data_17490 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17490 _Entry.Title ; Solution Structure of the C-terminal domain of Prp24 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-25 _Entry.Accession_date 2011-02-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'The solution structure of the C-terminal domain of Prp24, containing an RRM with flanking alpha helices.' _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 Stephen Martin-Tumasz . A. . 17490 2 Samuel Butcher . E. . 17490 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' . 17490 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Prp24 . 17490 RRM . 17490 Splicing . 17490 'U6 snRNP' . 17490 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17490 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 492 17490 '15N chemical shifts' 121 17490 '1H chemical shifts' 807 17490 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-08 2011-02-25 update BMRB 'update entry citation' 17490 1 . . 2011-06-22 2011-02-25 original author 'original release' 17490 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16230 'Prp24-2 + RNA' 17490 BMRB 16243 Prp24-23 17490 BMRB 16244 'Prp24-23 + RNA' 17490 BMRB 16246 Prp24-2 17490 BMRB 7070 Prp24-12 17490 PDB 2ghp Prp24-123 17490 PDB 2go9 Prp24-12 17490 PDB 2kh9 'Prp24-2 + RNA' 17490 PDB 2L9W 'BMRB Entry Tracking System' 17490 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17490 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21653550 _Citation.Full_citation . _Citation.Title 'A novel occluded RNA recognition motif in Prp24 unwinds the U6 RNA internal stem loop.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 39 _Citation.Journal_issue 17 _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 7837 _Citation.Page_last 7847 _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 Stephen Martin-Tumasz . . . 17490 1 2 Ashley Richie . C. . 17490 1 3 Lawrence Clos . J. 2nd 17490 1 4 David Brow . A. . 17490 1 5 Samuel Butcher . E. . 17490 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17490 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of Prp24' _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 L4W 1 $L4W A . yes native no no . . . 17490 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_L4W _Entity.Sf_category entity _Entity.Sf_framecode L4W _Entity.Entry_ID 17490 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name L4W _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 ; MFLERNEVKRLLASRNSKEL ETLICLFPLSDKVSPSLICQ FLQEEIHINEKDIRKILLVS DFNGAIIIFRDSKFAAKMLM ILNGSQFQGKVIRSGTINDM KRYYNNQQNHWHHHHHH ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Residues 292-400 of Prp24, plus non-natural N-terminal Methionine, C-terminal Tryptophan and 6x his tag' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12568.729 _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 17491 . L4C . . . . . 97.44 162 97.37 97.37 6.15e-72 . . . . 17490 1 2 no PDB 2L9W . "Solution Structure Of The C-Terminal Domain Of Prp24" . . . . . 100.00 117 100.00 100.00 2.20e-79 . . . . 17490 1 3 no PDB 4N0T . "Core Structure Of The U6 Small Nuclear Ribonucleoprotein At 1.7 Angstrom Resolution" . . . . . 98.29 374 99.13 99.13 1.46e-73 . . . . 17490 1 4 no DBJ GAA25719 . "K7_Prp24p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 93.16 444 98.17 100.00 1.15e-67 . . . . 17490 1 5 no EMBL CAA89251 . "U6sNRPp [Saccharomyces cerevisiae]" . . . . . 96.58 444 97.35 97.35 6.75e-69 . . . . 17490 1 6 no EMBL CAY82100 . "Prp24p [Saccharomyces cerevisiae EC1118]" . . . . . 96.58 444 97.35 97.35 6.75e-69 . . . . 17490 1 7 no GB AAU09775 . "YMR268C [Saccharomyces cerevisiae]" . . . . . 96.58 444 97.35 97.35 7.28e-69 . . . . 17490 1 8 no GB AHY76723 . "Prp24p [Saccharomyces cerevisiae YJM993]" . . . . . 96.58 444 97.35 97.35 6.75e-69 . . . . 17490 1 9 no GB AJP40962 . "Prp24p [Saccharomyces cerevisiae YJM1078]" . . . . . 96.58 444 97.35 97.35 6.68e-69 . . . . 17490 1 10 no GB AJS62134 . "Prp24p [Saccharomyces cerevisiae YJM189]" . . . . . 96.58 444 97.35 97.35 6.75e-69 . . . . 17490 1 11 no GB AJS62569 . "Prp24p [Saccharomyces cerevisiae YJM193]" . . . . . 96.58 444 97.35 97.35 6.82e-69 . . . . 17490 1 12 no REF NP_013995 . "U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" . . . . . 96.58 444 97.35 97.35 6.75e-69 . . . . 17490 1 13 no SP P49960 . "RecName: Full=U4/U6 snRNA-associated-splicing factor PRP24; Short=U4/U6 snRNP protein" . . . . . 96.58 444 97.35 97.35 6.75e-69 . . . . 17490 1 14 no TPG DAA10168 . "TPA: U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" . . . . . 96.58 444 97.35 97.35 6.75e-69 . . . . 17490 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 1 291 MET . 17490 1 2 292 PHE . 17490 1 3 293 LEU . 17490 1 4 294 GLU . 17490 1 5 295 ARG . 17490 1 6 296 ASN . 17490 1 7 297 GLU . 17490 1 8 298 VAL . 17490 1 9 299 LYS . 17490 1 10 300 ARG . 17490 1 11 301 LEU . 17490 1 12 302 LEU . 17490 1 13 303 ALA . 17490 1 14 304 SER . 17490 1 15 305 ARG . 17490 1 16 306 ASN . 17490 1 17 307 SER . 17490 1 18 308 LYS . 17490 1 19 309 GLU . 17490 1 20 310 LEU . 17490 1 21 311 GLU . 17490 1 22 312 THR . 17490 1 23 313 LEU . 17490 1 24 314 ILE . 17490 1 25 315 CYS . 17490 1 26 316 LEU . 17490 1 27 317 PHE . 17490 1 28 318 PRO . 17490 1 29 319 LEU . 17490 1 30 320 SER . 17490 1 31 321 ASP . 17490 1 32 322 LYS . 17490 1 33 323 VAL . 17490 1 34 324 SER . 17490 1 35 325 PRO . 17490 1 36 326 SER . 17490 1 37 327 LEU . 17490 1 38 328 ILE . 17490 1 39 329 CYS . 17490 1 40 330 GLN . 17490 1 41 331 PHE . 17490 1 42 332 LEU . 17490 1 43 333 GLN . 17490 1 44 334 GLU . 17490 1 45 335 GLU . 17490 1 46 336 ILE . 17490 1 47 337 HIS . 17490 1 48 338 ILE . 17490 1 49 339 ASN . 17490 1 50 340 GLU . 17490 1 51 341 LYS . 17490 1 52 342 ASP . 17490 1 53 343 ILE . 17490 1 54 344 ARG . 17490 1 55 345 LYS . 17490 1 56 346 ILE . 17490 1 57 347 LEU . 17490 1 58 348 LEU . 17490 1 59 349 VAL . 17490 1 60 350 SER . 17490 1 61 351 ASP . 17490 1 62 352 PHE . 17490 1 63 353 ASN . 17490 1 64 354 GLY . 17490 1 65 355 ALA . 17490 1 66 356 ILE . 17490 1 67 357 ILE . 17490 1 68 358 ILE . 17490 1 69 359 PHE . 17490 1 70 360 ARG . 17490 1 71 361 ASP . 17490 1 72 362 SER . 17490 1 73 363 LYS . 17490 1 74 364 PHE . 17490 1 75 365 ALA . 17490 1 76 366 ALA . 17490 1 77 367 LYS . 17490 1 78 368 MET . 17490 1 79 369 LEU . 17490 1 80 370 MET . 17490 1 81 371 ILE . 17490 1 82 372 LEU . 17490 1 83 373 ASN . 17490 1 84 374 GLY . 17490 1 85 375 SER . 17490 1 86 376 GLN . 17490 1 87 377 PHE . 17490 1 88 378 GLN . 17490 1 89 379 GLY . 17490 1 90 380 LYS . 17490 1 91 381 VAL . 17490 1 92 382 ILE . 17490 1 93 383 ARG . 17490 1 94 384 SER . 17490 1 95 385 GLY . 17490 1 96 386 THR . 17490 1 97 387 ILE . 17490 1 98 388 ASN . 17490 1 99 389 ASP . 17490 1 100 390 MET . 17490 1 101 391 LYS . 17490 1 102 392 ARG . 17490 1 103 393 TYR . 17490 1 104 394 TYR . 17490 1 105 395 ASN . 17490 1 106 396 ASN . 17490 1 107 397 GLN . 17490 1 108 398 GLN . 17490 1 109 399 ASN . 17490 1 110 400 HIS . 17490 1 111 401 TRP . 17490 1 112 402 HIS . 17490 1 113 403 HIS . 17490 1 114 404 HIS . 17490 1 115 405 HIS . 17490 1 116 406 HIS . 17490 1 117 407 HIS . 17490 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 . MET 1 1 17490 1 . PHE 2 2 17490 1 . LEU 3 3 17490 1 . GLU 4 4 17490 1 . ARG 5 5 17490 1 . ASN 6 6 17490 1 . GLU 7 7 17490 1 . VAL 8 8 17490 1 . LYS 9 9 17490 1 . ARG 10 10 17490 1 . LEU 11 11 17490 1 . LEU 12 12 17490 1 . ALA 13 13 17490 1 . SER 14 14 17490 1 . ARG 15 15 17490 1 . ASN 16 16 17490 1 . SER 17 17 17490 1 . LYS 18 18 17490 1 . GLU 19 19 17490 1 . LEU 20 20 17490 1 . GLU 21 21 17490 1 . THR 22 22 17490 1 . LEU 23 23 17490 1 . ILE 24 24 17490 1 . CYS 25 25 17490 1 . LEU 26 26 17490 1 . PHE 27 27 17490 1 . PRO 28 28 17490 1 . LEU 29 29 17490 1 . SER 30 30 17490 1 . ASP 31 31 17490 1 . LYS 32 32 17490 1 . VAL 33 33 17490 1 . SER 34 34 17490 1 . PRO 35 35 17490 1 . SER 36 36 17490 1 . LEU 37 37 17490 1 . ILE 38 38 17490 1 . CYS 39 39 17490 1 . GLN 40 40 17490 1 . PHE 41 41 17490 1 . LEU 42 42 17490 1 . GLN 43 43 17490 1 . GLU 44 44 17490 1 . GLU 45 45 17490 1 . ILE 46 46 17490 1 . HIS 47 47 17490 1 . ILE 48 48 17490 1 . ASN 49 49 17490 1 . GLU 50 50 17490 1 . LYS 51 51 17490 1 . ASP 52 52 17490 1 . ILE 53 53 17490 1 . ARG 54 54 17490 1 . LYS 55 55 17490 1 . ILE 56 56 17490 1 . LEU 57 57 17490 1 . LEU 58 58 17490 1 . VAL 59 59 17490 1 . SER 60 60 17490 1 . ASP 61 61 17490 1 . PHE 62 62 17490 1 . ASN 63 63 17490 1 . GLY 64 64 17490 1 . ALA 65 65 17490 1 . ILE 66 66 17490 1 . ILE 67 67 17490 1 . ILE 68 68 17490 1 . PHE 69 69 17490 1 . ARG 70 70 17490 1 . ASP 71 71 17490 1 . SER 72 72 17490 1 . LYS 73 73 17490 1 . PHE 74 74 17490 1 . ALA 75 75 17490 1 . ALA 76 76 17490 1 . LYS 77 77 17490 1 . MET 78 78 17490 1 . LEU 79 79 17490 1 . MET 80 80 17490 1 . ILE 81 81 17490 1 . LEU 82 82 17490 1 . ASN 83 83 17490 1 . GLY 84 84 17490 1 . SER 85 85 17490 1 . GLN 86 86 17490 1 . PHE 87 87 17490 1 . GLN 88 88 17490 1 . GLY 89 89 17490 1 . LYS 90 90 17490 1 . VAL 91 91 17490 1 . ILE 92 92 17490 1 . ARG 93 93 17490 1 . SER 94 94 17490 1 . GLY 95 95 17490 1 . THR 96 96 17490 1 . ILE 97 97 17490 1 . ASN 98 98 17490 1 . ASP 99 99 17490 1 . MET 100 100 17490 1 . LYS 101 101 17490 1 . ARG 102 102 17490 1 . TYR 103 103 17490 1 . TYR 104 104 17490 1 . ASN 105 105 17490 1 . ASN 106 106 17490 1 . GLN 107 107 17490 1 . GLN 108 108 17490 1 . ASN 109 109 17490 1 . HIS 110 110 17490 1 . TRP 111 111 17490 1 . HIS 112 112 17490 1 . HIS 113 113 17490 1 . HIS 114 114 17490 1 . HIS 115 115 17490 1 . HIS 116 116 17490 1 . HIS 117 117 17490 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 17490 _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 $L4W . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Prp24 . . . . 17490 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 17490 _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 $L4W . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pET-21b . . . . . . 17490 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15N_H2O _Sample.Entry_ID 17490 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 L4W '[U-99% 13C; U-99% 15N]' . . 1 $L4W . . 600 . . uM . . . . 17490 1 2 'potassium phosphate pH 6' 'natural abundance' . . . . . . 18 . . mM . . . . 17490 1 3 'potassium chloride' 'natural abundance' . . . . . . 45 . . mM . . . . 17490 1 4 DTT 'natural abundance' . . . . . . 0.9 . . mM . . . . 17490 1 5 H2O 'natural abundance' . . . . . . 9 . . % . . . . 17490 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17490 1 stop_ save_ save_13C15N_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15N_D2O _Sample.Entry_ID 17490 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 L4W '[U-99% 13C; U-99% 15N]' . . 1 $L4W . . 600 . . uM . . . . 17490 2 2 'potassium phosphate pH 6' '[U-99% 2H]' . . . . . . 18 . . mM . . . . 17490 2 3 'potassium chloride' '[U-99% 2H]' . . . . . . 45 . . mM . . . . 17490 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17490 2 stop_ save_ save_Reference _Sample.Sf_category sample _Sample.Sf_framecode Reference _Sample.Entry_ID 17490 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 L4W '[U-99% 13C; U-99% 15N]' . . 1 $L4W . . 600 . . uM . . . . 17490 3 2 'potassium phosphate pH 6' 'natural abundance' . . . . . . 18 . . mM . . . . 17490 3 3 'potassium chloride' 'natural abundance' . . . . . . 45 . . mM . . . . 17490 3 4 DSS 'natural abundance' . . . . . . 1 . . uM . . . . 17490 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17490 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17490 3 stop_ save_ save_Unlabeled_D2O _Sample.Sf_category sample _Sample.Sf_framecode Unlabeled_D2O _Sample.Entry_ID 17490 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 L4W 'natural abundance' . . 1 $L4W . . 600 . . uM . . . . 17490 4 2 'potassium phosphate pH 6' '[U-99% 2H]' . . . . . . 18 . . mM . . . . 17490 4 3 'potassium chloride' '[U-99% 2H]' . . . . . . 45 . . mM . . . . 17490 4 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17490 4 stop_ save_ save_Aligned _Sample.Sf_category sample _Sample.Sf_framecode Aligned _Sample.Entry_ID 17490 _Sample.ID 5 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 L4W '[U-99% 13C; U-99% 15N]' . . 1 $L4W . . 600 . . uM . . . . 17490 5 2 'potassium phosphate pH 6' 'natural abundance' . . . . . . 18 . . mM . . . . 17490 5 3 'potassium chloride' 'natural abundance' . . . . . . 45 . . mM . . . . 17490 5 4 DTT 'natural abundance' . . . . . . 0.9 . . mM . . . . 17490 5 5 'DMPC/DHPC q=3' 'natural abundance' . . . . . . 6.5 . . % . . . . 17490 5 6 CTAB 'natural abundance' . . . . . . 0.67 . . mg/mL . . . . 17490 5 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17490 5 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17490 5 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 17490 _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 pH 6 . pH 17490 1 pressure 1 . atm 17490 1 temperature 273 . K 17490 1 stop_ save_ save_RDCs _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode RDCs _Sample_condition_list.Entry_ID 17490 _Sample_condition_list.ID 2 _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 pH 6 . pH 17490 2 pressure 1 . atm 17490 2 temperature 273 . K 17490 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17490 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17490 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17490 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17490 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17490 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17490 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17490 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17490 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17490 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17490 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17490 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17490 4 'data analysis' 17490 4 'peak picking' 17490 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17490 _Software.ID 5 _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' . . 17490 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17490 5 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 17490 _Software.ID 6 _Software.Name HADDOCK _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' . . 17490 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17490 6 refinement 17490 6 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17490 _Software.ID 7 _Software.Name UNIO _Software.Version 08 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Torsten Herrmann' . . 17490 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17490 7 stop_ save_ save_nmr_structure_tools _Software.Sf_category software _Software.Sf_framecode nmr_structure_tools _Software.Entry_ID 17490 _Software.ID 8 _Software.Name nmr_structure_tools _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lawrence J Clos' . . 17490 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17490 8 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 17490 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17490 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17490 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17490 _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 Varian 'Uniform NMR System' . 