data_19904 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19904 _Entry.Title ; Solution structure of the PPIase domain of TbPar42 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-10 _Entry.Accession_date 2014-04-10 _Entry.Last_release_date 2015-04-13 _Entry.Original_release_date 2015-04-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Edisa Rehic . . . 19904 2 Peter Bayer . . . 19904 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' . 19904 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 19904 'PPIase domain' . 19904 TbPar42 . 19904 TbPar45 . 19904 Trypanosoma . 19904 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19904 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 19904 '15N chemical shifts' 122 19904 '1H chemical shifts' 818 19904 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-04-13 . original BMRB . 19904 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mnt 'BMRB Entry Tracking System' 19904 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19904 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of TbPar42 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Edisa Rehic . . . 19904 1 2 Dana Hoenig . . . 19904 1 3 Alma Rueppel . . . 19904 1 4 Anja Matena . . . 19904 1 5 Peter Bayer . . . 19904 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19904 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20466001 _Citation.Full_citation . _Citation.Title ; Functional characterization of two novel parvulins in Trypanosoma brucei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 584 _Citation.Journal_issue . _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 2901 _Citation.Page_last 2908 _Citation.Year 2010 _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 Jian Goh . Y. . 19904 2 2 Cheng-Yu Lai . . . 19904 2 3 Luuan Tan . C. . 19904 2 4 Daiwen Yang . . . 19904 2 5 Cynthia He . Y. . 19904 2 6 Yih-Cherng Liou . . . 19904 2 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 19904 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20580912 _Citation.Full_citation . _Citation.Title ; Identification of an atypical peptidyl-prolyl cis/trans isomerase from trypanosomatids ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1803 _Citation.Journal_issue . _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 1028 _Citation.Page_last 1037 _Citation.Year 2010 _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 Esteban Erben . D. . 19904 3 2 Ezequiel Valguarnera . . . 19904 3 3 Sheila Nardelli . . . 19904 3 4 Janete Chung . . . 19904 3 5 Sebastian Daum . . . 19904 3 6 Mariana Potenza . . . 19904 3 7 Sergio Schenkman . . . 19904 3 8 Maria Tellez-Inon . T. . 19904 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19904 _Assembly.ID 1 _Assembly.Name 'PPIase domain of TbPar42' _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 'PPIase domain of TbPar42' 1 $entity A . yes native no no . . . 19904 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19904 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; PTERHFYHVLVKHKDVRRPS SLAPRNKGEKITRSRADAIN LAQAILAQHKERKTWSLDEF VQVVRDFSECGSAKRDGDLG MVESGTYTEGFDTVAFSLKS GEVSAPVETELGVHLIYRVE ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13522.351 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MNT . "Solution Structure Of The Ppiase Domain Of Tbpar42" . . . . . 100.00 120 100.00 100.00 5.86e-82 . . . . 19904 1 2 no EMBL CBH12319 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 383 100.00 100.00 6.22e-79 . . . . 19904 1 3 no GB AAX69643 . "hypothetical protein, conserved [Trypanosoma brucei]" . . . . . 100.00 383 100.00 100.00 6.02e-79 . . . . 19904 1 4 no GB AAZ12312 . "hypothetical protein, conserved [Trypanosoma brucei brucei TREU927]" . . . . . 100.00 383 100.00 100.00 6.02e-79 . . . . 19904 1 5 no REF XP_011774600 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 100.00 383 100.00 100.00 6.22e-79 . . . . 19904 1 6 no REF XP_845871 . "hypothetical protein [Trypanosoma brucei brucei TREU927]" . . . . . 100.00 383 100.00 100.00 6.02e-79 . . . . 19904 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 1 264 PRO . 19904 1 2 265 THR . 19904 1 3 266 GLU . 19904 1 4 267 ARG . 19904 1 5 268 HIS . 19904 1 6 269 PHE . 19904 1 7 270 TYR . 19904 1 8 271 HIS . 19904 1 9 272 VAL . 19904 1 10 273 LEU . 19904 1 11 274 VAL . 19904 1 12 275 LYS . 19904 1 13 276 HIS . 19904 1 14 277 LYS . 19904 1 15 278 ASP . 19904 1 16 279 VAL . 19904 1 17 280 ARG . 19904 1 18 281 ARG . 19904 1 19 282 PRO . 19904 1 20 283 SER . 19904 1 21 284 SER . 19904 1 22 285 LEU . 19904 1 23 286 ALA . 19904 1 24 287 PRO . 19904 1 25 288 ARG . 19904 1 26 289 ASN . 19904 1 27 290 LYS . 19904 1 28 291 GLY . 19904 1 29 292 GLU . 19904 1 30 293 LYS . 19904 1 31 294 ILE . 19904 1 32 295 THR . 19904 1 33 296 ARG . 19904 1 34 297 SER . 19904 1 35 298 ARG . 19904 1 36 299 ALA . 19904 1 37 300 ASP . 19904 1 38 301 ALA . 19904 1 39 302 ILE . 19904 1 40 303 ASN . 19904 1 41 304 LEU . 19904 1 42 305 ALA . 19904 1 43 306 GLN . 19904 1 44 307 ALA . 19904 1 45 308 ILE . 19904 1 46 309 LEU . 19904 1 47 310 ALA . 19904 1 48 311 GLN . 19904 1 49 312 HIS . 19904 1 50 313 LYS . 19904 1 51 314 GLU . 19904 1 52 315 ARG . 19904 1 53 316 LYS . 19904 1 54 317 THR . 19904 1 55 318 TRP . 19904 1 56 319 SER . 19904 1 57 320 LEU . 19904 1 58 321 ASP . 19904 1 59 322 GLU . 19904 1 60 323 PHE . 19904 1 61 324 VAL . 19904 1 62 325 GLN . 19904 1 63 326 VAL . 19904 1 64 327 VAL . 19904 1 65 328 ARG . 19904 1 66 329 ASP . 19904 1 67 330 PHE . 19904 1 68 331 SER . 19904 1 69 332 GLU . 19904 1 70 333 CYS . 19904 1 71 334 GLY . 19904 1 72 335 SER . 19904 1 73 336 ALA . 19904 1 74 337 LYS . 19904 1 75 338 ARG . 19904 1 76 339 ASP . 19904 1 77 340 GLY . 19904 1 78 341 ASP . 19904 1 79 342 LEU . 19904 1 80 343 GLY . 19904 1 81 344 MET . 19904 1 82 345 VAL . 19904 1 83 346 GLU . 19904 1 84 347 SER . 19904 1 85 348 GLY . 19904 1 86 349 THR . 19904 1 87 350 TYR . 19904 1 88 351 THR . 19904 1 89 352 GLU . 19904 1 90 353 GLY . 19904 1 91 354 PHE . 19904 1 92 355 ASP . 19904 1 93 356 THR . 19904 1 94 357 VAL . 19904 1 95 358 ALA . 19904 1 96 359 PHE . 19904 1 97 360 SER . 19904 1 98 361 LEU . 19904 1 99 362 LYS . 19904 1 100 363 SER . 19904 1 101 364 GLY . 19904 1 102 365 GLU . 19904 1 103 366 VAL . 19904 1 104 367 SER . 19904 1 105 368 ALA . 19904 1 106 369 PRO . 19904 1 107 370 VAL . 19904 1 108 371 GLU . 19904 1 109 372 THR . 19904 1 110 373 GLU . 19904 1 111 374 LEU . 19904 1 112 375 GLY . 19904 1 113 376 VAL . 19904 1 114 377 HIS . 19904 1 115 378 LEU . 19904 1 116 379 ILE . 19904 1 117 380 TYR . 19904 1 118 381 ARG . 19904 1 119 382 VAL . 19904 1 120 383 GLU . 19904 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 . PRO 1 1 19904 1 . THR 2 2 19904 1 . GLU 3 3 19904 1 . ARG 4 4 19904 1 . HIS 5 5 19904 1 . PHE 6 6 19904 1 . TYR 7 7 19904 1 . HIS 8 8 19904 1 . VAL 9 9 19904 1 . LEU 10 10 19904 1 . VAL 11 11 19904 1 . LYS 12 12 19904 1 . HIS 13 13 19904 1 . LYS 14 14 19904 1 . ASP 15 15 19904 1 . VAL 16 16 19904 1 . ARG 17 17 19904 1 . ARG 18 18 19904 1 . PRO 19 19 19904 1 . SER 20 20 19904 1 . SER 21 21 19904 1 . LEU 22 22 19904 1 . ALA 23 23 19904 1 . PRO 24 24 19904 1 . ARG 25 25 19904 1 . ASN 26 26 19904 1 . LYS 27 27 19904 1 . GLY 28 28 19904 1 . GLU 29 29 19904 1 . LYS 30 30 19904 1 . ILE 31 31 19904 1 . THR 32 32 19904 1 . ARG 33 33 19904 1 . SER 34 34 19904 1 . ARG 35 35 19904 1 . ALA 36 36 19904 1 . ASP 37 37 19904 1 . ALA 38 38 19904 1 . ILE 39 39 19904 1 . ASN 40 40 19904 1 . LEU 41 41 19904 1 . ALA 42 42 19904 1 . GLN 43 43 19904 1 . ALA 44 44 19904 1 . ILE 45 45 19904 1 . LEU 46 46 19904 1 . ALA 47 47 19904 1 . GLN 48 48 19904 1 . HIS 49 49 19904 1 . LYS 50 50 19904 1 . GLU 51 51 19904 1 . ARG 52 52 19904 1 . LYS 53 53 19904 1 . THR 54 54 19904 1 . TRP 55 55 19904 1 . SER 56 56 19904 1 . LEU 57 57 19904 1 . ASP 58 58 19904 1 . GLU 59 59 19904 1 . PHE 60 60 19904 1 . VAL 61 61 19904 1 . GLN 62 62 19904 1 . VAL 63 63 19904 1 . VAL 64 64 19904 1 . ARG 65 65 19904 1 . ASP 66 66 19904 1 . PHE 67 67 19904 1 . SER 68 68 19904 1 . GLU 69 69 19904 1 . CYS 70 70 19904 1 . GLY 71 71 19904 1 . SER 72 72 19904 1 . ALA 73 73 19904 1 . LYS 74 74 19904 1 . ARG 75 75 19904 1 . ASP 76 76 19904 1 . GLY 77 77 19904 1 . ASP 78 78 19904 1 . LEU 79 79 19904 1 . GLY 80 80 19904 1 . MET 81 81 19904 1 . VAL 82 82 19904 1 . GLU 83 83 19904 1 . SER 84 84 19904 1 . GLY 85 85 19904 1 . THR 86 86 19904 1 . TYR 87 87 19904 1 . THR 88 88 19904 1 . GLU 89 89 19904 1 . GLY 90 90 19904 1 . PHE 91 91 19904 1 . ASP 92 92 19904 1 . THR 93 93 19904 1 . VAL 94 94 19904 1 . ALA 95 95 19904 1 . PHE 96 96 19904 1 . SER 97 97 19904 1 . LEU 98 98 19904 1 . LYS 99 99 19904 1 . SER 100 100 19904 1 . GLY 101 101 19904 1 . GLU 102 102 19904 1 . VAL 103 103 19904 1 . SER 104 104 19904 1 . ALA 105 105 19904 1 . PRO 106 106 19904 1 . VAL 107 107 19904 1 . GLU 108 108 19904 1 . THR 109 109 19904 1 . GLU 110 110 19904 1 . LEU 111 111 19904 1 . GLY 112 112 19904 1 . VAL 113 113 19904 1 . HIS 114 114 19904 1 . LEU 115 115 19904 1 . ILE 116 116 19904 1 . TYR 117 117 19904 1 . ARG 118 118 19904 1 . VAL 119 119 19904 1 . GLU 120 120 19904 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 19904 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . 19904 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 19904 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET41b . . . 19904 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19904 _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 'PPIase domain of TbPar42' 'natural abundance' . . 1 $entity . . . 500 550 uM . . . . 19904 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19904 1 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19904 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19904 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19904 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19904 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.9% 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 'PPIase domain of TbPar42' 'natural abundance' . . 