 . 1 1 62 62 ILE HG23 H 1 0.94 0.02 . 1 . . . A 425 ILE HG23 . 18535 1 668 . 1 1 62 62 ILE HD11 H 1 0.86 0.02 . 1 . . . A 425 ILE HD11 . 18535 1 669 . 1 1 62 62 ILE HD12 H 1 0.86 0.02 . 1 . . . A 425 ILE HD12 . 18535 1 670 . 1 1 62 62 ILE HD13 H 1 0.86 0.02 . 1 . . . A 425 ILE HD13 . 18535 1 671 . 1 1 62 62 ILE C C 13 178.34 0.30 . 1 . . . A 425 ILE C . 18535 1 672 . 1 1 62 62 ILE CA C 13 65.45 0.30 . 1 . . . A 425 ILE CA . 18535 1 673 . 1 1 62 62 ILE CB C 13 37.46 0.30 . 1 . . . A 425 ILE CB . 18535 1 674 . 1 1 62 62 ILE CG1 C 13 29.24 0.30 . 1 . . . A 425 ILE CG1 . 18535 1 675 . 1 1 62 62 ILE CG2 C 13 18.5 0.30 . 1 . . . A 425 ILE CG2 . 18535 1 676 . 1 1 62 62 ILE CD1 C 13 13.8 0.30 . 1 . . . A 425 ILE CD1 . 18535 1 677 . 1 1 62 62 ILE N N 15 122.45 0.30 . 1 . . . A 425 ILE N . 18535 1 678 . 1 1 63 63 ARG H H 1 8.3 0.02 . 1 . . . A 426 ARG H . 18535 1 679 . 1 1 63 63 ARG HA H 1 4.1 0.02 . 1 . . . A 426 ARG HA . 18535 1 680 . 1 1 63 63 ARG HB2 H 1 1.99 0.02 . 2 . . . A 426 ARG HB2 . 18535 1 681 . 1 1 63 63 ARG HB3 H 1 1.99 0.02 . 2 . . . A 426 ARG HB3 . 18535 1 682 . 1 1 63 63 ARG HD2 H 1 3.17 0.02 . 2 . . . A 426 ARG HD2 . 18535 1 683 . 1 1 63 63 ARG HD3 H 1 3.17 0.02 . 2 . . . A 426 ARG HD3 . 18535 1 684 . 1 1 63 63 ARG C C 13 178.54 0.30 . 1 . . . A 426 ARG C . 18535 1 685 . 1 1 63 63 ARG CA C 13 59.48 0.30 . 1 . . . A 426 ARG CA . 18535 1 686 . 1 1 63 63 ARG CB C 13 29.49 0.30 . 1 . . . A 426 ARG CB . 18535 1 687 . 1 1 63 63 ARG CG C 13 27.71 0.30 . 1 . . . A 426 ARG CG . 18535 1 688 . 1 1 63 63 ARG CD C 13 43.96 0.30 . 1 . . . A 426 ARG CD . 18535 1 689 . 1 1 63 63 ARG N N 15 118.17 0.30 . 1 . . . A 426 ARG N . 18535 1 690 . 1 1 64 64 ALA H H 1 8.24 0.02 . 1 . . . A 427 ALA H . 18535 1 691 . 1 1 64 64 ALA HA H 1 3.72 0.02 . 1 . . . A 427 ALA HA . 18535 1 692 . 1 1 64 64 ALA HB1 H 1 1.54 0.02 . 1 . . . A 427 ALA HB1 . 18535 1 693 . 1 1 64 64 ALA HB2 H 1 1.54 0.02 . 1 . . . A 427 ALA HB2 . 18535 1 694 . 1 1 64 64 ALA HB3 H 1 1.54 0.02 . 1 . . . A 427 ALA HB3 . 18535 1 695 . 1 1 64 64 ALA C C 13 179.14 0.30 . 1 . . . A 427 ALA C . 18535 1 696 . 1 1 64 64 ALA CA C 13 55.92 0.30 . 1 . . . A 427 ALA CA . 18535 1 697 . 1 1 64 64 ALA CB C 13 18.22 0.30 . 1 . . . A 427 ALA CB . 18535 1 698 . 1 1 64 64 ALA N N 15 124.33 0.30 . 1 . . . A 427 ALA N . 18535 1 699 . 1 1 65 65 ALA H H 1 7.72 0.02 . 1 . . . A 428 ALA H . 18535 1 700 . 1 1 65 65 ALA HA H 1 4.13 0.02 . 1 . . . A 428 ALA HA . 18535 1 701 . 1 1 65 65 ALA HB1 H 1 1.56 0.02 . 1 . . . A 428 ALA HB1 . 18535 1 702 . 1 1 65 65 ALA HB2 H 1 1.56 0.02 . 1 . . . A 428 ALA HB2 . 18535 1 703 . 1 1 65 65 ALA HB3 H 1 1.56 0.02 . 1 . . . A 428 ALA HB3 . 18535 1 704 . 1 1 65 65 ALA C C 13 179.37 0.30 . 1 . . . A 428 ALA C . 18535 1 705 . 1 1 65 65 ALA CA C 13 55.02 0.30 . 1 . . . A 428 ALA CA . 