600 . . . 17490 1 2 spectrometer_2 Bruker DMX . 750 . . . 17490 1 3 spectrometer_3 Varian 'Uniform NMR System' . 900 . . . 17490 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 17490 _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 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 4 '3D HNCACB' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 5 '3D HNCO' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17490 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17490 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17490 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $Unlabeled_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 15 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $Reference isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17490 1 16 2D-NHSQC-IPAP no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 2 $RDCs . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17490 1 17 2D-NHSQC-IPAP no . . . . . . . . . . 5 $Aligned anisotropic . . 2 $RDCs . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17490 1 18 3D-Jmodulated-CHSQC no . . . . . . . . . . 1 $13C15N_H2O isotropic . . 2 $RDCs . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17490 1 19 3D-Jmodulated-CHSQC no . . . . . . . . . . 5 $Aligned anisotropic . . 2 $RDCs . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17490 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 17490 _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 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17490 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17490 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17490 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 17490 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17490 1 2 '3D CBCA(CO)NH' . . . 17490 1 3 '3D 1H-15N NOESY' . . . 17490 1 4 '3D HNCACB' . . . 17490 1 5 '3D HNCO' . . . 17490 1 6 '3D HBHA(CO)NH' . . . 17490 1 7 '3D C(CO)NH' . . . 17490 1 8 '3D H(CCO)NH' . . . 17490 1 9 '2D 1H-13C HSQC aliphatic' . . . 17490 1 10 '2D 1H-13C HSQC aromatic' . . . 17490 1 11 '2D 1H-1H NOESY' . . . 17490 1 12 '3D HCCH-TOCSY' . . . 17490 1 13 '3D 1H-13C NOESY aliphatic' . . . 17490 1 14 '3D 1H-13C NOESY aromatic' . . . 17490 1 15 '2D 1H-13C HSQC aliphatic' . . . 17490 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 PHE HA H 1 4.673 0.01 . 1 . . . A 292 PHE HA . 17490 1 2 . 1 1 2 2 PHE HB2 H 1 3.108 0.008 . 2 . . . A 292 PHE HB2 . 17490 1 3 . 1 1 2 2 PHE HB3 H 1 3.108 0.008 . 2 . . . A 292 PHE HB3 . 17490 1 4 . 1 1 2 2 PHE HD1 H 1 7.287 0.005 . 3 . . . A 292 PHE HD1 . 17490 1 5 . 1 1 2 2 PHE HD2 H 1 7.287 0.005 . 3 . . . A 292 PHE HD2 . 17490 1 6 . 1 1 2 2 PHE HE1 H 1 6.28 0.007 . 3 . . . A 292 PHE HE1 . 17490 1 7 . 1 1 2 2 PHE HE2 H 1 6.28 0.007 . 3 . . . A 292 PHE HE2 . 17490 1 8 . 1 1 2 2 PHE C C 13 175.325 0 . . . . . A 292 PHE C . 17490 1 9 . 1 1 2 2 PHE CA C 13 58.074 0.085 . 1 . . . A 292 PHE CA . 17490 1 10 . 1 1 2 2 PHE CB C 13 39.38 0.048 . 1 . . . A 292 PHE CB . 17490 1 11 . 1 1 2 2 PHE CD1 C 13 129.857 0 . . . . . A 292 PHE CD1 . 17490 1 12 . 1 1 2 2 PHE CD2 C 13 129.857 0 . . . . . A 292 PHE CD2 . 17490 1 13 . 1 1 2 2 PHE CE1 C 13 131.325 0 . . . . . A 292 PHE CE1 . 17490 1 14 . 1 1 2 2 PHE CE2 C 13 131.325 0 . . . . . A 292 PHE CE2 . 17490 1 15 . 1 1 3 3 LEU H H 1 8.321 0.006 . 1 . . . A 293 LEU H . 17490 1 16 . 1 1 3 3 LEU HA H 1 4.292 0.01 . 1 . . . A 293 LEU HA . 17490 1 17 . 1 1 3 3 LEU HB2 H 1 1.594 0.02 . 2 . . . A 293 LEU HB2 . 17490 1 18 . 1 1 3 3 LEU HB3 H 1 1.543 0.018 . 2 . . . A 293 LEU HB3 . 17490 1 19 . 1 1 3 3 LEU HG H 1 1.538 0.002 . 1 . . . A 293 LEU HG . 17490 1 20 . 1 1 3 3 LEU HD11 H 1 0.891 0 . 2 . . . A 293 LEU HD11 . 17490 1 21 . 1 1 3 3 LEU HD12 H 1 0.891 0 . 2 . . . A 293 LEU HD12 . 17490 1 22 . 1 1 3 3 LEU HD13 H 1 0.891 0 . 2 . . . A 293 LEU HD13 . 17490 1 23 . 1 1 3 3 LEU HD21 H 1 0.877 0.006 . 2 . . . A 293 LEU HD21 . 17490 1 24 . 1 1 3 3 LEU HD22 H 1 0.877 0.006 . 2 . . . A 293 LEU HD22 . 17490 1 25 . 1 1 3 3 LEU HD23 H 1 0.877 0.006 . 2 . . . A 293 LEU HD23 . 17490 1 26 . 1 1 3 3 LEU C C 13 177.442 0 . . . . . A 293 LEU C . 17490 1 27 . 1 1 3 3 LEU CA C 13 55.523 0.048 . 1 . . . A 293 LEU CA . 17490 1 28 . 1 1 3 3 LEU CB C 13 42.516 0.051 . 1 . . . A 293 LEU CB . 17490 1 29 . 1 1 3 3 LEU CG C 13 26.963 0.006 . 1 . . . A 293 LEU CG . 17490 1 30 . 1 1 3 3 LEU CD1 C 13 24.919 0.001 . 2 . . . A 293 LEU CD1 . 17490 1 31 . 1 1 3 3 LEU CD2 C 13 23.803 0.15 . 2 . . . A 293 LEU CD2 . 17490 1 32 . 1 1 3 3 LEU N N 15 125.082 0.046 . 1 . . . A 293 LEU N . 17490 1 33 . 1 1 4 4 GLU H H 1 8.521 0.006 . 1 . . . A 294 GLU H . 17490 1 34 . 1 1 4 4 GLU HA H 1 4.069 0.001 . 1 . . . A 294 GLU HA . 17490 1 35 . 1 1 4 4 GLU HB2 H 1 2.058 0.004 . 2 . . . A 294 GLU HB2 . 17490 1 36 . 1 1 4 4 GLU HB3 H 1 2.058 0.004 . 2 . . . A 294 GLU HB3 . 17490 1 37 . 1 1 4 4 GLU HG2 H 1 2.283 0.005 . 2 . . . A 294 GLU HG2 . 17490 1 38 . 1 1 4 4 GLU HG3 H 1 2.283 0.005 . 2 . . . A 294 GLU HG3 . 17490 1 39 . 1 1 4 4 GLU C C 13 177.158 0 . . . . . A 294 GLU C . 17490 1 40 . 1 1 4 4 GLU CA C 13 58.307 0.074 . 1 . . . A 294 GLU CA . 17490 1 41 . 1 1 4 4 GLU CB C 13 29.676 0.073 . 1 . . . A 294 GLU CB . 17490 1 42 . 1 1 4 4 GLU CG C 13 36.955 0.041 . 1 . . . A 294 GLU CG . 17490 1 43 . 1 1 4 4 GLU N N 15 122.906 0.042 . 1 . . . A 294 GLU N . 17490 1 44 . 1 1 5 5 ARG H H 1 8.327 0.006 . 1 . . . A 295 ARG H . 17490 1 45 . 1 1 5 5 ARG HA H 1 4.131 0.008 . 1 . . . A 295 ARG HA . 17490 1 46 . 1 1 5 5 ARG HB2 H 1 1.848 0.004 . 2 . . . A 295 ARG HB2 . 17490 1 47 . 1 1 5 5 ARG HB3 H 1 1.848 0.004 . 2 . . . A 295 ARG HB3 . 17490 1 48 . 1 1 5 5 ARG HG2 H 1 1.66 0.006 . 2 . . . A 295 ARG HG2 . 17490 1 49 . 1 1 5 5 ARG HG3 H 1 1.66 0.006 . 2 . . . A 295 ARG HG3 . 17490 1 50 . 1 1 5 5 ARG HD2 H 1 3.187 0.01 . 2 . . . A 295 ARG HD2 . 17490 1 51 . 1 1 5 5 ARG HD3 H 1 3.187 0.01 . 2 . . . A 295 ARG HD3 . 17490 1 52 . 1 1 5 5 ARG C C 13 177.768 0 . . . . . A 295 ARG C . 17490 1 53 . 1 1 5 5 ARG CA C 13 58.082 0.145 . 1 . . . A 295 ARG CA . 17490 1 54 . 1 1 5 5 ARG CB C 13 30.192 0.135 . 1 . . . A 295 ARG CB . 17490 1 55 . 1 1 5 5 ARG CG C 13 27.247 0.016 . 1 . . . A 295 ARG CG . 17490 1 56 . 1 1 5 5 ARG CD C 13 43.178 0.101 . 1 . . . A 295 ARG CD . 17490 1 57 . 1 1 5 5 ARG N N 15 120.27 0.041 . 1 . . . A 295 ARG N . 17490 1 58 . 1 1 6 6 ASN H H 1 8.257 0.009 . 1 . . . A 296 ASN H . 17490 1 59 . 1 1 6 6 ASN HA H 1 4.554 0.009 . 1 . . . A 296 ASN HA . 17490 1 60 . 1 1 6 6 ASN HB2 H 1 2.847 0.006 . 2 . . . A 296 ASN HB2 . 17490 1 61 . 1 1 6 6 ASN HB3 H 1 2.847 0.006 . 2 . . . A 296 ASN HB3 . 17490 1 62 . 1 1 6 6 ASN HD21 H 1 7.748 0 . 2 . . . A 296 ASN HD21 . 17490 1 63 . 1 1 6 6 ASN HD22 H 1 7.024 0 . 2 . . . A 296 ASN HD22 . 17490 1 64 . 1 1 6 6 ASN C C 13 176.83 0 . . . . . A 296 ASN C . 17490 1 65 . 1 1 6 6 ASN CA C 13 54.901 0.072 . 1 . . . A 296 ASN CA . 17490 1 66 . 1 1 6 6 ASN CB C 13 38.115 0.069 . 1 . . . A 296 ASN CB . 17490 1 67 . 1 1 6 6 ASN N N 15 118.639 0.047 . 1 . . . A 296 ASN N . 17490 1 68 . 1 1 6 6 ASN ND2 N 15 112.891 0 . 1 . . . A 296 ASN ND2 . 17490 1 69 . 1 1 7 7 GLU H H 1 8.185 0.009 . 1 . . . A 297 GLU H . 17490 1 70 . 1 1 7 7 GLU HA H 1 4.266 0.012 . 1 . . . A 297 GLU HA . 17490 1 71 . 1 1 7 7 GLU HB2 H 1 1.952 0.008 . 2 . . . A 297 GLU HB2 . 17490 1 72 . 1 1 7 7 GLU HB3 H 1 1.952 0.008 . 2 . . . A 297 GLU HB3 . 17490 1 73 . 1 1 7 7 GLU HG2 H 1 2.199 0.006 . 2 . . . A 297 GLU HG2 . 17490 1 74 . 1 1 7 7 GLU HG3 H 1 2.199 0.006 . 2 . . . A 297 GLU HG3 . 17490 1 75 . 1 1 7 7 GLU C C 13 178.102 0 . . . . . A 297 GLU C . 17490 1 76 . 1 1 7 7 GLU CA C 13 58.897 0.074 . 1 . . . A 297 GLU CA . 17490 1 77 . 1 1 7 7 GLU CB C 13 29.814 0.098 . 1 . . . A 297 GLU CB . 17490 1 78 . 1 1 7 7 GLU CG C 13 35.509 0.043 . 1 . . . A 297 GLU CG . 17490 1 79 . 1 1 7 7 GLU N N 15 123.935 0.034 . 1 . . . A 297 GLU N . 17490 1 80 . 1 1 8 8 VAL H H 1 8.095 0.006 . 1 . . . A 298 VAL H . 17490 1 81 . 1 1 8 8 VAL HA H 1 3.399 0.01 . 1 . . . A 298 VAL HA . 17490 1 82 . 1 1 8 8 VAL HB H 1 2.2 0.004 . 1 . . . A 298 VAL HB . 17490 1 83 . 1 1 8 8 VAL HG11 H 1 1.128 0.009 . . . . . A 298 VAL HG11 . 17490 1 84 . 1 1 8 8 VAL HG12 H 1 1.128 0.009 . . . . . A 298 VAL HG12 . 17490 1 85 . 1 1 8 8 VAL HG13 H 1 1.128 0.009 . . . . . A 298 VAL HG13 . 17490 1 86 . 1 1 8 8 VAL HG21 H 1 0.998 0.004 . 2 . . . A 298 VAL HG21 . 17490 1 87 . 1 1 8 8 VAL HG22 H 1 0.998 0.004 . 2 . . . A 298 VAL HG22 . 17490 1 88 . 1 1 8 8 VAL HG23 H 1 0.998 0.004 . 2 . . . A 298 VAL HG23 . 17490 1 89 . 1 1 8 8 VAL C C 13 177.131 0 . . . . . A 298 VAL C . 17490 1 90 . 1 1 8 8 VAL CA C 13 67.619 0.078 . 1 . . . A 298 VAL CA . 17490 1 91 . 1 1 8 8 VAL CB C 13 32.041 0.019 . 1 . . . A 298 VAL CB . 17490 1 92 . 1 1 8 8 VAL CG1 C 13 24.947 0.101 . . . . . A 298 VAL CG1 . 17490 1 93 . 1 1 8 8 VAL CG2 C 13 22.628 0.022 . 2 . . . A 298 VAL CG2 . 17490 1 94 . 1 1 8 8 VAL N N 15 118.916 0.08 . 1 . . . A 298 VAL N . 17490 1 95 . 1 1 9 9 LYS H H 1 7.771 0.01 . 1 . . . A 299 LYS H . 17490 1 96 . 1 1 9 9 LYS HA H 1 3.804 0.007 . 1 . . . A 299 LYS HA . 17490 1 97 . 1 1 9 9 LYS HB2 H 1 1.828 0.007 . 2 . . . A 299 LYS HB2 . 17490 1 98 . 1 1 9 9 LYS HB3 H 1 1.828 0.007 . 2 . . . A 299 LYS HB3 . 17490 1 99 . 1 1 9 9 LYS HG2 H 1 1.561 0.003 . 2 . . . A 299 LYS HG2 . 17490 1 100 . 1 1 9 9 LYS HG3 H 1 1.378 0.008 . 2 . . . A 299 LYS HG3 . 17490 1 101 . 1 1 9 9 LYS HD2 H 1 1.659 0.004 . 2 . . . A 299 LYS HD2 . 17490 1 102 . 1 1 9 9 LYS HD3 H 1 1.659 0.004 . 2 . . . A 299 LYS HD3 . 17490 1 103 . 1 1 9 9 LYS HE2 H 1 2.945 0 . 2 . . . A 299 LYS HE2 . 17490 1 104 . 1 1 9 9 LYS HE3 H 1 2.945 0 . 2 . . . A 299 LYS HE3 . 17490 1 105 . 1 1 9 9 LYS C C 13 179.259 0 . . . . . A 299 LYS C . 17490 1 106 . 1 1 9 9 LYS CA C 13 59.806 0.065 . 1 . . . A 299 LYS CA . 17490 1 107 . 1 1 9 9 LYS CB C 13 32.29 0.059 . 1 . . . A 299 LYS CB . 17490 1 108 . 1 1 9 9 LYS CG C 13 25.457 0.091 . 1 . . . A 299 LYS CG . 17490 1 109 . 1 1 9 9 LYS CD C 13 29.277 0.083 . 1 . . . A 299 LYS CD . 17490 1 110 . 1 1 9 9 LYS CE C 13 39.467 0 . 1 . . . A 299 LYS CE . 17490 1 111 . 1 1 9 9 LYS N N 15 117.791 0.091 . 1 . . . A 299 LYS N . 17490 1 112 . 1 1 10 10 ARG H H 1 7.834 0.007 . 1 . . . A 300 ARG H . 17490 1 113 . 1 1 10 10 ARG HA H 1 3.934 0.004 . 1 . . . A 300 ARG HA . 17490 1 114 . 1 1 10 10 ARG HB2 H 1 1.969 0.01 . 2 . . . A 300 ARG HB2 . 17490 1 115 . 1 1 10 10 ARG HB3 H 1 1.818 0.007 . 2 . . . A 300 ARG HB3 . 17490 1 116 . 1 1 10 10 ARG HG2 H 1 1.468 0.001 . 2 . . . A 300 ARG HG2 . 17490 1 117 . 1 1 10 10 ARG HG3 H 1 1.468 0.001 . 2 . . . A 300 ARG HG3 . 17490 1 118 . 1 1 10 10 ARG HD2 H 1 3.031 0.01 . 2 . . . A 300 ARG HD2 . 17490 1 119 . 1 1 10 10 ARG HD3 H 1 3.031 0.01 . 2 . . . A 300 ARG HD3 . 17490 1 120 . 1 1 10 10 ARG C C 13 179.68 0 . . . . . A 300 ARG C . 17490 1 121 . 1 1 10 10 ARG CA C 13 59.444 0.065 . 1 . . . A 300 ARG CA . 17490 1 122 . 1 1 10 10 ARG CB C 13 30.19 0.08 . 1 . . . A 300 ARG CB . 17490 1 123 . 1 1 10 10 ARG CG C 13 27.265 0.093 . 1 . . . A 300 ARG CG . 17490 1 124 . 1 1 10 10 ARG CD C 13 42.867 0.234 . 1 . . . A 300 ARG CD . 17490 1 125 . 1 1 10 10 ARG N N 15 119.032 0.049 . 1 . . . A 300 ARG N . 17490 1 126 . 1 1 11 11 LEU H H 1 8.147 0.005 . 1 . . . A 301 LEU H . 17490 1 127 . 1 1 11 11 LEU HA H 1 3.89 0.006 . 1 . . . A 301 LEU HA . 17490 1 128 . 1 1 11 11 LEU HB2 H 1 1.802 0.009 . 2 . . . A 301 LEU HB2 . 17490 1 129 . 1 1 11 11 LEU HB3 H 1 1.114 0.005 . 2 . . . A 301 LEU HB3 . 17490 1 130 . 1 1 11 11 LEU HG H 1 1.704 0.017 . 1 . . . A 301 LEU HG . 17490 1 131 . 1 1 11 11 LEU HD11 H 1 0.691 0 . . . . . A 301 LEU HD11 . 17490 1 132 . 1 1 11 11 LEU HD12 H 1 0.691 0 . . . . . A 301 LEU HD12 . 17490 1 133 . 1 1 11 11 LEU HD13 H 1 0.691 0 . . . . . A 301 LEU HD13 . 17490 1 134 . 1 1 11 11 LEU HD21 H 1 0.733 0.015 . 2 . . . A 301 LEU HD21 . 17490 1 135 . 1 1 11 11 LEU HD22 H 1 0.733 0.015 . 2 . . . A 301 LEU HD22 . 17490 1 136 . 1 1 11 11 LEU HD23 H 1 0.733 0.015 . 2 . . . A 301 LEU HD23 . 17490 1 137 . 1 1 11 11 LEU C C 13 178.937 0 . . . . . A 301 LEU C . 17490 1 138 . 1 1 11 11 LEU CA C 13 58.067 0.072 . 1 . . . A 301 LEU CA . 17490 1 139 . 1 1 11 11 LEU CB C 13 42.051 0.067 . 1 . . . A 301 LEU CB . 17490 1 140 . 1 1 11 11 LEU CG C 13 22.416 0.01 . 1 . . . A 301 LEU CG . 17490 1 141 . 1 1 11 11 LEU CD2 C 13 26.355 0.158 . 2 . . . A 301 LEU CD2 . 17490 1 142 . 1 1 11 11 LEU N N 15 120.881 0.058 . 1 . . . A 301 LEU N . 17490 1 143 . 1 1 12 12 LEU H H 1 8.331 0.006 . 1 . . . A 302 LEU H . 17490 1 144 . 1 1 12 12 LEU HA H 1 3.874 0.008 . 1 . . . A 302 LEU HA . 17490 1 145 . 1 1 12 12 LEU HB2 H 1 1.838 0.007 . 2 . . . A 302 LEU HB2 . 17490 1 146 . 1 1 12 12 LEU HB3 H 1 1.407 0.007 . 2 . . . A 302 LEU HB3 . 17490 1 147 . 1 1 12 12 LEU HG H 1 1.903 0.002 . 1 . . . A 302 LEU HG . 17490 1 148 . 1 1 12 12 LEU HD11 H 1 0.869 0.003 . 2 . . . A 302 LEU HD11 . 17490 1 149 . 1 1 12 12 LEU HD12 H 1 0.869 0.003 . 2 . . . A 302 LEU HD12 . 17490 1 150 . 1 1 12 12 LEU HD13 H 1 0.869 0.003 . 2 . . . A 302 LEU HD13 . 17490 1 151 . 1 1 12 12 LEU HD21 H 1 0.679 0.01 . 2 . . . A 302 LEU HD21 . 17490 1 152 . 1 1 12 12 LEU HD22 H 1 0.679 0.01 . 2 . . . A 302 LEU HD22 . 17490 1 153 . 1 1 12 12 LEU HD23 H 1 0.679 0.01 . 2 . . . A 302 LEU HD23 . 17490 1 154 . 1 1 12 12 LEU C C 13 177.36 0 . . . . . A 302 LEU C . 17490 1 155 . 1 1 12 12 LEU CA C 13 57.498 0.075 . 1 . . . A 302 LEU CA . 17490 1 156 . 1 1 12 12 LEU CB C 13 41.506 0.117 . 1 . . . A 302 LEU CB . 17490 1 157 . 1 1 12 12 LEU CG C 13 27.293 0.121 . 1 . . . A 302 LEU CG . 17490 1 158 . 1 1 12 12 LEU CD1 C 13 25.869 0.059 . 2 . . . A 302 LEU CD1 . 17490 1 159 . 1 1 12 12 LEU CD2 C 13 23.085 0.192 . 2 . . . A 302 LEU CD2 . 17490 1 160 . 1 1 12 12 LEU N N 15 116.294 0.042 . 1 . . . A 302 LEU N . 17490 1 161 . 1 1 13 13 ALA H H 1 7.109 0.011 . 1 . . . A 303 ALA H . 17490 1 162 . 1 1 13 13 ALA HA H 1 4.48 0.005 . 1 . . . A 303 ALA HA . 17490 1 163 . 1 1 13 13 ALA HB1 H 1 1.396 0.005 . 1 . . . A 303 ALA HB1 . 17490 1 164 . 1 1 13 13 ALA HB2 H 1 1.396 0.005 . 1 . . . A 303 ALA HB2 . 17490 1 165 . 1 1 13 13 ALA HB3 H 1 1.396 0.005 . 1 . . . A 303 ALA HB3 . 17490 1 166 . 1 1 13 13 ALA C C 13 177.554 0 . . . . . A 303 ALA C . 17490 1 167 . 1 1 13 13 ALA CA C 13 51.29 0.092 . 1 . . . A 303 ALA CA . 17490 1 168 . 1 1 13 13 ALA CB C 13 19.81 0.07 . 1 . . . A 303 ALA CB . 17490 1 169 . 1 1 13 13 ALA N N 15 117.998 0.047 . 1 . . . A 303 ALA N . 17490 1 170 . 1 1 14 14 SER H H 1 7.265 0.01 . 1 . . . A 304 SER H . 17490 1 171 . 1 1 14 14 SER HA H 1 4.175 0.006 . 1 . . . A 304 SER HA . 17490 1 172 . 1 1 14 14 SER HB2 H 1 4.088 0.008 . 2 . . . A 304 SER HB2 . 17490 1 173 . 1 1 14 14 SER HB3 H 1 3.91 0.005 . 2 . . . A 304 SER HB3 . 17490 1 174 . 1 1 14 14 SER C C 13 175.762 0 . . . . . A 304 SER C . 17490 1 175 . 1 1 14 14 SER CA C 13 59.344 0.073 . 1 . . . A 304 SER CA . 17490 1 176 . 1 1 14 14 SER CB C 13 63.704 0.113 . 1 . . . A 304 SER CB . 17490 1 177 . 1 1 14 14 SER N N 15 114.833 0.04 . 1 . . . A 304 SER N . 17490 1 178 . 1 1 15 15 ARG H H 1 8.872 0.004 . 1 . . . A 305 ARG H . 17490 1 179 . 1 1 15 15 ARG HA H 1 4.555 0.01 . 1 . . . A 305 ARG HA . 17490 1 180 . 1 1 15 15 ARG HB2 H 1 2.115 0.012 . 2 . . . A 305 ARG HB2 . 