1 $entity . . . 500 550 uM . . . . 19904 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19904 2 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19904 2 4 D20 'natural abundance' . . . . . . 99.9 . . % . . . . 19904 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19904 _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 'PPIase domain of TbPar42' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 500 550 uM . . . . 19904 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19904 3 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19904 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19904 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19904 3 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19904 _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 'PPIase domain of TbPar42' '[U-100% 15N]' . . 1 $entity . . . 500 550 uM . . . . 19904 4 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19904 4 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19904 4 4 D20 'natural abundance' . . . . . . 100 . . % . . . . 19904 4 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19904 _Sample.ID 5 _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 'PPIase domain of TbPar42' '[U-100% 15N]' . . 1 $entity . . . 500 550 uM . . . . 19904 5 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19904 5 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19904 5 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19904 5 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 19904 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19904 _Sample.ID 6 _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 'PPIase domain of TbPar42' '[U-100% 13C]' . . 1 $entity . . . 500 550 uM . . . . 19904 6 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19904 6 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 19904 6 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19904 6 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19904 6 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 19904 _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 6.26 . pH 19904 1 temperature 273 . K 19904 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19904 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19904 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19904 1 processing 19904 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 19904 _Software.ID 2 _Software.Name CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19904 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19904 2 'chemical shift calculation' 19904 2 'data analysis' 19904 2 'peak picking' 19904 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19904 _Software.ID 3 _Software.Name TALOS _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' . . 19904 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19904 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19904 _Software.ID 4 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19904 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19904 4 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 19904 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance Ultrashield' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19904 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance Ultrashield' . 700 . . . 19904 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 19904 _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 . . . . . . . . . . 5 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 6 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 7 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 8 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 9 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 10 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 12 '3D HNHAHB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 14 '3D HCCH-COSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 15 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 16 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 17 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19904 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 19904 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19904 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19904 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19904 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_TbPar42_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode TbPar42_Shifts _Assigned_chem_shift_list.Entry_ID 19904 _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' 5 $sample_4 . 19904 1 2 '2D 1H-1H COSY' 1 $sample_1 . 19904 1 3 '2D 1H-1H TOCSY' 1 $sample_1 . 19904 1 4 '2D 1H-1H NOESY' 1 $sample_1 . 19904 1 5 '3D CBCA(CO)NH' 3 $sample_3 . 19904 1 6 '3D HNCACB' 3 $sample_3 . 19904 1 7 '3D HNCA' 3 $sample_3 . 19904 1 8 '3D HN(CO)CA' 3 $sample_3 . 19904 1 9 '3D HNCO' 3 $sample_3 . 19904 1 10 '3D HN(CA)CO' 3 $sample_3 . 19904 1 11 '3D HBHA(CO)NH' 3 $sample_3 . 19904 1 12 '3D HNHAHB' 3 $sample_3 . 19904 1 13 '3D HCCH-TOCSY' 6 $sample_6 . 19904 1 14 '3D HCCH-COSY' 6 $sample_6 . 19904 1 15 '2D 1H-1H COSY' 2 $sample_2 . 19904 1 16 '2D 1H-1H TOCSY' 2 $sample_2 . 19904 1 17 '2D 1H-1H NOESY' 2 $sample_2 . 19904 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.413 0.005 . 1 . . . A 264 PRO HA . 19904 1 2 . 1 1 1 1 PRO HB2 H 1 2.273 0.009 . 2 . . . A 264 PRO HB2 . 19904 1 3 . 1 1 1 1 PRO HB3 H 1 1.843 0.005 . 2 . . . A 264 PRO HB3 . 19904 1 4 . 1 1 1 1 PRO HG2 H 1 1.934 0.005 . 2 . . . A 264 PRO HG2 . 19904 1 5 . 1 1 1 1 PRO HG3 H 1 1.942 0.005 . 2 . . . A 264 PRO HG3 . 19904 1 6 . 1 1 1 1 PRO HD2 H 1 3.719 0.005 . 2 . . . A 264 PRO HD2 . 19904 1 7 . 1 1 1 1 PRO HD3 H 1 3.561 0.005 . 2 . . . A 264 PRO HD3 . 19904 1 8 . 1 1 1 1 PRO C C 13 176.603 0.020 . 1 . . . A 264 PRO C . 19904 1 9 . 1 1 1 1 PRO CA C 13 63.082 0.020 . 1 . . . A 264 PRO CA . 19904 1 10 . 1 1 1 1 PRO CB C 13 31.780 0.020 . 1 . . . A 264 PRO CB . 19904 1 11 . 1 1 2 2 THR H H 1 8.140 0.001 . 1 . . . A 265 THR H . 19904 1 12 . 1 1 2 2 THR HA H 1 4.233 0.005 . 1 . . . A 265 THR HA . 19904 1 13 . 1 1 2 2 THR HB H 1 4.051 0.005 . 1 . . . A 265 THR HB . 19904 1 14 . 1 1 2 2 THR HG21 H 1 1.136 0.005 . 1 . . . A 265 THR HG1 . 19904 1 15 . 1 1 2 2 THR HG22 H 1 1.136 0.005 . 1 . . . A 265 THR HG1 . 19904 1 16 . 1 1 2 2 THR HG23 H 1 1.136 0.005 . 1 . . . A 265 THR HG1 . 19904 1 17 . 1 1 2 2 THR C C 13 173.147 0.020 . 1 . . . A 265 THR C . 19904 1 18 . 1 1 2 2 THR CA C 13 61.775 0.020 . 1 . . . A 265 THR CA . 19904 1 19 . 1 1 2 2 THR CB C 13 69.429 0.020 . 1 . . . A 265 THR CB . 19904 1 20 . 1 1 2 2 THR N N 15 114.985 0.030 . 1 . . . A 265 THR N . 19904 1 21 . 1 1 3 3 GLU H H 1 8.108 0.001 . 1 . . . A 266 GLU H . 19904 1 22 . 1 1 3 3 GLU HA H 1 5.206 0.005 . 1 . . . A 266 GLU HA . 19904 1 23 . 1 1 3 3 GLU HB2 H 1 1.660 0.005 . 2 . . . A 266 GLU HB2 . 19904 1 24 . 1 1 3 3 GLU HB3 H 1 1.849 0.005 . 2 . . . A 266 GLU HB3 . 19904 1 25 . 1 1 3 3 GLU HG2 H 1 2.047 0.005 . 2 . . . A 266 GLU HG2 . 19904 1 26 . 1 1 3 3 GLU HG3 H 1 2.070 0.005 . 2 . . . A 266 GLU HG3 . 19904 1 27 . 1 1 3 3 GLU C C 13 175.478 0.020 . 1 . . . A 266 GLU C . 19904 1 28 . 1 1 3 3 GLU CA C 13 54.900 0.020 . 1 . . . A 266 GLU CA . 19904 1 29 . 1 1 3 3 GLU CB C 13 31.659 0.020 . 1 . . . A 266 GLU CB . 19904 1 30 . 1 1 3 3 GLU CG C 13 35.333 0.020 . 1 . . . A 266 GLU CG . 19904 1 31 . 1 1 3 3 GLU N N 15 121.736 0.030 . 1 . . . A 266 GLU N . 19904 1 32 . 1 1 4 4 ARG H H 1 8.309 0.001 . 1 . . . A 267 ARG H . 19904 1 33 . 1 1 4 4 ARG HA H 1 4.360 0.005 . 1 . . . A 267 ARG HA . 19904 1 34 . 1 1 4 4 ARG HB2 H 1 1.020 0.005 . 2 . . . A 267 ARG HB2 . 19904 1 35 . 1 1 4 4 ARG HB3 H 1 0.794 0.005 . 2 . . . A 267 ARG HB3 . 19904 1 36 . 1 1 4 4 ARG HG2 H 1 1.512 0.005 . 2 . . . A 267 ARG HG2 . 19904 1 37 . 1 1 4 4 ARG HG3 H 1 1.437 0.005 . 2 . . . A 267 ARG HG3 . 19904 1 38 . 1 1 4 4 ARG HD2 H 1 3.096 0.005 . 2 . . . A 267 ARG HD2 . 19904 1 39 . 1 1 4 4 ARG HD3 H 1 2.761 0.005 . 2 . . . A 267 ARG HD3 . 19904 1 40 . 1 1 4 4 ARG C C 13 172.553 0.020 . 1 . . . A 267 ARG C . 19904 1 41 . 1 1 4 4 ARG CA C 13 53.816 0.020 . 1 . . . A 267 ARG CA . 19904 1 42 . 1 1 4 4 ARG CB C 13 35.162 0.020 . 1 . . . A 267 ARG CB . 19904 1 43 . 1 1 4 4 ARG CG C 13 27.777 0.020 . 1 . . . A 267 ARG CG . 19904 1 44 . 1 1 4 4 ARG CD C 13 43.569 0.020 . 1 . . . A 267 ARG CD . 19904 1 45 . 1 1 4 4 ARG N N 15 120.713 0.030 . 1 . . . A 267 ARG N . 19904 1 46 . 1 1 5 5 HIS H H 1 8.591 0.002 . 1 . . . A 268 HIS H . 19904 1 47 . 1 1 5 5 HIS HA H 1 5.197 0.005 . 1 . . . A 268 HIS HA . 19904 1 48 . 1 1 5 5 HIS HB2 H 1 2.909 0.005 . 2 . . . A 268 HIS HB2 . 19904 1 49 . 1 1 5 5 HIS HB3 H 1 3.227 0.005 . 2 . . . A 268 HIS HB3 . 19904 1 50 . 1 1 5 5 HIS HD2 H 1 7.456 0.005 . 1 . . . A 268 HIS HD2 . 19904 1 51 . 1 1 5 5 HIS HE1 H 1 8.727 0.005 . 1 . . . A 268 HIS HE1 . 19904 1 52 . 1 1 5 5 HIS C C 13 173.367 0.020 . 1 . . . A 268 HIS C . 19904 1 53 . 1 1 5 5 HIS CA C 13 52.151 0.020 . 1 . . . A 268 HIS CA . 19904 1 54 . 1 1 5 5 HIS CB C 13 29.920 0.020 . 1 . . . A 268 HIS CB . 19904 1 55 . 1 1 5 5 HIS N N 15 121.423 0.030 . 1 . . . A 268 HIS N . 19904 1 56 . 1 1 6 6 PHE H H 1 7.523 0.001 . 1 . . . A 269 PHE H . 19904 1 57 . 1 1 6 6 PHE HA H 1 6.042 0.001 . 1 . . . A 269 PHE HA . 19904 1 58 . 1 1 6 6 PHE HB2 H 1 2.507 0.005 . 2 . . . A 269 PHE HB2 . 19904 1 59 . 1 1 6 6 PHE HB3 H 1 3.262 0.005 . 2 . . . A 269 PHE HB3 . 19904 1 60 . 1 1 6 6 PHE HD1 H 1 6.856 0.001 . 3 . . . A 269 PHE HD1 . 19904 1 61 . 1 1 6 6 PHE HD2 H 1 6.856 0.001 . 3 . . . A 269 PHE HD2 . 19904 1 62 . 1 1 6 6 PHE HE1 H 1 6.711 0.001 . 3 . . . A 269 PHE HE1 . 19904 1 63 . 1 1 6 6 PHE HE2 H 1 6.711 0.001 . 3 . . . A 269 PHE HE2 . 19904 1 64 . 1 1 6 6 PHE HZ H 1 5.594 0.001 . 