18535 1 706 . 1 1 65 65 ALA CB C 13 17.63 0.30 . 1 . . . A 428 ALA CB . 18535 1 707 . 1 1 65 65 ALA N N 15 120.24 0.30 . 1 . . . A 428 ALA N . 18535 1 708 . 1 1 66 66 GLU H H 1 8.73 0.02 . 1 . . . A 429 GLU H . 18535 1 709 . 1 1 66 66 GLU HA H 1 3.8 0.02 . 1 . . . A 429 GLU HA . 18535 1 710 . 1 1 66 66 GLU HB2 H 1 1.92 0.02 . 2 . . . A 429 GLU HB2 . 18535 1 711 . 1 1 66 66 GLU HB3 H 1 2.25 0.02 . 2 . . . A 429 GLU HB3 . 18535 1 712 . 1 1 66 66 GLU HG2 H 1 2.51 0.02 . 2 . . . A 429 GLU HG2 . 18535 1 713 . 1 1 66 66 GLU HG3 H 1 2.51 0.02 . 2 . . . A 429 GLU HG3 . 18535 1 714 . 1 1 66 66 GLU C C 13 179.57 0.30 . 1 . . . A 429 GLU C . 18535 1 715 . 1 1 66 66 GLU CA C 13 59.79 0.30 . 1 . . . A 429 GLU CA . 18535 1 716 . 1 1 66 66 GLU CB C 13 29.95 0.30 . 1 . . . A 429 GLU CB . 18535 1 717 . 1 1 66 66 GLU CG C 13 36.93 0.30 . 1 . . . A 429 GLU CG . 18535 1 718 . 1 1 66 66 GLU N N 15 117.58 0.30 . 1 . . . A 429 GLU N . 18535 1 719 . 1 1 67 67 ASN H H 1 8.26 0.02 . 1 . . . A 430 ASN H . 18535 1 720 . 1 1 67 67 ASN HA H 1 4.53 0.02 . 1 . . . A 430 ASN HA . 18535 1 721 . 1 1 67 67 ASN HB2 H 1 2.93 0.02 . 2 . . . A 430 ASN HB2 . 18535 1 722 . 1 1 67 67 ASN HB3 H 1 2.93 0.02 . 2 . . . A 430 ASN HB3 . 18535 1 723 . 1 1 67 67 ASN C C 13 178.71 0.30 . 1 . . . A 430 ASN C . 18535 1 724 . 1 1 67 67 ASN CA C 13 56.22 0.30 . 1 . . . A 430 ASN CA . 18535 1 725 . 1 1 67 67 ASN CB C 13 38.69 0.30 . 1 . . . A 430 ASN CB . 18535 1 726 . 1 1 67 67 ASN N N 15 117.24 0.30 . 1 . . . A 430 ASN N . 18535 1 727 . 1 1 68 68 ALA H H 1 8.16 0.02 . 1 . . . A 431 ALA H . 18535 1 728 . 1 1 68 68 ALA HA H 1 4.2 0.02 . 1 . . . A 431 ALA HA . 18535 1 729 . 1 1 68 68 ALA HB1 H 1 1.33 0.02 . 1 . . . A 431 ALA HB1 . 18535 1 730 . 1 1 68 68 ALA HB2 H 1 1.33 0.02 . 1 . . . A 431 ALA HB2 . 18535 1 731 . 1 1 68 68 ALA HB3 H 1 1.33 0.02 . 1 . . . A 431 ALA HB3 . 18535 1 732 . 1 1 68 68 ALA C C 13 178.97 0.30 . 1 . . . A 431 ALA C . 18535 1 733 . 1 1 68 68 ALA CA C 13 55.36 0.30 . 1 . . . A 431 ALA CA . 18535 1 734 . 1 1 68 68 ALA CB C 13 19.41 0.30 . 1 . . . A 431 ALA CB . 18535 1 735 . 1 1 68 68 ALA N N 15 126.17 0.30 . 1 . . . A 431 ALA N . 18535 1 736 . 1 1 69 69 LEU H H 1 7.98 0.02 . 1 . . . A 432 LEU H . 18535 1 737 . 1 1 69 69 LEU HA H 1 3.96 0.02 . 1 . . . A 432 LEU HA . 18535 1 738 . 1 1 69 69 LEU HB2 H 1 1.42 0.02 . 2 . . . A 432 LEU HB2 . 18535 1 739 . 1 1 69 69 LEU HB3 H 1 1.99 0.02 . 2 . . . A 432 LEU HB3 . 18535 1 740 . 1 1 69 69 LEU HD11 H 1 0.9 0.02 . 2 . . . A 432 LEU HD11 . 18535 1 741 . 1 1 69 69 LEU HD12 H 1 0.9 0.02 . 2 . . . A 432 LEU HD12 . 18535 1 742 . 1 1 69 69 LEU HD13 H 1 0.9 0.02 . 2 . . . A 432 LEU HD13 . 18535 1 743 . 1 1 69 69 LEU HD21 H 1 0.78 0.02 . 2 . . . A 432 LEU HD21 . 18535 1 744 . 1 1 69 69 LEU HD22 H 1 0.78 0.02 . 2 . . . A 432 LEU HD22 . 