17490 1 181 . 1 1 15 15 ARG HB3 H 1 1.635 0.007 . 2 . . . A 305 ARG HB3 . 17490 1 182 . 1 1 15 15 ARG HG2 H 1 1.685 0 . 2 . . . A 305 ARG HG2 . 17490 1 183 . 1 1 15 15 ARG HG3 H 1 1.614 0 . 2 . . . A 305 ARG HG3 . 17490 1 184 . 1 1 15 15 ARG HD2 H 1 3.218 0.009 . 2 . . . A 305 ARG HD2 . 17490 1 185 . 1 1 15 15 ARG HD3 H 1 3.218 0.009 . 2 . . . A 305 ARG HD3 . 17490 1 186 . 1 1 15 15 ARG C C 13 175.442 0 . . . . . A 305 ARG C . 17490 1 187 . 1 1 15 15 ARG CA C 13 54.847 0.05 . 1 . . . A 305 ARG CA . 17490 1 188 . 1 1 15 15 ARG CB C 13 30.415 0.058 . 1 . . . A 305 ARG CB . 17490 1 189 . 1 1 15 15 ARG CG C 13 26.994 0.009 . 1 . . . A 305 ARG CG . 17490 1 190 . 1 1 15 15 ARG CD C 13 43.225 0.037 . 1 . . . A 305 ARG CD . 17490 1 191 . 1 1 15 15 ARG N N 15 125.37 0.056 . 1 . . . A 305 ARG N . 17490 1 192 . 1 1 16 16 ASN H H 1 8.367 0.009 . 1 . . . A 306 ASN H . 17490 1 193 . 1 1 16 16 ASN HA H 1 4.774 0.007 . 1 . . . A 306 ASN HA . 17490 1 194 . 1 1 16 16 ASN HB2 H 1 3.032 0.013 . 2 . . . A 306 ASN HB2 . 17490 1 195 . 1 1 16 16 ASN HB3 H 1 2.736 0.022 . 2 . . . A 306 ASN HB3 . 17490 1 196 . 1 1 16 16 ASN HD21 H 1 7.85 0 . 2 . . . A 306 ASN HD21 . 17490 1 197 . 1 1 16 16 ASN HD22 H 1 6.995 0 . 2 . . . A 306 ASN HD22 . 17490 1 198 . 1 1 16 16 ASN C C 13 175.146 0 . . . . . A 306 ASN C . 17490 1 199 . 1 1 16 16 ASN CA C 13 52.434 0.128 . 1 . . . A 306 ASN CA . 17490 1 200 . 1 1 16 16 ASN CB C 13 38.294 0.107 . 1 . . . A 306 ASN CB . 17490 1 201 . 1 1 16 16 ASN N N 15 120.536 0.06 . 1 . . . A 306 ASN N . 17490 1 202 . 1 1 16 16 ASN ND2 N 15 114.278 0.002 . 1 . . . A 306 ASN ND2 . 17490 1 203 . 1 1 17 17 SER H H 1 8.656 0.005 . 1 . . . A 307 SER H . 17490 1 204 . 1 1 17 17 SER HA H 1 4.09 0.008 . 1 . . . A 307 SER HA . 17490 1 205 . 1 1 17 17 SER HB2 H 1 3.961 0.003 . 2 . . . A 307 SER HB2 . 17490 1 206 . 1 1 17 17 SER HB3 H 1 3.961 0.003 . 2 . . . A 307 SER HB3 . 17490 1 207 . 1 1 17 17 SER C C 13 175.97 0 . . . . . A 307 SER C . 17490 1 208 . 1 1 17 17 SER CA C 13 61.484 0.056 . 1 . . . A 307 SER CA . 17490 1 209 . 1 1 17 17 SER CB C 13 62.85 0.087 . 1 . . . A 307 SER CB . 17490 1 210 . 1 1 17 17 SER N N 15 121.694 0.059 . 1 . . . A 307 SER N . 17490 1 211 . 1 1 18 18 LYS H H 1 8.06 0.011 . 1 . . . A 308 LYS H . 17490 1 212 . 1 1 18 18 LYS HA H 1 4.115 0.011 . 1 . . . A 308 LYS HA . 17490 1 213 . 1 1 18 18 LYS HB2 H 1 1.902 0 . 2 . . . A 308 LYS HB2 . 17490 1 214 . 1 1 18 18 LYS HB3 H 1 1.867 0.007 . 2 . . . A 308 LYS HB3 . 17490 1 215 . 1 1 18 18 LYS HG2 H 1 1.538 0.011 . 2 . . . A 308 LYS HG2 . 17490 1 216 . 1 1 18 18 LYS HG3 H 1 1.49 0.006 . 2 . . . A 308 LYS HG3 . 17490 1 217 . 1 1 18 18 LYS HD2 H 1 1.703 0.007 . 2 . . . A 308 LYS HD2 . 17490 1 218 . 1 1 18 18 LYS HD3 H 1 1.703 0.007 . 2 . . . A 308 LYS HD3 . 17490 1 219 . 1 1 18 18 LYS HE2 H 1 2.992 0.005 . 2 . . . A 308 LYS HE2 . 17490 1 220 . 1 1 18 18 LYS HE3 H 1 2.992 0.005 . 2 . . . A 308 LYS HE3 . 17490 1 221 . 1 1 18 18 LYS C C 13 178.999 0 . . . . . A 308 LYS C . 17490 1 222 . 1 1 18 18 LYS CA C 13 58.606 0.068 . 1 . . . A 308 LYS CA . 17490 1 223 . 1 1 18 18 LYS CB C 13 31.614 0.075 . 1 . . . A 308 LYS CB . 17490 1 224 . 1 1 18 18 LYS CG C 13 24.852 0.041 . 1 . . . A 308 LYS CG . 17490 1 225 . 1 1 18 18 LYS CD C 13 28.461 0.087 . 1 . . . A 308 LYS CD . 17490 1 226 . 1 1 18 18 LYS CE C 13 41.966 0.015 . 1 . . . A 308 LYS CE . 17490 1 227 . 1 1 18 18 LYS N N 15 120.961 0.046 . 1 . . . A 308 LYS N . 17490 1 228 . 1 1 19 19 GLU H H 1 7.52 0.011 . 1 . . . A 309 GLU H . 17490 1 229 . 1 1 19 19 GLU HA H 1 4.198 0.008 . 1 . . . A 309 GLU HA . 17490 1 230 . 1 1 19 19 GLU HB2 H 1 2.043 0.007 . 2 . . . A 309 GLU HB2 . 17490 1 231 . 1 1 19 19 GLU HB3 H 1 2.043 0.007 . 2 . . . A 309 GLU HB3 . 17490 1 232 . 1 1 19 19 GLU HG2 H 1 2.182 0 . 2 . . . A 309 GLU HG2 . 17490 1 233 . 1 1 19 19 GLU HG3 H 1 2.123 0.001 . 2 . . . A 309 GLU HG3 . 17490 1 234 . 1 1 19 19 GLU C C 13 178.136 0 . . . . . A 309 GLU C . 17490 1 235 . 1 1 19 19 GLU CA C 13 57.939 0.096 . 1 . . . A 309 GLU CA . 17490 1 236 . 1 1 19 19 GLU CB C 13 30.115 0.054 . 1 . . . A 309 GLU CB . 17490 1 237 . 1 1 19 19 GLU CG C 13 36.321 0.022 . 1 . . . A 309 GLU CG . 17490 1 238 . 1 1 19 19 GLU N N 15 118.377 0.05 . 1 . . . A 309 GLU N . 17490 1 239 . 1 1 20 20 LEU H H 1 7.741 0.006 . 1 . . . A 310 LEU H . 17490 1 240 . 1 1 20 20 LEU HA H 1 4.168 0.004 . 1 . . . A 310 LEU HA . 17490 1 241 . 1 1 20 20 LEU HB2 H 1 1.793 0.006 . 2 . . . A 310 LEU HB2 . 17490 1 242 . 1 1 20 20 LEU HB3 H 1 1.606 0.008 . 2 . . . A 310 LEU HB3 . 17490 1 243 . 1 1 20 20 LEU HG H 1 1.802 0.002 . 1 . . . A 310 LEU HG . 17490 1 244 . 1 1 20 20 LEU HD11 H 1 0.819 0.004 . 2 . . . A 310 LEU HD11 . 17490 1 245 . 1 1 20 20 LEU HD12 H 1 0.819 0.004 . 2 . . . A 310 LEU HD12 . 17490 1 246 . 1 1 20 20 LEU HD13 H 1 0.819 0.004 . 2 . . . A 310 LEU HD13 . 17490 1 247 . 1 1 20 20 LEU HD21 H 1 0.894 0.008 . 2 . . . A 310 LEU HD21 . 17490 1 248 . 1 1 20 20 LEU HD22 H 1 0.894 0.008 . 2 . . . A 310 LEU HD22 . 17490 1 249 . 1 1 20 20 LEU HD23 H 1 0.894 0.008 . 2 . . . A 310 LEU HD23 . 17490 1 250 . 1 1 20 20 LEU C C 13 179.112 0 . . . . . A 310 LEU C . 17490 1 251 . 1 1 20 20 LEU CA C 13 56.583 0.017 . 1 . . . A 310 LEU CA . 17490 1 252 . 1 1 20 20 LEU CB C 13 41.611 0.107 . 1 . . . A 310 LEU CB . 17490 1 253 . 1 1 20 20 LEU CG C 13 26.844 0.069 . 1 . . . A 310 LEU CG . 17490 1 254 . 1 1 20 20 LEU CD1 C 13 24.964 0.053 . 2 . . . A 310 LEU CD1 . 17490 1 255 . 1 1 20 20 LEU CD2 C 13 22.751 0.041 . 2 . . . A 310 LEU CD2 . 17490 1 256 . 1 1 20 20 LEU N N 15 118.101 0.038 . 1 . . . A 310 LEU N . 17490 1 257 . 1 1 21 21 GLU H H 1 7.747 0.008 . 1 . . . A 311 GLU H . 17490 1 258 . 1 1 21 21 GLU HA H 1 4.342 0.007 . 1 . . . A 311 GLU HA . 17490 1 259 . 1 1 21 21 GLU HB2 H 1 2.223 0.001 . 2 . . . A 311 GLU HB2 . 17490 1 260 . 1 1 21 21 GLU HB3 H 1 2.182 0 . 2 . . . A 311 GLU HB3 . 17490 1 261 . 1 1 21 21 GLU HG2 H 1 2.567 0.014 . 2 . . . A 311 GLU HG2 . 17490 1 262 . 1 1 21 21 GLU HG3 H 1 2.477 0.008 . 2 . . . A 311 GLU HG3 . 17490 1 263 . 1 1 21 21 GLU C C 13 176.928 0 . . . . . A 311 GLU C . 17490 1 264 . 1 1 21 21 GLU CA C 13 58.216 0.094 . 1 . . . A 311 GLU CA . 17490 1 265 . 1 1 21 21 GLU CB C 13 29.608 0.091 . 1 . . . A 311 GLU CB . 17490 1 266 . 1 1 21 21 GLU CG C 13 36.353 0.058 . 1 . . . A 311 GLU CG . 17490 1 267 . 1 1 21 21 GLU N N 15 116.13 0.039 . 1 . . . A 311 GLU N . 17490 1 268 . 1 1 22 22 THR H H 1 7.446 0.009 . 1 . . . A 312 THR H . 17490 1 269 . 1 1 22 22 THR HA H 1 4.182 0.004 . 1 . . . A 312 THR HA . 17490 1 270 . 1 1 22 22 THR HB H 1 4.617 0.008 . 1 . . . A 312 THR HB . 17490 1 271 . 1 1 22 22 THR HG21 H 1 1.182 0.006 . 1 . . . A 312 THR HG21 . 17490 1 272 . 1 1 22 22 THR HG22 H 1 1.182 0.006 . 1 . . . A 312 THR HG22 . 17490 1 273 . 1 1 22 22 THR HG23 H 1 1.182 0.006 . 1 . . . A 312 THR HG23 . 17490 1 274 . 1 1 22 22 THR C C 13 172.032 0 . . . . . A 312 THR C . 17490 1 275 . 1 1 22 22 THR CA C 13 61.539 0.034 . 1 . . . A 312 THR CA . 17490 1 276 . 1 1 22 22 THR CB C 13 69.426 0.04 . 1 . . . A 312 THR CB . 17490 1 277 . 1 1 22 22 THR CG2 C 13 22.342 0.001 . . . . . A 312 THR CG2 . 17490 1 278 . 1 1 22 22 THR N N 15 106.131 0.049 . 1 . . . A 312 THR N . 17490 1 279 . 1 1 23 23 LEU H H 1 7.538 0.008 . 1 . . . A 313 LEU H . 17490 1 280 . 1 1 23 23 LEU HA H 1 5.869 0.008 . 1 . . . A 313 LEU HA . 17490 1 281 . 1 1 23 23 LEU HB2 H 1 1.714 0.005 . 2 . . . A 313 LEU HB2 . 17490 1 282 . 1 1 23 23 LEU HB3 H 1 1.575 0.008 . 2 . . . A 313 LEU HB3 . 17490 1 283 . 1 1 23 23 LEU HG H 1 2.168 0.006 . 1 . . . A 313 LEU HG . 17490 1 284 . 1 1 23 23 LEU HD11 H 1 0.831 0.005 . 2 . . . A 313 LEU HD11 . 17490 1 285 . 1 1 23 23 LEU HD12 H 1 0.831 0.005 . 2 . . . A 313 LEU HD12 . 17490 1 286 . 1 1 23 23 LEU HD13 H 1 0.831 0.005 . 2 . . . A 313 LEU HD13 . 17490 1 287 . 1 1 23 23 LEU HD21 H 1 0.843 0.002 . 2 . . . A 313 LEU HD21 . 17490 1 288 . 1 1 23 23 LEU HD22 H 1 0.843 0.002 . 2 . . . A 313 LEU HD22 . 17490 1 289 . 1 1 23 23 LEU HD23 H 1 0.843 0.002 . 2 . . . A 313 LEU HD23 . 17490 1 290 . 1 1 23 23 LEU C C 13 175.604 0 . . . . . A 313 LEU C . 17490 1 291 . 1 1 23 23 LEU CA C 13 52.838 0.06 . 1 . . . A 313 LEU CA . 17490 1 292 . 1 1 23 23 LEU CB C 13 46.851 0.039 . 1 . . . A 313 LEU CB . 17490 1 293 . 1 1 23 23 LEU CG C 13 25.506 0.074 . 1 . . . A 313 LEU CG . 17490 1 294 . 1 1 23 23 LEU CD1 C 13 28.169 0.136 . 2 . . . A 313 LEU CD1 . 17490 1 295 . 1 1 23 23 LEU CD2 C 13 24.877 0.119 . 2 . . . A 313 LEU CD2 . 17490 1 296 . 1 1 23 23 LEU N N 15 120.178 0.044 . 1 . . . A 313 LEU N . 17490 1 297 . 1 1 24 24 ILE H H 1 8.904 0.009 . 1 . . . A 314 ILE H . 17490 1 298 . 1 1 24 24 ILE HA H 1 4.717 0.005 . 1 . . . A 314 ILE HA . 17490 1 299 . 1 1 24 24 ILE HB H 1 2.01 0.008 . 1 . . . A 314 ILE HB . 17490 1 300 . 1 1 24 24 ILE HG12 H 1 1.357 0.006 . 2 . . . A 314 ILE HG12 . 17490 1 301 . 1 1 24 24 ILE HG13 H 1 1.357 0.006 . 2 . . . A 314 ILE HG13 . 17490 1 302 . 1 1 24 24 ILE HG21 H 1 1.021 0.008 . 1 . . . A 314 ILE HG21 . 17490 1 303 . 1 1 24 24 ILE HG22 H 1 1.021 0.008 . 1 . . . A 314 ILE HG22 . 17490 1 304 . 1 1 24 24 ILE HG23 H 1 1.021 0.008 . 1 . . . A 314 ILE HG23 . 17490 1 305 . 1 1 24 24 ILE HD11 H 1 0.881 0.003 . . . . . A 314 ILE HD11 . 17490 1 306 . 1 1 24 24 ILE HD12 H 1 0.881 0.003 . . . . . A 314 ILE HD12 . 17490 1 307 . 1 1 24 24 ILE HD13 H 1 0.881 0.003 . . . . . A 314 ILE HD13 . 17490 1 308 . 1 1 24 24 ILE C C 13 173.53 0 . . . . . A 314 ILE C . 17490 1 309 . 1 1 24 24 ILE CA C 13 59.368 0.032 . 1 . . . A 314 ILE CA . 17490 1 310 . 1 1 24 24 ILE CB C 13 42.319 0.051 . 1 . . . A 314 ILE CB . 17490 1 311 . 1 1 24 24 ILE CG1 C 13 26.496 0.015 . 1 . . . A 314 ILE CG1 . 17490 1 312 . 1 1 24 24 ILE CG2 C 13 18.846 0.01 . 1 . . . A 314 ILE CG2 . 17490 1 313 . 1 1 24 24 ILE CD1 C 13 14.602 0.025 . . . . . A 314 ILE CD1 . 17490 1 314 . 1 1 24 24 ILE N N 15 113.99 0.063 . 1 . . . A 314 ILE N . 17490 1 315 . 1 1 25 25 CYS H H 1 9.021 0.008 . 1 . . . A 315 CYS H . 17490 1 316 . 1 1 25 25 CYS HA H 1 5.914 0.009 . 1 . . . A 315 CYS HA . 17490 1 317 . 1 1 25 25 CYS HB2 H 1 3.122 0.002 . 2 . . . A 315 CYS HB2 . 17490 1 318 . 1 1 25 25 CYS HB3 H 1 2.711 0.006 . 2 . . . A 315 CYS HB3 . 17490 1 319 . 1 1 25 25 CYS C C 13 174.153 0 . . . . . A 315 CYS C . 17490 1 320 . 1 1 25 25 CYS CA C 13 57.187 0.057 . 1 . . . A 315 CYS CA . 17490 1 321 . 1 1 25 25 CYS CB C 13 31.754 0.094 . 1 . . . A 315 CYS CB . 17490 1 322 . 1 1 25 25 CYS N N 15 117.755 0.051 . 1 . . . A 315 CYS N . 17490 1 323 . 1 1 26 26 LEU H H 1 8.778 0.011 . 1 . . . A 316 LEU H . 17490 1 324 . 1 1 26 26 LEU HA H 1 5.363 0.007 . 1 . . . A 316 LEU HA . 17490 1 325 . 1 1 26 26 LEU HB2 H 1 1.444 0.006 . 2 . . . A 316 LEU HB2 . 17490 1 326 . 1 1 26 26 LEU HB3 H 1 1.253 0.007 . 2 . . . A 316 LEU HB3 . 17490 1 327 . 1 1 26 26 LEU HG H 1 1.507 0.003 . 1 . . . A 316 LEU HG . 17490 1 328 . 1 1 26 26 LEU HD11 H 1 0.769 0.003 . 2 . . . A 316 LEU HD11 . 17490 1 329 . 1 1 26 26 LEU HD12 H 1 0.769 0.003 . 2 . . . A 316 LEU HD12 . 17490 1 330 . 1 1 26 26 LEU HD13 H 1 0.769 0.003 . 2 . . . A 316 LEU HD13 . 17490 1 331 . 1 1 26 26 LEU HD21 H 1 0.67 0.009 . 2 . . . A 316 LEU HD21 . 17490 1 332 . 1 1 26 26 LEU HD22 H 1 0.67 0.009 . 2 . . . A 316 LEU HD22 . 17490 1 333 . 1 1 26 26 LEU HD23 H 1 0.67 0.009 . 2 . . . A 316 LEU HD23 . 17490 1 334 . 1 1 26 26 LEU C C 13 176.015 0 . . . . . A 316 LEU C . 17490 1 335 . 1 1 26 26 LEU CA C 13 53.072 0.035 . 1 . . . A 316 LEU CA . 17490 1 336 . 1 1 26 26 LEU CB C 13 45.891 0.061 . 1 . . . A 316 LEU CB . 17490 1 337 . 1 1 26 26 LEU CG C 13 26.836 0.083 . 1 . . . A 316 LEU CG . 17490 1 338 . 1 1 26 26 LEU CD1 C 13 23.277 0.057 . 2 . . . A 316 LEU CD1 . 17490 1 339 . 1 1 26 26 LEU CD2 C 13 25.136 0.141 . 2 . . . A 316 LEU CD2 . 17490 1 340 . 1 1 26 26 LEU N N 15 119.952 0.059 . 1 . . . A 316 LEU N . 17490 1 341 . 1 1 27 27 PHE H H 1 7.827 0.011 . 1 . . . A 317 PHE H . 17490 1 342 . 1 1 27 27 PHE HA H 1 4.158 0 . 1 . . . A 317 PHE HA . 17490 1 343 . 1 1 27 27 PHE HB2 H 1 2.17 0 . 2 . . . A 317 PHE HB2 . 17490 1 344 . 1 1 27 27 PHE HB3 H 1 2.17 0 . 2 . . . A 317 PHE HB3 . 17490 1 345 . 1 1 27 27 PHE CA C 13 55.594 0.036 . 1 . . . A 317 PHE CA . 17490 1 346 . 1 1 27 27 PHE CB C 13 37.765 0.076 . 1 . . . A 317 PHE CB . 17490 1 347 . 1 1 27 27 PHE N N 15 116.116 0.038 . 1 . . . A 317 PHE N . 17490 1 348 . 1 1 28 28 PRO HA H 1 5.322 0.005 . 1 . . . A 318 PRO HA . 17490 1 349 . 1 1 28 28 PRO HB2 H 1 2.69 0.01 . 2 . . . A 318 PRO HB2 . 17490 1 350 . 1 1 28 28 PRO HB3 H 1 2.313 0.008 . 2 . . . A 318 PRO HB3 . 17490 1 351 . 1 1 28 28 PRO HG2 H 1 2.305 0 . 2 . . . A 318 PRO HG2 . 17490 1 352 . 1 1 28 28 PRO HG3 H 1 2.22 0 . 2 . . . A 318 PRO HG3 . 17490 1 353 . 1 1 28 28 PRO HD2 H 1 3.791 0.008 . 2 . . . A 318 PRO HD2 . 17490 1 354 . 1 1 28 28 PRO HD3 H 1 3.124 0.007 . 2 . . . A 318 PRO HD3 . 17490 1 355 . 1 1 28 28 PRO C C 13 175.163 0 . . . . . A 318 PRO C . 17490 1 356 . 1 1 28 28 PRO CA C 13 61.657 0.031 . 1 . . . A 318 PRO CA . 17490 1 357 . 1 1 28 28 PRO CB C 13 34.356 0.035 . 1 . . . A 318 PRO CB . 17490 1 358 . 1 1 28 28 PRO CG C 13 24.158 0.047 . 1 . . . A 318 PRO CG . 17490 1 359 . 1 1 28 28 PRO CD C 13 49.649 0.053 . 1 . . . A 318 PRO CD . 17490 1 360 . 1 1 29 29 LEU H H 1 8.365 0.009 . 1 . . . A 319 LEU H . 17490 1 361 . 1 1 29 29 LEU HA H 1 4.674 0.008 . 1 . . . A 319 LEU HA . 17490 1 362 . 1 1 29 29 LEU HB2 H 1 1.402 0.007 . 2 . . . A 319 LEU HB2 . 17490 1 363 . 1 1 29 29 LEU HB3 H 1 1.372 0 . 2 . . . A 319 LEU HB3 . 17490 1 364 . 1 1 29 29 LEU HG H 1 1.521 0 . 1 . . . A 319 LEU HG . 17490 1 365 . 1 1 29 29 LEU HD11 H 1 0.619 0.003 . 2 . . . A 319 LEU HD11 . 17490 1 366 . 1 1 29 29 LEU HD12 H 1 0.619 0.003 . 2 . . . A 319 LEU HD12 . 17490 1 367 . 1 1 29 29 LEU HD13 H 1 0.619 0.003 . 2 . . . A 319 LEU HD13 . 17490 1 368 . 1 1 29 29 LEU HD21 H 1 0.671 0 . 2 . . . A 319 LEU HD21 . 17490 1 369 . 1 1 29 29 LEU HD22 H 1 0.671 0 . 2 . . . A 319 LEU HD22 . 17490 1 370 . 1 1 29 29 LEU HD23 H 1 0.671 0 . 2 . . . A 319 LEU HD23 . 17490 1 371 . 1 1 29 29 LEU C C 13 176.806 0 . . . . . A 319 LEU C . 17490 1 372 . 1 1 29 29 LEU CA C 13 52.817 0.102 . 1 . . . A 319 LEU CA . 17490 1 373 . 1 1 29 29 LEU CB C 13 45.029 0.039 . 1 . . . A 319 LEU CB . 17490 1 374 . 1 1 29 29 LEU CG C 13 27.457 0 . 1 . . . A 319 LEU CG . 17490 1 375 . 1 1 29 29 LEU CD1 C 13 27.157 0.053 . 2 . . . A 319 LEU CD1 . 17490 1 376 . 1 1 29 29 LEU CD2 C 13 23.438 0.041 . 2 . . . A 319 LEU CD2 . 17490 1 377 . 1 1 29 29 LEU N N 15 120.206 0.085 . 1 . . . A 319 LEU N . 17490 1 378 . 1 1 30 30 SER H H 1 8.652 0.005 . 1 . . . A 320 SER H . 17490 1 379 . 1 1 30 30 SER HA H 1 4.475 0.007 . 1 . . . A 320 SER HA . 17490 1 380 . 1 1 30 30 SER HB2 H 1 4.118 0.004 . 2 . . . A 320 SER HB2 . 17490 1 381 . 1 1 30 30 SER HB3 H 1 3.824 0.007 . 2 . . . A 320 SER HB3 . 17490 1 382 . 1 1 30 30 SER C C 13 174.677 0 . . . . . A 320 SER C . 17490 1 383 . 1 1 30 30 SER CA C 13 57.768 0.049 . 1 . . . A 320 SER CA . 17490 1 384 . 1 1 30 30 SER CB C 13 64.118 0.099 . 1 . . . A 320 SER CB . 17490 1 385 . 1 1 30 30 SER N N 15 117.22 0.039 . 1 . . . A 320 SER N . 17490 1 386 . 1 1 31 31 ASP H H 1 8.587 0.005 . 1 . . . A 321 ASP H . 17490 1 387 . 1 1 31 31 ASP HA H 1 4.471 0.008 . 1 . . . A 321 ASP HA . 17490 1 388 . 1 1 31 31 ASP HB2 H 1 2.861 0.013 . 2 . . . A 321 ASP HB2 . 17490 1 389 . 