1 . . . A 269 PHE HZ . 19904 1 65 . 1 1 6 6 PHE C C 13 174.049 0.020 . 1 . . . A 269 PHE C . 19904 1 66 . 1 1 6 6 PHE CA C 13 55.284 0.020 . 1 . . . A 269 PHE CA . 19904 1 67 . 1 1 6 6 PHE CB C 13 43.276 0.020 . 1 . . . A 269 PHE CB . 19904 1 68 . 1 1 6 6 PHE N N 15 122.961 0.030 . 1 . . . A 269 PHE N . 19904 1 69 . 1 1 7 7 TYR H H 1 9.313 0.002 . 1 . . . A 270 TYR H . 19904 1 70 . 1 1 7 7 TYR HA H 1 5.692 0.005 . 1 . . . A 270 TYR HA . 19904 1 71 . 1 1 7 7 TYR HB2 H 1 3.045 0.005 . 2 . . . A 270 TYR HB2 . 19904 1 72 . 1 1 7 7 TYR HB3 H 1 2.985 0.005 . 2 . . . A 270 TYR HB3 . 19904 1 73 . 1 1 7 7 TYR HD1 H 1 7.186 0.005 . 3 . . . A 270 TYR HD1 . 19904 1 74 . 1 1 7 7 TYR HD2 H 1 7.186 0.005 . 3 . . . A 270 TYR HD2 . 19904 1 75 . 1 1 7 7 TYR HE1 H 1 6.406 0.005 . 3 . . . A 270 TYR HE1 . 19904 1 76 . 1 1 7 7 TYR HE2 H 1 6.406 0.005 . 3 . . . A 270 TYR HE2 . 19904 1 77 . 1 1 7 7 TYR C C 13 176.235 0.020 . 1 . . . A 270 TYR C . 19904 1 78 . 1 1 7 7 TYR CA C 13 55.865 0.020 . 1 . . . A 270 TYR CA . 19904 1 79 . 1 1 7 7 TYR CB C 13 44.067 0.020 . 1 . . . A 270 TYR CB . 19904 1 80 . 1 1 7 7 TYR N N 15 119.822 0.030 . 1 . . . A 270 TYR N . 19904 1 81 . 1 1 8 8 HIS H H 1 9.369 0.001 . 1 . . . A 271 HIS H . 19904 1 82 . 1 1 8 8 HIS HA H 1 6.178 0.005 . 1 . . . A 271 HIS HA . 19904 1 83 . 1 1 8 8 HIS HB2 H 1 3.159 0.005 . 2 . . . A 271 HIS HB2 . 19904 1 84 . 1 1 8 8 HIS HB3 H 1 3.524 0.005 . 2 . . . A 271 HIS HB3 . 19904 1 85 . 1 1 8 8 HIS HD2 H 1 6.875 0.001 . 1 . . . A 271 HIS HD2 . 19904 1 86 . 1 1 8 8 HIS HE1 H 1 7.670 0.005 . 1 . . . A 271 HIS HE1 . 19904 1 87 . 1 1 8 8 HIS C C 13 173.409 0.020 . 1 . . . A 271 HIS C . 19904 1 88 . 1 1 8 8 HIS CA C 13 54.875 0.020 . 1 . . . A 271 HIS CA . 19904 1 89 . 1 1 8 8 HIS CB C 13 36.453 0.020 . 1 . . . A 271 HIS CB . 19904 1 90 . 1 1 8 8 HIS N N 15 114.648 0.030 . 1 . . . A 271 HIS N . 19904 1 91 . 1 1 9 9 VAL H H 1 8.936 0.003 . 1 . . . A 272 VAL H . 19904 1 92 . 1 1 9 9 VAL HA H 1 3.561 0.005 . 1 . . . A 272 VAL HA . 19904 1 93 . 1 1 9 9 VAL HB H 1 1.719 0.005 . 1 . . . A 272 VAL HB . 19904 1 94 . 1 1 9 9 VAL HG11 H 1 0.556 0.005 . 2 . . . A 272 VAL HG11 . 19904 1 95 . 1 1 9 9 VAL HG12 H 1 0.556 0.005 . 2 . . . A 272 VAL HG12 . 19904 1 96 . 1 1 9 9 VAL HG13 H 1 0.556 0.005 . 2 . . . A 272 VAL HG13 . 19904 1 97 . 1 1 9 9 VAL HG21 H 1 0.523 0.005 . 2 . . . A 272 VAL HG21 . 19904 1 98 . 1 1 9 9 VAL HG22 H 1 0.523 0.005 . 2 . . . A 272 VAL HG22 . 19904 1 99 . 1 1 9 9 VAL HG23 H 1 0.523 0.005 . 2 . . . A 272 VAL HG23 . 19904 1 100 . 1 1 9 9 VAL C C 13 172.528 0.020 . 1 . . . A 272 VAL C . 19904 1 101 . 1 1 9 9 VAL CA C 13 61.367 0.020 . 1 . . . A 272 VAL CA . 19904 1 102 . 1 1 9 9 VAL CB C 13 34.926 0.020 . 1 . . . A 272 VAL CB . 19904 1 103 . 1 1 9 9 VAL CG1 C 13 20.561 0.020 . 2 . . . A 272 VAL CG1 . 19904 1 104 . 1 1 9 9 VAL CG2 C 13 23.749 0.020 . 2 . . . A 272 VAL CG2 . 19904 1 105 . 1 1 9 9 VAL N N 15 120.650 0.030 . 1 . . . A 272 VAL N . 19904 1 106 . 1 1 10 10 LEU H H 1 7.452 0.001 . 1 . . . A 273 LEU H . 19904 1 107 . 1 1 10 10 LEU HA H 1 4.614 0.005 . 1 . . . A 273 LEU HA . 19904 1 108 . 1 1 10 10 LEU HB2 H 1 0.338 0.005 . 2 . . . A 273 LEU HB2 . 19904 1 109 . 1 1 10 10 LEU HB3 H 1 1.532 0.001 . 2 . . . A 273 LEU HB3 . 19904 1 110 . 1 1 10 10 LEU HG H 1 0.706 0.005 . 1 . . . A 273 LEU HG . 19904 1 111 . 1 1 10 10 LEU HD11 H 1 -0.293 0.005 . 2 . . . A 273 LEU HD11 . 19904 1 112 . 1 1 10 10 LEU HD12 H 1 -0.293 0.005 . 2 . . . A 273 LEU HD12 . 19904 1 113 . 1 1 10 10 LEU HD13 H 1 -0.293 0.005 . 2 . . . A 273 LEU HD13 . 19904 1 114 . 1 1 10 10 LEU HD21 H 1 0.875 0.005 . 2 . . . A 273 LEU HD21 . 19904 1 115 . 1 1 10 10 LEU HD22 H 1 0.875 0.005 . 2 . . . A 273 LEU HD22 . 19904 1 116 . 1 1 10 10 LEU HD23 H 1 0.875 0.005 . 2 . . . A 273 LEU HD23 . 19904 1 117 . 1 1 10 10 LEU C C 13 173.636 0.020 . 1 . . . A 273 LEU C . 19904 1 118 . 1 1 10 10 LEU CA C 13 52.217 0.020 . 1 . . . A 273 LEU CA . 19904 1 119 . 1 1 10 10 LEU CB C 13 46.523 0.020 . 1 . . . A 273 LEU CB . 19904 1 120 . 1 1 10 10 LEU CG C 13 26.391 0.020 . 1 . . . A 273 LEU CG . 19904 1 121 . 1 1 10 10 LEU CD1 C 13 19.645 0.020 . 2 . . . A 273 LEU CD1 . 19904 1 122 . 1 1 10 10 LEU CD2 C 13 27.058 0.020 . 2 . . . A 273 LEU CD2 . 19904 1 123 . 1 1 10 10 LEU N N 15 125.870 0.030 . 1 . . . A 273 LEU N . 19904 1 124 . 1 1 11 11 VAL H H 1 9.422 0.001 . 1 . . . A 274 VAL H . 19904 1 125 . 1 1 11 11 VAL HA H 1 4.086 0.005 . 1 . . . A 274 VAL HA . 19904 1 126 . 1 1 11 11 VAL HB H 1 1.939 0.005 . 1 . . . A 274 VAL HB . 19904 1 127 . 1 1 11 11 VAL HG11 H 1 1.038 0.005 . 2 . . . A 274 VAL HG11 . 19904 1 128 . 1 1 11 11 VAL HG12 H 1 1.038 0.005 . 2 . . . A 274 VAL HG12 . 19904 1 129 . 1 1 11 11 VAL HG13 H 1 1.038 0.005 . 2 . . . A 274 VAL HG13 . 19904 1 130 . 1 1 11 11 VAL HG21 H 1 0.598 0.005 . 2 . . . A 274 VAL HG21 . 19904 1 131 . 1 1 11 11 VAL HG22 H 1 0.598 0.005 . 2 . . . A 274 VAL HG22 . 19904 1 132 . 1 1 11 11 VAL HG23 H 1 0.598 0.005 . 2 . . . A 274 VAL HG23 . 19904 1 133 . 1 1 11 11 VAL C C 13 175.605 0.020 . 1 . . . A 274 VAL C . 19904 1 134 . 1 1 11 11 VAL CA C 13 61.124 0.020 . 1 . . . A 274 VAL CA . 19904 1 135 . 1 1 11 11 VAL CB C 13 32.522 0.020 . 1 . . . A 274 VAL CB . 19904 1 136 . 1 1 11 11 VAL CG1 C 13 22.384 0.020 . 2 . . . A 274 VAL CG1 . 19904 1 137 . 1 1 11 11 VAL CG2 C 13 19.151 0.020 . 2 . . . A 274 VAL CG2 . 19904 1 138 . 1 1 11 11 VAL N N 15 128.355 0.030 . 1 . . . A 274 VAL N . 19904 1 139 . 1 1 12 12 LYS H H 1 9.071 0.002 . 1 . . . A 275 LYS H . 19904 1 140 . 1 1 12 12 LYS HA H 1 4.215 0.005 . 1 . . . A 275 LYS HA . 19904 1 141 . 1 1 12 12 LYS HB2 H 1 1.979 0.005 . 2 . . . A 275 LYS HB2 . 19904 1 142 . 1 1 12 12 LYS HB3 H 1 1.446 0.005 . 2 . . . A 275 LYS HB3 . 19904 1 143 . 1 1 12 12 LYS HG2 H 1 1.414 0.005 . 2 . . . A 275 LYS HG2 . 19904 1 144 . 1 1 12 12 LYS HG3 H 1 1.396 0.005 . 2 . . . A 275 LYS HG3 . 19904 1 145 . 1 1 12 12 LYS HD2 H 1 1.500 0.005 . 2 . . . A 275 LYS HD2 . 19904 1 146 . 1 1 12 12 LYS HD3 H 1 1.522 0.005 . 2 . . . A 275 LYS HD3 . 19904 1 147 . 1 1 12 12 LYS C C 13 173.095 0.020 . 1 . . . A 275 LYS C . 19904 1 148 . 1 1 12 12 LYS CA C 13 56.259 0.020 . 1 . . . A 275 LYS CA . 19904 1 149 . 1 1 12 12 LYS CB C 13 34.702 0.020 . 1 . . . A 275 LYS CB . 19904 1 150 . 1 1 12 12 LYS CG C 13 25.151 0.020 . 1 . . . A 275 LYS CG . 19904 1 151 . 1 1 12 12 LYS CD C 13 32.853 0.020 . 1 . . . A 275 LYS CD . 19904 1 152 . 1 1 12 12 LYS N N 15 123.610 0.030 . 1 . . . A 275 LYS N . 19904 1 153 . 1 1 13 13 HIS H H 1 6.186 0.002 . 1 . . . A 276 HIS H . 19904 1 154 . 1 1 13 13 HIS HA H 1 4.396 0.005 . 1 . . . A 276 HIS HA . 19904 1 155 . 1 1 13 13 HIS HB2 H 1 2.716 0.005 . 2 . . . A 276 HIS HB2 . 19904 1 156 . 1 1 13 13 HIS HB3 H 1 3.136 0.005 . 2 . . . A 276 HIS HB3 . 19904 1 157 . 1 1 13 13 HIS HD2 H 1 6.354 0.001 . 1 . . . A 276 HIS HD2 . 19904 1 158 . 1 1 13 13 HIS HE1 H 1 7.424 0.005 . 1 . . . A 276 HIS HE1 . 19904 1 159 . 1 1 13 13 HIS C C 13 175.101 0.020 . 1 . . . A 276 HIS C . 19904 1 160 . 1 1 13 13 HIS CA C 13 54.368 0.020 . 1 . . . A 276 HIS CA . 19904 1 161 . 1 1 13 13 HIS CB C 13 33.731 0.020 . 1 . . . A 276 HIS CB . 19904 1 162 . 1 1 13 13 HIS N N 15 110.414 0.030 . 1 . . . A 276 HIS N . 19904 1 163 . 1 1 14 14 LYS H H 1 9.074 0.001 . 1 . . . A 277 LYS H . 19904 1 164 . 1 1 14 14 LYS HA H 1 4.074 0.005 . 1 . . . A 277 LYS HA . 19904 1 165 . 1 1 14 14 LYS HB2 H 1 1.980 0.005 . 2 . . . A 277 LYS HB2 . 19904 1 166 . 1 1 14 14 LYS HB3 H 1 1.842 0.005 . 2 . . . A 277 LYS HB3 . 19904 1 167 . 1 1 14 14 LYS HG2 H 1 1.362 0.005 . 2 . . . A 277 LYS HG2 . 19904 1 168 . 1 1 14 14 LYS HG3 H 1 1.420 0.005 . 2 . . . A 277 LYS HG3 . 19904 1 169 . 1 1 14 14 LYS HD2 H 1 1.636 0.005 . 2 . . . A 277 LYS HD2 . 19904 1 170 . 1 1 14 14 LYS HD3 H 1 1.621 0.005 . 2 . . . A 277 LYS HD3 . 19904 1 171 . 1 1 14 14 LYS HE2 H 1 2.963 0.005 . 1 . . . A 277 LYS HE2 . 19904 1 172 . 1 1 14 14 LYS HE3 H 1 2.964 0.005 . 1 . . . A 277 LYS HE3 . 19904 1 173 . 1 1 14 14 LYS C C 13 175.31 0.020 . 1 . . . A 277 LYS C . 19904 1 174 . 1 1 14 14 LYS CA C 13 58.131 0.020 . 1 . . . A 277 LYS CA . 19904 1 175 . 1 1 14 14 LYS CB C 13 32.074 0.020 . 1 . . . A 277 LYS CB . 19904 1 176 . 1 1 14 14 LYS CG C 13 24.326 0.020 . 1 . . . A 277 LYS CG . 19904 1 177 . 1 1 14 14 LYS CD C 13 28.730 0.020 . 1 . . . A 277 LYS CD . 19904 1 178 . 1 1 14 14 LYS CE C 13 41.583 0.020 . 1 . . . A 277 LYS CE . 19904 1 179 . 1 1 14 14 LYS N N 15 115.373 0.030 . 1 . . . A 277 LYS N . 19904 1 180 . 1 1 15 15 ASP H H 1 8.951 0.001 . 1 . . . A 278 ASP H . 19904 1 181 . 1 1 15 15 ASP HA H 1 5.117 0.005 . 1 . . . A 278 ASP HA . 19904 1 182 . 1 1 15 15 ASP HB2 H 1 2.671 0.005 . 2 . . . A 278 ASP HB2 . 19904 1 183 . 1 1 15 15 ASP HB3 H 1 3.116 0.005 . 2 . . . A 278 ASP HB3 . 19904 1 184 . 1 1 15 15 ASP C C 13 176.419 0.020 . 1 . . . A 278 ASP C . 19904 1 185 . 1 1 15 15 ASP CA C 13 54.644 0.020 . 1 . . . A 278 ASP CA . 19904 1 186 . 1 1 15 15 ASP CB C 13 41.772 0.020 . 1 . . . A 278 ASP CB . 19904 1 187 . 1 1 15 15 ASP N N 15 119.786 0.030 . 1 . . . A 278 ASP N . 19904 1 188 . 1 1 16 16 VAL H H 1 6.826 0.005 . 1 . . . A 279 VAL H . 19904 1 189 . 1 1 16 16 VAL HA H 1 4.353 0.005 . 1 . . . A 279 VAL HA . 19904 1 190 . 1 1 16 16 VAL HB H 1 2.214 0.005 . 1 . . . A 279 VAL HB . 19904 1 191 . 1 1 16 16 VAL HG11 H 1 0.711 0.005 . 2 . . . A 279 VAL HG11 . 19904 1 192 . 1 1 16 16 VAL HG12 H 1 0.711 0.005 . 2 . . . A 279 VAL HG12 . 19904 1 193 . 1 1 16 16 VAL HG13 H 1 0.711 0.005 . 2 . . . A 279 VAL HG13 . 19904 1 194 . 1 1 16 16 VAL HG21 H 1 0.065 0.005 . 2 . . . A 279 VAL HG21 . 19904 1 195 . 1 1 16 16 VAL HG22 H 1 0.065 0.005 . 2 . . . A 279 VAL HG22 . 19904 1 196 . 1 1 16 16 VAL HG23 H 1 0.065 0.005 . 2 . . . A 279 VAL HG23 . 19904 1 197 . 1 1 16 16 VAL C C 13 175.085 0.020 . 1 . . . A 279 VAL C . 19904 1 198 . 1 1 16 16 VAL CA C 13 60.510 0.020 . 1 . . . A 279 VAL CA . 19904 1 199 . 1 1 16 16 VAL CB C 13 31.450 0.020 . 1 . . . A 279 VAL CB . 