18535 1 745 . 1 1 69 69 LEU HD23 H 1 0.78 0.02 . 2 . . . A 432 LEU HD23 . 18535 1 746 . 1 1 69 69 LEU C C 13 177.48 0.30 . 1 . . . A 432 LEU C . 18535 1 747 . 1 1 69 69 LEU CA C 13 56.77 0.30 . 1 . . . A 432 LEU CA . 18535 1 748 . 1 1 69 69 LEU CB C 13 42.26 0.30 . 1 . . . A 432 LEU CB . 18535 1 749 . 1 1 69 69 LEU CG C 13 27.09 0.30 . 1 . . . A 432 LEU CG . 18535 1 750 . 1 1 69 69 LEU CD1 C 13 25.63 0.30 . 1 . . . A 432 LEU CD1 . 18535 1 751 . 1 1 69 69 LEU CD2 C 13 24.14 0.30 . 1 . . . A 432 LEU CD2 . 18535 1 752 . 1 1 69 69 LEU N N 15 114.31 0.30 . 1 . . . A 432 LEU N . 18535 1 753 . 1 1 70 70 ARG H H 1 7.25 0.02 . 1 . . . A 433 ARG H . 18535 1 754 . 1 1 70 70 ARG HA H 1 4.19 0.02 . 1 . . . A 433 ARG HA . 18535 1 755 . 1 1 70 70 ARG HB2 H 1 1.96 0.02 . 2 . . . A 433 ARG HB2 . 18535 1 756 . 1 1 70 70 ARG HB3 H 1 1.96 0.02 . 2 . . . A 433 ARG HB3 . 18535 1 757 . 1 1 70 70 ARG HG2 H 1 1.73 0.02 . 2 . . . A 433 ARG HG2 . 18535 1 758 . 1 1 70 70 ARG HG3 H 1 1.73 0.02 . 2 . . . A 433 ARG HG3 . 18535 1 759 . 1 1 70 70 ARG HD2 H 1 3.26 0.02 . 2 . . . A 433 ARG HD2 . 18535 1 760 . 1 1 70 70 ARG HD3 H 1 3.26 0.02 . 2 . . . A 433 ARG HD3 . 18535 1 761 . 1 1 70 70 ARG C C 13 176.65 0.30 . 1 . . . A 433 ARG C . 18535 1 762 . 1 1 70 70 ARG CA C 13 56.97 0.30 . 1 . . . A 433 ARG CA . 18535 1 763 . 1 1 70 70 ARG CB C 13 30.88 0.30 . 1 . . . A 433 ARG CB . 18535 1 764 . 1 1 70 70 ARG CG C 13 27.17 0.30 . 1 . . . A 433 ARG CG . 18535 1 765 . 1 1 70 70 ARG CD C 13 43.62 0.30 . 1 . . . A 433 ARG CD . 18535 1 766 . 1 1 70 70 ARG N N 15 115 0.30 . 1 . . . A 433 ARG N . 18535 1 767 . 1 1 71 71 ASP H H 1 7.7 0.02 . 1 . . . A 434 ASP H . 18535 1 768 . 1 1 71 71 ASP HA H 1 4.79 0.02 . 1 . . . A 434 ASP HA . 18535 1 769 . 1 1 71 71 ASP HB2 H 1 2.52 0.02 . 2 . . . A 434 ASP HB2 . 18535 1 770 . 1 1 71 71 ASP HB3 H 1 3.46 0.02 . 2 . . . A 434 ASP HB3 . 18535 1 771 . 1 1 71 71 ASP C C 13 175.06 0.30 . 1 . . . A 434 ASP C . 18535 1 772 . 1 1 71 71 ASP CA C 13 52.35 0.30 . 1 . . . A 434 ASP CA . 18535 1 773 . 1 1 71 71 ASP CB C 13 39.59 0.30 . 1 . . . A 434 ASP CB . 18535 1 774 . 1 1 71 71 ASP N N 15 120.66 0.30 . 1 . . . A 434 ASP N . 18535 1 775 . 1 1 72 72 LYS H H 1 7.84 0.02 . 1 . . . A 435 LYS H . 18535 1 776 . 1 1 72 72 LYS HA H 1 3.89 0.02 . 1 . . . A 435 LYS HA . 18535 1 777 . 1 1 72 72 LYS HB2 H 1 1.9 0.02 . 2 . . . A 435 LYS HB2 . 18535 1 778 . 1 1 72 72 LYS HB3 H 1 1.9 0.02 . 2 . . . A 435 LYS HB3 . 18535 1 779 . 1 1 72 72 LYS HG2 H 1 1.52 0.02 . 2 . . . A 435 LYS HG2 . 18535 1 780 . 1 1 72 72 LYS HG3 H 1 1.52 0.02 . 2 . . . A 435 LYS HG3 . 18535 1 781 . 1 1 72 72 LYS HE2 H 1 3.04 0.02 . 2 . . . A 435 LYS HE2 . 18535 1 782 . 1 1 72 72 LYS HE3 H 1 3.04 0.02 . 2 . . . A 435 LYS HE3 . 18535 1 783 . 1 1 72 72 LYS C C 13 178.51 0.30 . 1 . . . A 435 LYS C . 