1 1 31 31 ASP HB3 H 1 2.739 0.005 . 2 . . . A 321 ASP HB3 . 17490 1 390 . 1 1 31 31 ASP C C 13 176.811 0 . . . . . A 321 ASP C . 17490 1 391 . 1 1 31 31 ASP CA C 13 55.388 0.061 . 1 . . . A 321 ASP CA . 17490 1 392 . 1 1 31 31 ASP CB C 13 40.06 0.073 . 1 . . . A 321 ASP CB . 17490 1 393 . 1 1 31 31 ASP N N 15 121.514 0.046 . 1 . . . A 321 ASP N . 17490 1 394 . 1 1 32 32 LYS H H 1 8.053 0.007 . 1 . . . A 322 LYS H . 17490 1 395 . 1 1 32 32 LYS HA H 1 4.331 0.008 . 1 . . . A 322 LYS HA . 17490 1 396 . 1 1 32 32 LYS HB2 H 1 1.956 0.011 . 2 . . . A 322 LYS HB2 . 17490 1 397 . 1 1 32 32 LYS HB3 H 1 1.616 0.009 . 2 . . . A 322 LYS HB3 . 17490 1 398 . 1 1 32 32 LYS HG2 H 1 1.445 0.002 . 2 . . . A 322 LYS HG2 . 17490 1 399 . 1 1 32 32 LYS HG3 H 1 1.383 0.005 . 2 . . . A 322 LYS HG3 . 17490 1 400 . 1 1 32 32 LYS HD2 H 1 1.424 0.016 . 2 . . . A 322 LYS HD2 . 17490 1 401 . 1 1 32 32 LYS HD3 H 1 1.424 0.016 . 2 . . . A 322 LYS HD3 . 17490 1 402 . 1 1 32 32 LYS HE2 H 1 2.964 0.01 . 2 . . . A 322 LYS HE2 . 17490 1 403 . 1 1 32 32 LYS HE3 H 1 2.964 0.01 . 2 . . . A 322 LYS HE3 . 17490 1 404 . 1 1 32 32 LYS C C 13 176.804 0 . . . . . A 322 LYS C . 17490 1 405 . 1 1 32 32 LYS CA C 13 55.545 0.084 . 1 . . . A 322 LYS CA . 17490 1 406 . 1 1 32 32 LYS CB C 13 31.942 0.085 . 1 . . . A 322 LYS CB . 17490 1 407 . 1 1 32 32 LYS CG C 13 24.708 0.007 . 1 . . . A 322 LYS CG . 17490 1 408 . 1 1 32 32 LYS CD C 13 28.498 0.044 . 1 . . . A 322 LYS CD . 17490 1 409 . 1 1 32 32 LYS CE C 13 42.123 0 . 1 . . . A 322 LYS CE . 17490 1 410 . 1 1 32 32 LYS N N 15 117.99 0.043 . 1 . . . A 322 LYS N . 17490 1 411 . 1 1 33 33 VAL H H 1 7.333 0.009 . 1 . . . A 323 VAL H . 17490 1 412 . 1 1 33 33 VAL HA H 1 3.922 0.006 . 1 . . . A 323 VAL HA . 17490 1 413 . 1 1 33 33 VAL HB H 1 2.162 0.01 . 1 . . . A 323 VAL HB . 17490 1 414 . 1 1 33 33 VAL HG11 H 1 1.105 0.001 . 2 . . . A 323 VAL HG11 . 17490 1 415 . 1 1 33 33 VAL HG12 H 1 1.105 0.001 . 2 . . . A 323 VAL HG12 . 17490 1 416 . 1 1 33 33 VAL HG13 H 1 1.105 0.001 . 2 . . . A 323 VAL HG13 . 17490 1 417 . 1 1 33 33 VAL HG21 H 1 0.993 0.001 . 2 . . . A 323 VAL HG21 . 17490 1 418 . 1 1 33 33 VAL HG22 H 1 0.993 0.001 . 2 . . . A 323 VAL HG22 . 17490 1 419 . 1 1 33 33 VAL HG23 H 1 0.993 0.001 . 2 . . . A 323 VAL HG23 . 17490 1 420 . 1 1 33 33 VAL C C 13 173.362 0 . . . . . A 323 VAL C . 17490 1 421 . 1 1 33 33 VAL CA C 13 63.294 0.069 . 1 . . . A 323 VAL CA . 17490 1 422 . 1 1 33 33 VAL CB C 13 32.41 0.087 . 1 . . . A 323 VAL CB . 17490 1 423 . 1 1 33 33 VAL CG1 C 13 22.716 0.026 . 2 . . . A 323 VAL CG1 . 17490 1 424 . 1 1 33 33 VAL CG2 C 13 22.227 0.007 . 2 . . . A 323 VAL CG2 . 17490 1 425 . 1 1 33 33 VAL N N 15 119.57 0.036 . 1 . . . A 323 VAL N . 17490 1 426 . 1 1 34 34 SER H H 1 7.099 0.011 . 1 . . . A 324 SER H . 17490 1 427 . 1 1 34 34 SER HA H 1 5.104 0.002 . 1 . . . A 324 SER HA . 17490 1 428 . 1 1 34 34 SER HB2 H 1 4.335 0.002 . 2 . . . A 324 SER HB2 . 17490 1 429 . 1 1 34 34 SER HB3 H 1 3.916 0 . 2 . . . A 324 SER HB3 . 17490 1 430 . 1 1 34 34 SER CA C 13 55.114 0.084 . 1 . . . A 324 SER CA . 17490 1 431 . 1 1 34 34 SER CB C 13 64.522 0.148 . 1 . . . A 324 SER CB . 17490 1 432 . 1 1 34 34 SER N N 15 118.908 0.039 . 1 . . . A 324 SER N . 17490 1 433 . 1 1 35 35 PRO HA H 1 4.038 0.006 . 1 . . . A 325 PRO HA . 17490 1 434 . 1 1 35 35 PRO HB2 H 1 2.205 0.009 . 2 . . . A 325 PRO HB2 . 17490 1 435 . 1 1 35 35 PRO HB3 H 1 2.104 0.007 . 2 . . . A 325 PRO HB3 . 17490 1 436 . 1 1 35 35 PRO HG2 H 1 2.191 0 . 2 . . . A 325 PRO HG2 . 17490 1 437 . 1 1 35 35 PRO HG3 H 1 2.191 0 . 2 . . . A 325 PRO HG3 . 17490 1 438 . 1 1 35 35 PRO HD2 H 1 4.08 0.003 . 2 . . . A 325 PRO HD2 . 17490 1 439 . 1 1 35 35 PRO HD3 H 1 3.868 0 . 2 . . . A 325 PRO HD3 . 17490 1 440 . 1 1 35 35 PRO C C 13 178.107 0 . . . . . A 325 PRO C . 17490 1 441 . 1 1 35 35 PRO CA C 13 66.275 0.174 . 1 . . . A 325 PRO CA . 17490 1 442 . 1 1 35 35 PRO CB C 13 31.873 0.075 . 1 . . . A 325 PRO CB . 17490 1 443 . 1 1 35 35 PRO CG C 13 28.374 0.309 . 1 . . . A 325 PRO CG . 17490 1 444 . 1 1 35 35 PRO CD C 13 50.781 0.034 . 1 . . . A 325 PRO CD . 17490 1 445 . 1 1 36 36 SER H H 1 8.172 0.007 . 1 . . . A 326 SER H . 17490 1 446 . 1 1 36 36 SER HA H 1 4.179 0.005 . 1 . . . A 326 SER HA . 17490 1 447 . 1 1 36 36 SER HB2 H 1 3.891 0.001 . 2 . . . A 326 SER HB2 . 17490 1 448 . 1 1 36 36 SER HB3 H 1 3.891 0.001 . 2 . . . A 326 SER HB3 . 17490 1 449 . 1 1 36 36 SER C C 13 176.897 0 . . . . . A 326 SER C . 17490 1 450 . 1 1 36 36 SER CA C 13 61.731 0.08 . 1 . . . A 326 SER CA . 17490 1 451 . 1 1 36 36 SER CB C 13 62.211 0.059 . 1 . . . A 326 SER CB . 17490 1 452 . 1 1 36 36 SER N N 15 111.48 0.057 . 1 . . . A 326 SER N . 17490 1 453 . 1 1 37 37 LEU H H 1 7.751 0.008 . 1 . . . A 327 LEU H . 17490 1 454 . 1 1 37 37 LEU HA H 1 4.311 0.006 . 1 . . . A 327 LEU HA . 17490 1 455 . 1 1 37 37 LEU HB2 H 1 1.956 0.007 . 2 . . . A 327 LEU HB2 . 17490 1 456 . 1 1 37 37 LEU HB3 H 1 1.777 0.004 . 2 . . . A 327 LEU HB3 . 17490 1 457 . 1 1 37 37 LEU HG H 1 1.8 0.005 . 1 . . . A 327 LEU HG . 17490 1 458 . 1 1 37 37 LEU HD11 H 1 0.973 0.008 . 2 . . . A 327 LEU HD11 . 17490 1 459 . 1 1 37 37 LEU HD12 H 1 0.973 0.008 . 2 . . . A 327 LEU HD12 . 17490 1 460 . 1 1 37 37 LEU HD13 H 1 0.973 0.008 . 2 . . . A 327 LEU HD13 . 17490 1 461 . 1 1 37 37 LEU HD21 H 1 1.035 0.004 . 2 . . . A 327 LEU HD21 . 17490 1 462 . 1 1 37 37 LEU HD22 H 1 1.035 0.004 . 2 . . . A 327 LEU HD22 . 17490 1 463 . 1 1 37 37 LEU HD23 H 1 1.035 0.004 . 2 . . . A 327 LEU HD23 . 17490 1 464 . 1 1 37 37 LEU C C 13 180.292 0 . . . . . A 327 LEU C . 17490 1 465 . 1 1 37 37 LEU CA C 13 57.921 0.087 . 1 . . . A 327 LEU CA . 17490 1 466 . 1 1 37 37 LEU CB C 13 42.694 0.057 . 1 . . . A 327 LEU CB . 17490 1 467 . 1 1 37 37 LEU CG C 13 27.372 0.041 . 1 . . . A 327 LEU CG . 17490 1 468 . 1 1 37 37 LEU CD1 C 13 24.982 0 . 2 . . . A 327 LEU CD1 . 17490 1 469 . 1 1 37 37 LEU CD2 C 13 24.546 0.032 . 2 . . . A 327 LEU CD2 . 17490 1 470 . 1 1 37 37 LEU N N 15 123.898 0.045 . 1 . . . A 327 LEU N . 17490 1 471 . 1 1 38 38 ILE H H 1 7.636 0.008 . 1 . . . A 328 ILE H . 17490 1 472 . 1 1 38 38 ILE HA H 1 3.627 0.008 . 1 . . . A 328 ILE HA . 17490 1 473 . 1 1 38 38 ILE HB H 1 1.947 0.011 . 1 . . . A 328 ILE HB . 17490 1 474 . 1 1 38 38 ILE HG12 H 1 1.695 0.005 . 2 . . . A 328 ILE HG12 . 17490 1 475 . 1 1 38 38 ILE HG13 H 1 0.558 0.004 . 2 . . . A 328 ILE HG13 . 17490 1 476 . 1 1 38 38 ILE HG21 H 1 0.69 0.004 . 1 . . . A 328 ILE HG21 . 17490 1 477 . 1 1 38 38 ILE HG22 H 1 0.69 0.004 . 1 . . . A 328 ILE HG22 . 17490 1 478 . 1 1 38 38 ILE HG23 H 1 0.69 0.004 . 1 . . . A 328 ILE HG23 . 17490 1 479 . 1 1 38 38 ILE HD11 H 1 0.431 0.004 . . . . . A 328 ILE HD11 . 17490 1 480 . 1 1 38 38 ILE HD12 H 1 0.431 0.004 . . . . . A 328 ILE HD12 . 17490 1 481 . 1 1 38 38 ILE HD13 H 1 0.431 0.004 . . . . . A 328 ILE HD13 . 17490 1 482 . 1 1 38 38 ILE C C 13 176.884 0 . . . . . A 328 ILE C . 17490 1 483 . 1 1 38 38 ILE CA C 13 65.153 0.153 . 1 . . . A 328 ILE CA . 17490 1 484 . 1 1 38 38 ILE CB C 13 37.446 0.038 . 1 . . . A 328 ILE CB . 17490 1 485 . 1 1 38 38 ILE CG1 C 13 28.719 0.116 . 1 . . . A 328 ILE CG1 . 17490 1 486 . 1 1 38 38 ILE CG2 C 13 17.306 0.016 . 1 . . . A 328 ILE CG2 . 17490 1 487 . 1 1 38 38 ILE CD1 C 13 13.554 0.02 . . . . . A 328 ILE CD1 . 17490 1 488 . 1 1 38 38 ILE N N 15 119.411 0.047 . 1 . . . A 328 ILE N . 17490 1 489 . 1 1 39 39 CYS H H 1 8.64 0.005 . 1 . . . A 329 CYS H . 17490 1 490 . 1 1 39 39 CYS HA H 1 3.743 0.007 . 1 . . . A 329 CYS HA . 17490 1 491 . 1 1 39 39 CYS HB2 H 1 3.144 0.004 . 2 . . . A 329 CYS HB2 . 17490 1 492 . 1 1 39 39 CYS HB3 H 1 2.93 0.004 . 2 . . . A 329 CYS HB3 . 17490 1 493 . 1 1 39 39 CYS C C 13 176.205 0 . . . . . A 329 CYS C . 17490 1 494 . 1 1 39 39 CYS CA C 13 63.564 0.064 . 1 . . . A 329 CYS CA . 17490 1 495 . 1 1 39 39 CYS CB C 13 26.285 0.116 . 1 . . . A 329 CYS CB . 17490 1 496 . 1 1 39 39 CYS N N 15 120.43 0.061 . 1 . . . A 329 CYS N . 17490 1 497 . 1 1 40 40 GLN H H 1 8.213 0.008 . 1 . . . A 330 GLN H . 17490 1 498 . 1 1 40 40 GLN HA H 1 4.099 0.006 . 1 . . . A 330 GLN HA . 17490 1 499 . 1 1 40 40 GLN HB2 H 1 2.22 0.007 . 2 . . . A 330 GLN HB2 . 17490 1 500 . 1 1 40 40 GLN HB3 H 1 2.22 0.007 . 2 . . . A 330 GLN HB3 . 17490 1 501 . 1 1 40 40 GLN HG2 H 1 2.507 0.003 . 2 . . . A 330 GLN HG2 . 17490 1 502 . 1 1 40 40 GLN HG3 H 1 2.385 0.003 . 2 . . . A 330 GLN HG3 . 17490 1 503 . 1 1 40 40 GLN HE21 H 1 6.984 0 . 2 . . . A 330 GLN HE21 . 17490 1 504 . 1 1 40 40 GLN C C 13 177.445 0 . . . . . A 330 GLN C . 17490 1 505 . 1 1 40 40 GLN CA C 13 59.496 0.064 . 1 . . . A 330 GLN CA . 17490 1 506 . 1 1 40 40 GLN CB C 13 28.469 0.066 . 1 . . . A 330 GLN CB . 17490 1 507 . 1 1 40 40 GLN CG C 13 33.421 0.029 . 1 . . . A 330 GLN CG . 17490 1 508 . 1 1 40 40 GLN N N 15 118.263 0.073 . 1 . . . A 330 GLN N . 17490 1 509 . 1 1 40 40 GLN NE2 N 15 111.642 0 . 1 . . . A 330 GLN NE2 . 17490 1 510 . 1 1 41 41 PHE H H 1 7.806 0.011 . 1 . . . A 331 PHE H . 17490 1 511 . 1 1 41 41 PHE HA H 1 4.661 0.008 . 1 . . . A 331 PHE HA . 17490 1 512 . 1 1 41 41 PHE HB2 H 1 3.595 0.01 . 2 . . . A 331 PHE HB2 . 17490 1 513 . 1 1 41 41 PHE HB3 H 1 3.241 0.019 . 2 . . . A 331 PHE HB3 . 17490 1 514 . 1 1 41 41 PHE HD1 H 1 7.138 0.006 . 3 . . . A 331 PHE HD1 . 17490 1 515 . 1 1 41 41 PHE HD2 H 1 7.138 0.006 . 3 . . . A 331 PHE HD2 . 17490 1 516 . 1 1 41 41 PHE HE1 H 1 6.501 0.006 . 3 . . . A 331 PHE HE1 . 17490 1 517 . 1 1 41 41 PHE HE2 H 1 6.501 0.006 . 3 . . . A 331 PHE HE2 . 17490 1 518 . 1 1 41 41 PHE C C 13 177.475 0 . . . . . A 331 PHE C . 17490 1 519 . 1 1 41 41 PHE CA C 13 60.181 0.067 . 1 . . . A 331 PHE CA . 17490 1 520 . 1 1 41 41 PHE CB C 13 39.561 0.073 . 1 . . . A 331 PHE CB . 17490 1 521 . 1 1 41 41 PHE CD1 C 13 129.412 0 . . . . . A 331 PHE CD1 . 17490 1 522 . 1 1 41 41 PHE CD2 C 13 129.412 0 . . . . . A 331 PHE CD2 . 17490 1 523 . 1 1 41 41 PHE CE1 C 13 130.424 0 . . . . . A 331 PHE CE1 . 17490 1 524 . 1 1 41 41 PHE CE2 C 13 130.424 0 . . . . . A 331 PHE CE2 . 17490 1 525 . 1 1 41 41 PHE N N 15 121.411 0.041 . 1 . . . A 331 PHE N . 17490 1 526 . 1 1 42 42 LEU H H 1 8.436 0.007 . 1 . . . A 332 LEU H . 17490 1 527 . 1 1 42 42 LEU HA H 1 3.508 0.008 . 1 . . . A 332 LEU HA . 17490 1 528 . 1 1 42 42 LEU HB2 H 1 2.041 0.01 . 2 . . . A 332 LEU HB2 . 17490 1 529 . 1 1 42 42 LEU HB3 H 1 1.273 0.009 . 2 . . . A 332 LEU HB3 . 17490 1 530 . 1 1 42 42 LEU HG H 1 2.112 0.023 . 1 . . . A 332 LEU HG . 17490 1 531 . 1 1 42 42 LEU HD11 H 1 0.861 0.009 . 2 . . . A 332 LEU HD11 . 17490 1 532 . 1 1 42 42 LEU HD12 H 1 0.861 0.009 . 2 . . . A 332 LEU HD12 . 17490 1 533 . 1 1 42 42 LEU HD13 H 1 0.861 0.009 . 2 . . . A 332 LEU HD13 . 17490 1 534 . 1 1 42 42 LEU HD21 H 1 0.785 0.005 . 2 . . . A 332 LEU HD21 . 17490 1 535 . 1 1 42 42 LEU HD22 H 1 0.785 0.005 . 2 . . . A 332 LEU HD22 . 17490 1 536 . 1 1 42 42 LEU HD23 H 1 0.785 0.005 . 2 . . . A 332 LEU HD23 . 17490 1 537 . 1 1 42 42 LEU C C 13 178.495 0 . . . . . A 332 LEU C . 17490 1 538 . 1 1 42 42 LEU CA C 13 57.545 0.061 . 1 . . . A 332 LEU CA . 17490 1 539 . 1 1 42 42 LEU CB C 13 40.88 0.053 . 1 . . . A 332 LEU CB . 17490 1 540 . 1 1 42 42 LEU CG C 13 26.592 0.027 . 1 . . . A 332 LEU CG . 17490 1 541 . 1 1 42 42 LEU CD1 C 13 27.163 0.101 . 2 . . . A 332 LEU CD1 . 17490 1 542 . 1 1 42 42 LEU CD2 C 13 22.952 0.064 . 2 . . . A 332 LEU CD2 . 17490 1 543 . 1 1 42 42 LEU N N 15 119.016 0.044 . 1 . . . A 332 LEU N . 17490 1 544 . 1 1 43 43 GLN H H 1 8.236 0.01 . 1 . . . A 333 GLN H . 17490 1 545 . 1 1 43 43 GLN HA H 1 4.59 0.006 . 1 . . . A 333 GLN HA . 17490 1 546 . 1 1 43 43 GLN HB2 H 1 2.212 0.001 . 2 . . . A 333 GLN HB2 . 17490 1 547 . 1 1 43 43 GLN HB3 H 1 2.147 0.004 . 2 . . . A 333 GLN HB3 . 17490 1 548 . 1 1 43 43 GLN HG2 H 1 2.496 0.003 . 2 . . . A 333 GLN HG2 . 17490 1 549 . 1 1 43 43 GLN HG3 H 1 2.328 0.011 . 2 . . . A 333 GLN HG3 . 17490 1 550 . 1 1 43 43 GLN HE21 H 1 7.703 0 . 2 . . . A 333 GLN HE21 . 17490 1 551 . 1 1 43 43 GLN HE22 H 1 6.715 0 . 2 . . . A 333 GLN HE22 . 17490 1 552 . 1 1 43 43 GLN C C 13 178.499 0 . . . . . A 333 GLN C . 17490 1 553 . 1 1 43 43 GLN CA C 13 58.875 0.053 . 1 . . . A 333 GLN CA . 17490 1 554 . 1 1 43 43 GLN CB C 13 30.846 0.038 . 1 . . . A 333 GLN CB . 17490 1 555 . 1 1 43 43 GLN CG C 13 34.928 0.044 . 1 . . . A 333 GLN CG . 17490 1 556 . 1 1 43 43 GLN N N 15 116.21 0.046 . 1 . . . A 333 GLN N . 17490 1 557 . 1 1 43 43 GLN NE2 N 15 111.346 0.001 . 1 . . . A 333 GLN NE2 . 17490 1 558 . 1 1 44 44 GLU H H 1 8.926 0.006 . 1 . . . A 334 GLU H . 17490 1 559 . 1 1 44 44 GLU HA H 1 4.116 0.006 . 1 . . . A 334 GLU HA . 17490 1 560 . 1 1 44 44 GLU HB2 H 1 2.099 0.005 . 2 . . . A 334 GLU HB2 . 17490 1 561 . 1 1 44 44 GLU HB3 H 1 2.099 0.005 . 2 . . . A 334 GLU HB3 . 17490 1 562 . 1 1 44 44 GLU HG2 H 1 2.519 0.005 . 2 . . . A 334 GLU HG2 . 17490 1 563 . 1 1 44 44 GLU HG3 H 1 2.309 0.007 . 2 . . . A 334 GLU HG3 . 17490 1 564 . 1 1 44 44 GLU C C 13 177.407 0 . . . . . A 334 GLU C . 17490 1 565 . 1 1 44 44 GLU CA C 13 58.756 0.087 . 1 . . . A 334 GLU CA . 17490 1 566 . 1 1 44 44 GLU CB C 13 30.518 0.082 . 1 . . . A 334 GLU CB . 17490 1 567 . 1 1 44 44 GLU CG C 13 36.75 0.047 . 1 . . . A 334 GLU CG . 17490 1 568 . 1 1 44 44 GLU N N 15 117.05 0.044 . 1 . . . A 334 GLU N . 17490 1 569 . 1 1 45 45 GLU H H 1 8.054 0.009 . 1 . . . A 335 GLU H . 17490 1 570 . 1 1 45 45 GLU HA H 1 4.354 0.003 . 1 . . . A 335 GLU HA . 17490 1 571 . 1 1 45 45 GLU HB2 H 1 1.874 0.011 . 2 . . . A 335 GLU HB2 . 17490 1 572 . 1 1 45 45 GLU HB3 H 1 1.874 0.011 . 2 . . . A 335 GLU HB3 . 17490 1 573 . 1 1 45 45 GLU HG2 H 1 2.392 0.002 . 2 . . . A 335 GLU HG2 . 17490 1 574 . 1 1 45 45 GLU HG3 H 1 2.306 0 . 2 . . . A 335 GLU HG3 . 17490 1 575 . 1 1 45 45 GLU C C 13 176.873 0 . . . . . A 335 GLU C . 17490 1 576 . 1 1 45 45 GLU CA C 13 57.018 0.087 . 1 . . . A 335 GLU CA . 17490 1 577 . 1 1 45 45 GLU CB C 13 29.537 0.084 . 1 . . . A 335 GLU CB . 17490 1 578 . 1 1 45 45 GLU CG C 13 36.216 0.036 . 1 . . . A 335 GLU CG . 17490 1 579 . 1 1 45 45 GLU N N 15 114.95 0.046 . 1 . . . A 335 GLU N . 17490 1 580 . 1 1 46 46 ILE H H 1 6.749 0.011 . 1 . . . A 336 ILE H . 17490 1 581 . 1 1 46 46 ILE HA H 1 3.895 0.005 . 1 . . . A 336 ILE HA . 17490 1 582 . 1 1 46 46 ILE HB H 1 2.447 0.009 . 1 . . . A 336 ILE HB . 17490 1 583 . 1 1 46 46 ILE HG12 H 1 0.752 0 . 2 . . . A 336 ILE HG12 . 17490 1 584 . 1 1 46 46 ILE HG13 H 1 0.699 0 . 2 . . . A 336 ILE HG13 . 17490 1 585 . 1 1 46 46 ILE HG21 H 1 0.923 0.002 . 1 . . . A 336 ILE HG21 . 17490 1 586 . 1 1 46 46 ILE HG22 H 1 0.923 0.002 . 1 . . . A 336 ILE HG22 . 17490 1 587 . 1 1 46 46 ILE HG23 H 1 0.923 0.002 . 1 . . . A 336 ILE HG23 . 17490 1 588 . 1 1 46 46 ILE HD11 H 1 0.435 0.002 . . . . . A 336 ILE HD11 . 17490 1 589 . 1 1 46 46 ILE HD12 H 1 0.435 0.002 . . . . . A 336 ILE HD12 . 17490 1 590 . 1 1 46 46 ILE HD13 H 1 0.435 0.002 . . . . . A 336 ILE HD13 . 17490 1 591 . 1 1 46 46 ILE C C 13 175.873 0 . . . . . A 336 ILE C . 17490 1 592 . 1 1 46 46 ILE CA C 13 58.097 0.071 . 1 . . . A 336 ILE CA . 17490 1 593 . 1 1 46 46 ILE CB C 13 35.077 0.084 . 1 . . . A 336 ILE CB . 17490 1 594 . 1 1 46 46 ILE CG1 C 13 27.553 0.044 . 1 . . . A 336 ILE CG1 . 17490 1 595 . 1 1 46 46 ILE CG2 C 13 18.766 0.016 . 1 . . . A 336 ILE CG2 . 17490 1 596 . 1 1 46 46 ILE CD1 C 13 8.065 0.014 . . . . . A 336 ILE CD1 . 