19904 1 200 . 1 1 16 16 VAL CG1 C 13 16.951 0.020 . 2 . . . A 279 VAL CG1 . 19904 1 201 . 1 1 16 16 VAL CG2 C 13 19.614 0.020 . 2 . . . A 279 VAL CG2 . 19904 1 202 . 1 1 16 16 VAL N N 15 113.297 0.030 . 1 . . . A 279 VAL N . 19904 1 203 . 1 1 17 17 ARG H H 1 8.305 0.001 . 1 . . . A 280 ARG H . 19904 1 204 . 1 1 17 17 ARG HA H 1 3.990 0.005 . 1 . . . A 280 ARG HA . 19904 1 205 . 1 1 17 17 ARG HB2 H 1 1.715 0.005 . 2 . . . A 280 ARG HB2 . 19904 1 206 . 1 1 17 17 ARG HB3 H 1 1.757 0.005 . 2 . . . A 280 ARG HB3 . 19904 1 207 . 1 1 17 17 ARG HG2 H 1 1.599 0.005 . 2 . . . A 280 ARG HG2 . 19904 1 208 . 1 1 17 17 ARG HG3 H 1 1.620 0.005 . 2 . . . A 280 ARG HG3 . 19904 1 209 . 1 1 17 17 ARG HD2 H 1 3.152 0.005 . 2 . . . A 280 ARG HD2 . 19904 1 210 . 1 1 17 17 ARG HD3 H 1 3.197 0.005 . 2 . . . A 280 ARG HD3 . 19904 1 211 . 1 1 17 17 ARG C C 13 177.14 0.020 . 1 . . . A 280 ARG C . 19904 1 212 . 1 1 17 17 ARG CA C 13 58.501 0.020 . 1 . . . A 280 ARG CA . 19904 1 213 . 1 1 17 17 ARG CB C 13 29.664 0.020 . 1 . . . A 280 ARG CB . 19904 1 214 . 1 1 17 17 ARG CG C 13 27.115 0.020 . 1 . . . A 280 ARG CG . 19904 1 215 . 1 1 17 17 ARG CD C 13 42.707 0.020 . 1 . . . A 280 ARG CD . 19904 1 216 . 1 1 17 17 ARG N N 15 119.898 0.030 . 1 . . . A 280 ARG N . 19904 1 217 . 1 1 18 18 ARG H H 1 8.304 0.001 . 1 . . . A 281 ARG H . 19904 1 218 . 1 1 18 18 ARG HA H 1 4.643 0.005 . 1 . . . A 281 ARG HA . 19904 1 219 . 1 1 18 18 ARG HB2 H 1 1.835 0.005 . 2 . . . A 281 ARG HB2 . 19904 1 220 . 1 1 18 18 ARG HB3 H 1 1.712 0.005 . 2 . . . A 281 ARG HB3 . 19904 1 221 . 1 1 18 18 ARG HG2 H 1 1.507 0.005 . 2 . . . A 281 ARG HG2 . 19904 1 222 . 1 1 18 18 ARG HG3 H 1 1.483 0.005 . 2 . . . A 281 ARG HG3 . 19904 1 223 . 1 1 18 18 ARG HD2 H 1 3.138 0.005 . 2 . . . A 281 ARG HD2 . 19904 1 224 . 1 1 18 18 ARG HD3 H 1 3.173 0.005 . 2 . . . A 281 ARG HD3 . 19904 1 225 . 1 1 18 18 ARG C C 13 173.78 0.020 . 1 . . . A 281 ARG C . 19904 1 226 . 1 1 18 18 ARG CA C 13 53.059 0.020 . 1 . . . A 281 ARG CA . 19904 1 227 . 1 1 18 18 ARG CB C 13 29.538 0.020 . 1 . . . A 281 ARG CB . 19904 1 228 . 1 1 18 18 ARG CG C 13 27.076 0.020 . 1 . . . A 281 ARG CG . 19904 1 229 . 1 1 18 18 ARG CD C 13 42.807 0.020 . 1 . . . A 281 ARG CD . 19904 1 230 . 1 1 18 18 ARG N N 15 116.580 0.030 . 1 . . . A 281 ARG N . 19904 1 231 . 1 1 19 19 PRO HA H 1 4.177 0.005 . 1 . . . A 282 PRO HA . 19904 1 232 . 1 1 19 19 PRO HB2 H 1 1.758 0.005 . 2 . . . A 282 PRO HB2 . 19904 1 233 . 1 1 19 19 PRO HB3 H 1 2.505 0.005 . 2 . . . A 282 PRO HB3 . 19904 1 234 . 1 1 19 19 PRO HG2 H 1 2.136 0.002 . 2 . . . A 282 PRO HG2 . 19904 1 235 . 1 1 19 19 PRO HG3 H 1 1.936 0.005 . 2 . . . A 282 PRO HG3 . 19904 1 236 . 1 1 19 19 PRO HD2 H 1 3.559 0.005 . 2 . . . A 282 PRO HD2 . 19904 1 237 . 1 1 19 19 PRO HD3 H 1 3.592 0.005 . 2 . . . A 282 PRO HD3 . 19904 1 238 . 1 1 19 19 PRO C C 13 174.025 0.020 . 1 . . . A 282 PRO C . 19904 1 239 . 1 1 19 19 PRO CA C 13 62.693 0.020 . 1 . . . A 282 PRO CA . 19904 1 240 . 1 1 19 19 PRO CB C 13 27.756 0.020 . 1 . . . A 282 PRO CB . 19904 1 241 . 1 1 20 20 SER H H 1 8.587 0.005 . 1 . . . A 283 SER H . 19904 1 242 . 1 1 20 20 SER HA H 1 5.172 0.005 . 1 . . . A 283 SER HA . 19904 1 243 . 1 1 20 20 SER HB2 H 1 3.219 0.005 . 2 . . . A 283 SER HB2 . 19904 1 244 . 1 1 20 20 SER HB3 H 1 3.431 0.005 . 2 . . . A 283 SER HB3 . 19904 1 245 . 1 1 20 20 SER C C 13 173.486 0.020 . 1 . . . A 283 SER C . 19904 1 246 . 1 1 20 20 SER CA C 13 56.630 0.020 . 1 . . . A 283 SER CA . 19904 1 247 . 1 1 20 20 SER CB C 13 65.310 0.020 . 1 . . . A 283 SER CB . 19904 1 248 . 1 1 20 20 SER N N 15 119.112 0.030 . 1 . . . A 283 SER N . 19904 1 249 . 1 1 21 21 SER H H 1 9.000 0.001 . 1 . . . A 284 SER H . 19904 1 250 . 1 1 21 21 SER HA H 1 4.448 0.011 . 1 . . . A 284 SER HA . 19904 1 251 . 1 1 21 21 SER HB2 H 1 3.925 0.005 . 2 . . . A 284 SER HB2 . 19904 1 252 . 1 1 21 21 SER HB3 H 1 3.680 0.005 . 2 . . . A 284 SER HB3 . 19904 1 253 . 1 1 21 21 SER C C 13 175.654 0.020 . 1 . . . A 284 SER C . 19904 1 254 . 1 1 21 21 SER CA C 13 57.984 0.020 . 1 . . . A 284 SER CA . 19904 1 255 . 1 1 21 21 SER CB C 13 63.579 0.020 . 1 . . . A 284 SER CB . 19904 1 256 . 1 1 21 21 SER N N 15 116.758 0.030 . 1 . . . A 284 SER N . 19904 1 257 . 1 1 22 22 LEU H H 1 8.292 0.001 . 1 . . . A 285 LEU H . 19904 1 258 . 1 1 22 22 LEU HA H 1 4.560 0.005 . 1 . . . A 285 LEU HA . 19904 1 259 . 1 1 22 22 LEU HB2 H 1 1.836 0.002 . 2 . . . A 285 LEU HB2 . 19904 1 260 . 1 1 22 22 LEU HB3 H 1 1.508 0.005 . 2 . . . A 285 LEU HB3 . 19904 1 261 . 1 1 22 22 LEU HG H 1 1.603 0.005 . 1 . . . A 285 LEU HG . 19904 1 262 . 1 1 22 22 LEU HD11 H 1 0.933 0.005 . 2 . . . A 285 LEU HD11 . 19904 1 263 . 1 1 22 22 LEU HD12 H 1 0.933 0.005 . 2 . . . A 285 LEU HD12 . 19904 1 264 . 1 1 22 22 LEU HD13 H 1 0.933 0.005 . 2 . . . A 285 LEU HD13 . 19904 1 265 . 1 1 22 22 LEU HD21 H 1 0.800 0.005 . 2 . . . A 285 LEU HD21 . 19904 1 266 . 1 1 22 22 LEU HD22 H 1 0.800 0.005 . 2 . . . A 285 LEU HD22 . 19904 1 267 . 1 1 22 22 LEU HD23 H 1 0.800 0.005 . 2 . . . A 285 LEU HD23 . 19904 1 268 . 1 1 22 22 LEU C C 13 175.041 0.020 . 1 . . . A 285 LEU C . 19904 1 269 . 1 1 22 22 LEU CA C 13 53.332 0.020 . 1 . . . A 285 LEU CA . 19904 1 270 . 1 1 22 22 LEU CB C 13 41.996 0.020 . 1 . . . A 285 LEU CB . 19904 1 271 . 1 1 22 22 LEU CG C 13 27.559 0.020 . 1 . . . A 285 LEU CG . 19904 1 272 . 1 1 22 22 LEU CD1 C 13 23.280 0.020 . 2 . . . A 285 LEU CD1 . 19904 1 273 . 1 1 22 22 LEU CD2 C 13 24.640 0.020 . 2 . . . A 285 LEU CD2 . 19904 1 274 . 1 1 22 22 LEU N N 15 129.332 0.030 . 1 . . . A 285 LEU N . 19904 1 275 . 1 1 23 23 ALA H H 1 7.521 0.001 . 1 . . . A 286 ALA H . 19904 1 276 . 1 1 23 23 ALA HA H 1 4.174 0.005 . 1 . . . A 286 ALA HA . 19904 1 277 . 1 1 23 23 ALA HB1 H 1 1.358 0.001 . 1 . . . A 286 ALA HB1 . 19904 1 278 . 1 1 23 23 ALA HB2 H 1 1.358 0.001 . 1 . . . A 286 ALA HB2 . 19904 1 279 . 1 1 23 23 ALA HB3 H 1 1.358 0.001 . 1 . . . A 286 ALA HB3 . 19904 1 280 . 1 1 23 23 ALA C C 13 178.459 0.020 . 1 . . . A 286 ALA C . 19904 1 281 . 1 1 23 23 ALA CA C 13 50.357 0.020 . 1 . . . A 286 ALA CA . 19904 1 282 . 1 1 23 23 ALA CB C 13 18.298 0.020 . 1 . . . A 286 ALA CB . 19904 1 283 . 1 1 23 23 ALA N N 15 125.266 0.030 . 1 . . . A 286 ALA N . 19904 1 284 . 1 1 24 24 PRO HA H 1 4.406 0.005 . 1 . . . A 287 PRO HA . 19904 1 285 . 1 1 24 24 PRO HB2 H 1 1.839 0.005 . 2 . . . A 287 PRO HB2 . 19904 1 286 . 1 1 24 24 PRO HB3 H 1 2.265 0.005 . 2 . . . A 287 PRO HB3 . 19904 1 287 . 1 1 24 24 PRO HG2 H 1 1.941 0.005 . 2 . . . A 287 PRO HG2 . 19904 1 288 . 1 1 24 24 PRO HG3 H 1 1.936 0.002 . 2 . . . A 287 PRO HG3 . 19904 1 289 . 1 1 24 24 PRO HD2 H 1 3.722 0.005 . 2 . . . A 287 PRO HD2 . 19904 1 290 . 1 1 24 24 PRO HD3 H 1 3.561 0.005 . 2 . . . A 287 PRO HD3 . 19904 1 291 . 1 1 24 24 PRO C C 13 178.401 0.020 . 1 . . . A 287 PRO C . 19904 1 292 . 1 1 24 24 PRO CA C 13 64.918 0.020 . 1 . . . A 287 PRO CA . 19904 1 293 . 1 1 24 24 PRO CB C 13 31.480 0.020 . 1 . . . A 287 PRO CB . 19904 1 294 . 1 1 25 25 ARG H H 1 7.997 0.001 . 1 . . . A 288 ARG H . 19904 1 295 . 1 1 25 25 ARG HA H 1 3.997 0.005 . 1 . . . A 288 ARG HA . 19904 1 296 . 1 1 25 25 ARG HB2 H 1 1.894 0.005 . 2 . . . A 288 ARG HB2 . 19904 1 297 . 1 1 25 25 ARG HB3 H 1 1.860 0.005 . 2 . . . A 288 ARG HB3 . 19904 1 298 . 1 1 25 25 ARG HG2 H 1 1.564 0.005 . 2 . . . A 288 ARG HG2 . 19904 1 299 . 1 1 25 25 ARG HG3 H 1 1.599 0.005 . 2 . . . A 288 ARG HG3 . 19904 1 300 . 1 1 25 25 ARG HD2 H 1 3.110 0.005 . 2 . . . A 288 ARG HD2 . 19904 1 301 . 1 1 25 25 ARG HD3 H 1 3.261 0.005 . 2 . . . A 288 ARG HD3 . 19904 1 302 . 1 1 25 25 ARG C C 13 175.526 0.020 . 1 . . . A 288 ARG C . 19904 1 303 . 1 1 25 25 ARG CA C 13 57.993 0.020 . 1 . . . A 288 ARG CA . 19904 1 304 . 1 1 25 25 ARG CB C 13 29.623 0.020 . 1 . . . A 288 ARG CB . 19904 1 305 . 1 1 25 25 ARG CG C 13 26.966 0.020 . 1 . . . A 288 ARG CG . 19904 1 306 . 1 1 25 25 ARG CD C 13 42.726 0.020 . 1 . . . A 288 ARG CD . 19904 1 307 . 1 1 25 25 ARG N N 15 113.570 0.030 . 1 . . . A 288 ARG N . 19904 1 308 . 1 1 26 26 ASN H H 1 7.314 0.002 . 1 . . . A 289 ASN H . 19904 1 309 . 1 1 26 26 ASN HA H 1 4.684 0.005 . 1 . . . A 289 ASN HA . 19904 1 310 . 1 1 26 26 ASN HB2 H 1 2.969 0.005 . 2 . . . A 289 ASN HB2 . 19904 1 311 . 1 1 26 26 ASN HB3 H 1 2.400 0.005 . 2 . . . A 289 ASN HB3 . 19904 1 312 . 1 1 26 26 ASN HD21 H 1 6.560 0.002 . 1 . . . A 289 ASN HD21 . 19904 1 313 . 1 1 26 26 ASN HD22 H 1 7.622 0.007 . 1 . . . A 289 ASN HD22 . 19904 1 314 . 1 1 26 26 ASN C C 13 173.661 0.020 . 1 . . . A 289 ASN C . 19904 1 315 . 1 1 26 26 ASN CA C 13 51.481 0.020 . 1 . . . A 289 ASN CA . 19904 1 316 . 1 1 26 26 ASN CB C 13 36.343 0.020 . 1 . . . A 289 ASN CB . 19904 1 317 . 1 1 26 26 ASN N N 15 118.698 0.030 . 1 . . . A 289 ASN N . 19904 1 318 . 1 1 26 26 ASN ND2 N 15 111.073 0.028 . 1 . . . A 289 ASN ND2 . 19904 1 319 . 1 1 27 27 LYS H H 1 6.739 0.004 . 1 . . . A 290 LYS H . 19904 1 320 . 1 1 27 27 LYS HA H 1 3.545 0.005 . 1 . . . A 290 LYS HA . 19904 1 321 . 1 1 27 27 LYS HB2 H 1 1.607 0.005 . 2 . . . A 290 LYS HB2 . 19904 1 322 . 1 1 27 27 LYS HB3 H 1 1.638 0.005 . 2 . . . A 290 LYS HB3 . 19904 1 323 . 1 1 27 27 LYS HG2 H 1 1.261 0.005 . 2 . . . A 290 LYS HG2 . 19904 1 324 . 1 1 27 27 LYS HG3 H 1 1.287 0.005 . 2 . . . A 290 LYS HG3 . 19904 1 325 . 1 1 27 27 LYS HD2 H 1 1.584 0.005 . 2 . . . A 290 LYS HD2 . 19904 1 326 . 1 1 27 27 LYS HD3 H 1 1.568 0.005 . 2 . . . A 290 LYS HD3 . 19904 1 327 . 1 1 27 27 LYS C C 13 177.758 0.020 . 1 . . . A 290 LYS C . 19904 1 328 . 1 1 27 27 LYS CA C 13 58.932 0.020 . 1 . . . A 290 LYS CA . 19904 1 329 . 1 1 27 27 LYS CB C 13 32.223 0.020 . 1 . . . A 290 LYS CB . 19904 1 330 . 1 1 27 27 LYS CG C 13 24.587 0.020 . 1 . . . A 290 LYS CG . 19904 1 331 . 1 1 27 27 LYS CD C 13 29.029 0.020 . 1 . . . A 290 LYS CD . 19904 1 332 . 1 1 27 27 LYS N N 15 122.069 0.030 . 1 . . . A 290 LYS N . 19904 1 333 . 1 1 28 28 GLY H H 1 9.170 0.005 . 1 . . . A 291 GLY H . 19904 1 334 . 