18535 1 784 . 1 1 72 72 LYS CA C 13 59.48 0.30 . 1 . . . A 435 LYS CA . 18535 1 785 . 1 1 72 72 LYS CB C 13 32.43 0.30 . 1 . . . A 435 LYS CB . 18535 1 786 . 1 1 72 72 LYS CG C 13 25.42 0.30 . 1 . . . A 435 LYS CG . 18535 1 787 . 1 1 72 72 LYS CD C 13 29.23 0.30 . 1 . . . A 435 LYS CD . 18535 1 788 . 1 1 72 72 LYS CE C 13 42.56 0.30 . 1 . . . A 435 LYS CE . 18535 1 789 . 1 1 72 72 LYS N N 15 122.98 0.30 . 1 . . . A 435 LYS N . 18535 1 790 . 1 1 73 73 LYS H H 1 8.18 0.02 . 1 . . . A 436 LYS H . 18535 1 791 . 1 1 73 73 LYS HA H 1 4.14 0.02 . 1 . . . A 436 LYS HA . 18535 1 792 . 1 1 73 73 LYS HB2 H 1 1.9 0.02 . 2 . . . A 436 LYS HB2 . 18535 1 793 . 1 1 73 73 LYS HB3 H 1 1.9 0.02 . 2 . . . A 436 LYS HB3 . 18535 1 794 . 1 1 73 73 LYS C C 13 179.54 0.30 . 1 . . . A 436 LYS C . 18535 1 795 . 1 1 73 73 LYS CA C 13 59.23 0.30 . 1 . . . A 436 LYS CA . 18535 1 796 . 1 1 73 73 LYS CB C 13 32.18 0.30 . 1 . . . A 436 LYS CB . 18535 1 797 . 1 1 73 73 LYS CG C 13 25.23 0.30 . 1 . . . A 436 LYS CG . 18535 1 798 . 1 1 73 73 LYS CD C 13 29.46 0.30 . 1 . . . A 436 LYS CD . 18535 1 799 . 1 1 73 73 LYS CE C 13 42.53 0.30 . 1 . . . A 436 LYS CE . 18535 1 800 . 1 1 73 73 LYS N N 15 118.4 0.30 . 1 . . . A 436 LYS N . 18535 1 801 . 1 1 74 74 MET H H 1 7.56 0.02 . 1 . . . A 437 MET H . 18535 1 802 . 1 1 74 74 MET HA H 1 4.28 0.02 . 1 . . . A 437 MET HA . 18535 1 803 . 1 1 74 74 MET HB2 H 1 2.15 0.02 . 2 . . . A 437 MET HB2 . 18535 1 804 . 1 1 74 74 MET HB3 H 1 2.26 0.02 . 2 . . . A 437 MET HB3 . 18535 1 805 . 1 1 74 74 MET C C 13 178.41 0.30 . 1 . . . A 437 MET C . 18535 1 806 . 1 1 74 74 MET CA C 13 58.08 0.30 . 1 . . . A 437 MET CA . 18535 1 807 . 1 1 74 74 MET CB C 13 31.59 0.30 . 1 . . . A 437 MET CB . 18535 1 808 . 1 1 74 74 MET N N 15 121.87 0.30 . 1 . . . A 437 MET N . 18535 1 809 . 1 1 75 75 LEU H H 1 8.23 0.02 . 1 . . . A 438 LEU H . 18535 1 810 . 1 1 75 75 LEU HA H 1 4.06 0.02 . 1 . . . A 438 LEU HA . 18535 1 811 . 1 1 75 75 LEU HB2 H 1 1.99 0.02 . 2 . . . A 438 LEU HB2 . 18535 1 812 . 1 1 75 75 LEU HB3 H 1 1.99 0.02 . 2 . . . A 438 LEU HB3 . 18535 1 813 . 1 1 75 75 LEU HD11 H 1 0.9 0.02 . 2 . . . A 438 LEU HD11 . 18535 1 814 . 1 1 75 75 LEU HD12 H 1 0.9 0.02 . 2 . . . A 438 LEU HD12 . 18535 1 815 . 1 1 75 75 LEU HD13 H 1 0.9 0.02 . 2 . . . A 438 LEU HD13 . 18535 1 816 . 1 1 75 75 LEU HD21 H 1 0.78 0.02 . 2 . . . A 438 LEU HD21 . 18535 1 817 . 1 1 75 75 LEU HD22 H 1 0.78 0.02 . 2 . . . A 438 LEU HD22 . 18535 1 818 . 1 1 75 75 LEU HD23 H 1 0.78 0.02 . 2 . . . A 438 LEU HD23 . 18535 1 819 . 1 1 75 75 LEU C C 13 179.67 0.30 . 1 . . . A 438 LEU C . 18535 1 820 . 1 1 75 75 LEU CA C 13 58.22 0.30 . 1 . . . A 438 LEU CA . 18535 1 821 . 1 1 75 75 LEU CB C 13 41.91 0.30 . 1 . . . A 438 LEU CB . 18535 1 822 . 1 1 75 75 LEU CG C 13 25.91 0.30 . 1 . . . A 438 LEU CG . 