17490 1 597 . 1 1 46 46 ILE N N 15 115.649 0.035 . 1 . . . A 336 ILE N . 17490 1 598 . 1 1 47 47 HIS H H 1 6.652 0.013 . 1 . . . A 337 HIS H . 17490 1 599 . 1 1 47 47 HIS HA H 1 4.52 0.021 . 1 . . . A 337 HIS HA . 17490 1 600 . 1 1 47 47 HIS HB2 H 1 3.556 0.01 . 2 . . . A 337 HIS HB2 . 17490 1 601 . 1 1 47 47 HIS HB3 H 1 3.288 0.01 . 2 . . . A 337 HIS HB3 . 17490 1 602 . 1 1 47 47 HIS C C 13 174.787 0 . . . . . A 337 HIS C . 17490 1 603 . 1 1 47 47 HIS CA C 13 56.387 0.158 . 1 . . . A 337 HIS CA . 17490 1 604 . 1 1 47 47 HIS CB C 13 24.947 0.137 . 1 . . . A 337 HIS CB . 17490 1 605 . 1 1 47 47 HIS N N 15 111.685 0.048 . 1 . . . A 337 HIS N . 17490 1 606 . 1 1 48 48 ILE H H 1 7.963 0.005 . 1 . . . A 338 ILE H . 17490 1 607 . 1 1 48 48 ILE HA H 1 4.433 0.009 . 1 . . . A 338 ILE HA . 17490 1 608 . 1 1 48 48 ILE HB H 1 1.931 0.01 . 1 . . . A 338 ILE HB . 17490 1 609 . 1 1 48 48 ILE HG12 H 1 1.409 0.007 . 2 . . . A 338 ILE HG12 . 17490 1 610 . 1 1 48 48 ILE HG13 H 1 1.151 0.006 . 2 . . . A 338 ILE HG13 . 17490 1 611 . 1 1 48 48 ILE HG21 H 1 1.118 0.01 . 1 . . . A 338 ILE HG21 . 17490 1 612 . 1 1 48 48 ILE HG22 H 1 1.118 0.01 . 1 . . . A 338 ILE HG22 . 17490 1 613 . 1 1 48 48 ILE HG23 H 1 1.118 0.01 . 1 . . . A 338 ILE HG22 . 17490 1 614 . 1 1 48 48 ILE HD11 H 1 1.077 0.01 . . . . . A 338 ILE HD11 . 17490 1 615 . 1 1 48 48 ILE HD12 H 1 1.077 0.01 . . . . . A 338 ILE HD12 . 17490 1 616 . 1 1 48 48 ILE HD13 H 1 1.077 0.01 . . . . . A 338 ILE HD13 . 17490 1 617 . 1 1 48 48 ILE C C 13 175.031 0 . . . . . A 338 ILE C . 17490 1 618 . 1 1 48 48 ILE CA C 13 60.737 0.062 . 1 . . . A 338 ILE CA . 17490 1 619 . 1 1 48 48 ILE CB C 13 38.861 0.06 . 1 . . . A 338 ILE CB . 17490 1 620 . 1 1 48 48 ILE CG1 C 13 27.307 0.084 . 1 . . . A 338 ILE CG1 . 17490 1 621 . 1 1 48 48 ILE CG2 C 13 18.313 0.01 . 1 . . . A 338 ILE CG2 . 17490 1 622 . 1 1 48 48 ILE CD1 C 13 15.211 0.042 . . . . . A 338 ILE CD1 . 17490 1 623 . 1 1 48 48 ILE N N 15 118.069 0.063 . 1 . . . A 338 ILE N . 17490 1 624 . 1 1 49 49 ASN H H 1 9.222 0.005 . 1 . . . A 339 ASN H . 17490 1 625 . 1 1 49 49 ASN HA H 1 4.691 0.008 . 1 . . . A 339 ASN HA . 17490 1 626 . 1 1 49 49 ASN HB2 H 1 2.738 0.003 . 2 . . . A 339 ASN HB2 . 17490 1 627 . 1 1 49 49 ASN HB3 H 1 2.738 0.003 . 2 . . . A 339 ASN HB3 . 17490 1 628 . 1 1 49 49 ASN C C 13 176.381 0 . . . . . A 339 ASN C . 17490 1 629 . 1 1 49 49 ASN CA C 13 53.296 0.063 . 1 . . . A 339 ASN CA . 17490 1 630 . 1 1 49 49 ASN CB C 13 40.57 0.075 . 1 . . . A 339 ASN CB . 17490 1 631 . 1 1 49 49 ASN N N 15 123.991 0.05 . 1 . . . A 339 ASN N . 17490 1 632 . 1 1 50 50 GLU H H 1 8.971 0.006 . 1 . . . A 340 GLU H . 17490 1 633 . 1 1 50 50 GLU HA H 1 3.792 0.005 . 1 . . . A 340 GLU HA . 17490 1 634 . 1 1 50 50 GLU HB2 H 1 2.057 0.012 . 2 . . . A 340 GLU HB2 . 17490 1 635 . 1 1 50 50 GLU HB3 H 1 1.941 0.005 . 2 . . . A 340 GLU HB3 . 17490 1 636 . 1 1 50 50 GLU HG2 H 1 2.196 0.003 . 2 . . . A 340 GLU HG2 . 17490 1 637 . 1 1 50 50 GLU HG3 H 1 2.196 0.003 . 2 . . . A 340 GLU HG3 . 17490 1 638 . 1 1 50 50 GLU C C 13 177.988 0 . . . . . A 340 GLU C . 17490 1 639 . 1 1 50 50 GLU CA C 13 59.807 0.063 . 1 . . . A 340 GLU CA . 17490 1 640 . 1 1 50 50 GLU CB C 13 29.143 0.1 . 1 . . . A 340 GLU CB . 17490 1 641 . 1 1 50 50 GLU CG C 13 35.636 0.056 . 1 . . . A 340 GLU CG . 17490 1 642 . 1 1 50 50 GLU N N 15 125.549 0.035 . 1 . . . A 340 GLU N . 17490 1 643 . 1 1 51 51 LYS H H 1 8.424 0.006 . 1 . . . A 341 LYS H . 17490 1 644 . 1 1 51 51 LYS HA H 1 4.117 0.007 . 1 . . . A 341 LYS HA . 17490 1 645 . 1 1 51 51 LYS HB2 H 1 1.738 0.005 . 2 . . . A 341 LYS HB2 . 17490 1 646 . 1 1 51 51 LYS HB3 H 1 1.738 0.005 . 2 . . . A 341 LYS HB3 . 17490 1 647 . 1 1 51 51 LYS HG2 H 1 1.402 0 . 2 . . . A 341 LYS HG2 . 17490 1 648 . 1 1 51 51 LYS HG3 H 1 1.354 0.004 . 2 . . . A 341 LYS HG3 . 17490 1 649 . 1 1 51 51 LYS HD2 H 1 1.647 0.007 . 2 . . . A 341 LYS HD2 . 17490 1 650 . 1 1 51 51 LYS HD3 H 1 1.647 0.007 . 2 . . . A 341 LYS HD3 . 17490 1 651 . 1 1 51 51 LYS HE2 H 1 2.939 0.011 . 2 . . . A 341 LYS HE2 . 17490 1 652 . 1 1 51 51 LYS HE3 H 1 2.939 0.011 . 2 . . . A 341 LYS HE3 . 17490 1 653 . 1 1 51 51 LYS C C 13 177.283 0 . . . . . A 341 LYS C . 17490 1 654 . 1 1 51 51 LYS CA C 13 57.718 0.063 . 1 . . . A 341 LYS CA . 17490 1 655 . 1 1 51 51 LYS CB C 13 31.65 0.061 . 1 . . . A 341 LYS CB . 17490 1 656 . 1 1 51 51 LYS CG C 13 24.973 0.017 . 1 . . . A 341 LYS CG . 17490 1 657 . 1 1 51 51 LYS CD C 13 28.781 0.045 . 1 . . . A 341 LYS CD . 17490 1 658 . 1 1 51 51 LYS CE C 13 41.996 0 . 1 . . . A 341 LYS CE . 17490 1 659 . 1 1 51 51 LYS N N 15 116.019 0.042 . 1 . . . A 341 LYS N . 17490 1 660 . 1 1 52 52 ASP H H 1 7.908 0.009 . 1 . . . A 342 ASP H . 17490 1 661 . 1 1 52 52 ASP HA H 1 4.444 0.006 . 1 . . . A 342 ASP HA . 17490 1 662 . 1 1 52 52 ASP HB2 H 1 2.621 0.007 . 2 . . . A 342 ASP HB2 . 17490 1 663 . 1 1 52 52 ASP HB3 H 1 2.168 0.005 . 2 . . . A 342 ASP HB3 . 17490 1 664 . 1 1 52 52 ASP C C 13 175.454 0 . . . . . A 342 ASP C . 17490 1 665 . 1 1 52 52 ASP CA C 13 56.002 0.093 . 1 . . . A 342 ASP CA . 17490 1 666 . 1 1 52 52 ASP CB C 13 41.937 0.087 . 1 . . . A 342 ASP CB . 17490 1 667 . 1 1 52 52 ASP N N 15 117.576 0.046 . 1 . . . A 342 ASP N . 17490 1 668 . 1 1 53 53 ILE H H 1 7.48 0.008 . 1 . . . A 343 ILE H . 17490 1 669 . 1 1 53 53 ILE HA H 1 3.875 0.008 . 1 . . . A 343 ILE HA . 17490 1 670 . 1 1 53 53 ILE HB H 1 1.855 0.009 . 1 . . . A 343 ILE HB . 17490 1 671 . 1 1 53 53 ILE HG12 H 1 0.65 0.002 . 2 . . . A 343 ILE HG12 . 17490 1 672 . 1 1 53 53 ILE HG13 H 1 0.65 0.002 . 2 . . . A 343 ILE HG13 . 17490 1 673 . 1 1 53 53 ILE HG21 H 1 0.524 0.008 . 1 . . . A 343 ILE HG21 . 17490 1 674 . 1 1 53 53 ILE HG22 H 1 0.524 0.008 . 1 . . . A 343 ILE HG22 . 17490 1 675 . 1 1 53 53 ILE HG23 H 1 0.524 0.008 . 1 . . . A 343 ILE HG23 . 17490 1 676 . 1 1 53 53 ILE HD11 H 1 0.822 0.007 . . . . . A 343 ILE HD11 . 17490 1 677 . 1 1 53 53 ILE HD12 H 1 0.822 0.007 . . . . . A 343 ILE HD12 . 17490 1 678 . 1 1 53 53 ILE HD13 H 1 0.822 0.007 . . . . . A 343 ILE HD13 . 17490 1 679 . 1 1 53 53 ILE C C 13 174.966 0 . . . . . A 343 ILE C . 17490 1 680 . 1 1 53 53 ILE CA C 13 61.101 0.171 . 1 . . . A 343 ILE CA . 17490 1 681 . 1 1 53 53 ILE CB C 13 39.931 0.051 . 1 . . . A 343 ILE CB . 17490 1 682 . 1 1 53 53 ILE CG1 C 13 27.644 0.04 . 1 . . . A 343 ILE CG1 . 17490 1 683 . 1 1 53 53 ILE CG2 C 13 17.644 0.036 . 1 . . . A 343 ILE CG2 . 17490 1 684 . 1 1 53 53 ILE CD1 C 13 14.989 0.098 . . . . . A 343 ILE CD1 . 17490 1 685 . 1 1 53 53 ILE N N 15 120.515 0.044 . 1 . . . A 343 ILE N . 17490 1 686 . 1 1 54 54 ARG H H 1 9.063 0.01 . 1 . . . A 344 ARG H . 17490 1 687 . 1 1 54 54 ARG HA H 1 4.291 0.007 . 1 . . . A 344 ARG HA . 17490 1 688 . 1 1 54 54 ARG HB2 H 1 1.614 0.007 . 2 . . . A 344 ARG HB2 . 17490 1 689 . 1 1 54 54 ARG HB3 H 1 1.342 0.01 . 2 . . . A 344 ARG HB3 . 17490 1 690 . 1 1 54 54 ARG HG2 H 1 1.417 0.005 . 2 . . . A 344 ARG HG2 . 17490 1 691 . 1 1 54 54 ARG HG3 H 1 1.417 0.005 . 2 . . . A 344 ARG HG3 . 17490 1 692 . 1 1 54 54 ARG HD2 H 1 3.118 0.005 . 2 . . . A 344 ARG HD2 . 17490 1 693 . 1 1 54 54 ARG HD3 H 1 3.118 0.005 . 2 . . . A 344 ARG HD3 . 17490 1 694 . 1 1 54 54 ARG C C 13 176.642 0 . . . . . A 344 ARG C . 17490 1 695 . 1 1 54 54 ARG CA C 13 57.55 0.106 . 1 . . . A 344 ARG CA . 17490 1 696 . 1 1 54 54 ARG CB C 13 30.848 0.074 . 1 . . . A 344 ARG CB . 17490 1 697 . 1 1 54 54 ARG CG C 13 27.354 0.056 . 1 . . . A 344 ARG CG . 17490 1 698 . 1 1 54 54 ARG CD C 13 43.012 0.039 . 1 . . . A 344 ARG CD . 17490 1 699 . 1 1 54 54 ARG N N 15 125.353 0.044 . 1 . . . A 344 ARG N . 17490 1 700 . 1 1 55 55 LYS H H 1 7.569 0.008 . 1 . . . A 345 LYS H . 17490 1 701 . 1 1 55 55 LYS HA H 1 4.417 0.007 . 1 . . . A 345 LYS HA . 17490 1 702 . 1 1 55 55 LYS HB2 H 1 1.652 0.001 . 2 . . . A 345 LYS HB2 . 17490 1 703 . 1 1 55 55 LYS HB3 H 1 1.605 0.007 . 2 . . . A 345 LYS HB3 . 17490 1 704 . 1 1 55 55 LYS HG2 H 1 1.302 0.001 . 2 . . . A 345 LYS HG2 . 17490 1 705 . 1 1 55 55 LYS HG3 H 1 1.26 0.001 . 2 . . . A 345 LYS HG3 . 17490 1 706 . 1 1 55 55 LYS HD2 H 1 1.657 0.001 . 2 . . . A 345 LYS HD2 . 17490 1 707 . 1 1 55 55 LYS HD3 H 1 1.657 0.001 . 2 . . . A 345 LYS HD3 . 17490 1 708 . 1 1 55 55 LYS HE2 H 1 2.868 0 . 2 . . . A 345 LYS HE2 . 17490 1 709 . 1 1 55 55 LYS HE3 H 1 2.828 0 . 2 . . . A 345 LYS HE3 . 17490 1 710 . 1 1 55 55 LYS C C 13 173.004 0 . . . . . A 345 LYS C . 17490 1 711 . 1 1 55 55 LYS CA C 13 55.873 0.061 . 1 . . . A 345 LYS CA . 17490 1 712 . 1 1 55 55 LYS CB C 13 36.582 0.043 . 1 . . . A 345 LYS CB . 17490 1 713 . 1 1 55 55 LYS CG C 13 24.817 0.009 . 1 . . . A 345 LYS CG . 17490 1 714 . 1 1 55 55 LYS CD C 13 28.739 0.099 . 1 . . . A 345 LYS CD . 17490 1 715 . 1 1 55 55 LYS CE C 13 41.757 0 . 1 . . . A 345 LYS CE . 17490 1 716 . 1 1 55 55 LYS N N 15 116.212 0.044 . 1 . . . A 345 LYS N . 17490 1 717 . 1 1 56 56 ILE H H 1 8.229 0.006 . 1 . . . A 346 ILE H . 17490 1 718 . 1 1 56 56 ILE HA H 1 4.731 0.006 . 1 . . . A 346 ILE HA . 17490 1 719 . 1 1 56 56 ILE HB H 1 1.597 0.007 . 1 . . . A 346 ILE HB . 17490 1 720 . 1 1 56 56 ILE HG12 H 1 1.485 0.012 . 2 . . . A 346 ILE HG12 . 17490 1 721 . 1 1 56 56 ILE HG13 H 1 1.485 0.012 . 2 . . . A 346 ILE HG13 . 17490 1 722 . 1 1 56 56 ILE HG21 H 1 0.7 0.006 . 1 . . . A 346 ILE HG21 . 17490 1 723 . 1 1 56 56 ILE HG22 H 1 0.7 0.006 . 1 . . . A 346 ILE HG22 . 17490 1 724 . 1 1 56 56 ILE HG23 H 1 0.7 0.006 . 1 . . . A 346 ILE HG23 . 17490 1 725 . 1 1 56 56 ILE HD11 H 1 0.807 0.007 . . . . . A 346 ILE HD11 . 17490 1 726 . 1 1 56 56 ILE HD12 H 1 0.807 0.007 . . . . . A 346 ILE HD12 . 17490 1 727 . 1 1 56 56 ILE HD13 H 1 0.807 0.007 . . . . . A 346 ILE HD13 . 17490 1 728 . 1 1 56 56 ILE C C 13 174.163 0 . . . . . A 346 ILE C . 17490 1 729 . 1 1 56 56 ILE CA C 13 60.843 0.056 . 1 . . . A 346 ILE CA . 17490 1 730 . 1 1 56 56 ILE CB C 13 40.816 0.089 . 1 . . . A 346 ILE CB . 17490 1 731 . 1 1 56 56 ILE CG1 C 13 27.868 0.021 . 1 . . . A 346 ILE CG1 . 17490 1 732 . 1 1 56 56 ILE CG2 C 13 17.145 0.03 . 1 . . . A 346 ILE CG2 . 17490 1 733 . 1 1 56 56 ILE CD1 C 13 14.329 0.113 . . . . . A 346 ILE CD1 . 17490 1 734 . 1 1 56 56 ILE N N 15 122.685 0.044 . 1 . . . A 346 ILE N . 17490 1 735 . 1 1 57 57 LEU H H 1 9.279 0.008 . 1 . . . A 347 LEU H . 17490 1 736 . 1 1 57 57 LEU HA H 1 4.775 0.007 . 1 . . . A 347 LEU HA . 17490 1 737 . 1 1 57 57 LEU HB2 H 1 1.492 0.007 . 2 . . . A 347 LEU HB2 . 17490 1 738 . 1 1 57 57 LEU HB3 H 1 1.358 0.009 . 2 . . . A 347 LEU HB3 . 17490 1 739 . 1 1 57 57 LEU HG H 1 0.719 0.009 . 1 . . . A 347 LEU HG . 17490 1 740 . 1 1 57 57 LEU HD11 H 1 0.916 0.01 . . . . . A 347 LEU HD11 . 17490 1 741 . 1 1 57 57 LEU HD12 H 1 0.916 0.01 . . . . . A 347 LEU HD12 . 17490 1 742 . 1 1 57 57 LEU HD13 H 1 0.916 0.01 . . . . . A 347 LEU HD13 . 17490 1 743 . 1 1 57 57 LEU HD21 H 1 0.916 0.01 . . . . . A 347 LEU HD21 . 17490 1 744 . 1 1 57 57 LEU HD22 H 1 0.916 0.01 . . . . . A 347 LEU HD22 . 17490 1 745 . 1 1 57 57 LEU HD23 H 1 0.916 0.01 . . . . . A 347 LEU HD23 . 17490 1 746 . 1 1 57 57 LEU C C 13 175.764 0 . . . . . A 347 LEU C . 17490 1 747 . 1 1 57 57 LEU CA C 13 52.746 0.05 . 1 . . . A 347 LEU CA . 17490 1 748 . 1 1 57 57 LEU CB C 13 45.364 0.072 . 1 . . . A 347 LEU CB . 17490 1 749 . 1 1 57 57 LEU CG C 13 26.486 0.063 . 1 . . . A 347 LEU CG . 17490 1 750 . 1 1 57 57 LEU CD1 C 13 24.317 0.014 . . . . . A 347 LEU CD1 . 17490 1 751 . 1 1 57 57 LEU CD2 C 13 24.317 0.014 . . . . . A 347 LEU CD2 . 17490 1 752 . 1 1 57 57 LEU N N 15 126.095 0.042 . 1 . . . A 347 LEU N . 17490 1 753 . 1 1 58 58 LEU H H 1 8.925 0.006 . 1 . . . A 348 LEU H . 17490 1 754 . 1 1 58 58 LEU HA H 1 4.338 0.017 . 1 . . . A 348 LEU HA . 17490 1 755 . 1 1 58 58 LEU HB2 H 1 1.807 0.012 . 2 . . . A 348 LEU HB2 . 17490 1 756 . 1 1 58 58 LEU HB3 H 1 1.571 0.011 . 2 . . . A 348 LEU HB3 . 17490 1 757 . 1 1 58 58 LEU HD11 H 1 0.988 0.003 . 2 . . . A 348 LEU HD11 . 17490 1 758 . 1 1 58 58 LEU HD12 H 1 0.988 0.003 . 2 . . . A 348 LEU HD12 . 17490 1 759 . 1 1 58 58 LEU HD13 H 1 0.988 0.003 . 2 . . . A 348 LEU HD13 . 17490 1 760 . 1 1 58 58 LEU HD21 H 1 0.692 0.006 . 2 . . . A 348 LEU HD21 . 17490 1 761 . 1 1 58 58 LEU HD22 H 1 0.692 0.006 . 2 . . . A 348 LEU HD22 . 17490 1 762 . 1 1 58 58 LEU HD23 H 1 0.692 0.006 . 2 . . . A 348 LEU HD23 . 17490 1 763 . 1 1 58 58 LEU C C 13 176.476 0 . . . . . A 348 LEU C . 17490 1 764 . 1 1 58 58 LEU CA C 13 55.221 0.09 . 1 . . . A 348 LEU CA . 17490 1 765 . 1 1 58 58 LEU CB C 13 41.496 0.091 . 1 . . . A 348 LEU CB . 17490 1 766 . 1 1 58 58 LEU CG C 13 27.215 0 . 1 . . . A 348 LEU CG . 17490 1 767 . 1 1 58 58 LEU CD1 C 13 25.639 0.094 . 2 . . . A 348 LEU CD1 . 17490 1 768 . 1 1 58 58 LEU CD2 C 13 22.337 0.143 . 2 . . . A 348 LEU CD2 . 17490 1 769 . 1 1 58 58 LEU N N 15 122.946 0.054 . 1 . . . A 348 LEU N . 17490 1 770 . 1 1 59 59 VAL H H 1 8.637 0.01 . 1 . . . A 349 VAL H . 17490 1 771 . 1 1 59 59 VAL HA H 1 4.385 0.014 . 1 . . . A 349 VAL HA . 17490 1 772 . 1 1 59 59 VAL HB H 1 1.974 0.006 . 1 . . . A 349 VAL HB . 17490 1 773 . 1 1 59 59 VAL HG11 H 1 1.055 0.006 . 2 . . . A 349 VAL HG11 . 17490 1 774 . 1 1 59 59 VAL HG12 H 1 1.055 0.006 . 2 . . . A 349 VAL HG12 . 17490 1 775 . 1 1 59 59 VAL HG13 H 1 1.055 0.006 . 2 . . . A 349 VAL HG13 . 17490 1 776 . 1 1 59 59 VAL HG21 H 1 0.865 0.006 . 2 . . . A 349 VAL HG21 . 17490 1 777 . 1 1 59 59 VAL HG22 H 1 0.865 0.006 . 2 . . . A 349 VAL HG22 . 17490 1 778 . 1 1 59 59 VAL HG23 H 1 0.865 0.006 . 2 . . . A 349 VAL HG23 . 17490 1 779 . 1 1 59 59 VAL C C 13 176.335 0 . . . . . A 349 VAL C . 17490 1 780 . 1 1 59 59 VAL CA C 13 59.595 0.045 . 1 . . . A 349 VAL CA . 17490 1 781 . 1 1 59 59 VAL CB C 13 31.1 0.077 . 1 . . . A 349 VAL CB . 17490 1 782 . 1 1 59 59 VAL CG1 C 13 24.063 0.042 . 2 . . . A 349 VAL CG1 . 17490 1 783 . 1 1 59 59 VAL CG2 C 13 20.994 0.05 . 2 . . . A 349 VAL CG2 . 17490 1 784 . 1 1 59 59 VAL N N 15 123.378 0.051 . 1 . . . A 349 VAL N . 17490 1 785 . 1 1 60 60 SER H H 1 8.755 0.006 . 1 . . . A 350 SER H . 17490 1 786 . 1 1 60 60 SER HA H 1 3.907 0.007 . 1 . . . A 350 SER HA . 17490 1 787 . 1 1 60 60 SER HB2 H 1 4.292 0.004 . 2 . . . A 350 SER HB2 . 17490 1 788 . 1 1 60 60 SER HB3 H 1 4.292 0.004 . 2 . . . A 350 SER HB3 . 17490 1 789 . 1 1 60 60 SER C C 13 177.518 0 . . . . . A 350 SER C . 17490 1 790 . 1 1 60 60 SER CA C 13 62.261 0.129 . 1 . . . A 350 SER CA . 17490 1 791 . 1 1 60 60 SER CB C 13 62.301 0 . 1 . . . A 350 SER CB . 17490 1 792 . 1 1 60 60 SER N N 15 124.152 0.05 . 1 . . . A 350 SER N . 17490 1 793 . 1 1 61 61 ASP H H 1 9.011 0.007 . 1 . . . A 351 ASP H . 17490 1 794 . 1 1 61 61 ASP HA H 1 3.964 0.004 . 1 . . . A 351 ASP HA . 17490 1 795 . 1 1 61 61 ASP HB2 H 1 1.809 0.005 . 2 . . . A 351 ASP HB2 . 17490 1 796 . 1 1 61 61 ASP HB3 H 1 1.809 0.005 . 2 . . . A 351 ASP HB3 . 17490 1 797 . 1 1 61 61 ASP C C 13 174.721 0 . . . . . A 351 ASP C . 17490 1 798 . 1 1 61 61 ASP CA C 13 56.162 0.054 . 1 . . . A 351 ASP CA . 17490 1 799 . 1 1 61 61 ASP CB C 13 40.102 0.051 . 1 . . . A 351 ASP CB . 17490 1 800 . 1 1 61 61 ASP N N 15 119.224 0.04 . 1 . . . A 351 ASP N . 17490 1 801 . 1 1 62 62 PHE H H 1 6.702 0.008 . 1 . . . A 352 PHE H . 17490 1 802 . 1 1 62 62 PHE HA H 1 3.983 0.007 . 1 . . . A 352 PHE HA . 17490 1 803 . 1 1 62 62 PHE HB2 H 1 3.174 0.008 . 2 . . . A 352 PHE HB2 . 17490 1 804 . 1 1 62 62 PHE HB3 H 1 2.143 0.007 . 