1 1 28 28 GLY HA3 H 1 3.546 0.005 . 1 . . . A 291 GLY HA3 . 19904 1 335 . 1 1 28 28 GLY C C 13 174.494 0.020 . 1 . . . A 291 GLY C . 19904 1 336 . 1 1 28 28 GLY CA C 13 44.167 0.020 . 1 . . . A 291 GLY CA . 19904 1 337 . 1 1 28 28 GLY N N 15 115.186 0.030 . 1 . . . A 291 GLY N . 19904 1 338 . 1 1 29 29 GLU H H 1 8.247 0.005 . 1 . . . A 292 GLU H . 19904 1 339 . 1 1 29 29 GLU HA H 1 3.988 0.005 . 1 . . . A 292 GLU HA . 19904 1 340 . 1 1 29 29 GLU HB2 H 1 2.144 0.005 . 2 . . . A 292 GLU HB2 . 19904 1 341 . 1 1 29 29 GLU HB3 H 1 1.843 0.005 . 2 . . . A 292 GLU HB3 . 19904 1 342 . 1 1 29 29 GLU HG2 H 1 2.242 0.005 . 2 . . . A 292 GLU HG2 . 19904 1 343 . 1 1 29 29 GLU HG3 H 1 2.254 0.005 . 2 . . . A 292 GLU HG3 . 19904 1 344 . 1 1 29 29 GLU C C 13 175.961 0.020 . 1 . . . A 292 GLU C . 19904 1 345 . 1 1 29 29 GLU CA C 13 57.456 0.020 . 1 . . . A 292 GLU CA . 19904 1 346 . 1 1 29 29 GLU CB C 13 29.848 0.020 . 1 . . . A 292 GLU CB . 19904 1 347 . 1 1 29 29 GLU CG C 13 36.254 0.020 . 1 . . . A 292 GLU CG . 19904 1 348 . 1 1 29 29 GLU N N 15 123.612 0.030 . 1 . . . A 292 GLU N . 19904 1 349 . 1 1 30 30 LYS H H 1 8.580 0.002 . 1 . . . A 293 LYS H . 19904 1 350 . 1 1 30 30 LYS HA H 1 4.136 0.010 . 1 . . . A 293 LYS HA . 19904 1 351 . 1 1 30 30 LYS HB2 H 1 1.740 0.005 . 2 . . . A 293 LYS HB2 . 19904 1 352 . 1 1 30 30 LYS HB3 H 1 1.762 0.005 . 2 . . . A 293 LYS HB3 . 19904 1 353 . 1 1 30 30 LYS HG2 H 1 1.321 0.005 . 2 . . . A 293 LYS HG2 . 19904 1 354 . 1 1 30 30 LYS HG3 H 1 1.465 0.005 . 2 . . . A 293 LYS HG3 . 19904 1 355 . 1 1 30 30 LYS HD2 H 1 1.667 0.005 . 2 . . . A 293 LYS HD2 . 19904 1 356 . 1 1 30 30 LYS HD3 H 1 1.640 0.005 . 2 . . . A 293 LYS HD3 . 19904 1 357 . 1 1 30 30 LYS HE2 H 1 2.902 0.005 . 2 . . . A 293 LYS HE2 . 19904 1 358 . 1 1 30 30 LYS HE3 H 1 2.881 0.005 . 2 . . . A 293 LYS HE3 . 19904 1 359 . 1 1 30 30 LYS C C 13 175.806 0.020 . 1 . . . A 293 LYS C . 19904 1 360 . 1 1 30 30 LYS CA C 13 57.006 0.020 . 1 . . . A 293 LYS CA . 19904 1 361 . 1 1 30 30 LYS CB C 13 32.352 0.020 . 1 . . . A 293 LYS CB . 19904 1 362 . 1 1 30 30 LYS CG C 13 24.557 0.020 . 1 . . . A 293 LYS CG . 19904 1 363 . 1 1 30 30 LYS CD C 13 28.721 0.020 . 1 . . . A 293 LYS CD . 19904 1 364 . 1 1 30 30 LYS N N 15 127.143 0.030 . 1 . . . A 293 LYS N . 19904 1 365 . 1 1 31 31 ILE H H 1 8.136 0.002 . 1 . . . A 294 ILE H . 19904 1 366 . 1 1 31 31 ILE HA H 1 4.126 0.005 . 1 . . . A 294 ILE HA . 19904 1 367 . 1 1 31 31 ILE HB H 1 1.542 0.005 . 1 . . . A 294 ILE HB . 19904 1 368 . 1 1 31 31 ILE HG12 H 1 1.272 0.005 . 2 . . . A 294 ILE HG12 . 19904 1 369 . 1 1 31 31 ILE HG13 H 1 0.942 0.005 . 2 . . . A 294 ILE HG13 . 19904 1 370 . 1 1 31 31 ILE HG21 H 1 0.570 0.005 . 1 . . . A 294 ILE HG21 . 19904 1 371 . 1 1 31 31 ILE HG22 H 1 0.570 0.005 . 1 . . . A 294 ILE HG22 . 19904 1 372 . 1 1 31 31 ILE HG23 H 1 0.570 0.005 . 1 . . . A 294 ILE HG23 . 19904 1 373 . 1 1 31 31 ILE HD11 H 1 0.530 0.005 . 1 . . . A 294 ILE HD11 . 19904 1 374 . 1 1 31 31 ILE HD12 H 1 0.530 0.005 . 1 . . . A 294 ILE HD12 . 19904 1 375 . 1 1 31 31 ILE HD13 H 1 0.530 0.005 . 1 . . . A 294 ILE HD13 . 19904 1 376 . 1 1 31 31 ILE C C 13 175.418 0.020 . 1 . . . A 294 ILE C . 19904 1 377 . 1 1 31 31 ILE CA C 13 58.365 0.020 . 1 . . . A 294 ILE CA . 19904 1 378 . 1 1 31 31 ILE CB C 13 35.846 0.020 . 1 . . . A 294 ILE CB . 19904 1 379 . 1 1 31 31 ILE CG1 C 13 25.657 0.020 . 1 . . . A 294 ILE CG1 . 19904 1 380 . 1 1 31 31 ILE CG2 C 13 17.110 0.020 . 1 . . . A 294 ILE CG2 . 19904 1 381 . 1 1 31 31 ILE CD1 C 13 9.620 0.020 . 1 . . . A 294 ILE CD1 . 19904 1 382 . 1 1 31 31 ILE N N 15 125.431 0.030 . 1 . . . A 294 ILE N . 19904 1 383 . 1 1 32 32 THR H H 1 8.501 0.001 . 1 . . . A 295 THR H . 19904 1 384 . 1 1 32 32 THR HA H 1 4.391 0.005 . 1 . . . A 295 THR HA . 19904 1 385 . 1 1 32 32 THR HB H 1 4.386 0.005 . 1 . . . A 295 THR HB . 19904 1 386 . 1 1 32 32 THR HG21 H 1 1.032 0.005 . 1 . . . A 295 THR HG1 . 19904 1 387 . 1 1 32 32 THR HG22 H 1 1.032 0.005 . 1 . . . A 295 THR HG1 . 19904 1 388 . 1 1 32 32 THR HG23 H 1 1.032 0.005 . 1 . . . A 295 THR HG1 . 19904 1 389 . 1 1 32 32 THR C C 13 174.692 0.020 . 1 . . . A 295 THR C . 19904 1 390 . 1 1 32 32 THR CA C 13 60.626 0.020 . 1 . . . A 295 THR CA . 19904 1 391 . 1 1 32 32 THR CB C 13 69.692 0.020 . 1 . . . A 295 THR CB . 19904 1 392 . 1 1 32 32 THR CG2 C 13 20.879 0.020 . 1 . . . A 295 THR CG2 . 19904 1 393 . 1 1 32 32 THR N N 15 116.000 0.030 . 1 . . . A 295 THR N . 19904 1 394 . 1 1 33 33 ARG H H 1 7.156 0.001 . 1 . . . A 296 ARG H . 19904 1 395 . 1 1 33 33 ARG HA H 1 4.516 0.005 . 1 . . . A 296 ARG HA . 19904 1 396 . 1 1 33 33 ARG HB2 H 1 2.270 0.005 . 2 . . . A 296 ARG HB2 . 19904 1 397 . 1 1 33 33 ARG HB3 H 1 2.011 0.005 . 2 . . . A 296 ARG HB3 . 19904 1 398 . 1 1 33 33 ARG HG2 H 1 1.567 0.005 . 2 . . . A 296 ARG HG2 . 19904 1 399 . 1 1 33 33 ARG HG3 H 1 1.542 0.005 . 2 . . . A 296 ARG HG3 . 19904 1 400 . 1 1 33 33 ARG HD2 H 1 2.854 0.005 . 2 . . . A 296 ARG HD2 . 19904 1 401 . 1 1 33 33 ARG HD3 H 1 2.886 0.005 . 2 . . . A 296 ARG HD3 . 19904 1 402 . 1 1 33 33 ARG C C 13 173.466 0.020 . 1 . . . A 296 ARG C . 19904 1 403 . 1 1 33 33 ARG CA C 13 55.200 0.020 . 1 . . . A 296 ARG CA . 19904 1 404 . 1 1 33 33 ARG CB C 13 29.990 0.020 . 1 . . . A 296 ARG CB . 19904 1 405 . 1 1 33 33 ARG CG C 13 26.862 0.020 . 1 . . . A 296 ARG CG . 19904 1 406 . 1 1 33 33 ARG CD C 13 42.879 0.020 . 1 . . . A 296 ARG CD . 19904 1 407 . 1 1 33 33 ARG N N 15 122.696 0.030 . 1 . . . A 296 ARG N . 19904 1 408 . 1 1 34 34 SER H H 1 9.144 0.005 . 1 . . . A 297 SER H . 19904 1 409 . 1 1 34 34 SER HA H 1 4.536 0.001 . 1 . . . A 297 SER HA . 19904 1 410 . 1 1 34 34 SER HB2 H 1 4.305 0.005 . 2 . . . A 297 SER HB2 . 19904 1 411 . 1 1 34 34 SER HB3 H 1 4.009 0.005 . 2 . . . A 297 SER HB3 . 19904 1 412 . 1 1 34 34 SER C C 13 175.104 0.020 . 1 . . . A 297 SER C . 19904 1 413 . 1 1 34 34 SER CA C 13 57.072 0.020 . 1 . . . A 297 SER CA . 19904 1 414 . 1 1 34 34 SER CB C 13 65.763 0.020 . 1 . . . A 297 SER CB . 19904 1 415 . 1 1 34 34 SER N N 15 117.773 0.030 . 1 . . . A 297 SER N . 19904 1 416 . 1 1 35 35 ARG H H 1 8.904 0.002 . 1 . . . A 298 ARG H . 19904 1 417 . 1 1 35 35 ARG HA H 1 3.362 0.005 . 1 . . . A 298 ARG HA . 19904 1 418 . 1 1 35 35 ARG HB2 H 1 1.279 0.005 . 2 . . . A 298 ARG HB2 . 19904 1 419 . 1 1 35 35 ARG HB3 H 1 0.897 0.005 . 2 . . . A 298 ARG HB3 . 19904 1 420 . 1 1 35 35 ARG HG2 H 1 0.951 0.005 . 2 . . . A 298 ARG HG2 . 19904 1 421 . 1 1 35 35 ARG HG3 H 1 0.932 0.005 . 2 . . . A 298 ARG HG3 . 19904 1 422 . 1 1 35 35 ARG HD2 H 1 2.974 0.005 . 2 . . . A 298 ARG HD2 . 19904 1 423 . 1 1 35 35 ARG HD3 H 1 2.895 0.005 . 2 . . . A 298 ARG HD3 . 19904 1 424 . 1 1 35 35 ARG C C 13 177.354 0.020 . 1 . . . A 298 ARG C . 19904 1 425 . 1 1 35 35 ARG CA C 13 60.234 0.020 . 1 . . . A 298 ARG CA . 19904 1 426 . 1 1 35 35 ARG CB C 13 29.363 0.020 . 1 . . . A 298 ARG CB . 19904 1 427 . 1 1 35 35 ARG CG C 13 26.405 0.020 . 1 . . . A 298 ARG CG . 19904 1 428 . 1 1 35 35 ARG CD C 13 43.222 0.020 . 1 . . . A 298 ARG CD . 19904 1 429 . 1 1 35 35 ARG N N 15 122.568 0.030 . 1 . . . A 298 ARG N . 19904 1 430 . 1 1 36 36 ALA H H 1 8.120 0.001 . 1 . . . A 299 ALA H . 19904 1 431 . 1 1 36 36 ALA HA H 1 3.861 0.005 . 1 . . . A 299 ALA HA . 19904 1 432 . 1 1 36 36 ALA HB1 H 1 1.254 0.001 . 1 . . . A 299 ALA HB1 . 19904 1 433 . 1 1 36 36 ALA HB2 H 1 1.254 0.001 . 1 . . . A 299 ALA HB2 . 19904 1 434 . 1 1 36 36 ALA HB3 H 1 1.254 0.001 . 1 . . . A 299 ALA HB3 . 19904 1 435 . 1 1 36 36 ALA C C 13 179.945 0.020 . 1 . . . A 299 ALA C . 19904 1 436 . 1 1 36 36 ALA CA C 13 54.849 0.020 . 1 . . . A 299 ALA CA . 19904 1 437 . 1 1 36 36 ALA CB C 13 17.598 0.020 . 1 . . . A 299 ALA CB . 19904 1 438 . 1 1 36 36 ALA N N 15 120.049 0.030 . 1 . . . A 299 ALA N . 19904 1 439 . 1 1 37 37 ASP H H 1 7.877 0.001 . 1 . . . A 300 ASP H . 19904 1 440 . 1 1 37 37 ASP HA H 1 4.313 0.005 . 1 . . . A 300 ASP HA . 19904 1 441 . 1 1 37 37 ASP HB2 H 1 3.108 0.005 . 2 . . . A 300 ASP HB2 . 19904 1 442 . 1 1 37 37 ASP HB3 H 1 2.659 0.005 . 2 . . . A 300 ASP HB3 . 19904 1 443 . 1 1 37 37 ASP C C 13 178.997 0.020 . 1 . . . A 300 ASP C . 19904 1 444 . 1 1 37 37 ASP CA C 13 56.653 0.020 . 1 . . . A 300 ASP CA . 19904 1 445 . 1 1 37 37 ASP CB C 13 40.656 0.020 . 1 . . . A 300 ASP CB . 19904 1 446 . 1 1 37 37 ASP N N 15 118.222 0.030 . 1 . . . A 300 ASP N . 19904 1 447 . 1 1 38 38 ALA H H 1 8.269 0.001 . 1 . . . A 301 ALA H . 19904 1 448 . 1 1 38 38 ALA HA H 1 3.928 0.005 . 1 . . . A 301 ALA HA . 19904 1 449 . 1 1 38 38 ALA HB1 H 1 1.440 0.005 . 1 . . . A 301 ALA HB1 . 19904 1 450 . 1 1 38 38 ALA HB2 H 1 1.440 0.005 . 1 . . . A 301 ALA HB2 . 19904 1 451 . 1 1 38 38 ALA HB3 H 1 1.440 0.005 . 1 . . . A 301 ALA HB3 . 19904 1 452 . 1 1 38 38 ALA C C 13 178.241 0.020 . 1 . . . A 301 ALA C . 19904 1 453 . 1 1 38 38 ALA CA C 13 55.163 0.020 . 1 . . . A 301 ALA CA . 19904 1 454 . 1 1 38 38 ALA CB C 13 18.040 0.020 . 1 . . . A 301 ALA CB . 19904 1 455 . 1 1 38 38 ALA N N 15 124.726 0.030 . 1 . . . A 301 ALA N . 19904 1 456 . 1 1 39 39 ILE H H 1 7.974 0.001 . 1 . . . A 302 ILE H . 19904 1 457 . 1 1 39 39 ILE HA H 1 3.476 0.005 . 1 . . . A 302 ILE HA . 19904 1 458 . 1 1 39 39 ILE HB H 1 1.824 0.005 . 1 . . . A 302 ILE HB . 19904 1 459 . 1 1 39 39 ILE HG12 H 1 0.909 0.005 . 2 . . . A 302 ILE HG12 . 19904 1 460 . 1 1 39 39 ILE HG13 H 1 1.599 0.005 . 2 . . . A 302 ILE HG13 . 19904 1 461 . 1 1 39 39 ILE HG21 H 1 0.795 0.005 . 1 . . . A 302 ILE HG21 . 19904 1 462 . 1 1 39 39 ILE HG22 H 1 0.795 0.005 . 1 . . . A 302 ILE HG22 . 19904 1 463 . 1 1 39 39 ILE HG23 H 1 0.795 0.005 . 1 . . . A 302 ILE HG23 . 19904 1 464 . 1 1 39 39 ILE HD11 H 1 0.672 0.005 . 1 . . . A 302 ILE HD11 . 19904 1 465 . 1 1 39 39 ILE HD12 H 1 0.672 0.005 . 1 . . . A 302 ILE HD12 . 19904 1 466 . 1 1 39 39 ILE HD13 H 1 0.672 0.005 . 1 . . . A 302 ILE HD13 . 19904 1 467 . 1 1 39 39 ILE C C 13 177.579 0.020 . 1 . . . A 302 ILE C . 19904 1 468 . 