18535 1 823 . 1 1 75 75 LEU CD1 C 13 25.05 0.30 . 1 . . . A 438 LEU CD1 . 18535 1 824 . 1 1 75 75 LEU N N 15 119.12 0.30 . 1 . . . A 438 LEU N . 18535 1 825 . 1 1 76 76 ASP H H 1 8.17 0.02 . 1 . . . A 439 ASP H . 18535 1 826 . 1 1 76 76 ASP HA H 1 4.36 0.02 . 1 . . . A 439 ASP HA . 18535 1 827 . 1 1 76 76 ASP HB2 H 1 2.64 0.02 . 2 . . . A 439 ASP HB2 . 18535 1 828 . 1 1 76 76 ASP HB3 H 1 2.8 0.02 . 2 . . . A 439 ASP HB3 . 18535 1 829 . 1 1 76 76 ASP C C 13 178.11 0.30 . 1 . . . A 439 ASP C . 18535 1 830 . 1 1 76 76 ASP CA C 13 57.43 0.30 . 1 . . . A 439 ASP CA . 18535 1 831 . 1 1 76 76 ASP CB C 13 41.39 0.30 . 1 . . . A 439 ASP CB . 18535 1 832 . 1 1 76 76 ASP N N 15 118.07 0.30 . 1 . . . A 439 ASP N . 18535 1 833 . 1 1 77 77 PHE H H 1 7.71 0.02 . 1 . . . A 440 PHE H . 18535 1 834 . 1 1 77 77 PHE HA H 1 4.06 0.02 . 1 . . . A 440 PHE HA . 18535 1 835 . 1 1 77 77 PHE HB2 H 1 3.14 0.02 . 2 . . . A 440 PHE HB2 . 18535 1 836 . 1 1 77 77 PHE HB3 H 1 3.14 0.02 . 2 . . . A 440 PHE HB3 . 18535 1 837 . 1 1 77 77 PHE HE1 H 1 6.45 0.02 . 3 . . . A 440 PHE HE1 . 18535 1 838 . 1 1 77 77 PHE HE2 H 1 6.45 0.02 . 3 . . . A 440 PHE HE2 . 18535 1 839 . 1 1 77 77 PHE C C 13 178.61 0.30 . 1 . . . A 440 PHE C . 18535 1 840 . 1 1 77 77 PHE CA C 13 61.84 0.30 . 1 . . . A 440 PHE CA . 18535 1 841 . 1 1 77 77 PHE CB C 13 38.68 0.30 . 1 . . . A 440 PHE CB . 18535 1 842 . 1 1 77 77 PHE N N 15 119.7 0.30 . 1 . . . A 440 PHE N . 18535 1 843 . 1 1 78 78 TYR H H 1 8.29 0.02 . 1 . . . A 441 TYR H . 18535 1 844 . 1 1 78 78 TYR HA H 1 4.08 0.02 . 1 . . . A 441 TYR HA . 18535 1 845 . 1 1 78 78 TYR HB2 H 1 2.84 0.02 . 2 . . . A 441 TYR HB2 . 18535 1 846 . 1 1 78 78 TYR HB3 H 1 3.3 0.02 . 2 . . . A 441 TYR HB3 . 18535 1 847 . 1 1 78 78 TYR HD1 H 1 7.36 0.02 . 3 . . . A 441 TYR HD1 . 18535 1 848 . 1 1 78 78 TYR HD2 H 1 7.36 0.02 . 3 . . . A 441 TYR HD2 . 18535 1 849 . 1 1 78 78 TYR HE1 H 1 6.86 0.02 . 3 . . . A 441 TYR HE1 . 18535 1 850 . 1 1 78 78 TYR HE2 H 1 6.86 0.02 . 3 . . . A 441 TYR HE2 . 18535 1 851 . 1 1 78 78 TYR C C 13 178.51 0.30 . 1 . . . A 441 TYR C . 18535 1 852 . 1 1 78 78 TYR CA C 13 63.31 0.30 . 1 . . . A 441 TYR CA . 18535 1 853 . 1 1 78 78 TYR CB C 13 38.2 0.30 . 1 . . . A 441 TYR CB . 18535 1 854 . 1 1 78 78 TYR N N 15 117.67 0.30 . 1 . . . A 441 TYR N . 18535 1 855 . 1 1 79 79 ALA H H 1 9.03 0.02 . 1 . . . A 442 ALA H . 18535 1 856 . 1 1 79 79 ALA HA H 1 4.18 0.02 . 1 . . . A 442 ALA HA . 18535 1 857 . 1 1 79 79 ALA HB1 H 1 1.56 0.02 . 1 . . . A 442 ALA HB1 . 18535 1 858 . 1 1 79 79 ALA HB2 H 1 1.56 0.02 . 1 . . . A 442 ALA HB2 . 18535 1 859 . 1 1 79 79 ALA HB3 H 1 1.56 0.02 . 1 . . . A 442 ALA HB3 . 18535 1 860 . 1 1 79 79 ALA C C 13 181.13 0.30 . 1 . . . A 442 ALA C . 18535 1 861 . 1 1 79 79 ALA CA C 13 55.93 0.30 . 1 . . . A 442 ALA CA . 18535 1 862 . 