2 . . . A 352 PHE HB3 . 17490 1 805 . 1 1 62 62 PHE HD1 H 1 6.701 0.003 . 3 . . . A 352 PHE HD1 . 17490 1 806 . 1 1 62 62 PHE HD2 H 1 6.701 0.003 . 3 . . . A 352 PHE HD2 . 17490 1 807 . 1 1 62 62 PHE HE1 H 1 7.125 0.037 . 3 . . . A 352 PHE HE1 . 17490 1 808 . 1 1 62 62 PHE HE2 H 1 7.125 0.037 . 3 . . . A 352 PHE HE2 . 17490 1 809 . 1 1 62 62 PHE C C 13 173.268 0 . . . . . A 352 PHE C . 17490 1 810 . 1 1 62 62 PHE CA C 13 56.221 0.096 . 1 . . . A 352 PHE CA . 17490 1 811 . 1 1 62 62 PHE CB C 13 39.789 0.068 . 1 . . . A 352 PHE CB . 17490 1 812 . 1 1 62 62 PHE CD1 C 13 129.825 0 . . . . . A 352 PHE CD1 . 17490 1 813 . 1 1 62 62 PHE CD2 C 13 129.825 0 . . . . . A 352 PHE CD2 . 17490 1 814 . 1 1 62 62 PHE N N 15 110.179 0.04 . 1 . . . A 352 PHE N . 17490 1 815 . 1 1 63 63 ASN H H 1 7.708 0.01 . 1 . . . A 353 ASN H . 17490 1 816 . 1 1 63 63 ASN HA H 1 4.665 0.007 . 1 . . . A 353 ASN HA . 17490 1 817 . 1 1 63 63 ASN HB2 H 1 3.35 0.003 . 2 . . . A 353 ASN HB2 . 17490 1 818 . 1 1 63 63 ASN HB3 H 1 3.258 0 . 2 . . . A 353 ASN HB3 . 17490 1 819 . 1 1 63 63 ASN HD21 H 1 7.858 0 . 2 . . . A 353 ASN HD21 . 17490 1 820 . 1 1 63 63 ASN HD22 H 1 7.096 0 . 2 . . . A 353 ASN HD22 . 17490 1 821 . 1 1 63 63 ASN C C 13 174.36 0 . . . . . A 353 ASN C . 17490 1 822 . 1 1 63 63 ASN CA C 13 54.158 0.07 . 1 . . . A 353 ASN CA . 17490 1 823 . 1 1 63 63 ASN CB C 13 37.889 0.067 . 1 . . . A 353 ASN CB . 17490 1 824 . 1 1 63 63 ASN N N 15 114.98 0.044 . 1 . . . A 353 ASN N . 17490 1 825 . 1 1 63 63 ASN ND2 N 15 111.4 0 . 1 . . . A 353 ASN ND2 . 17490 1 826 . 1 1 64 64 GLY H H 1 7.722 0.01 . 1 . . . A 354 GLY H . 17490 1 827 . 1 1 64 64 GLY HA2 H 1 5.348 0.008 . 2 . . . A 354 GLY HA2 . 17490 1 828 . 1 1 64 64 GLY HA3 H 1 4.061 0.011 . 2 . . . A 354 GLY HA3 . 17490 1 829 . 1 1 64 64 GLY C C 13 173.093 0 . . . . . A 354 GLY C . 17490 1 830 . 1 1 64 64 GLY CA C 13 45.413 0.082 . 1 . . . A 354 GLY CA . 17490 1 831 . 1 1 64 64 GLY N N 15 102.117 0.049 . 1 . . . A 354 GLY N . 17490 1 832 . 1 1 65 65 ALA H H 1 8.785 0.011 . 1 . . . A 355 ALA H . 17490 1 833 . 1 1 65 65 ALA HA H 1 5.055 0.005 . 1 . . . A 355 ALA HA . 17490 1 834 . 1 1 65 65 ALA HB1 H 1 1.084 0.01 . 1 . . . A 355 ALA HB1 . 17490 1 835 . 1 1 65 65 ALA HB2 H 1 1.084 0.01 . 1 . . . A 355 ALA HB2 . 17490 1 836 . 1 1 65 65 ALA HB3 H 1 1.084 0.01 . 1 . . . A 355 ALA HB3 . 17490 1 837 . 1 1 65 65 ALA C C 13 174.731 0 . . . . . A 355 ALA C . 17490 1 838 . 1 1 65 65 ALA CA C 13 51.429 0.024 . 1 . . . A 355 ALA CA . 17490 1 839 . 1 1 65 65 ALA CB C 13 22.924 0.078 . 1 . . . A 355 ALA CB . 17490 1 840 . 1 1 65 65 ALA N N 15 120.262 0.055 . 1 . . . A 355 ALA N . 17490 1 841 . 1 1 66 66 ILE H H 1 9.39 0.007 . 1 . . . A 356 ILE H . 17490 1 842 . 1 1 66 66 ILE HA H 1 4.711 0.01 . 1 . . . A 356 ILE HA . 17490 1 843 . 1 1 66 66 ILE HB H 1 1.493 0.011 . 1 . . . A 356 ILE HB . 17490 1 844 . 1 1 66 66 ILE HG12 H 1 1.2 0.011 . . . . . A 356 ILE HG12 . 17490 1 845 . 1 1 66 66 ILE HG13 H 1 1.2 0.011 . . . . . A 356 ILE HG13 . 17490 1 846 . 1 1 66 66 ILE HG21 H 1 0.83 0.007 . 1 . . . A 356 ILE HG21 . 17490 1 847 . 1 1 66 66 ILE HG22 H 1 0.83 0.007 . 1 . . . A 356 ILE HG22 . 17490 1 848 . 1 1 66 66 ILE HG23 H 1 0.83 0.007 . 1 . . . A 356 ILE HG23 . 17490 1 849 . 1 1 66 66 ILE HD11 H 1 0.821 0.01 . . . . . A 356 ILE HD11 . 17490 1 850 . 1 1 66 66 ILE HD12 H 1 0.821 0.01 . . . . . A 356 ILE HD12 . 17490 1 851 . 1 1 66 66 ILE HD13 H 1 0.821 0.01 . . . . . A 356 ILE HD13 . 17490 1 852 . 1 1 66 66 ILE C C 13 174.154 0 . . . . . A 356 ILE C . 17490 1 853 . 1 1 66 66 ILE CA C 13 60.57 0.031 . 1 . . . A 356 ILE CA . 17490 1 854 . 1 1 66 66 ILE CB C 13 41.943 0.061 . 1 . . . A 356 ILE CB . 17490 1 855 . 1 1 66 66 ILE CG1 C 13 28.755 0 . 1 . . . A 356 ILE CG1 . 17490 1 856 . 1 1 66 66 ILE CG2 C 13 18.745 0.087 . 1 . . . A 356 ILE CG2 . 17490 1 857 . 1 1 66 66 ILE CD1 C 13 14.11 0.162 . . . . . A 356 ILE CD1 . 17490 1 858 . 1 1 66 66 ILE N N 15 121.244 0.044 . 1 . . . A 356 ILE N . 17490 1 859 . 1 1 67 67 ILE H H 1 9.291 0.008 . 1 . . . A 357 ILE H . 17490 1 860 . 1 1 67 67 ILE HA H 1 4.433 0.01 . 1 . . . A 357 ILE HA . 17490 1 861 . 1 1 67 67 ILE HB H 1 1.573 0.006 . 1 . . . A 357 ILE HB . 17490 1 862 . 1 1 67 67 ILE HG12 H 1 1.279 0.008 . 2 . . . A 357 ILE HG12 . 17490 1 863 . 1 1 67 67 ILE HG13 H 1 1.017 0.003 . 2 . . . A 357 ILE HG13 . 17490 1 864 . 1 1 67 67 ILE HG21 H 1 -0.007 0.003 . 1 . . . A 357 ILE HG21 . 17490 1 865 . 1 1 67 67 ILE HG22 H 1 -0.007 0.003 . 1 . . . A 357 ILE HG22 . 17490 1 866 . 1 1 67 67 ILE HG23 H 1 -0.007 0.003 . 1 . . . A 357 ILE HG23 . 17490 1 867 . 1 1 67 67 ILE HD11 H 1 0.708 0.002 . . . . . A 357 ILE HD11 . 17490 1 868 . 1 1 67 67 ILE HD12 H 1 0.708 0.002 . . . . . A 357 ILE HD12 . 17490 1 869 . 1 1 67 67 ILE HD13 H 1 0.708 0.002 . . . . . A 357 ILE HD13 . 17490 1 870 . 1 1 67 67 ILE C C 13 174.004 0 . . . . . A 357 ILE C . 17490 1 871 . 1 1 67 67 ILE CA C 13 59.826 0.047 . 1 . . . A 357 ILE CA . 17490 1 872 . 1 1 67 67 ILE CB C 13 38.965 0.087 . 1 . . . A 357 ILE CB . 17490 1 873 . 1 1 67 67 ILE CG1 C 13 27.763 0.044 . 1 . . . A 357 ILE CG1 . 17490 1 874 . 1 1 67 67 ILE CG2 C 13 19.125 0.018 . 1 . . . A 357 ILE CG2 . 17490 1 875 . 1 1 67 67 ILE CD1 C 13 14.687 0.08 . . . . . A 357 ILE CD1 . 17490 1 876 . 1 1 67 67 ILE N N 15 127.255 0.06 . 1 . . . A 357 ILE N . 17490 1 877 . 1 1 68 68 ILE H H 1 8.681 0.007 . 1 . . . A 358 ILE H . 17490 1 878 . 1 1 68 68 ILE HA H 1 4.293 0.008 . 1 . . . A 358 ILE HA . 17490 1 879 . 1 1 68 68 ILE HB H 1 1.589 0.005 . 1 . . . A 358 ILE HB . 17490 1 880 . 1 1 68 68 ILE HG12 H 1 1.413 0.006 . 2 . . . A 358 ILE HG12 . 17490 1 881 . 1 1 68 68 ILE HG13 H 1 1.413 0.006 . 2 . . . A 358 ILE HG13 . 17490 1 882 . 1 1 68 68 ILE HG21 H 1 0.954 0.007 . 1 . . . A 358 ILE HG21 . 17490 1 883 . 1 1 68 68 ILE HG22 H 1 0.954 0.007 . 1 . . . A 358 ILE HG22 . 17490 1 884 . 1 1 68 68 ILE HG23 H 1 0.954 0.007 . 1 . . . A 358 ILE HG23 . 17490 1 885 . 1 1 68 68 ILE HD11 H 1 0.717 0.004 . . . . . A 358 ILE HD11 . 17490 1 886 . 1 1 68 68 ILE HD12 H 1 0.717 0.004 . . . . . A 358 ILE HD12 . 17490 1 887 . 1 1 68 68 ILE HD13 H 1 0.717 0.004 . . . . . A 358 ILE HD13 . 17490 1 888 . 1 1 68 68 ILE C C 13 176.052 0 . . . . . A 358 ILE C . 17490 1 889 . 1 1 68 68 ILE CA C 13 61.079 0.099 . 1 . . . A 358 ILE CA . 17490 1 890 . 1 1 68 68 ILE CB C 13 38.373 0.11 . 1 . . . A 358 ILE CB . 17490 1 891 . 1 1 68 68 ILE CG1 C 13 27.733 0.003 . 1 . . . A 358 ILE CG1 . 17490 1 892 . 1 1 68 68 ILE CG2 C 13 17.574 0.041 . 1 . . . A 358 ILE CG2 . 17490 1 893 . 1 1 68 68 ILE CD1 C 13 13.21 0.053 . . . . . A 358 ILE CD1 . 17490 1 894 . 1 1 68 68 ILE N N 15 124.623 0.052 . 1 . . . A 358 ILE N . 17490 1 895 . 1 1 69 69 PHE H H 1 9.086 0.008 . 1 . . . A 359 PHE H . 17490 1 896 . 1 1 69 69 PHE HA H 1 5.13 0.015 . 1 . . . A 359 PHE HA . 17490 1 897 . 1 1 69 69 PHE HB2 H 1 3.71 0.006 . 2 . . . A 359 PHE HB2 . 17490 1 898 . 1 1 69 69 PHE HB3 H 1 3.064 0.004 . 2 . . . A 359 PHE HB3 . 17490 1 899 . 1 1 69 69 PHE HD1 H 1 7.471 0.003 . 3 . . . A 359 PHE HD1 . 17490 1 900 . 1 1 69 69 PHE HD2 H 1 7.471 0.003 . 3 . . . A 359 PHE HD2 . 17490 1 901 . 1 1 69 69 PHE HE1 H 1 7.177 0.005 . 3 . . . A 359 PHE HE1 . 17490 1 902 . 1 1 69 69 PHE HE2 H 1 7.177 0.005 . 3 . . . A 359 PHE HE2 . 17490 1 903 . 1 1 69 69 PHE C C 13 175.355 0 . . . . . A 359 PHE C . 17490 1 904 . 1 1 69 69 PHE CA C 13 58.156 0.066 . 1 . . . A 359 PHE CA . 17490 1 905 . 1 1 69 69 PHE CB C 13 41.592 0.13 . 1 . . . A 359 PHE CB . 17490 1 906 . 1 1 69 69 PHE CD1 C 13 131.081 0 . . . . . A 359 PHE CD1 . 17490 1 907 . 1 1 69 69 PHE CD2 C 13 131.081 0 . . . . . A 359 PHE CD2 . 17490 1 908 . 1 1 69 69 PHE CE1 C 13 129.983 0 . . . . . A 359 PHE CE1 . 17490 1 909 . 1 1 69 69 PHE CE2 C 13 129.983 0 . . . . . A 359 PHE CE2 . 17490 1 910 . 1 1 69 69 PHE N N 15 126.1 0.051 . 1 . . . A 359 PHE N . 17490 1 911 . 1 1 70 70 ARG H H 1 8.268 0.008 . 1 . . . A 360 ARG H . 17490 1 912 . 1 1 70 70 ARG HA H 1 4.068 0.006 . 1 . . . A 360 ARG HA . 17490 1 913 . 1 1 70 70 ARG HB2 H 1 1.839 0.004 . 2 . . . A 360 ARG HB2 . 17490 1 914 . 1 1 70 70 ARG HB3 H 1 1.839 0.004 . 2 . . . A 360 ARG HB3 . 17490 1 915 . 1 1 70 70 ARG HG2 H 1 1.628 0.005 . 2 . . . A 360 ARG HG2 . 17490 1 916 . 1 1 70 70 ARG HG3 H 1 1.452 0.012 . 2 . . . A 360 ARG HG3 . 17490 1 917 . 1 1 70 70 ARG HD2 H 1 3.197 0.005 . 2 . . . A 360 ARG HD2 . 17490 1 918 . 1 1 70 70 ARG HD3 H 1 3.197 0.005 . 2 . . . A 360 ARG HD3 . 17490 1 919 . 1 1 70 70 ARG C C 13 175.099 0 . . . . . A 360 ARG C . 17490 1 920 . 1 1 70 70 ARG CA C 13 58.594 0.03 . 1 . . . A 360 ARG CA . 17490 1 921 . 1 1 70 70 ARG CB C 13 30.664 0.026 . 1 . . . A 360 ARG CB . 17490 1 922 . 1 1 70 70 ARG CG C 13 27.546 0.03 . 1 . . . A 360 ARG CG . 17490 1 923 . 1 1 70 70 ARG CD C 13 43.278 0 . 1 . . . A 360 ARG CD . 17490 1 924 . 1 1 70 70 ARG N N 15 115.935 0.071 . 1 . . . A 360 ARG N . 17490 1 925 . 1 1 71 71 ASP H H 1 7.673 0.01 . 1 . . . A 361 ASP H . 17490 1 926 . 1 1 71 71 ASP HA H 1 4.88 0.002 . 1 . . . A 361 ASP HA . 17490 1 927 . 1 1 71 71 ASP HB2 H 1 2.89 0 . 2 . . . A 361 ASP HB2 . 17490 1 928 . 1 1 71 71 ASP HB3 H 1 2.859 0 . 2 . . . A 361 ASP HB3 . 17490 1 929 . 1 1 71 71 ASP C C 13 176.087 0 . . . . . A 361 ASP C . 17490 1 930 . 1 1 71 71 ASP CA C 13 53.329 0.062 . 1 . . . A 361 ASP CA . 17490 1 931 . 1 1 71 71 ASP CB C 13 44.131 0.064 . 1 . . . A 361 ASP CB . 17490 1 932 . 1 1 71 71 ASP N N 15 113.892 0.044 . 1 . . . A 361 ASP N . 17490 1 933 . 1 1 72 72 SER H H 1 9.103 0.006 . 1 . . . A 362 SER H . 17490 1 934 . 1 1 72 72 SER HA H 1 4.31 0.008 . 1 . . . A 362 SER HA . 17490 1 935 . 1 1 72 72 SER HB2 H 1 3.955 0.01 . 2 . . . A 362 SER HB2 . 17490 1 936 . 1 1 72 72 SER HB3 H 1 3.767 0.003 . 2 . . . A 362 SER HB3 . 17490 1 937 . 1 1 72 72 SER C C 13 176.6 0 . . . . . A 362 SER C . 17490 1 938 . 1 1 72 72 SER CA C 13 60.739 0.078 . 1 . . . A 362 SER CA . 17490 1 939 . 1 1 72 72 SER CB C 13 62.872 0.145 . 1 . . . A 362 SER CB . 17490 1 940 . 1 1 72 72 SER N N 15 118.59 0.053 . 1 . . . A 362 SER N . 17490 1 941 . 1 1 73 73 LYS H H 1 8.332 0.01 . 1 . . . A 363 LYS H . 17490 1 942 . 1 1 73 73 LYS HA H 1 4.134 0.007 . 1 . . . A 363 LYS HA . 17490 1 943 . 1 1 73 73 LYS HB2 H 1 1.99 0.01 . 2 . . . A 363 LYS HB2 . 17490 1 944 . 1 1 73 73 LYS HB3 H 1 1.809 0.015 . 2 . . . A 363 LYS HB3 . 17490 1 945 . 1 1 73 73 LYS HG2 H 1 1.533 0.01 . 2 . . . A 363 LYS HG2 . 17490 1 946 . 1 1 73 73 LYS HG3 H 1 1.415 0.011 . 2 . . . A 363 LYS HG3 . 17490 1 947 . 1 1 73 73 LYS HE2 H 1 2.977 0.018 . 2 . . . A 363 LYS HE2 . 17490 1 948 . 1 1 73 73 LYS HE3 H 1 2.977 0.018 . 2 . . . A 363 LYS HE3 . 17490 1 949 . 1 1 73 73 LYS C C 13 179.386 0 . . . . . A 363 LYS C . 17490 1 950 . 1 1 73 73 LYS CA C 13 59.283 0.062 . 1 . . . A 363 LYS CA . 17490 1 951 . 1 1 73 73 LYS CB C 13 31.491 0.09 . 1 . . . A 363 LYS CB . 17490 1 952 . 1 1 73 73 LYS CG C 13 25.319 0.053 . 1 . . . A 363 LYS CG . 17490 1 953 . 1 1 73 73 LYS CD C 13 28.981 0 . 1 . . . A 363 LYS CD . 17490 1 954 . 1 1 73 73 LYS CE C 13 41.894 0 . 1 . . . A 363 LYS CE . 17490 1 955 . 1 1 73 73 LYS N N 15 125.872 0.041 . 1 . . . A 363 LYS N . 17490 1 956 . 1 1 74 74 PHE H H 1 8.482 0.005 . 1 . . . A 364 PHE H . 17490 1 957 . 1 1 74 74 PHE HA H 1 3.968 0.01 . 1 . . . A 364 PHE HA . 17490 1 958 . 1 1 74 74 PHE HB2 H 1 3.172 0.014 . 2 . . . A 364 PHE HB2 . 17490 1 959 . 1 1 74 74 PHE HB3 H 1 2.982 0.005 . 2 . . . A 364 PHE HB3 . 17490 1 960 . 1 1 74 74 PHE HD1 H 1 6.88 0.006 . 3 . . . A 364 PHE HD1 . 17490 1 961 . 1 1 74 74 PHE HD2 H 1 6.88 0.006 . 3 . . . A 364 PHE HD2 . 17490 1 962 . 1 1 74 74 PHE HE1 H 1 7.22 0.022 . 3 . . . A 364 PHE HE1 . 17490 1 963 . 1 1 74 74 PHE HE2 H 1 7.22 0.022 . 3 . . . A 364 PHE HE2 . 17490 1 964 . 1 1 74 74 PHE C C 13 177.819 0 . . . . . A 364 PHE C . 17490 1 965 . 1 1 74 74 PHE CA C 13 61.588 0.257 . 1 . . . A 364 PHE CA . 17490 1 966 . 1 1 74 74 PHE CB C 13 39.963 0.07 . 1 . . . A 364 PHE CB . 17490 1 967 . 1 1 74 74 PHE CD1 C 13 129.876 0 . . . . . A 364 PHE CD1 . 17490 1 968 . 1 1 74 74 PHE CD2 C 13 129.876 0 . . . . . A 364 PHE CD2 . 17490 1 969 . 1 1 74 74 PHE CE1 C 13 128.967 0 . . . . . A 364 PHE CE1 . 17490 1 970 . 1 1 74 74 PHE CE2 C 13 128.967 0 . . . . . A 364 PHE CE2 . 17490 1 971 . 1 1 74 74 PHE N N 15 123.145 0.055 . 1 . . . A 364 PHE N . 17490 1 972 . 1 1 75 75 ALA H H 1 7.835 0.009 . 1 . . . A 365 ALA H . 17490 1 973 . 1 1 75 75 ALA HA H 1 3.396 0.009 . 1 . . . A 365 ALA HA . 17490 1 974 . 1 1 75 75 ALA HB1 H 1 1.518 0.01 . 1 . . . A 365 ALA HB1 . 17490 1 975 . 1 1 75 75 ALA HB2 H 1 1.518 0.01 . 1 . . . A 365 ALA HB2 . 17490 1 976 . 1 1 75 75 ALA HB3 H 1 1.518 0.01 . 1 . . . A 365 ALA HB3 . 17490 1 977 . 1 1 75 75 ALA C C 13 178.1 0 . . . . . A 365 ALA C . 17490 1 978 . 1 1 75 75 ALA CA C 13 55.584 0.07 . 1 . . . A 365 ALA CA . 17490 1 979 . 1 1 75 75 ALA CB C 13 18.265 0.122 . 1 . . . A 365 ALA CB . 17490 1 980 . 1 1 75 75 ALA N N 15 119.451 0.063 . 1 . . . A 365 ALA N . 17490 1 981 . 1 1 76 76 ALA H H 1 7.68 0.009 . 1 . . . A 366 ALA H . 17490 1 982 . 1 1 76 76 ALA HA H 1 4.033 0.005 . 1 . . . A 366 ALA HA . 17490 1 983 . 1 1 76 76 ALA HB1 H 1 1.481 0.003 . 1 . . . A 366 ALA HB1 . 17490 1 984 . 1 1 76 76 ALA HB2 H 1 1.481 0.003 . 1 . . . A 366 ALA HB2 . 17490 1 985 . 1 1 76 76 ALA HB3 H 1 1.481 0.003 . 1 . . . A 366 ALA HB3 . 17490 1 986 . 1 1 76 76 ALA C C 13 180.569 0 . . . . . A 366 ALA C . 17490 1 987 . 1 1 76 76 ALA CA C 13 54.996 0.076 . 1 . . . A 366 ALA CA . 17490 1 988 . 1 1 76 76 ALA CB C 13 18.04 0.116 . 1 . . . A 366 ALA CB . 17490 1 989 . 1 1 76 76 ALA N N 15 117.626 0.047 . 1 . . . A 366 ALA N . 17490 1 990 . 1 1 77 77 LYS H H 1 7.302 0.009 . 1 . . . A 367 LYS H . 17490 1 991 . 1 1 77 77 LYS HA H 1 3.998 0.006 . 1 . . . A 367 LYS HA . 17490 1 992 . 1 1 77 77 LYS HB2 H 1 1.71 0.008 . 2 . . . A 367 LYS HB2 . 17490 1 993 . 1 1 77 77 LYS HB3 H 1 1.637 0.007 . 2 . . . A 367 LYS HB3 . 17490 1 994 . 1 1 77 77 LYS HG2 H 1 1.37 0.007 . 2 . . . A 367 LYS HG2 . 17490 1 995 . 1 1 77 77 LYS HG3 H 1 1.185 0.002 . 2 . . . A 367 LYS HG3 . 17490 1 996 . 1 1 77 77 LYS HD2 H 1 1.519 0.001 . 2 . . . A 367 LYS HD2 . 17490 1 997 . 1 1 77 77 LYS HD3 H 1 1.441 0.011 . 2 . . . A 367 LYS HD3 . 17490 1 998 . 1 1 77 77 LYS HE2 H 1 2.703 0.007 . 2 . . . A 367 LYS HE2 . 17490 1 999 . 1 1 77 77 LYS HE3 H 1 2.703 0.007 . 2 . . . A 367 LYS HE3 . 17490 1 1000 . 1 1 77 77 LYS C C 13 178.964 0 . . . . . A 367 LYS C . 17490 1 1001 . 1 1 77 77 LYS CA C 13 58.803 0.084 . 1 . . . A 367 LYS CA . 17490 1 1002 . 1 1 77 77 LYS CB C 13 32.106 0.054 . 1 . . . A 367 LYS CB . 17490 1 1003 . 1 1 77 77 LYS CG C 13 24.723 0.047 . 1 . . . A 367 LYS CG . 17490 1 1004 . 1 1 77 77 LYS CD C 13 29.301 0.061 . 1 . . . A 367 LYS CD . 17490 1 1005 . 1 1 77 77 LYS CE C 13 41.642 0.083 . 1 . . . A 367 LYS CE . 17490 1 1006 . 1 1 77 77 LYS N N 15 118.273 0.052 . 1 . . . A 367 LYS N . 17490 1 1007 . 1 1 78 78 MET H H 1 7.785 0.009 . 1 . . . A 368 MET H . 17490 1 1008 . 1 1 78 78 MET HA H 1 4.273 0.006 . 1 . . . A 368 MET HA . 17490 1 1009 . 1 1 78 78 MET HB2 H 1 1.763 0.011 . 2 . . . A 368 MET HB2 . 17490 1 1010 . 1 1 78 78 MET HB3 H 1 1.395 0.015 . 2 . . . A 368 MET HB3 . 17490 1 1011 . 1 1 78 78 MET HG2 H 1 1.662 0 . 2 . . . A 368 MET HG2 . 17490 1 1012 . 1 1 78 78 MET HG3 H 1 1.662 0 . 2 . . . A 368 MET HG3 . 17490 1 1013 . 