1 1 39 39 ILE CA C 13 65.121 0.020 . 1 . . . A 302 ILE CA . 19904 1 469 . 1 1 39 39 ILE CB C 13 37.411 0.020 . 1 . . . A 302 ILE CB . 19904 1 470 . 1 1 39 39 ILE CG1 C 13 29.073 0.020 . 1 . . . A 302 ILE CG1 . 19904 1 471 . 1 1 39 39 ILE CG2 C 13 16.784 0.020 . 1 . . . A 302 ILE CG2 . 19904 1 472 . 1 1 39 39 ILE CD1 C 13 12.317 0.020 . 1 . . . A 302 ILE CD1 . 19904 1 473 . 1 1 39 39 ILE N N 15 119.010 0.030 . 1 . . . A 302 ILE N . 19904 1 474 . 1 1 40 40 ASN H H 1 8.122 0.001 . 1 . . . A 303 ASN H . 19904 1 475 . 1 1 40 40 ASN HA H 1 4.332 0.005 . 1 . . . A 303 ASN HA . 19904 1 476 . 1 1 40 40 ASN HB2 H 1 2.803 0.005 . 2 . . . A 303 ASN HB2 . 19904 1 477 . 1 1 40 40 ASN HB3 H 1 2.702 0.005 . 2 . . . A 303 ASN HB3 . 19904 1 478 . 1 1 40 40 ASN HD21 H 1 7.593 0.001 . 1 . . . A 303 ASN HD21 . 19904 1 479 . 1 1 40 40 ASN HD22 H 1 6.743 0.001 . 1 . . . A 303 ASN HD22 . 19904 1 480 . 1 1 40 40 ASN C C 13 178.058 0.020 . 1 . . . A 303 ASN C . 19904 1 481 . 1 1 40 40 ASN CA C 13 55.865 0.020 . 1 . . . A 303 ASN CA . 19904 1 482 . 1 1 40 40 ASN CB C 13 37.589 0.020 . 1 . . . A 303 ASN CB . 19904 1 483 . 1 1 40 40 ASN N N 15 117.393 0.030 . 1 . . . A 303 ASN N . 19904 1 484 . 1 1 40 40 ASN ND2 N 15 111.635 0.004 . 1 . . . A 303 ASN ND2 . 19904 1 485 . 1 1 41 41 LEU H H 1 8.220 0.001 . 1 . . . A 304 LEU H . 19904 1 486 . 1 1 41 41 LEU HA H 1 4.127 0.005 . 1 . . . A 304 LEU HA . 19904 1 487 . 1 1 41 41 LEU HB2 H 1 1.807 0.005 . 2 . . . A 304 LEU HB2 . 19904 1 488 . 1 1 41 41 LEU HB3 H 1 1.587 0.005 . 2 . . . A 304 LEU HB3 . 19904 1 489 . 1 1 41 41 LEU HG H 1 1.373 0.005 . 1 . . . A 304 LEU HG . 19904 1 490 . 1 1 41 41 LEU HD11 H 1 0.844 0.005 . 2 . . . A 304 LEU HD11 . 19904 1 491 . 1 1 41 41 LEU HD12 H 1 0.844 0.005 . 2 . . . A 304 LEU HD12 . 19904 1 492 . 1 1 41 41 LEU HD13 H 1 0.844 0.005 . 2 . . . A 304 LEU HD13 . 19904 1 493 . 1 1 41 41 LEU HD21 H 1 0.820 0.005 . 2 . . . A 304 LEU HD21 . 19904 1 494 . 1 1 41 41 LEU HD22 H 1 0.820 0.005 . 2 . . . A 304 LEU HD22 . 19904 1 495 . 1 1 41 41 LEU HD23 H 1 0.820 0.005 . 2 . . . A 304 LEU HD23 . 19904 1 496 . 1 1 41 41 LEU C C 13 177.597 0.020 . 1 . . . A 304 LEU C . 19904 1 497 . 1 1 41 41 LEU CA C 13 57.816 0.020 . 1 . . . A 304 LEU CA . 19904 1 498 . 1 1 41 41 LEU CB C 13 41.589 0.020 . 1 . . . A 304 LEU CB . 19904 1 499 . 1 1 41 41 LEU CG C 13 27.091 0.020 . 1 . . . A 304 LEU CG . 19904 1 500 . 1 1 41 41 LEU CD1 C 13 23.171 0.020 . 2 . . . A 304 LEU CD1 . 19904 1 501 . 1 1 41 41 LEU CD2 C 13 25.027 0.020 . 2 . . . A 304 LEU CD2 . 19904 1 502 . 1 1 41 41 LEU N N 15 123.846 0.030 . 1 . . . A 304 LEU N . 19904 1 503 . 1 1 42 42 ALA H H 1 7.959 0.001 . 1 . . . A 305 ALA H . 19904 1 504 . 1 1 42 42 ALA HA H 1 3.763 0.005 . 1 . . . A 305 ALA HA . 19904 1 505 . 1 1 42 42 ALA HB1 H 1 1.246 0.005 . 1 . . . A 305 ALA HB1 . 19904 1 506 . 1 1 42 42 ALA HB2 H 1 1.246 0.005 . 1 . . . A 305 ALA HB2 . 19904 1 507 . 1 1 42 42 ALA HB3 H 1 1.246 0.005 . 1 . . . A 305 ALA HB3 . 19904 1 508 . 1 1 42 42 ALA C C 13 178.962 0.020 . 1 . . . A 305 ALA C . 19904 1 509 . 1 1 42 42 ALA CA C 13 55.411 0.020 . 1 . . . A 305 ALA CA . 19904 1 510 . 1 1 42 42 ALA CB C 13 17.619 0.020 . 1 . . . A 305 ALA CB . 19904 1 511 . 1 1 42 42 ALA N N 15 120.677 0.030 . 1 . . . A 305 ALA N . 19904 1 512 . 1 1 43 43 GLN H H 1 8.275 0.001 . 1 . . . A 306 GLN H . 19904 1 513 . 1 1 43 43 GLN HA H 1 3.963 0.005 . 1 . . . A 306 GLN HA . 19904 1 514 . 1 1 43 43 GLN HB2 H 1 2.176 0.005 . 2 . . . A 306 GLN HB2 . 19904 1 515 . 1 1 43 43 GLN HB3 H 1 2.008 0.005 . 2 . . . A 306 GLN HB3 . 19904 1 516 . 1 1 43 43 GLN HG2 H 1 7.187 0.004 . 2 . . . A 306 GLN HG2 . 19904 1 517 . 1 1 43 43 GLN HG3 H 1 6.682 0.002 . 2 . . . A 306 GLN HG3 . 19904 1 518 . 1 1 43 43 GLN HE21 H 1 2.540 0.005 . 1 . . . A 306 GLN HE21 . 19904 1 519 . 1 1 43 43 GLN HE22 H 1 2.334 0.005 . 1 . . . A 306 GLN HE22 . 19904 1 520 . 1 1 43 43 GLN C C 13 178.639 0.020 . 1 . . . A 306 GLN C . 19904 1 521 . 1 1 43 43 GLN CA C 13 58.629 0.020 . 1 . . . A 306 GLN CA . 19904 1 522 . 1 1 43 43 GLN CB C 13 27.777 0.020 . 1 . . . A 306 GLN CB . 19904 1 523 . 1 1 43 43 GLN CG C 13 33.627 0.020 . 1 . . . A 306 GLN CG . 19904 1 524 . 1 1 43 43 GLN N N 15 114.196 0.030 . 1 . . . A 306 GLN N . 19904 1 525 . 1 1 43 43 GLN NE2 N 15 110.045 0.002 . 1 . . . A 306 GLN NE2 . 19904 1 526 . 1 1 44 44 ALA H H 1 8.134 0.001 . 1 . . . A 307 ALA H . 19904 1 527 . 1 1 44 44 ALA HA H 1 4.092 0.005 . 1 . . . A 307 ALA HA . 19904 1 528 . 1 1 44 44 ALA HB1 H 1 1.439 0.005 . 1 . . . A 307 ALA HB1 . 19904 1 529 . 1 1 44 44 ALA HB2 H 1 1.439 0.005 . 1 . . . A 307 ALA HB2 . 19904 1 530 . 1 1 44 44 ALA HB3 H 1 1.439 0.005 . 1 . . . A 307 ALA HB3 . 19904 1 531 . 1 1 44 44 ALA C C 13 180.558 0.020 . 1 . . . A 307 ALA C . 19904 1 532 . 1 1 44 44 ALA CA C 13 54.752 0.020 . 1 . . . A 307 ALA CA . 19904 1 533 . 1 1 44 44 ALA CB C 13 17.241 0.020 . 1 . . . A 307 ALA CB . 19904 1 534 . 1 1 44 44 ALA N N 15 124.632 0.030 . 1 . . . A 307 ALA N . 19904 1 535 . 1 1 45 45 ILE H H 1 7.970 0.001 . 1 . . . A 308 ILE H . 19904 1 536 . 1 1 45 45 ILE HA H 1 3.323 0.005 . 1 . . . A 308 ILE HA . 19904 1 537 . 1 1 45 45 ILE HB H 1 1.756 0.005 . 1 . . . A 308 ILE HB . 19904 1 538 . 1 1 45 45 ILE HG12 H 1 1.268 0.005 . 2 . . . A 308 ILE HG12 . 19904 1 539 . 1 1 45 45 ILE HG13 H 1 -0.366 0.005 . 2 . . . A 308 ILE HG13 . 19904 1 540 . 1 1 45 45 ILE HG21 H 1 0.624 0.005 . 1 . . . A 308 ILE HG21 . 19904 1 541 . 1 1 45 45 ILE HG22 H 1 0.624 0.005 . 1 . . . A 308 ILE HG22 . 19904 1 542 . 1 1 45 45 ILE HG23 H 1 0.624 0.005 . 1 . . . A 308 ILE HG23 . 19904 1 543 . 1 1 45 45 ILE HD11 H 1 0.058 0.005 . 1 . . . A 308 ILE HD11 . 19904 1 544 . 1 1 45 45 ILE HD12 H 1 0.058 0.005 . 1 . . . A 308 ILE HD12 . 19904 1 545 . 1 1 45 45 ILE HD13 H 1 0.058 0.005 . 1 . . . A 308 ILE HD13 . 19904 1 546 . 1 1 45 45 ILE C C 13 178.69 0.020 . 1 . . . A 308 ILE C . 19904 1 547 . 1 1 45 45 ILE CA C 13 65.254 0.020 . 1 . . . A 308 ILE CA . 19904 1 548 . 1 1 45 45 ILE CB C 13 37.531 0.020 . 1 . . . A 308 ILE CB . 19904 1 549 . 1 1 45 45 ILE CG1 C 13 27.472 0.020 . 1 . . . A 308 ILE CG1 . 19904 1 550 . 1 1 45 45 ILE CG2 C 13 17.517 0.020 . 1 . . . A 308 ILE CG2 . 19904 1 551 . 1 1 45 45 ILE CD1 C 13 14.078 0.020 . 1 . . . A 308 ILE CD1 . 19904 1 552 . 1 1 45 45 ILE N N 15 120.659 0.030 . 1 . . . A 308 ILE N . 19904 1 553 . 1 1 46 46 LEU H H 1 7.360 0.002 . 1 . . . A 309 LEU H . 19904 1 554 . 1 1 46 46 LEU HA H 1 4.223 0.005 . 1 . . . A 309 LEU HA . 19904 1 555 . 1 1 46 46 LEU HB2 H 1 1.989 0.005 . 2 . . . A 309 LEU HB2 . 19904 1 556 . 1 1 46 46 LEU HB3 H 1 1.532 0.005 . 2 . . . A 309 LEU HB3 . 19904 1 557 . 1 1 46 46 LEU HG H 1 0.947 0.005 . 1 . . . A 309 LEU HG . 19904 1 558 . 1 1 46 46 LEU HD11 H 1 1.825 0.005 . 2 . . . A 309 LEU HD11 . 19904 1 559 . 1 1 46 46 LEU HD12 H 1 1.825 0.005 . 2 . . . A 309 LEU HD12 . 19904 1 560 . 1 1 46 46 LEU HD13 H 1 1.825 0.005 . 2 . . . A 309 LEU HD13 . 19904 1 561 . 1 1 46 46 LEU HD21 H 1 0.892 0.005 . 2 . . . A 309 LEU HD21 . 19904 1 562 . 1 1 46 46 LEU HD22 H 1 0.892 0.005 . 2 . . . A 309 LEU HD22 . 19904 1 563 . 1 1 46 46 LEU HD23 H 1 0.892 0.005 . 2 . . . A 309 LEU HD23 . 19904 1 564 . 1 1 46 46 LEU C C 13 180.318 0.020 . 1 . . . A 309 LEU C . 19904 1 565 . 1 1 46 46 LEU CA C 13 57.585 0.020 . 1 . . . A 309 LEU CA . 19904 1 566 . 1 1 46 46 LEU CB C 13 41.627 0.020 . 1 . . . A 309 LEU CB . 19904 1 567 . 1 1 46 46 LEU CG C 13 25.729 0.020 . 1 . . . A 309 LEU CG . 19904 1 568 . 1 1 46 46 LEU CD1 C 13 25.645 0.020 . 2 . . . A 309 LEU CD1 . 19904 1 569 . 1 1 46 46 LEU CD2 C 13 22.444 0.020 . 2 . . . A 309 LEU CD2 . 19904 1 570 . 1 1 46 46 LEU N N 15 117.950 0.030 . 1 . . . A 309 LEU N . 19904 1 571 . 1 1 47 47 ALA H H 1 8.135 0.005 . 1 . . . A 310 ALA H . 19904 1 572 . 1 1 47 47 ALA HA H 1 4.072 0.005 . 1 . . . A 310 ALA HA . 19904 1 573 . 1 1 47 47 ALA HB1 H 1 1.456 0.005 . 1 . . . A 310 ALA HB1 . 19904 1 574 . 1 1 47 47 ALA HB2 H 1 1.456 0.005 . 1 . . . A 310 ALA HB2 . 19904 1 575 . 1 1 47 47 ALA HB3 H 1 1.456 0.005 . 1 . . . A 310 ALA HB3 . 19904 1 576 . 1 1 47 47 ALA C C 13 178.951 0.020 . 1 . . . A 310 ALA C . 19904 1 577 . 1 1 47 47 ALA CA C 13 53.869 0.020 . 1 . . . A 310 ALA CA . 19904 1 578 . 1 1 47 47 ALA CB C 13 17.600 0.020 . 1 . . . A 310 ALA CB . 19904 1 579 . 1 1 47 47 ALA N N 15 120.942 0.030 . 1 . . . A 310 ALA N . 19904 1 580 . 1 1 48 48 GLN H H 1 7.615 0.001 . 1 . . . A 311 GLN H . 19904 1 581 . 1 1 48 48 GLN HA H 1 3.947 0.005 . 1 . . . A 311 GLN HA . 19904 1 582 . 1 1 48 48 GLN HB2 H 1 1.959 0.005 . 2 . . . A 311 GLN HB2 . 19904 1 583 . 1 1 48 48 GLN HB3 H 1 1.817 0.005 . 2 . . . A 311 GLN HB3 . 19904 1 584 . 1 1 48 48 GLN HG2 H 1 7.337 0.015 . 2 . . . A 311 GLN HG2 . 19904 1 585 . 1 1 48 48 GLN HG3 H 1 6.703 0.008 . 2 . . . A 311 GLN HG3 . 19904 1 586 . 1 1 48 48 GLN HE21 H 1 2.483 0.005 . 1 . . . A 311 GLN HE21 . 19904 1 587 . 1 1 48 48 GLN HE22 H 1 2.299 0.005 . 1 . . . A 311 GLN HE22 . 19904 1 588 . 1 1 48 48 GLN C C 13 176.153 0.020 . 1 . . . A 311 GLN C . 19904 1 589 . 1 1 48 48 GLN CA C 13 57.455 0.020 . 1 . . . A 311 GLN CA . 19904 1 590 . 1 1 48 48 GLN CB C 13 27.999 0.020 . 1 . . . A 311 GLN CB . 19904 1 591 . 1 1 48 48 GLN CG C 13 33.648 0.020 . 1 . . . A 311 GLN CG . 19904 1 592 . 1 1 48 48 GLN N N 15 116.773 0.030 . 1 . . . A 311 GLN N . 19904 1 593 . 1 1 48 48 GLN NE2 N 15 110.495 0.004 . 1 . . . A 311 GLN NE2 . 19904 1 594 . 1 1 49 49 HIS H H 1 7.373 0.001 . 1 . . . A 312 HIS H . 19904 1 595 . 1 1 49 49 HIS HA H 1 4.686 0.005 . 1 . . . A 312 HIS HA . 19904 1 596 . 1 1 49 49 HIS HB2 H 1 2.506 0.005 . 2 . . . A 312 HIS HB2 . 19904 1 597 . 1 1 49 49 HIS HB3 H 1 2.789 0.005 . 2 . . . A 312 HIS HB3 . 19904 1 598 . 1 1 49 49 HIS HD2 H 1 6.912 0.002 . 1 . . . A 312 HIS HD2 . 19904 1 599 . 1 1 49 49 HIS C C 13 174.641 0.020 . 1 . . . A 312 HIS C . 19904 1 600 . 1 1 49 49 HIS CA C 13 53.597 0.020 . 1 . . . A 312 HIS CA . 19904 1 601 . 1 1 49 49 HIS CB C 13 28.298 0.020 . 1 . . . A 312 HIS CB . 