1 1 79 79 ALA CB C 13 18.22 0.30 . 1 . . . A 442 ALA CB . 18535 1 863 . 1 1 79 79 ALA N N 15 124.83 0.30 . 1 . . . A 442 ALA N . 18535 1 864 . 1 1 80 80 LYS H H 1 7.83 0.02 . 1 . . . A 443 LYS H . 18535 1 865 . 1 1 80 80 LYS HA H 1 3.96 0.02 . 1 . . . A 443 LYS HA . 18535 1 866 . 1 1 80 80 LYS HB2 H 1 1.77 0.02 . 2 . . . A 443 LYS HB2 . 18535 1 867 . 1 1 80 80 LYS HB3 H 1 1.77 0.02 . 2 . . . A 443 LYS HB3 . 18535 1 868 . 1 1 80 80 LYS HG2 H 1 1.55 0.02 . 2 . . . A 443 LYS HG2 . 18535 1 869 . 1 1 80 80 LYS HG3 H 1 1.55 0.02 . 2 . . . A 443 LYS HG3 . 18535 1 870 . 1 1 80 80 LYS HD2 H 1 1.32 0.02 . 2 . . . A 443 LYS HD2 . 18535 1 871 . 1 1 80 80 LYS HD3 H 1 1.32 0.02 . 2 . . . A 443 LYS HD3 . 18535 1 872 . 1 1 80 80 LYS HE2 H 1 2.91 0.02 . 2 . . . A 443 LYS HE2 . 18535 1 873 . 1 1 80 80 LYS HE3 H 1 2.91 0.02 . 2 . . . A 443 LYS HE3 . 18535 1 874 . 1 1 80 80 LYS C C 13 179.04 0.30 . 1 . . . A 443 LYS C . 18535 1 875 . 1 1 80 80 LYS CA C 13 59.04 0.30 . 1 . . . A 443 LYS CA . 18535 1 876 . 1 1 80 80 LYS CB C 13 32.37 0.30 . 1 . . . A 443 LYS CB . 18535 1 877 . 1 1 80 80 LYS CG C 13 25.96 0.30 . 1 . . . A 443 LYS CG . 18535 1 878 . 1 1 80 80 LYS CD C 13 29.78 0.30 . 1 . . . A 443 LYS CD . 18535 1 879 . 1 1 80 80 LYS CE C 13 42.29 0.30 . 1 . . . A 443 LYS CE . 18535 1 880 . 1 1 80 80 LYS N N 15 119.03 0.30 . 1 . . . A 443 LYS N . 18535 1 881 . 1 1 81 81 GLN H H 1 7.52 0.02 . 1 . . . A 444 GLN H . 18535 1 882 . 1 1 81 81 GLN HA H 1 3.97 0.02 . 1 . . . A 444 GLN HA . 18535 1 883 . 1 1 81 81 GLN HB2 H 1 2.07 0.02 . 2 . . . A 444 GLN HB2 . 18535 1 884 . 1 1 81 81 GLN HB3 H 1 2.07 0.02 . 2 . . . A 444 GLN HB3 . 18535 1 885 . 1 1 81 81 GLN HG2 H 1 1.4 0.02 . 2 . . . A 444 GLN HG2 . 18535 1 886 . 1 1 81 81 GLN HG3 H 1 1.4 0.02 . 2 . . . A 444 GLN HG3 . 18535 1 887 . 1 1 81 81 GLN C C 13 178.21 0.30 . 1 . . . A 444 GLN C . 18535 1 888 . 1 1 81 81 GLN CA C 13 58.47 0.30 . 1 . . . A 444 GLN CA . 18535 1 889 . 1 1 81 81 GLN CB C 13 28.91 0.30 . 1 . . . A 444 GLN CB . 18535 1 890 . 1 1 81 81 GLN CG C 13 33.95 0.30 . 1 . . . A 444 GLN CG . 18535 1 891 . 1 1 81 81 GLN N N 15 119.52 0.30 . 1 . . . A 444 GLN N . 18535 1 892 . 1 1 82 82 ARG H H 1 8.09 0.02 . 1 . . . A 445 ARG H . 18535 1 893 . 1 1 82 82 ARG HA H 1 3.99 0.02 . 1 . . . A 445 ARG HA . 18535 1 894 . 1 1 82 82 ARG HB2 H 1 1.83 0.02 . 2 . . . A 445 ARG HB2 . 18535 1 895 . 1 1 82 82 ARG HB3 H 1 1.83 0.02 . 2 . . . A 445 ARG HB3 . 18535 1 896 . 1 1 82 82 ARG HD2 H 1 3.38 0.02 . 2 . . . A 445 ARG HD2 . 18535 1 897 . 1 1 82 82 ARG HD3 H 1 3.38 0.02 . 2 . . . A 445 ARG HD3 . 18535 1 898 . 1 1 82 82 ARG C C 13 177.58 0.30 . 1 . . . A 445 ARG C . 18535 1 899 . 1 1 82 82 ARG CA C 13 59.49 0.30 . 1 . . . A 445 ARG CA . 18535 1 900 . 1 1 82 82 ARG CB C 13 29.77 0.30 . 1 . . . A 445 ARG CB . 18535 1 901 . 