1 1 78 78 MET C C 13 178.167 0 . . . . . A 368 MET C . 17490 1 1014 . 1 1 78 78 MET CA C 13 55.734 0.054 . 1 . . . A 368 MET CA . 17490 1 1015 . 1 1 78 78 MET CB C 13 32.382 0.093 . 1 . . . A 368 MET CB . 17490 1 1016 . 1 1 78 78 MET N N 15 117.578 0.052 . 1 . . . A 368 MET N . 17490 1 1017 . 1 1 79 79 LEU H H 1 8.197 0.007 . 1 . . . A 369 LEU H . 17490 1 1018 . 1 1 79 79 LEU HA H 1 3.786 0.007 . 1 . . . A 369 LEU HA . 17490 1 1019 . 1 1 79 79 LEU HB2 H 1 1.847 0.001 . 2 . . . A 369 LEU HB2 . 17490 1 1020 . 1 1 79 79 LEU HB3 H 1 1.799 0.006 . 2 . . . A 369 LEU HB3 . 17490 1 1021 . 1 1 79 79 LEU HG H 1 1.675 0.029 . 1 . . . A 369 LEU HG . 17490 1 1022 . 1 1 79 79 LEU HD11 H 1 0.932 0.005 . . . . . A 369 LEU HD11 . 17490 1 1023 . 1 1 79 79 LEU HD12 H 1 0.932 0.005 . . . . . A 369 LEU HD12 . 17490 1 1024 . 1 1 79 79 LEU HD13 H 1 0.932 0.005 . . . . . A 369 LEU HD13 . 17490 1 1025 . 1 1 79 79 LEU HD21 H 1 0.932 0.005 . . . . . A 369 LEU HD21 . 17490 1 1026 . 1 1 79 79 LEU HD22 H 1 0.932 0.005 . . . . . A 369 LEU HD22 . 17490 1 1027 . 1 1 79 79 LEU HD23 H 1 0.932 0.005 . . . . . A 369 LEU HD23 . 17490 1 1028 . 1 1 79 79 LEU C C 13 179.06 0 . . . . . A 369 LEU C . 17490 1 1029 . 1 1 79 79 LEU CA C 13 59.377 0.09 . 1 . . . A 369 LEU CA . 17490 1 1030 . 1 1 79 79 LEU CB C 13 42.354 0.078 . 1 . . . A 369 LEU CB . 17490 1 1031 . 1 1 79 79 LEU CG C 13 26.899 0.227 . 1 . . . A 369 LEU CG . 17490 1 1032 . 1 1 79 79 LEU CD1 C 13 24.788 0.076 . . . . . A 369 LEU CD1 . 17490 1 1033 . 1 1 79 79 LEU CD2 C 13 24.788 0.076 . . . . . A 369 LEU CD2 . 17490 1 1034 . 1 1 79 79 LEU N N 15 120.984 0.049 . 1 . . . A 369 LEU N . 17490 1 1035 . 1 1 80 80 MET H H 1 7.018 0.01 . 1 . . . A 370 MET H . 17490 1 1036 . 1 1 80 80 MET HA H 1 4.277 0.009 . 1 . . . A 370 MET HA . 17490 1 1037 . 1 1 80 80 MET HB2 H 1 2.181 0.009 . 2 . . . A 370 MET HB2 . 17490 1 1038 . 1 1 80 80 MET HB3 H 1 2.181 0.009 . 2 . . . A 370 MET HB3 . 17490 1 1039 . 1 1 80 80 MET HG2 H 1 2.707 0.007 . 2 . . . A 370 MET HG2 . 17490 1 1040 . 1 1 80 80 MET HG3 H 1 2.585 0.005 . 2 . . . A 370 MET HG3 . 17490 1 1041 . 1 1 80 80 MET C C 13 178.184 0 . . . . . A 370 MET C . 17490 1 1042 . 1 1 80 80 MET CA C 13 57.627 0.072 . 1 . . . A 370 MET CA . 17490 1 1043 . 1 1 80 80 MET CB C 13 32.543 0.071 . 1 . . . A 370 MET CB . 17490 1 1044 . 1 1 80 80 MET CG C 13 31.895 0.083 . 1 . . . A 370 MET CG . 17490 1 1045 . 1 1 80 80 MET N N 15 114.071 0.044 . 1 . . . A 370 MET N . 17490 1 1046 . 1 1 81 81 ILE H H 1 7.615 0.01 . 1 . . . A 371 ILE H . 17490 1 1047 . 1 1 81 81 ILE HA H 1 3.885 0.006 . 1 . . . A 371 ILE HA . 17490 1 1048 . 1 1 81 81 ILE HB H 1 1.781 0.032 . 1 . . . A 371 ILE HB . 17490 1 1049 . 1 1 81 81 ILE HG12 H 1 1.519 0.008 . 2 . . . A 371 ILE HG12 . 17490 1 1050 . 1 1 81 81 ILE HG13 H 1 1.218 0.005 . 2 . . . A 371 ILE HG13 . 17490 1 1051 . 1 1 81 81 ILE HG21 H 1 0.845 0.008 . 1 . . . A 371 ILE HG21 . 17490 1 1052 . 1 1 81 81 ILE HG22 H 1 0.845 0.008 . 1 . . . A 371 ILE HG22 . 17490 1 1053 . 1 1 81 81 ILE HG23 H 1 0.845 0.008 . 1 . . . A 371 ILE HG23 . 17490 1 1054 . 1 1 81 81 ILE HD11 H 1 0.751 0.01 . . . . . A 371 ILE HD11 . 17490 1 1055 . 1 1 81 81 ILE HD12 H 1 0.751 0.01 . . . . . A 371 ILE HD12 . 17490 1 1056 . 1 1 81 81 ILE HD13 H 1 0.751 0.01 . . . . . A 371 ILE HD13 . 17490 1 1057 . 1 1 81 81 ILE C C 13 177.491 0 . . . . . A 371 ILE C . 17490 1 1058 . 1 1 81 81 ILE CA C 13 63.571 0.117 . 1 . . . A 371 ILE CA . 17490 1 1059 . 1 1 81 81 ILE CB C 13 38.716 0.099 . 1 . . . A 371 ILE CB . 17490 1 1060 . 1 1 81 81 ILE CG1 C 13 28.666 0.027 . 1 . . . A 371 ILE CG1 . 17490 1 1061 . 1 1 81 81 ILE CG2 C 13 17.61 0.081 . 1 . . . A 371 ILE CG2 . 17490 1 1062 . 1 1 81 81 ILE CD1 C 13 13.004 0.032 . . . . . A 371 ILE CD1 . 17490 1 1063 . 1 1 81 81 ILE N N 15 118.056 0.036 . 1 . . . A 371 ILE N . 17490 1 1064 . 1 1 82 82 LEU H H 1 8.16 0.007 . 1 . . . A 372 LEU H . 17490 1 1065 . 1 1 82 82 LEU HA H 1 4.1 0.007 . 1 . . . A 372 LEU HA . 17490 1 1066 . 1 1 82 82 LEU HB2 H 1 1.76 0.008 . 2 . . . A 372 LEU HB2 . 17490 1 1067 . 1 1 82 82 LEU HB3 H 1 1.287 0.009 . 2 . . . A 372 LEU HB3 . 17490 1 1068 . 1 1 82 82 LEU HG H 1 1.699 0.004 . 1 . . . A 372 LEU HG . 17490 1 1069 . 1 1 82 82 LEU HD11 H 1 0.843 0.007 . 2 . . . A 372 LEU HD11 . 17490 1 1070 . 1 1 82 82 LEU HD12 H 1 0.843 0.007 . 2 . . . A 372 LEU HD12 . 17490 1 1071 . 1 1 82 82 LEU HD13 H 1 0.843 0.007 . 2 . . . A 372 LEU HD13 . 17490 1 1072 . 1 1 82 82 LEU HD21 H 1 1.265 0 . 2 . . . A 372 LEU HD21 . 17490 1 1073 . 1 1 82 82 LEU HD22 H 1 1.265 0 . 2 . . . A 372 LEU HD22 . 17490 1 1074 . 1 1 82 82 LEU HD23 H 1 1.265 0 . 2 . . . A 372 LEU HD23 . 17490 1 1075 . 1 1 82 82 LEU C C 13 178.36 0 . . . . . A 372 LEU C . 17490 1 1076 . 1 1 82 82 LEU CA C 13 55.929 0.059 . 1 . . . A 372 LEU CA . 17490 1 1077 . 1 1 82 82 LEU CB C 13 42.309 0.082 . 1 . . . A 372 LEU CB . 17490 1 1078 . 1 1 82 82 LEU CG C 13 27.713 0.097 . 1 . . . A 372 LEU CG . 17490 1 1079 . 1 1 82 82 LEU CD1 C 13 26.356 0.068 . 2 . . . A 372 LEU CD1 . 17490 1 1080 . 1 1 82 82 LEU CD2 C 13 23.7 0.014 . 2 . . . A 372 LEU CD2 . 17490 1 1081 . 1 1 82 82 LEU N N 15 116.858 0.164 . 1 . . . A 372 LEU N . 17490 1 1082 . 1 1 83 83 ASN H H 1 7.058 0.007 . 1 . . . A 373 ASN H . 17490 1 1083 . 1 1 83 83 ASN HA H 1 4.348 0.009 . 1 . . . A 373 ASN HA . 17490 1 1084 . 1 1 83 83 ASN HB2 H 1 3.071 0.005 . 2 . . . A 373 ASN HB2 . 17490 1 1085 . 1 1 83 83 ASN HB3 H 1 2.906 0.009 . 2 . . . A 373 ASN HB3 . 17490 1 1086 . 1 1 83 83 ASN HD21 H 1 7.674 0 . 2 . . . A 373 ASN HD21 . 17490 1 1087 . 1 1 83 83 ASN HD22 H 1 6.874 0 . 2 . . . A 373 ASN HD22 . 17490 1 1088 . 1 1 83 83 ASN C C 13 175.671 0 . . . . . A 373 ASN C . 17490 1 1089 . 1 1 83 83 ASN CA C 13 55.793 0.062 . 1 . . . A 373 ASN CA . 17490 1 1090 . 1 1 83 83 ASN CB C 13 38.434 0.108 . 1 . . . A 373 ASN CB . 17490 1 1091 . 1 1 83 83 ASN N N 15 117.015 0.046 . 1 . . . A 373 ASN N . 17490 1 1092 . 1 1 83 83 ASN ND2 N 15 113.366 0.003 . 1 . . . A 373 ASN ND2 . 17490 1 1093 . 1 1 84 84 GLY H H 1 9.053 0.007 . 1 . . . A 374 GLY H . 17490 1 1094 . 1 1 84 84 GLY HA2 H 1 4.224 0.003 . 2 . . . A 374 GLY HA2 . 17490 1 1095 . 1 1 84 84 GLY HA3 H 1 3.624 0.008 . 2 . . . A 374 GLY HA3 . 17490 1 1096 . 1 1 84 84 GLY C C 13 174.602 0 . . . . . A 374 GLY C . 17490 1 1097 . 1 1 84 84 GLY CA C 13 45.842 0.065 . 1 . . . A 374 GLY CA . 17490 1 1098 . 1 1 84 84 GLY N N 15 116.878 0.044 . 1 . . . A 374 GLY N . 17490 1 1099 . 1 1 85 85 SER H H 1 7.666 0.01 . 1 . . . A 375 SER H . 17490 1 1100 . 1 1 85 85 SER HA H 1 4.407 0.004 . 1 . . . A 375 SER HA . 17490 1 1101 . 1 1 85 85 SER HB2 H 1 4.044 0 . 2 . . . A 375 SER HB2 . 17490 1 1102 . 1 1 85 85 SER HB3 H 1 3.981 0 . 2 . . . A 375 SER HB3 . 17490 1 1103 . 1 1 85 85 SER C C 13 171.58 0 . . . . . A 375 SER C . 17490 1 1104 . 1 1 85 85 SER CA C 13 59.28 0.064 . 1 . . . A 375 SER CA . 17490 1 1105 . 1 1 85 85 SER CB C 13 64.303 0.077 . 1 . . . A 375 SER CB . 17490 1 1106 . 1 1 85 85 SER N N 15 116.615 0.05 . 1 . . . A 375 SER N . 17490 1 1107 . 1 1 86 86 GLN H H 1 8.381 0.008 . 1 . . . A 376 GLN H . 17490 1 1108 . 1 1 86 86 GLN HA H 1 4.893 0.008 . 1 . . . A 376 GLN HA . 17490 1 1109 . 1 1 86 86 GLN HB2 H 1 1.893 0 . 2 . . . A 376 GLN HB2 . 17490 1 1110 . 1 1 86 86 GLN HB3 H 1 1.833 0.002 . 2 . . . A 376 GLN HB3 . 17490 1 1111 . 1 1 86 86 GLN HG2 H 1 2.214 0.003 . 2 . . . A 376 GLN HG2 . 17490 1 1112 . 1 1 86 86 GLN HG3 H 1 2.015 0.003 . 2 . . . A 376 GLN HG3 . 17490 1 1113 . 1 1 86 86 GLN HE21 H 1 7.077 0 . 2 . . . A 376 GLN HE21 . 17490 1 1114 . 1 1 86 86 GLN HE22 H 1 6.719 0 . 2 . . . A 376 GLN HE22 . 17490 1 1115 . 1 1 86 86 GLN C C 13 175.033 0 . . . . . A 376 GLN C . 17490 1 1116 . 1 1 86 86 GLN CA C 13 54.885 0.064 . 1 . . . A 376 GLN CA . 17490 1 1117 . 1 1 86 86 GLN CB C 13 30.733 0.118 . 1 . . . A 376 GLN CB . 17490 1 1118 . 1 1 86 86 GLN CG C 13 34.284 0.014 . 1 . . . A 376 GLN CG . 17490 1 1119 . 1 1 86 86 GLN N N 15 117.824 0.047 . 1 . . . A 376 GLN N . 17490 1 1120 . 1 1 86 86 GLN NE2 N 15 112.665 0.001 . 1 . . . A 376 GLN NE2 . 17490 1 1121 . 1 1 87 87 PHE H H 1 8.974 0.007 . 1 . . . A 377 PHE H . 17490 1 1122 . 1 1 87 87 PHE HA H 1 4.472 0.01 . 1 . . . A 377 PHE HA . 17490 1 1123 . 1 1 87 87 PHE HB2 H 1 2.433 0.006 . 2 . . . A 377 PHE HB2 . 17490 1 1124 . 1 1 87 87 PHE HB3 H 1 2.132 0.006 . 2 . . . A 377 PHE HB3 . 17490 1 1125 . 1 1 87 87 PHE HD1 H 1 6.496 0.004 . 3 . . . A 377 PHE HD1 . 17490 1 1126 . 1 1 87 87 PHE HD2 H 1 6.496 0.004 . 3 . . . A 377 PHE HD2 . 17490 1 1127 . 1 1 87 87 PHE HE1 H 1 7.174 0.006 . 3 . . . A 377 PHE HE1 . 17490 1 1128 . 1 1 87 87 PHE HE2 H 1 7.174 0.006 . 3 . . . A 377 PHE HE2 . 17490 1 1129 . 1 1 87 87 PHE C C 13 174.76 0 . . . . . A 377 PHE C . 17490 1 1130 . 1 1 87 87 PHE CA C 13 56.009 0.071 . 1 . . . A 377 PHE CA . 17490 1 1131 . 1 1 87 87 PHE CB C 13 41.519 0.065 . 1 . . . A 377 PHE CB . 17490 1 1132 . 1 1 87 87 PHE CD1 C 13 128.529 0 . . . . . A 377 PHE CD1 . 17490 1 1133 . 1 1 87 87 PHE CD2 C 13 128.529 0 . . . . . A 377 PHE CD2 . 17490 1 1134 . 1 1 87 87 PHE CE1 C 13 131.959 0 . . . . . A 377 PHE CE1 . 17490 1 1135 . 1 1 87 87 PHE CE2 C 13 131.959 0 . . . . . A 377 PHE CE2 . 17490 1 1136 . 1 1 87 87 PHE N N 15 124.095 0.039 . 1 . . . A 377 PHE N . 17490 1 1137 . 1 1 88 88 GLN H H 1 9.139 0.006 . 1 . . . A 378 GLN H . 17490 1 1138 . 1 1 88 88 GLN HA H 1 3.505 0.007 . 1 . . . A 378 GLN HA . 17490 1 1139 . 1 1 88 88 GLN HB2 H 1 1.804 0.003 . 2 . . . A 378 GLN HB2 . 17490 1 1140 . 1 1 88 88 GLN HB3 H 1 1.562 0.009 . 2 . . . A 378 GLN HB3 . 17490 1 1141 . 1 1 88 88 GLN HG2 H 1 1.288 0.002 . 2 . . . A 378 GLN HG2 . 17490 1 1142 . 1 1 88 88 GLN HG3 H 1 0.815 0.007 . 2 . . . A 378 GLN HG3 . 17490 1 1143 . 1 1 88 88 GLN HE21 H 1 7.162 0 . 2 . . . A 378 GLN HE21 . 17490 1 1144 . 1 1 88 88 GLN HE22 H 1 6.458 0 . 2 . . . A 378 GLN HE22 . 17490 1 1145 . 1 1 88 88 GLN C C 13 176.162 0 . . . . . A 378 GLN C . 17490 1 1146 . 1 1 88 88 GLN CA C 13 56.57 0.118 . 1 . . . A 378 GLN CA . 17490 1 1147 . 1 1 88 88 GLN CB C 13 26.07 0.069 . 1 . . . A 378 GLN CB . 17490 1 1148 . 1 1 88 88 GLN CG C 13 33.225 0.034 . 1 . . . A 378 GLN CG . 17490 1 1149 . 1 1 88 88 GLN N N 15 126.108 0.046 . 1 . . . A 378 GLN N . 17490 1 1150 . 1 1 88 88 GLN NE2 N 15 111.532 0.001 . 1 . . . A 378 GLN NE2 . 17490 1 1151 . 1 1 89 89 GLY H H 1 8.58 0.005 . 1 . . . A 379 GLY H . 17490 1 1152 . 1 1 89 89 GLY HA2 H 1 4.009 0.006 . 2 . . . A 379 GLY HA2 . 17490 1 1153 . 1 1 89 89 GLY HA3 H 1 3.549 0.004 . 2 . . . A 379 GLY HA3 . 17490 1 1154 . 1 1 89 89 GLY C C 13 173.587 0 . . . . . A 379 GLY C . 17490 1 1155 . 1 1 89 89 GLY CA C 13 45.382 0.1 . 1 . . . A 379 GLY CA . 17490 1 1156 . 1 1 89 89 GLY N N 15 103.132 0.047 . 1 . . . A 379 GLY N . 17490 1 1157 . 1 1 90 90 LYS H H 1 7.457 0.011 . 1 . . . A 380 LYS H . 17490 1 1158 . 1 1 90 90 LYS HA H 1 4.697 0.004 . 1 . . . A 380 LYS HA . 17490 1 1159 . 1 1 90 90 LYS HB2 H 1 1.853 0.004 . 2 . . . A 380 LYS HB2 . 17490 1 1160 . 1 1 90 90 LYS HB3 H 1 1.69 0.016 . 2 . . . A 380 LYS HB3 . 17490 1 1161 . 1 1 90 90 LYS HG2 H 1 1.375 0 . 2 . . . A 380 LYS HG2 . 17490 1 1162 . 1 1 90 90 LYS HG3 H 1 1.375 0 . 2 . . . A 380 LYS HG3 . 17490 1 1163 . 1 1 90 90 LYS HD2 H 1 1.362 0.002 . 2 . . . A 380 LYS HD2 . 17490 1 1164 . 1 1 90 90 LYS HD3 H 1 1.362 0.002 . 2 . . . A 380 LYS HD3 . 17490 1 1165 . 1 1 90 90 LYS HE2 H 1 2.987 0 . 2 . . . A 380 LYS HE2 . 17490 1 1166 . 1 1 90 90 LYS HE3 H 1 2.987 0 . 2 . . . A 380 LYS HE3 . 17490 1 1167 . 1 1 90 90 LYS C C 13 174.5 0 . . . . . A 380 LYS C . 17490 1 1168 . 1 1 90 90 LYS CA C 13 54.019 0.074 . 1 . . . A 380 LYS CA . 17490 1 1169 . 1 1 90 90 LYS CB C 13 35.919 0.062 . 1 . . . A 380 LYS CB . 17490 1 1170 . 1 1 90 90 LYS CG C 13 24.698 0.001 . 1 . . . A 380 LYS CG . 17490 1 1171 . 1 1 90 90 LYS CD C 13 28.721 0.063 . 1 . . . A 380 LYS CD . 17490 1 1172 . 1 1 90 90 LYS CE C 13 42.323 0 . 1 . . . A 380 LYS CE . 17490 1 1173 . 1 1 90 90 LYS N N 15 119.783 0.053 . 1 . . . A 380 LYS N . 17490 1 1174 . 1 1 91 91 VAL H H 1 8.256 0.005 . 1 . . . A 381 VAL H . 17490 1 1175 . 1 1 91 91 VAL HA H 1 4.294 0.007 . 1 . . . A 381 VAL HA . 17490 1 1176 . 1 1 91 91 VAL HB H 1 1.875 0.009 . 1 . . . A 381 VAL HB . 17490 1 1177 . 1 1 91 91 VAL HG11 H 1 0.953 0.002 . 2 . . . A 381 VAL HG11 . 17490 1 1178 . 1 1 91 91 VAL HG12 H 1 0.953 0.002 . 2 . . . A 381 VAL HG12 . 17490 1 1179 . 1 1 91 91 VAL HG13 H 1 0.953 0.002 . 2 . . . A 381 VAL HG13 . 17490 1 1180 . 1 1 91 91 VAL HG21 H 1 0.827 0.007 . 2 . . . A 381 VAL HG21 . 17490 1 1181 . 1 1 91 91 VAL HG22 H 1 0.827 0.007 . 2 . . . A 381 VAL HG22 . 17490 1 1182 . 1 1 91 91 VAL HG23 H 1 0.827 0.007 . 2 . . . A 381 VAL HG23 . 17490 1 1183 . 1 1 91 91 VAL C C 13 176.729 0 . . . . . A 381 VAL C . 17490 1 1184 . 1 1 91 91 VAL CA C 13 63.176 0.09 . 1 . . . A 381 VAL CA . 17490 1 1185 . 1 1 91 91 VAL CB C 13 32.073 0.057 . 1 . . . A 381 VAL CB . 17490 1 1186 . 1 1 91 91 VAL CG1 C 13 21.534 0.166 . . . . . A 381 VAL CG1 . 17490 1 1187 . 1 1 91 91 VAL CG2 C 13 21.534 0.166 . . . . . A 381 VAL CG2 . 17490 1 1188 . 1 1 91 91 VAL N N 15 121.517 0.035 . 1 . . . A 381 VAL N . 17490 1 1189 . 1 1 92 92 ILE H H 1 8.788 0.008 . 1 . . . A 382 ILE H . 17490 1 1190 . 1 1 92 92 ILE HA H 1 4.533 0.006 . 1 . . . A 382 ILE HA . 17490 1 1191 . 1 1 92 92 ILE HB H 1 1.571 0.009 . 1 . . . A 382 ILE HB . 17490 1 1192 . 1 1 92 92 ILE HG12 H 1 1.35 0.008 . 2 . . . A 382 ILE HG12 . 17490 1 1193 . 1 1 92 92 ILE HG13 H 1 0.954 0.003 . 2 . . . A 382 ILE HG13 . 17490 1 1194 . 1 1 92 92 ILE HG21 H 1 0.809 0.007 . 1 . . . A 382 ILE HG21 . 17490 1 1195 . 1 1 92 92 ILE HG22 H 1 0.809 0.007 . 1 . . . A 382 ILE HG22 . 17490 1 1196 . 1 1 92 92 ILE HG23 H 1 0.809 0.007 . 1 . . . A 382 ILE HG23 . 17490 1 1197 . 1 1 92 92 ILE HD11 H 1 0.57 0.006 . . . . . A 382 ILE HD11 . 17490 1 1198 . 1 1 92 92 ILE HD12 H 1 0.57 0.006 . . . . . A 382 ILE HD12 . 17490 1 1199 . 1 1 92 92 ILE HD13 H 1 0.57 0.006 . . . . . A 382 ILE HD13 . 17490 1 1200 . 1 1 92 92 ILE C C 13 173.501 0 . . . . . A 382 ILE C . 17490 1 1201 . 1 1 92 92 ILE CA C 13 59.249 0.076 . 1 . . . A 382 ILE CA . 17490 1 1202 . 1 1 92 92 ILE CB C 13 41.995 0.048 . 1 . . . A 382 ILE CB . 17490 1 1203 . 1 1 92 92 ILE CG1 C 13 26.476 0.084 . 1 . . . A 382 ILE CG1 . 17490 1 1204 . 1 1 92 92 ILE CG2 C 13 18.855 0.013 . 1 . . . A 382 ILE CG2 . 17490 1 1205 . 1 1 92 92 ILE CD1 C 13 15.187 0.067 . . . . . A 382 ILE CD1 . 17490 1 1206 . 1 1 92 92 ILE N N 15 124.746 0.04 . 1 . . . A 382 ILE N . 17490 1 1207 . 1 1 93 93 ARG H H 1 8.5 0.009 . 1 . . . A 383 ARG H . 17490 1 1208 . 1 1 93 93 ARG HA H 1 4.608 0.008 . 1 . . . A 383 ARG HA . 17490 1 1209 . 1 1 93 93 ARG HB2 H 1 1.231 0.007 . 2 . . . A 383 ARG HB2 . 17490 1 1210 . 1 1 93 93 ARG HB3 H 1 0.643 0.01 . 2 . . . A 383 ARG HB3 . 17490 1 1211 . 1 1 93 93 ARG HG2 H 1 1.361 0.007 . 2 . . . A 383 ARG HG2 . 17490 1 1212 . 1 1 93 93 ARG HG3 H 1 1.361 0.007 . 2 . . . A 383 ARG HG3 . 17490 1 1213 . 1 1 93 93 ARG HD2 H 1 2.948 0 . 2 . . . A 383 ARG HD2 . 17490 1 1214 . 1 1 93 93 ARG HD3 H 1 2.869 0.002 . 2 . . . A 383 ARG HD3 . 17490 1 1215 . 1 1 93 93 ARG C C 13 173.979 0 . . . . . A 383 ARG C . 17490 1 1216 . 1 1 93 93 ARG CA C 13 53.178 0.088 . 1 . . . A 383 ARG CA . 17490 1 1217 . 1 1 93 93 ARG CB C 13 31.724 0.082 . 1 . . . A 383 ARG CB . 17490 1 1218 . 1 1 93 93 ARG CG C 13 26.784 0.066 . 