19904 1 602 . 1 1 49 49 HIS N N 15 116.736 0.030 . 1 . . . A 312 HIS N . 19904 1 603 . 1 1 50 50 LYS H H 1 7.494 0.002 . 1 . . . A 313 LYS H . 19904 1 604 . 1 1 50 50 LYS HA H 1 4.048 0.005 . 1 . . . A 313 LYS HA . 19904 1 605 . 1 1 50 50 LYS HB2 H 1 1.864 0.005 . 2 . . . A 313 LYS HB2 . 19904 1 606 . 1 1 50 50 LYS HB3 H 1 1.848 0.005 . 2 . . . A 313 LYS HB3 . 19904 1 607 . 1 1 50 50 LYS HG2 H 1 1.401 0.005 . 2 . . . A 313 LYS HG2 . 19904 1 608 . 1 1 50 50 LYS HG3 H 1 1.420 0.005 . 2 . . . A 313 LYS HG3 . 19904 1 609 . 1 1 50 50 LYS HD2 H 1 1.635 0.005 . 2 . . . A 313 LYS HD2 . 19904 1 610 . 1 1 50 50 LYS HD3 H 1 1.610 0.005 . 2 . . . A 313 LYS HD3 . 19904 1 611 . 1 1 50 50 LYS C C 13 176.491 0.020 . 1 . . . A 313 LYS C . 19904 1 612 . 1 1 50 50 LYS CA C 13 58.207 0.020 . 1 . . . A 313 LYS CA . 19904 1 613 . 1 1 50 50 LYS CB C 13 31.869 0.020 . 1 . . . A 313 LYS CB . 19904 1 614 . 1 1 50 50 LYS CG C 13 23.968 0.020 . 1 . . . A 313 LYS CG . 19904 1 615 . 1 1 50 50 LYS CD C 13 28.999 0.020 . 1 . . . A 313 LYS CD . 19904 1 616 . 1 1 50 50 LYS N N 15 119.417 0.030 . 1 . . . A 313 LYS N . 19904 1 617 . 1 1 51 51 GLU H H 1 8.916 0.004 . 1 . . . A 314 GLU H . 19904 1 618 . 1 1 51 51 GLU HA H 1 4.097 0.005 . 1 . . . A 314 GLU HA . 19904 1 619 . 1 1 51 51 GLU HB2 H 1 1.966 0.005 . 2 . . . A 314 GLU HB2 . 19904 1 620 . 1 1 51 51 GLU HB3 H 1 1.986 0.005 . 2 . . . A 314 GLU HB3 . 19904 1 621 . 1 1 51 51 GLU HG2 H 1 2.081 0.005 . 2 . . . A 314 GLU HG2 . 19904 1 622 . 1 1 51 51 GLU HG3 H 1 2.133 0.005 . 2 . . . A 314 GLU HG3 . 19904 1 623 . 1 1 51 51 GLU C C 13 175.787 0.020 . 1 . . . A 314 GLU C . 19904 1 624 . 1 1 51 51 GLU CA C 13 57.273 0.020 . 1 . . . A 314 GLU CA . 19904 1 625 . 1 1 51 51 GLU CB C 13 28.391 0.020 . 1 . . . A 314 GLU CB . 19904 1 626 . 1 1 51 51 GLU CG C 13 36.109 0.020 . 1 . . . A 314 GLU CG . 19904 1 627 . 1 1 51 51 GLU N N 15 117.754 0.030 . 1 . . . A 314 GLU N . 19904 1 628 . 1 1 52 52 ARG H H 1 7.708 0.001 . 1 . . . A 315 ARG H . 19904 1 629 . 1 1 52 52 ARG HA H 1 4.511 0.005 . 1 . . . A 315 ARG HA . 19904 1 630 . 1 1 52 52 ARG HB2 H 1 1.834 0.005 . 2 . . . A 315 ARG HB2 . 19904 1 631 . 1 1 52 52 ARG HB3 H 1 1.629 0.005 . 2 . . . A 315 ARG HB3 . 19904 1 632 . 1 1 52 52 ARG HG2 H 1 1.600 0.005 . 2 . . . A 315 ARG HG2 . 19904 1 633 . 1 1 52 52 ARG HG3 H 1 1.582 0.005 . 2 . . . A 315 ARG HG3 . 19904 1 634 . 1 1 52 52 ARG HD2 H 1 2.858 0.005 . 2 . . . A 315 ARG HD2 . 19904 1 635 . 1 1 52 52 ARG HD3 H 1 2.824 0.005 . 2 . . . A 315 ARG HD3 . 19904 1 636 . 1 1 52 52 ARG C C 13 175.274 0.020 . 1 . . . A 315 ARG C . 19904 1 637 . 1 1 52 52 ARG CA C 13 55.657 0.020 . 1 . . . A 315 ARG CA . 19904 1 638 . 1 1 52 52 ARG CB C 13 31.484 0.020 . 1 . . . A 315 ARG CB . 19904 1 639 . 1 1 52 52 ARG CG C 13 26.858 0.020 . 1 . . . A 315 ARG CG . 19904 1 640 . 1 1 52 52 ARG CD C 13 43.192 0.020 . 1 . . . A 315 ARG CD . 19904 1 641 . 1 1 52 52 ARG N N 15 118.808 0.030 . 1 . . . A 315 ARG N . 19904 1 642 . 1 1 53 53 LYS H H 1 8.698 0.001 . 1 . . . A 316 LYS H . 19904 1 643 . 1 1 53 53 LYS HA H 1 4.502 0.005 . 1 . . . A 316 LYS HA . 19904 1 644 . 1 1 53 53 LYS HB2 H 1 2.034 0.005 . 2 . . . A 316 LYS HB2 . 19904 1 645 . 1 1 53 53 LYS HB3 H 1 1.838 0.005 . 2 . . . A 316 LYS HB3 . 19904 1 646 . 1 1 53 53 LYS HG2 H 1 1.511 0.005 . 2 . . . A 316 LYS HG2 . 19904 1 647 . 1 1 53 53 LYS HG3 H 1 1.495 0.005 . 2 . . . A 316 LYS HG3 . 19904 1 648 . 1 1 53 53 LYS HD2 H 1 1.673 0.005 . 2 . . . A 316 LYS HD2 . 19904 1 649 . 1 1 53 53 LYS HD3 H 1 1.675 0.005 . 2 . . . A 316 LYS HD3 . 19904 1 650 . 1 1 53 53 LYS C C 13 176.342 0.020 . 1 . . . A 316 LYS C . 19904 1 651 . 1 1 53 53 LYS CA C 13 56.580 0.020 . 1 . . . A 316 LYS CA . 19904 1 652 . 1 1 53 53 LYS CB C 13 32.659 0.020 . 1 . . . A 316 LYS CB . 19904 1 653 . 1 1 53 53 LYS CG C 13 24.874 0.020 . 1 . . . A 316 LYS CG . 19904 1 654 . 1 1 53 53 LYS CD C 13 28.425 0.020 . 1 . . . A 316 LYS CD . 19904 1 655 . 1 1 53 53 LYS N N 15 121.953 0.030 . 1 . . . A 316 LYS N . 19904 1 656 . 1 1 54 54 THR H H 1 7.485 0.001 . 1 . . . A 317 THR H . 19904 1 657 . 1 1 54 54 THR HA H 1 4.925 0.005 . 1 . . . A 317 THR HA . 19904 1 658 . 1 1 54 54 THR HB H 1 4.229 0.005 . 1 . . . A 317 THR HB . 19904 1 659 . 1 1 54 54 THR HG21 H 1 1.167 0.005 . 1 . . . A 317 THR HG1 . 19904 1 660 . 1 1 54 54 THR HG22 H 1 1.167 0.005 . 1 . . . A 317 THR HG1 . 19904 1 661 . 1 1 54 54 THR HG23 H 1 1.167 0.005 . 1 . . . A 317 THR HG1 . 19904 1 662 . 1 1 54 54 THR C C 13 174.069 0.020 . 1 . . . A 317 THR C . 19904 1 663 . 1 1 54 54 THR CA C 13 59.929 0.020 . 1 . . . A 317 THR CA . 19904 1 664 . 1 1 54 54 THR CB C 13 70.010 0.020 . 1 . . . A 317 THR CB . 19904 1 665 . 1 1 54 54 THR CG2 C 13 21.441 0.020 . 1 . . . A 317 THR CG2 . 19904 1 666 . 1 1 54 54 THR N N 15 109.590 0.030 . 1 . . . A 317 THR N . 19904 1 667 . 1 1 55 55 TRP H H 1 9.334 0.019 . 1 . . . A 318 TRP H . 19904 1 668 . 1 1 55 55 TRP HA H 1 4.994 0.006 . 1 . . . A 318 TRP HA . 19904 1 669 . 1 1 55 55 TRP HB2 H 1 3.173 0.005 . 2 . . . A 318 TRP HB2 . 19904 1 670 . 1 1 55 55 TRP HB3 H 1 2.803 0.005 . 2 . . . A 318 TRP HB3 . 19904 1 671 . 1 1 55 55 TRP HD1 H 1 6.916 0.003 . 1 . . . A 318 TRP HD1 . 19904 1 672 . 1 1 55 55 TRP HE1 H 1 10.112 0.003 . 1 . . . A 318 TRP HE1 . 19904 1 673 . 1 1 55 55 TRP HE3 H 1 7.039 0.001 . 1 . . . A 318 TRP HE3 . 19904 1 674 . 1 1 55 55 TRP HZ2 H 1 6.864 0.005 . 1 . . . A 318 TRP HZ2 . 19904 1 675 . 1 1 55 55 TRP HZ3 H 1 7.460 0.003 . 1 . . . A 318 TRP HZ3 . 19904 1 676 . 1 1 55 55 TRP HH2 H 1 6.816 0.010 . 1 . . . A 318 TRP HH2 . 19904 1 677 . 1 1 55 55 TRP C C 13 176.926 0.020 . 1 . . . A 318 TRP C . 19904 1 678 . 1 1 55 55 TRP CA C 13 55.069 0.020 . 1 . . . A 318 TRP CA . 19904 1 679 . 1 1 55 55 TRP CB C 13 31.112 0.020 . 1 . . . A 318 TRP CB . 19904 1 680 . 1 1 55 55 TRP N N 15 125.280 0.030 . 1 . . . A 318 TRP N . 19904 1 681 . 1 1 55 55 TRP NE1 N 15 129.992 0.030 . 1 . . . A 318 TRP NE1 . 19904 1 682 . 1 1 56 56 SER H H 1 9.350 0.002 . 1 . . . A 319 SER H . 19904 1 683 . 1 1 56 56 SER HA H 1 4.681 0.005 . 1 . . . A 319 SER HA . 19904 1 684 . 1 1 56 56 SER HB2 H 1 4.274 0.005 . 2 . . . A 319 SER HB2 . 19904 1 685 . 1 1 56 56 SER HB3 H 1 3.901 0.005 . 2 . . . A 319 SER HB3 . 19904 1 686 . 1 1 56 56 SER C C 13 174.483 0.020 . 1 . . . A 319 SER C . 19904 1 687 . 1 1 56 56 SER CA C 13 56.530 0.020 . 1 . . . A 319 SER CA . 19904 1 688 . 1 1 56 56 SER CB C 13 65.129 0.020 . 1 . . . A 319 SER CB . 19904 1 689 . 1 1 56 56 SER N N 15 122.007 0.030 . 1 . . . A 319 SER N . 19904 1 690 . 1 1 57 57 LEU H H 1 8.828 0.001 . 1 . . . A 320 LEU H . 19904 1 691 . 1 1 57 57 LEU HA H 1 3.895 0.005 . 1 . . . A 320 LEU HA . 19904 1 692 . 1 1 57 57 LEU HB2 H 1 1.452 0.005 . 2 . . . A 320 LEU HB2 . 19904 1 693 . 1 1 57 57 LEU HB3 H 1 1.758 0.005 . 2 . . . A 320 LEU HB3 . 19904 1 694 . 1 1 57 57 LEU HG H 1 1.478 0.005 . 1 . . . A 320 LEU HG . 19904 1 695 . 1 1 57 57 LEU HD11 H 1 0.782 0.005 . 2 . . . A 320 LEU HD11 . 19904 1 696 . 1 1 57 57 LEU HD12 H 1 0.782 0.005 . 2 . . . A 320 LEU HD12 . 19904 1 697 . 1 1 57 57 LEU HD13 H 1 0.782 0.005 . 2 . . . A 320 LEU HD13 . 19904 1 698 . 1 1 57 57 LEU HD21 H 1 0.292 0.005 . 2 . . . A 320 LEU HD21 . 19904 1 699 . 1 1 57 57 LEU HD22 H 1 0.292 0.005 . 2 . . . A 320 LEU HD22 . 19904 1 700 . 1 1 57 57 LEU HD23 H 1 0.292 0.005 . 2 . . . A 320 LEU HD23 . 19904 1 701 . 1 1 57 57 LEU C C 13 178.184 0.020 . 1 . . . A 320 LEU C . 19904 1 702 . 1 1 57 57 LEU CA C 13 58.307 0.020 . 1 . . . A 320 LEU CA . 19904 1 703 . 1 1 57 57 LEU CB C 13 40.951 0.020 . 1 . . . A 320 LEU CB . 19904 1 704 . 1 1 57 57 LEU CG C 13 26.535 0.020 . 1 . . . A 320 LEU CG . 19904 1 705 . 1 1 57 57 LEU CD1 C 13 25.182 0.020 . 2 . . . A 320 LEU CD1 . 19904 1 706 . 1 1 57 57 LEU CD2 C 13 22.705 0.020 . 2 . . . A 320 LEU CD2 . 19904 1 707 . 1 1 57 57 LEU N N 15 123.899 0.030 . 1 . . . A 320 LEU N . 19904 1 708 . 1 1 58 58 ASP H H 1 8.229 0.001 . 1 . . . A 321 ASP H . 19904 1 709 . 1 1 58 58 ASP HA H 1 4.183 0.005 . 1 . . . A 321 ASP HA . 19904 1 710 . 1 1 58 58 ASP HB2 H 1 2.435 0.005 . 2 . . . A 321 ASP HB2 . 19904 1 711 . 1 1 58 58 ASP HB3 H 1 2.532 0.005 . 2 . . . A 321 ASP HB3 . 19904 1 712 . 1 1 58 58 ASP C C 13 179.055 0.020 . 1 . . . A 321 ASP C . 19904 1 713 . 1 1 58 58 ASP CA C 13 57.043 0.020 . 1 . . . A 321 ASP CA . 19904 1 714 . 1 1 58 58 ASP CB C 13 40.308 0.020 . 1 . . . A 321 ASP CB . 19904 1 715 . 1 1 58 58 ASP N N 15 115.249 0.030 . 1 . . . A 321 ASP N . 19904 1 716 . 1 1 59 59 GLU H H 1 7.589 0.002 . 1 . . . A 322 GLU H . 19904 1 717 . 1 1 59 59 GLU HA H 1 3.912 0.005 . 1 . . . A 322 GLU HA . 19904 1 718 . 1 1 59 59 GLU HB2 H 1 1.711 0.005 . 2 . . . A 322 GLU HB2 . 19904 1 719 . 1 1 59 59 GLU HB3 H 1 2.527 0.005 . 2 . . . A 322 GLU HB3 . 19904 1 720 . 1 1 59 59 GLU HG2 H 1 2.279 0.005 . 2 . . . A 322 GLU HG2 . 19904 1 721 . 1 1 59 59 GLU HG3 H 1 2.310 0.005 . 2 . . . A 322 GLU HG3 . 19904 1 722 . 1 1 59 59 GLU C C 13 179.269 0.020 . 1 . . . A 322 GLU C . 19904 1 723 . 1 1 59 59 GLU CA C 13 58.459 0.020 . 1 . . . A 322 GLU CA . 19904 1 724 . 1 1 59 59 GLU CB C 13 30.086 0.020 . 1 . . . A 322 GLU CB . 19904 1 725 . 1 1 59 59 GLU CG C 13 36.844 0.020 . 1 . . . A 322 GLU CG . 19904 1 726 . 1 1 59 59 GLU N N 15 118.743 0.030 . 1 . . . A 322 GLU N . 19904 1 727 . 1 1 60 60 PHE H H 1 8.055 0.002 . 1 . . . A 323 PHE H . 19904 1 728 . 1 1 60 60 PHE HA H 1 4.147 0.005 . 1 . . . A 323 PHE HA . 19904 1 729 . 1 1 60 60 PHE HB2 H 1 1.988 0.004 . 2 . . . A 323 PHE HB2 . 19904 1 730 . 1 1 60 60 PHE HB3 H 1 2.249 0.006 . 2 . . . A 323 PHE HB3 . 19904 1 731 . 1 1 60 60 PHE HD1 H 1 7.035 0.001 . 3 . . . A 323 PHE HD1 . 19904 1 732 . 1 1 60 60 PHE HD2 H 1 7.035 0.001 . 3 . . . A 323 PHE HD2 . 19904 1 733 . 1 1 60 60 PHE HE1 H 1 6.817 0.005 . 3 . . . A 323 PHE HE1 . 19904 1 734 . 1 1 60 60 PHE HE2 H 1 6.817 0.005 . 3 . . . A 323 PHE HE2 . 19904 1 735 . 1 1 60 60 PHE HZ H 1 6.860 0.005 . 1 . . . A 323 PHE HZ . 19904 1 736 . 