1 1 82 82 ARG CG C 13 25.59 0.30 . 1 . . . A 445 ARG CG . 18535 1 902 . 1 1 82 82 ARG CD C 13 42.3 0.30 . 1 . . . A 445 ARG CD . 18535 1 903 . 1 1 82 82 ARG N N 15 119.4 0.30 . 1 . . . A 445 ARG N . 18535 1 904 . 1 1 83 83 ALA H H 1 7.51 0.02 . 1 . . . A 446 ALA H . 18535 1 905 . 1 1 83 83 ALA HA H 1 4.1 0.02 . 1 . . . A 446 ALA HA . 18535 1 906 . 1 1 83 83 ALA HB1 H 1 1.4 0.02 . 1 . . . A 446 ALA HB1 . 18535 1 907 . 1 1 83 83 ALA HB2 H 1 1.4 0.02 . 1 . . . A 446 ALA HB2 . 18535 1 908 . 1 1 83 83 ALA HB3 H 1 1.4 0.02 . 1 . . . A 446 ALA HB3 . 18535 1 909 . 1 1 83 83 ALA C C 13 175.46 0.30 . 1 . . . A 446 ALA C . 18535 1 910 . 1 1 83 83 ALA CA C 13 53.52 0.30 . 1 . . . A 446 ALA CA . 18535 1 911 . 1 1 83 83 ALA CB C 13 18.5 0.30 . 1 . . . A 446 ALA CB . 18535 1 912 . 1 1 83 83 ALA N N 15 119.78 0.30 . 1 . . . A 446 ALA N . 18535 1 913 . 1 1 84 84 ALA H H 1 7.31 0.02 . 1 . . . A 447 ALA H . 18535 1 914 . 1 1 84 84 ALA HA H 1 4.23 0.02 . 1 . . . A 447 ALA HA . 18535 1 915 . 1 1 84 84 ALA HB1 H 1 1.34 0.02 . 1 . . . A 447 ALA HB1 . 18535 1 916 . 1 1 84 84 ALA HB2 H 1 1.34 0.02 . 1 . . . A 447 ALA HB2 . 18535 1 917 . 1 1 84 84 ALA HB3 H 1 1.34 0.02 . 1 . . . A 447 ALA HB3 . 18535 1 918 . 1 1 84 84 ALA C C 13 177.42 0.30 . 1 . . . A 447 ALA C . 18535 1 919 . 1 1 84 84 ALA CA C 13 52.27 0.30 . 1 . . . A 447 ALA CA . 18535 1 920 . 1 1 84 84 ALA CB C 13 19.09 0.30 . 1 . . . A 447 ALA CB . 18535 1 921 . 1 1 84 84 ALA N N 15 119.62 0.30 . 1 . . . A 447 ALA N . 18535 1 922 . 1 1 85 85 ILE H H 1 7.3 0.02 . 1 . . . A 448 ILE H . 18535 1 923 . 1 1 85 85 ILE HA H 1 4.24 0.02 . 1 . . . A 448 ILE HA . 18535 1 924 . 1 1 85 85 ILE HB H 1 1.74 0.02 . 1 . . . A 448 ILE HB . 18535 1 925 . 1 1 85 85 ILE HG12 H 1 1.08 0.02 . 9 . . . A 448 ILE HG12 . 18535 1 926 . 1 1 85 85 ILE HG13 H 1 1.32 0.02 . 9 . . . A 448 ILE HG13 . 18535 1 927 . 1 1 85 85 ILE HG21 H 1 0.84 0.02 . 1 . . . A 448 ILE HG21 . 18535 1 928 . 1 1 85 85 ILE HG22 H 1 0.84 0.02 . 1 . . . A 448 ILE HG22 . 18535 1 929 . 1 1 85 85 ILE HG23 H 1 0.84 0.02 . 1 . . . A 448 ILE HG23 . 18535 1 930 . 1 1 85 85 ILE HD11 H 1 0.59 0.02 . 1 . . . A 448 ILE HD11 . 18535 1 931 . 1 1 85 85 ILE HD12 H 1 0.59 0.02 . 1 . . . A 448 ILE HD12 . 18535 1 932 . 1 1 85 85 ILE HD13 H 1 0.59 0.02 . 1 . . . A 448 ILE HD13 . 18535 1 933 . 1 1 85 85 ILE CA C 13 58.96 0.30 . 1 . . . A 448 ILE CA . 18535 1 934 . 1 1 85 85 ILE CB C 13 38.01 0.30 . 1 . . . A 448 ILE CB . 18535 1 935 . 1 1 85 85 ILE CG2 C 13 16.13 0.30 . 1 . . . A 448 ILE CG2 . 18535 1 936 . 1 1 85 85 ILE CD1 C 13 12.58 0.30 . 1 . . . A 448 ILE CD1 . 18535 1 937 . 1 1 85 85 ILE N N 15 121.06 0.30 . 1 . . . A 448 ILE N . 18535 1 938 . 1 1 86 86 PRO C C 13 176.99 0.30 . 1 . . . A 449 PRO C . 18535 1 939 . 1 1 86 86 PRO CA C 13 63.1 0.30 . 1 . . . A 449 PRO CA . 