1 . . . A 383 ARG CG . 17490 1 1219 . 1 1 93 93 ARG CD C 13 42.921 0.041 . 1 . . . A 383 ARG CD . 17490 1 1220 . 1 1 93 93 ARG N N 15 119.723 0.044 . 1 . . . A 383 ARG N . 17490 1 1221 . 1 1 94 94 SER H H 1 7.7 0.007 . 1 . . . A 384 SER H . 17490 1 1222 . 1 1 94 94 SER HA H 1 5.685 0.009 . 1 . . . A 384 SER HA . 17490 1 1223 . 1 1 94 94 SER HB2 H 1 3.755 0.004 . 2 . . . A 384 SER HB2 . 17490 1 1224 . 1 1 94 94 SER HB3 H 1 3.435 0.004 . 2 . . . A 384 SER HB3 . 17490 1 1225 . 1 1 94 94 SER C C 13 174.791 0 . . . . . A 384 SER C . 17490 1 1226 . 1 1 94 94 SER CA C 13 54.419 0.085 . 1 . . . A 384 SER CA . 17490 1 1227 . 1 1 94 94 SER CB C 13 67.147 0.089 . 1 . . . A 384 SER CB . 17490 1 1228 . 1 1 94 94 SER N N 15 110.386 0.048 . 1 . . . A 384 SER N . 17490 1 1229 . 1 1 95 95 GLY H H 1 8.36 0.01 . 1 . . . A 385 GLY H . 17490 1 1230 . 1 1 95 95 GLY HA2 H 1 4.528 0.003 . 2 . . . A 385 GLY HA2 . 17490 1 1231 . 1 1 95 95 GLY HA3 H 1 4.365 0.01 . 2 . . . A 385 GLY HA3 . 17490 1 1232 . 1 1 95 95 GLY C C 13 171.619 0 . . . . . A 385 GLY C . 17490 1 1233 . 1 1 95 95 GLY CA C 13 45.904 0.089 . 1 . . . A 385 GLY CA . 17490 1 1234 . 1 1 95 95 GLY N N 15 106.738 0.054 . 1 . . . A 385 GLY N . 17490 1 1235 . 1 1 96 96 THR H H 1 9.274 0.011 . 1 . . . A 386 THR H . 17490 1 1236 . 1 1 96 96 THR HA H 1 4.604 0.005 . 1 . . . A 386 THR HA . 17490 1 1237 . 1 1 96 96 THR HB H 1 4.912 0.005 . 1 . . . A 386 THR HB . 17490 1 1238 . 1 1 96 96 THR HG21 H 1 1.395 0.014 . 1 . . . A 386 THR HG21 . 17490 1 1239 . 1 1 96 96 THR HG22 H 1 1.395 0.014 . 1 . . . A 386 THR HG22 . 17490 1 1240 . 1 1 96 96 THR HG23 H 1 1.395 0.014 . 1 . . . A 386 THR HG23 . 17490 1 1241 . 1 1 96 96 THR C C 13 175.6 0 . . . . . A 386 THR C . 17490 1 1242 . 1 1 96 96 THR CA C 13 60.901 0.058 . 1 . . . A 386 THR CA . 17490 1 1243 . 1 1 96 96 THR CB C 13 71.709 0.094 . 1 . . . A 386 THR CB . 17490 1 1244 . 1 1 96 96 THR CG2 C 13 21.593 0.051 . . . . . A 386 THR CG2 . 17490 1 1245 . 1 1 96 96 THR N N 15 111.493 0.071 . 1 . . . A 386 THR N . 17490 1 1246 . 1 1 97 97 ILE H H 1 9.339 0.005 . 1 . . . A 387 ILE H . 17490 1 1247 . 1 1 97 97 ILE HA H 1 3.881 0.007 . 1 . . . A 387 ILE HA . 17490 1 1248 . 1 1 97 97 ILE HB H 1 1.701 0.007 . 1 . . . A 387 ILE HB . 17490 1 1249 . 1 1 97 97 ILE HG12 H 1 1.66 0.003 . 2 . . . A 387 ILE HG12 . 17490 1 1250 . 1 1 97 97 ILE HG13 H 1 0.664 0.001 . 2 . . . A 387 ILE HG13 . 17490 1 1251 . 1 1 97 97 ILE HG21 H 1 0.695 0.001 . 1 . . . A 387 ILE HG21 . 17490 1 1252 . 1 1 97 97 ILE HG22 H 1 0.695 0.001 . 1 . . . A 387 ILE HG22 . 17490 1 1253 . 1 1 97 97 ILE HG23 H 1 0.695 0.001 . 1 . . . A 387 ILE HG23 . 17490 1 1254 . 1 1 97 97 ILE HD11 H 1 0.748 0.001 . . . . . A 387 ILE HD11 . 17490 1 1255 . 1 1 97 97 ILE HD12 H 1 0.748 0.001 . . . . . A 387 ILE HD12 . 17490 1 1256 . 1 1 97 97 ILE HD13 H 1 0.748 0.001 . . . . . A 387 ILE HD13 . 17490 1 1257 . 1 1 97 97 ILE C C 13 178.109 0 . . . . . A 387 ILE C . 17490 1 1258 . 1 1 97 97 ILE CA C 13 65.826 0.04 . 1 . . . A 387 ILE CA . 17490 1 1259 . 1 1 97 97 ILE CB C 13 37.717 0.056 . 1 . . . A 387 ILE CB . 17490 1 1260 . 1 1 97 97 ILE CG1 C 13 30.496 0.033 . 1 . . . A 387 ILE CG1 . 17490 1 1261 . 1 1 97 97 ILE CG2 C 13 18.159 0.145 . 1 . . . A 387 ILE CG2 . 17490 1 1262 . 1 1 97 97 ILE CD1 C 13 14.25 0.057 . . . . . A 387 ILE CD1 . 17490 1 1263 . 1 1 97 97 ILE N N 15 121.293 0.055 . 1 . . . A 387 ILE N . 17490 1 1264 . 1 1 98 98 ASN H H 1 8.162 0.006 . 1 . . . A 388 ASN H . 17490 1 1265 . 1 1 98 98 ASN HA H 1 4.224 0.005 . 1 . . . A 388 ASN HA . 17490 1 1266 . 1 1 98 98 ASN HB2 H 1 2.679 0 . 2 . . . A 388 ASN HB2 . 17490 1 1267 . 1 1 98 98 ASN HB3 H 1 2.637 0 . 2 . . . A 388 ASN HB3 . 17490 1 1268 . 1 1 98 98 ASN HD21 H 1 7.67 0 . 2 . . . A 388 ASN HD21 . 17490 1 1269 . 1 1 98 98 ASN HD22 H 1 6.984 0 . 2 . . . A 388 ASN HD22 . 17490 1 1270 . 1 1 98 98 ASN C C 13 178.04 0 . . . . . A 388 ASN C . 17490 1 1271 . 1 1 98 98 ASN CA C 13 56.205 0.098 . 1 . . . A 388 ASN CA . 17490 1 1272 . 1 1 98 98 ASN CB C 13 37.719 0.108 . 1 . . . A 388 ASN CB . 17490 1 1273 . 1 1 98 98 ASN N N 15 117.358 0.109 . 1 . . . A 388 ASN N . 17490 1 1274 . 1 1 98 98 ASN ND2 N 15 113.107 0 . 1 . . . A 388 ASN ND2 . 17490 1 1275 . 1 1 99 99 ASP H H 1 7.865 0.005 . 1 . . . A 389 ASP H . 17490 1 1276 . 1 1 99 99 ASP HA H 1 4.236 0.032 . 1 . . . A 389 ASP HA . 17490 1 1277 . 1 1 99 99 ASP HB2 H 1 3.081 0.009 . 2 . . . A 389 ASP HB2 . 17490 1 1278 . 1 1 99 99 ASP HB3 H 1 2.807 0.002 . 2 . . . A 389 ASP HB3 . 17490 1 1279 . 1 1 99 99 ASP C C 13 177.813 0 . . . . . A 389 ASP C . 17490 1 1280 . 1 1 99 99 ASP CA C 13 57.639 0.049 . 1 . . . A 389 ASP CA . 17490 1 1281 . 1 1 99 99 ASP CB C 13 40.497 0.053 . 1 . . . A 389 ASP CB . 17490 1 1282 . 1 1 99 99 ASP N N 15 121.336 0.056 . 1 . . . A 389 ASP N . 17490 1 1283 . 1 1 100 100 MET H H 1 7.874 0.007 . 1 . . . A 390 MET H . 17490 1 1284 . 1 1 100 100 MET HA H 1 4.499 0 . 1 . . . A 390 MET HA . 17490 1 1285 . 1 1 100 100 MET HB2 H 1 1.845 0.003 . 2 . . . A 390 MET HB2 . 17490 1 1286 . 1 1 100 100 MET HB3 H 1 1.845 0.003 . 2 . . . A 390 MET HB3 . 17490 1 1287 . 1 1 100 100 MET HG2 H 1 2.572 0 . 2 . . . A 390 MET HG2 . 17490 1 1288 . 1 1 100 100 MET HG3 H 1 2.572 0 . 2 . . . A 390 MET HG3 . 17490 1 1289 . 1 1 100 100 MET C C 13 178.081 0 . . . . . A 390 MET C . 17490 1 1290 . 1 1 100 100 MET CA C 13 58.402 0.066 . 1 . . . A 390 MET CA . 17490 1 1291 . 1 1 100 100 MET CB C 13 32.263 0.081 . 1 . . . A 390 MET CB . 17490 1 1292 . 1 1 100 100 MET CG C 13 30.634 0 . 1 . . . A 390 MET CG . 17490 1 1293 . 1 1 100 100 MET N N 15 122.932 0.046 . 1 . . . A 390 MET N . 17490 1 1294 . 1 1 101 101 LYS H H 1 7.994 0.012 . 1 . . . A 391 LYS H . 17490 1 1295 . 1 1 101 101 LYS HA H 1 3.484 0.01 . 1 . . . A 391 LYS HA . 17490 1 1296 . 1 1 101 101 LYS HB2 H 1 1.506 0.011 . 2 . . . A 391 LYS HB2 . 17490 1 1297 . 1 1 101 101 LYS HB3 H 1 1.315 0.013 . 2 . . . A 391 LYS HB3 . 17490 1 1298 . 1 1 101 101 LYS HG2 H 1 -0.293 0.001 . 2 . . . A 391 LYS HG2 . 17490 1 1299 . 1 1 101 101 LYS HG3 H 1 -0.293 0.001 . 2 . . . A 391 LYS HG3 . 17490 1 1300 . 1 1 101 101 LYS HD2 H 1 1.009 0.01 . 2 . . . A 391 LYS HD2 . 17490 1 1301 . 1 1 101 101 LYS HD3 H 1 1.009 0.01 . 2 . . . A 391 LYS HD3 . 17490 1 1302 . 1 1 101 101 LYS HE2 H 1 3.11 0.024 . 2 . . . A 391 LYS HE2 . 17490 1 1303 . 1 1 101 101 LYS HE3 H 1 3.11 0.024 . 2 . . . A 391 LYS HE3 . 17490 1 1304 . 1 1 101 101 LYS C C 13 178.102 0 . . . . . A 391 LYS C . 17490 1 1305 . 1 1 101 101 LYS CA C 13 60.07 0.109 . 1 . . . A 391 LYS CA . 17490 1 1306 . 1 1 101 101 LYS CB C 13 32.468 0.052 . 1 . . . A 391 LYS CB . 17490 1 1307 . 1 1 101 101 LYS CG C 13 23.975 0.157 . 1 . . . A 391 LYS CG . 17490 1 1308 . 1 1 101 101 LYS CD C 13 29.806 0.046 . 1 . . . A 391 LYS CD . 17490 1 1309 . 1 1 101 101 LYS CE C 13 41.775 0 . 1 . . . A 391 LYS CE . 17490 1 1310 . 1 1 101 101 LYS N N 15 118.764 0.146 . 1 . . . A 391 LYS N . 17490 1 1311 . 1 1 102 102 ARG H H 1 8.088 0.01 . 1 . . . A 392 ARG H . 17490 1 1312 . 1 1 102 102 ARG HA H 1 3.971 0.008 . 1 . . . A 392 ARG HA . 17490 1 1313 . 1 1 102 102 ARG HB2 H 1 1.86 0.017 . 2 . . . A 392 ARG HB2 . 17490 1 1314 . 1 1 102 102 ARG HB3 H 1 1.86 0.017 . 2 . . . A 392 ARG HB3 . 17490 1 1315 . 1 1 102 102 ARG HG2 H 1 1.731 0.002 . 2 . . . A 392 ARG HG2 . 17490 1 1316 . 1 1 102 102 ARG HG3 H 1 1.589 0.009 . 2 . . . A 392 ARG HG3 . 17490 1 1317 . 1 1 102 102 ARG HD2 H 1 3.205 0.013 . 2 . . . A 392 ARG HD2 . 17490 1 1318 . 1 1 102 102 ARG HD3 H 1 3.205 0.013 . 2 . . . A 392 ARG HD3 . 17490 1 1319 . 1 1 102 102 ARG C C 13 178.433 0 . . . . . A 392 ARG C . 17490 1 1320 . 1 1 102 102 ARG CA C 13 59.485 0.147 . 1 . . . A 392 ARG CA . 17490 1 1321 . 1 1 102 102 ARG CB C 13 30.282 0.042 . 1 . . . A 392 ARG CB . 17490 1 1322 . 1 1 102 102 ARG CG C 13 27.786 0.09 . 1 . . . A 392 ARG CG . 17490 1 1323 . 1 1 102 102 ARG CD C 13 43.4 0 . 1 . . . A 392 ARG CD . 17490 1 1324 . 1 1 102 102 ARG N N 15 118.974 0.048 . 1 . . . A 392 ARG N . 17490 1 1325 . 1 1 103 103 TYR H H 1 8.058 0.009 . 1 . . . A 393 TYR H . 17490 1 1326 . 1 1 103 103 TYR HA H 1 4.017 0.019 . 1 . . . A 393 TYR HA . 17490 1 1327 . 1 1 103 103 TYR HB2 H 1 3.104 0.007 . 2 . . . A 393 TYR HB2 . 17490 1 1328 . 1 1 103 103 TYR HB3 H 1 2.809 0.004 . 2 . . . A 393 TYR HB3 . 17490 1 1329 . 1 1 103 103 TYR HD1 H 1 6.659 0.003 . 3 . . . A 393 TYR HD1 . 17490 1 1330 . 1 1 103 103 TYR HD2 H 1 6.659 0.003 . 3 . . . A 393 TYR HD2 . 17490 1 1331 . 1 1 103 103 TYR HE1 H 1 7.28 0.01 . 3 . . . A 393 TYR HE1 . 17490 1 1332 . 1 1 103 103 TYR HE2 H 1 7.28 0.01 . 3 . . . A 393 TYR HE2 . 17490 1 1333 . 1 1 103 103 TYR C C 13 177.819 0 . . . . . A 393 TYR C . 17490 1 1334 . 1 1 103 103 TYR CA C 13 61.926 0.099 . 1 . . . A 393 TYR CA . 17490 1 1335 . 1 1 103 103 TYR CB C 13 39.373 0.105 . 1 . . . A 393 TYR CB . 17490 1 1336 . 1 1 103 103 TYR CD1 C 13 129.398 0 . . . . . A 393 TYR CD1 . 17490 1 1337 . 1 1 103 103 TYR CD2 C 13 129.398 0 . . . . . A 393 TYR CD2 . 17490 1 1338 . 1 1 103 103 TYR CE1 C 13 119.046 0 . . . . . A 393 TYR CE1 . 17490 1 1339 . 1 1 103 103 TYR CE2 C 13 119.046 0 . . . . . A 393 TYR CE2 . 17490 1 1340 . 1 1 103 103 TYR N N 15 119.904 0.068 . 1 . . . A 393 TYR N . 17490 1 1341 . 1 1 104 104 TYR H H 1 7.846 0.013 . 1 . . . A 394 TYR H . 17490 1 1342 . 1 1 104 104 TYR HA H 1 4.167 0.007 . 1 . . . A 394 TYR HA . 17490 1 1343 . 1 1 104 104 TYR HB2 H 1 3.516 0.01 . 2 . . . A 394 TYR HB2 . 17490 1 1344 . 1 1 104 104 TYR HB3 H 1 3.275 0.009 . 2 . . . A 394 TYR HB3 . 17490 1 1345 . 1 1 104 104 TYR HD1 H 1 7.176 0.008 . 3 . . . A 394 TYR HD1 . 17490 1 1346 . 1 1 104 104 TYR HD2 H 1 7.176 0.008 . 3 . . . A 394 TYR HD2 . 17490 1 1347 . 1 1 104 104 TYR HE1 H 1 6.725 0.032 . 3 . . . A 394 TYR HE1 . 17490 1 1348 . 1 1 104 104 TYR HE2 H 1 6.725 0.032 . 3 . . . A 394 TYR HE2 . 17490 1 1349 . 1 1 104 104 TYR C C 13 177.92 0 . . . . . A 394 TYR C . 17490 1 1350 . 1 1 104 104 TYR CA C 13 61.764 0.043 . 1 . . . A 394 TYR CA . 17490 1 1351 . 1 1 104 104 TYR CB C 13 39.162 0.072 . 1 . . . A 394 TYR CB . 17490 1 1352 . 1 1 104 104 TYR CD1 C 13 128.384 5.054 . . . . . A 394 TYR CD1 . 17490 1 1353 . 1 1 104 104 TYR CD2 C 13 128.384 5.054 . . . . . A 394 TYR CD2 . 17490 1 1354 . 1 1 104 104 TYR CE1 C 13 117.588 0 . . . . . A 394 TYR CE1 . 17490 1 1355 . 1 1 104 104 TYR CE2 C 13 117.588 0 . . . . . A 394 TYR CE2 . 17490 1 1356 . 1 1 104 104 TYR N N 15 119.418 0.051 . 1 . . . A 394 TYR N . 17490 1 1357 . 1 1 105 105 ASN H H 1 8.499 0.005 . 1 . . . A 395 ASN H . 17490 1 1358 . 1 1 105 105 ASN HA H 1 4.414 0.004 . 1 . . . A 395 ASN HA . 17490 1 1359 . 1 1 105 105 ASN HB2 H 1 2.819 0.007 . 2 . . . A 395 ASN HB2 . 17490 1 1360 . 1 1 105 105 ASN HB3 H 1 2.819 0.007 . 2 . . . A 395 ASN HB3 . 17490 1 1361 . 1 1 105 105 ASN HD21 H 1 7.516 0 . 2 . . . A 395 ASN HD21 . 17490 1 1362 . 1 1 105 105 ASN C C 13 176.906 0 . . . . . A 395 ASN C . 17490 1 1363 . 1 1 105 105 ASN CA C 13 55.691 0.067 . 1 . . . A 395 ASN CA . 17490 1 1364 . 1 1 105 105 ASN CB C 13 38.472 0.109 . 1 . . . A 395 ASN CB . 17490 1 1365 . 1 1 105 105 ASN N N 15 117.373 0.047 . 1 . . . A 395 ASN N . 17490 1 1366 . 1 1 105 105 ASN ND2 N 15 111.572 0 . 1 . . . A 395 ASN ND2 . 17490 1 1367 . 1 1 106 106 ASN H H 1 8.081 0.009 . 1 . . . A 396 ASN H . 17490 1 1368 . 1 1 106 106 ASN HA H 1 4.531 0.019 . 1 . . . A 396 ASN HA . 17490 1 1369 . 1 1 106 106 ASN HB2 H 1 2.726 0.014 . 2 . . . A 396 ASN HB2 . 17490 1 1370 . 1 1 106 106 ASN HB3 H 1 2.726 0.014 . 2 . . . A 396 ASN HB3 . 17490 1 1371 . 1 1 106 106 ASN HD21 H 1 7.515 0 . 2 . . . A 396 ASN HD21 . 17490 1 1372 . 1 1 106 106 ASN HD22 H 1 6.841 0 . 2 . . . A 396 ASN HD22 . 17490 1 1373 . 1 1 106 106 ASN C C 13 176.45 0 . . . . . A 396 ASN C . 17490 1 1374 . 1 1 106 106 ASN CA C 13 54.775 0.122 . 1 . . . A 396 ASN CA . 17490 1 1375 . 1 1 106 106 ASN CB C 13 38.543 0.099 . 1 . . . A 396 ASN CB . 17490 1 1376 . 1 1 106 106 ASN N N 15 118.101 0.049 . 1 . . . A 396 ASN N . 17490 1 1377 . 1 1 106 106 ASN ND2 N 15 112.082 0 . 1 . . . A 396 ASN ND2 . 17490 1 1378 . 1 1 107 107 GLN H H 1 7.772 0.01 . 1 . . . A 397 GLN H . 17490 1 1379 . 1 1 107 107 GLN HA H 1 3.977 0.007 . 1 . . . A 397 GLN HA . 17490 1 1380 . 1 1 107 107 GLN HB2 H 1 1.96 0.015 . 2 . . . A 397 GLN HB2 . 17490 1 1381 . 1 1 107 107 GLN HB3 H 1 1.819 0.011 . 2 . . . A 397 GLN HB3 . 17490 1 1382 . 1 1 107 107 GLN HG2 H 1 2.233 0 . 2 . . . A 397 GLN HG2 . 17490 1 1383 . 1 1 107 107 GLN HG3 H 1 2.148 0.01 . 2 . . . A 397 GLN HG3 . 17490 1 1384 . 1 1 107 107 GLN HE21 H 1 7.358 0 . 2 . . . A 397 GLN HE21 . 17490 1 1385 . 1 1 107 107 GLN HE22 H 1 6.65 0 . 2 . . . A 397 GLN HE22 . 17490 1 1386 . 1 1 107 107 GLN C C 13 176.907 0 . . . . . A 397 GLN C . 17490 1 1387 . 1 1 107 107 GLN CA C 13 56.815 0.061 . 1 . . . A 397 GLN CA . 17490 1 1388 . 1 1 107 107 GLN CB C 13 28.61 0.083 . 1 . . . A 397 GLN CB . 17490 1 1389 . 1 1 107 107 GLN CG C 13 33.561 0.028 . 1 . . . A 397 GLN CG . 17490 1 1390 . 1 1 107 107 GLN N N 15 118.903 0.043 . 1 . . . A 397 GLN N . 17490 1 1391 . 1 1 107 107 GLN NE2 N 15 110.781 0.001 . 1 . . . A 397 GLN NE2 . 17490 1 1392 . 1 1 108 108 GLN H H 1 7.854 0.008 . 1 . . . A 398 GLN H . 17490 1 1393 . 1 1 108 108 GLN HA H 1 3.92 0.012 . 1 . . . A 398 GLN HA . 17490 1 1394 . 1 1 108 108 GLN HB2 H 1 1.899 0 . 2 . . . A 398 GLN HB2 . 17490 1 1395 . 1 1 108 108 GLN HB3 H 1 1.899 0 . 2 . . . A 398 GLN HB3 . 17490 1 1396 . 1 1 108 108 GLN HG2 H 1 2.118 0.003 . 2 . . . A 398 GLN HG2 . 17490 1 1397 . 1 1 108 108 GLN HG3 H 1 2.073 0 . 2 . . . A 398 GLN HG3 . 17490 1 1398 . 1 1 108 108 GLN HE21 H 1 7.67 0 . 2 . . . A 398 GLN HE21 . 17490 1 1399 . 1 1 108 108 GLN HE22 H 1 7.003 0 . 2 . . . A 398 GLN HE22 . 17490 1 1400 . 1 1 108 108 GLN C C 13 176.321 0 . . . . . A 398 GLN C . 17490 1 1401 . 1 1 108 108 GLN CA C 13 56.554 0.045 . 1 . . . A 398 GLN CA . 17490 1 1402 . 1 1 108 108 GLN CB C 13 28.65 0.075 . 1 . . . A 398 GLN CB . 17490 1 1403 . 1 1 108 108 GLN CG C 13 33.416 0.027 . 1 . . . A 398 GLN CG . 17490 1 1404 . 1 1 108 108 GLN N N 15 118.101 0.042 . 1 . . . A 398 GLN N . 17490 1 1405 . 1 1 108 108 GLN NE2 N 15 112.106 0 . 1 . . . A 398 GLN NE2 . 17490 1 1406 . 1 1 109 109 ASN H H 1 7.932 0.009 . 1 . . . A 399 ASN H . 17490 1 1407 . 1 1 109 109 ASN HA H 1 4.488 0.005 . 1 . . . A 399 ASN HA . 17490 1 1408 . 1 1 109 109 ASN HB2 H 1 2.581 0.01 . 2 . . . A 399 ASN HB2 . 17490 1 1409 . 1 1 109 109 ASN HB3 H 1 2.581 0.01 . 2 . . . A 399 ASN HB3 . 17490 1 1410 . 1 1 109 109 ASN HD21 H 1 7.447 0 . 2 . . . A 399 ASN HD21 . 17490 1 1411 . 1 1 109 109 ASN HD22 H 1 6.803 0 . 2 . . . A 399 ASN HD22 . 17490 1 1412 . 1 1 109 109 ASN CA C 13 53.744 0.044 . 1 . . . A 399 ASN CA . 17490 1 1413 . 1 1 109 109 ASN CB C 13 38.586 0.214 . 1 . . . A 399 ASN CB . 17490 1 1414 . 1 1 109 109 ASN N N 15 117.229 0.051 . 1 . . . A 399 ASN N . 17490 1 1415 . 1 1 109 109 ASN ND2 N 15 112.825 0.001 . 1 . . . A 399 ASN ND2 . 17490 1 1416 . 1 1 110 110 HIS H H 1 7.961 0.008 . 1 . . . . 400 HIS HN . 17490 1 1417 . 1 1 110 110 HIS CA C 13 60.813 0 . 1 . . . . 400 HIS CA . 17490 1 1418 . 1 1 110 110 HIS N N 15 118.498 0.223 . 1 . . . . 400 HIS N . 17490 1 1419 . 1 1 111 111 TRP HE1 H 1 10.059 0.009 . . . . . . 401 TRP HE1 . 17490 1 1420 . 1 1 111 111 TRP NE1 N 15 129.233 0.071 . . . . . . 401 TRP NE1 . 17490 1 stop_ save_