18535 1 940 . 1 1 86 86 PRO CB C 13 31.94 0.30 . 1 . . . A 449 PRO CB . 18535 1 941 . 1 1 86 86 PRO CG C 13 26.84 0.30 . 1 . . . A 449 PRO CG . 18535 1 942 . 1 1 86 86 PRO CD C 13 50.9 0.30 . 1 . . . A 449 PRO CD . 18535 1 943 . 1 1 87 87 ARG H H 1 8.4 0.02 . 1 . . . A 450 ARG H . 18535 1 944 . 1 1 87 87 ARG HA H 1 4.36 0.02 . 1 . . . A 450 ARG HA . 18535 1 945 . 1 1 87 87 ARG HB2 H 1 1.78 0.02 . 2 . . . A 450 ARG HB2 . 18535 1 946 . 1 1 87 87 ARG HB3 H 1 1.87 0.02 . 2 . . . A 450 ARG HB3 . 18535 1 947 . 1 1 87 87 ARG HG2 H 1 1.64 0.02 . 2 . . . A 450 ARG HG2 . 18535 1 948 . 1 1 87 87 ARG HG3 H 1 1.64 0.02 . 2 . . . A 450 ARG HG3 . 18535 1 949 . 1 1 87 87 ARG C C 13 176.56 0.30 . 1 . . . A 450 ARG C . 18535 1 950 . 1 1 87 87 ARG CA C 13 56.22 0.30 . 1 . . . A 450 ARG CA . 18535 1 951 . 1 1 87 87 ARG CB C 13 30.86 0.30 . 1 . . . A 450 ARG CB . 18535 1 952 . 1 1 87 87 ARG CG C 13 27.4 0.30 . 1 . . . A 450 ARG CG . 18535 1 953 . 1 1 87 87 ARG CD C 13 43.46 0.30 . 1 . . . A 450 ARG CD . 18535 1 954 . 1 1 87 87 ARG N N 15 121.79 0.30 . 1 . . . A 450 ARG N . 18535 1 955 . 1 1 88 88 SER H H 1 8.33 0.02 . 1 . . . A 451 SER H . 18535 1 956 . 1 1 88 88 SER HA H 1 4.57 0.02 . 1 . . . A 451 SER HA . 18535 1 957 . 1 1 88 88 SER HB2 H 1 3.86 0.02 . 2 . . . A 451 SER HB2 . 18535 1 958 . 1 1 88 88 SER HB3 H 1 3.86 0.02 . 2 . . . A 451 SER HB3 . 18535 1 959 . 1 1 88 88 SER C C 13 174.47 0.30 . 1 . . . A 451 SER C . 18535 1 960 . 1 1 88 88 SER CA C 13 58.49 0.30 . 1 . . . A 451 SER CA . 18535 1 961 . 1 1 88 88 SER CB C 13 63.81 0.30 . 1 . . . A 451 SER CB . 18535 1 962 . 1 1 88 88 SER N N 15 116.62 0.30 . 1 . . . A 451 SER N . 18535 1 963 . 1 1 89 89 GLU H H 1 8.39 0.02 . 1 . . . A 452 GLU H . 18535 1 964 . 1 1 89 89 GLU HA H 1 4.4 0.02 . 1 . . . A 452 GLU HA . 18535 1 965 . 1 1 89 89 GLU HB2 H 1 1.9 0.02 . 2 . . . A 452 GLU HB2 . 18535 1 966 . 1 1 89 89 GLU HB3 H 1 2.19 0.02 . 2 . . . A 452 GLU HB3 . 18535 1 967 . 1 1 89 89 GLU C C 13 175.56 0.30 . 1 . . . A 452 GLU C . 18535 1 968 . 1 1 89 89 GLU CA C 13 56.59 0.30 . 1 . . . A 452 GLU CA . 18535 1 969 . 1 1 89 89 GLU CB C 13 30.34 0.30 . 1 . . . A 452 GLU CB . 18535 1 970 . 1 1 89 89 GLU CG C 13 36.03 0.30 . 1 . . . A 452 GLU CG . 18535 1 971 . 1 1 89 89 GLU N N 15 123.06 0.30 . 1 . . . A 452 GLU N . 18535 1 972 . 1 1 90 90 SER H H 1 7.91 0.02 . 1 . . . A 453 SER H . 18535 1 973 . 1 1 90 90 SER HA H 1 4.26 0.02 . 1 . . . A 453 SER HA . 18535 1 974 . 1 1 90 90 SER HB2 H 1 3.83 0.02 . 2 . . . A 453 SER HB2 . 18535 1 975 . 1 1 90 90 SER HB3 H 1 3.83 0.02 . 2 . . . A 453 SER HB3 . 18535 1 976 . 1 1 90 90 SER CA C 13 60.07 0.30 . 1 . . . A 453 SER CA . 18535 1 977 . 1 1 90 90 SER CB C 13 64.71 0.30 . 1 . . . A 453 SER CB . 18535 1 978 . 1 1 90 90 SER N N 15 121.75 0.30 . 1 . . . A 453 SER N . 18535 1 stop_ save_