1 1 60 60 PHE C C 13 176.898 0.020 . 1 . . . A 323 PHE C . 19904 1 737 . 1 1 60 60 PHE CA C 13 62.439 0.020 . 1 . . . A 323 PHE CA . 19904 1 738 . 1 1 60 60 PHE CB C 13 38.980 0.020 . 1 . . . A 323 PHE CB . 19904 1 739 . 1 1 60 60 PHE N N 15 121.809 0.030 . 1 . . . A 323 PHE N . 19904 1 740 . 1 1 61 61 VAL H H 1 9.098 0.001 . 1 . . . A 324 VAL H . 19904 1 741 . 1 1 61 61 VAL HA H 1 3.465 0.005 . 1 . . . A 324 VAL HA . 19904 1 742 . 1 1 61 61 VAL HB H 1 2.050 0.005 . 1 . . . A 324 VAL HB . 19904 1 743 . 1 1 61 61 VAL HG11 H 1 1.234 0.005 . 2 . . . A 324 VAL HG11 . 19904 1 744 . 1 1 61 61 VAL HG12 H 1 1.234 0.005 . 2 . . . A 324 VAL HG12 . 19904 1 745 . 1 1 61 61 VAL HG13 H 1 1.234 0.005 . 2 . . . A 324 VAL HG13 . 19904 1 746 . 1 1 61 61 VAL HG21 H 1 0.879 0.005 . 2 . . . A 324 VAL HG21 . 19904 1 747 . 1 1 61 61 VAL HG22 H 1 0.879 0.005 . 2 . . . A 324 VAL HG22 . 19904 1 748 . 1 1 61 61 VAL HG23 H 1 0.879 0.005 . 2 . . . A 324 VAL HG23 . 19904 1 749 . 1 1 61 61 VAL C C 13 177.569 0.020 . 1 . . . A 324 VAL C . 19904 1 750 . 1 1 61 61 VAL CA C 13 66.454 0.020 . 1 . . . A 324 VAL CA . 19904 1 751 . 1 1 61 61 VAL CB C 13 31.345 0.020 . 1 . . . A 324 VAL CB . 19904 1 752 . 1 1 61 61 VAL CG1 C 13 22.754 0.020 . 2 . . . A 324 VAL CG1 . 19904 1 753 . 1 1 61 61 VAL CG2 C 13 21.096 0.020 . 2 . . . A 324 VAL CG2 . 19904 1 754 . 1 1 61 61 VAL N N 15 118.759 0.030 . 1 . . . A 324 VAL N . 19904 1 755 . 1 1 62 62 GLN H H 1 7.462 0.001 . 1 . . . A 325 GLN H . 19904 1 756 . 1 1 62 62 GLN HA H 1 3.762 0.005 . 1 . . . A 325 GLN HA . 19904 1 757 . 1 1 62 62 GLN HB2 H 1 2.074 0.005 . 2 . . . A 325 GLN HB2 . 19904 1 758 . 1 1 62 62 GLN HB3 H 1 2.105 0.005 . 2 . . . A 325 GLN HB3 . 19904 1 759 . 1 1 62 62 GLN HG2 H 1 7.732 0.001 . 2 . . . A 325 GLN HG2 . 19904 1 760 . 1 1 62 62 GLN HG3 H 1 6.718 0.004 . 2 . . . A 325 GLN HG3 . 19904 1 761 . 1 1 62 62 GLN HE21 H 1 2.360 0.005 . 1 . . . A 325 GLN HE21 . 19904 1 762 . 1 1 62 62 GLN HE22 H 1 2.334 0.005 . 1 . . . A 325 GLN HE22 . 19904 1 763 . 1 1 62 62 GLN C C 13 174.813 0.020 . 1 . . . A 325 GLN C . 19904 1 764 . 1 1 62 62 GLN CA C 13 59.025 0.020 . 1 . . . A 325 GLN CA . 19904 1 765 . 1 1 62 62 GLN CB C 13 27.967 0.020 . 1 . . . A 325 GLN CB . 19904 1 766 . 1 1 62 62 GLN CG C 13 33.224 0.020 . 1 . . . A 325 GLN CG . 19904 1 767 . 1 1 62 62 GLN N N 15 117.732 0.030 . 1 . . . A 325 GLN N . 19904 1 768 . 1 1 62 62 GLN NE2 N 15 115.518 0.002 . 1 . . . A 325 GLN NE2 . 19904 1 769 . 1 1 63 63 VAL H H 1 6.895 0.001 . 1 . . . A 326 VAL H . 19904 1 770 . 1 1 63 63 VAL HA H 1 4.147 0.005 . 1 . . . A 326 VAL HA . 19904 1 771 . 1 1 63 63 VAL HB H 1 2.078 0.005 . 1 . . . A 326 VAL HB . 19904 1 772 . 1 1 63 63 VAL HG11 H 1 1.005 0.005 . 2 . . . A 326 VAL HG11 . 19904 1 773 . 1 1 63 63 VAL HG12 H 1 1.005 0.005 . 2 . . . A 326 VAL HG12 . 19904 1 774 . 1 1 63 63 VAL HG13 H 1 1.005 0.005 . 2 . . . A 326 VAL HG13 . 19904 1 775 . 1 1 63 63 VAL HG21 H 1 0.932 0.005 . 2 . . . A 326 VAL HG21 . 19904 1 776 . 1 1 63 63 VAL HG22 H 1 0.932 0.005 . 2 . . . A 326 VAL HG22 . 19904 1 777 . 1 1 63 63 VAL HG23 H 1 0.932 0.005 . 2 . . . A 326 VAL HG23 . 19904 1 778 . 1 1 63 63 VAL C C 13 178.607 0.020 . 1 . . . A 326 VAL C . 19904 1 779 . 1 1 63 63 VAL CA C 13 64.982 0.020 . 1 . . . A 326 VAL CA . 19904 1 780 . 1 1 63 63 VAL CB C 13 30.895 0.020 . 1 . . . A 326 VAL CB . 19904 1 781 . 1 1 63 63 VAL CG1 C 13 23.065 0.020 . 2 . . . A 326 VAL CG1 . 19904 1 782 . 1 1 63 63 VAL CG2 C 13 21.675 0.020 . 2 . . . A 326 VAL CG2 . 19904 1 783 . 1 1 63 63 VAL N N 15 113.433 0.030 . 1 . . . A 326 VAL N . 19904 1 784 . 1 1 64 64 VAL H H 1 7.908 0.001 . 1 . . . A 327 VAL H . 19904 1 785 . 1 1 64 64 VAL HA H 1 3.307 0.005 . 1 . . . A 327 VAL HA . 19904 1 786 . 1 1 64 64 VAL HB H 1 2.322 0.005 . 1 . . . A 327 VAL HB . 19904 1 787 . 1 1 64 64 VAL HG11 H 1 0.876 0.001 . 2 . . . A 327 VAL HG11 . 19904 1 788 . 1 1 64 64 VAL HG12 H 1 0.876 0.001 . 2 . . . A 327 VAL HG12 . 19904 1 789 . 1 1 64 64 VAL HG13 H 1 0.876 0.001 . 2 . . . A 327 VAL HG13 . 19904 1 790 . 1 1 64 64 VAL HG21 H 1 0.904 0.005 . 2 . . . A 327 VAL HG21 . 19904 1 791 . 1 1 64 64 VAL HG22 H 1 0.904 0.005 . 2 . . . A 327 VAL HG22 . 19904 1 792 . 1 1 64 64 VAL HG23 H 1 0.904 0.005 . 2 . . . A 327 VAL HG23 . 19904 1 793 . 1 1 64 64 VAL C C 13 179.341 0.020 . 1 . . . A 327 VAL C . 19904 1 794 . 1 1 64 64 VAL CA C 13 66.872 0.020 . 1 . . . A 327 VAL CA . 19904 1 795 . 1 1 64 64 VAL CB C 13 31.240 0.020 . 1 . . . A 327 VAL CB . 19904 1 796 . 1 1 64 64 VAL CG1 C 13 19.913 0.020 . 2 . . . A 327 VAL CG1 . 19904 1 797 . 1 1 64 64 VAL CG2 C 13 22.787 0.020 . 2 . . . A 327 VAL CG2 . 19904 1 798 . 1 1 64 64 VAL N N 15 122.958 0.030 . 1 . . . A 327 VAL N . 19904 1 799 . 1 1 65 65 ARG H H 1 8.459 0.002 . 1 . . . A 328 ARG H . 19904 1 800 . 1 1 65 65 ARG HA H 1 3.754 0.005 . 1 . . . A 328 ARG HA . 19904 1 801 . 1 1 65 65 ARG HB2 H 1 1.817 0.005 . 2 . . . A 328 ARG HB2 . 19904 1 802 . 1 1 65 65 ARG HB3 H 1 1.835 0.005 . 2 . . . A 328 ARG HB3 . 19904 1 803 . 1 1 65 65 ARG HG2 H 1 1.680 0.005 . 2 . . . A 328 ARG HG2 . 19904 1 804 . 1 1 65 65 ARG HG3 H 1 1.659 0.005 . 2 . . . A 328 ARG HG3 . 19904 1 805 . 1 1 65 65 ARG HD2 H 1 3.116 0.005 . 2 . . . A 328 ARG HD2 . 19904 1 806 . 1 1 65 65 ARG HD3 H 1 3.284 0.005 . 2 . . . A 328 ARG HD3 . 19904 1 807 . 1 1 65 65 ARG C C 13 177.532 0.020 . 1 . . . A 328 ARG C . 19904 1 808 . 1 1 65 65 ARG CA C 13 59.710 0.020 . 1 . . . A 328 ARG CA . 19904 1 809 . 1 1 65 65 ARG CB C 13 29.819 0.020 . 1 . . . A 328 ARG CB . 19904 1 810 . 1 1 65 65 ARG CG C 13 27.448 0.020 . 1 . . . A 328 ARG CG . 19904 1 811 . 1 1 65 65 ARG CD C 13 42.783 0.020 . 1 . . . A 328 ARG CD . 19904 1 812 . 1 1 65 65 ARG N N 15 118.898 0.030 . 1 . . . A 328 ARG N . 19904 1 813 . 1 1 66 66 ASP H H 1 7.446 0.001 . 1 . . . A 329 ASP H . 19904 1 814 . 1 1 66 66 ASP HA H 1 4.326 0.005 . 1 . . . A 329 ASP HA . 19904 1 815 . 1 1 66 66 ASP HB2 H 1 2.237 0.005 . 2 . . . A 329 ASP HB2 . 19904 1 816 . 1 1 66 66 ASP HB3 H 1 1.546 0.005 . 2 . . . A 329 ASP HB3 . 19904 1 817 . 1 1 66 66 ASP C C 13 177.171 0.020 . 1 . . . A 329 ASP C . 19904 1 818 . 1 1 66 66 ASP CA C 13 55.771 0.020 . 1 . . . A 329 ASP CA . 19904 1 819 . 1 1 66 66 ASP CB C 13 41.983 0.020 . 1 . . . A 329 ASP CB . 19904 1 820 . 1 1 66 66 ASP N N 15 115.125 0.030 . 1 . . . A 329 ASP N . 19904 1 821 . 1 1 67 67 PHE H H 1 8.044 0.002 . 1 . . . A 330 PHE H . 19904 1 822 . 1 1 67 67 PHE HA H 1 4.691 0.004 . 1 . . . A 330 PHE HA . 19904 1 823 . 1 1 67 67 PHE HB2 H 1 2.634 0.005 . 2 . . . A 330 PHE HB2 . 19904 1 824 . 1 1 67 67 PHE HB3 H 1 2.750 0.005 . 2 . . . A 330 PHE HB3 . 19904 1 825 . 1 1 67 67 PHE HD1 H 1 7.289 0.002 . 3 . . . A 330 PHE HD1 . 19904 1 826 . 1 1 67 67 PHE HD2 H 1 7.289 0.002 . 3 . . . A 330 PHE HD2 . 19904 1 827 . 1 1 67 67 PHE HE1 H 1 7.316 0.007 . 3 . . . A 330 PHE HE1 . 19904 1 828 . 1 1 67 67 PHE HE2 H 1 7.316 0.007 . 3 . . . A 330 PHE HE2 . 19904 1 829 . 1 1 67 67 PHE HZ H 1 7.171 0.001 . 1 . . . A 330 PHE HZ . 19904 1 830 . 1 1 67 67 PHE C C 13 176.564 0.020 . 1 . . . A 330 PHE C . 19904 1 831 . 1 1 67 67 PHE CA C 13 58.940 0.020 . 1 . . . A 330 PHE CA . 19904 1 832 . 1 1 67 67 PHE CB C 13 42.781 0.020 . 1 . . . A 330 PHE CB . 19904 1 833 . 1 1 67 67 PHE N N 15 111.221 0.030 . 1 . . . A 330 PHE N . 19904 1 834 . 1 1 68 68 SER H H 1 8.462 0.001 . 1 . . . A 331 SER H . 19904 1 835 . 1 1 68 68 SER HA H 1 4.313 0.005 . 1 . . . A 331 SER HA . 19904 1 836 . 1 1 68 68 SER HB2 H 1 4.011 0.005 . 2 . . . A 331 SER HB2 . 19904 1 837 . 1 1 68 68 SER HB3 H 1 3.997 0.005 . 2 . . . A 331 SER HB3 . 19904 1 838 . 1 1 68 68 SER C C 13 177.009 0.020 . 1 . . . A 331 SER C . 19904 1 839 . 1 1 68 68 SER CA C 13 58.905 0.020 . 1 . . . A 331 SER CA . 19904 1 840 . 1 1 68 68 SER CB C 13 65.317 0.020 . 1 . . . A 331 SER CB . 19904 1 841 . 1 1 68 68 SER N N 15 110.726 0.030 . 1 . . . A 331 SER N . 19904 1 842 . 1 1 69 69 GLU H H 1 9.298 0.002 . 1 . . . A 332 GLU H . 19904 1 843 . 1 1 69 69 GLU HA H 1 4.650 0.001 . 1 . . . A 332 GLU HA . 19904 1 844 . 1 1 69 69 GLU HB2 H 1 1.835 0.005 . 2 . . . A 332 GLU HB2 . 19904 1 845 . 1 1 69 69 GLU HB3 H 1 2.110 0.005 . 2 . . . A 332 GLU HB3 . 19904 1 846 . 1 1 69 69 GLU HG2 H 1 2.474 0.005 . 2 . . . A 332 GLU HG2 . 19904 1 847 . 1 1 69 69 GLU HG3 H 1 2.452 0.005 . 2 . . . A 332 GLU HG3 . 19904 1 848 . 1 1 69 69 GLU C C 13 174.651 0.020 . 1 . . . A 332 GLU C . 19904 1 849 . 1 1 69 69 GLU CA C 13 55.493 0.020 . 1 . . . A 332 GLU CA . 19904 1 850 . 1 1 69 69 GLU CB C 13 29.575 0.020 . 1 . . . A 332 GLU CB . 19904 1 851 . 1 1 69 69 GLU CG C 13 36.086 0.020 . 1 . . . A 332 GLU CG . 19904 1 852 . 1 1 69 69 GLU N N 15 126.213 0.030 . 1 . . . A 332 GLU N . 19904 1 853 . 1 1 70 70 CYS H H 1 7.610 0.002 . 1 . . . A 333 CYS H . 19904 1 854 . 1 1 70 70 CYS HA H 1 4.310 0.005 . 1 . . . A 333 CYS HA . 19904 1 855 . 1 1 70 70 CYS HB2 H 1 2.405 0.005 . 2 . . . A 333 CYS HB2 . 19904 1 856 . 1 1 70 70 CYS HB3 H 1 3.016 0.005 . 2 . . . A 333 CYS HB3 . 19904 1 857 . 1 1 70 70 CYS C C 13 176.082 0.020 . 1 . . . A 333 CYS C . 19904 1 858 . 1 1 70 70 CYS CA C 13 58.718 0.020 . 1 . . . A 333 CYS CA . 19904 1 859 . 1 1 70 70 CYS CB C 13 30.055 0.020 . 1 . . . A 333 CYS CB . 19904 1 860 . 1 1 70 70 CYS N N 15 124.210 0.030 . 1 . . . A 333 CYS N . 19904 1 861 . 1 1 71 71 GLY H H 1 8.712 0.001 . 1 . . . A 334 GLY H . 19904 1 862 . 1 1 71 71 GLY HA3 H 1 3.963 0.005 . 1 . . . A 334 GLY HA3 . 19904 1 863 . 1 1 71 71 GLY C C 13 176.897 0.020 . 1 . . . A 334 GLY C . 19904 1 864 . 1 1 71 71 GLY CA C 13 47.313 0.020 . 1 . . . A 334 GLY CA . 19904 1 865 . 1 1 71 71 GLY N N 15 118.767 0.030 . 1 . . . A 334 GLY N . 19904 1 866 . 1 1 72 72 SER H H 1 10.436 0.001 . 1 . . . A 335 SER H . 19904 1 867 . 1 1 72 72 SER HA H 1 4.146 0.006 . 1 . . . A 335 SER HA . 19904 1 868 . 1 1 72 72 SER HB2 H 1 3.739 0.005 . 2 . . . A 335 SER HB2 . 19904 1 869 . 1 1 72 72 SER HB3 H 1 3.693 0.005 . 2 . . . A 335 SER HB3 . 19904 1 870 . 1 1 72 72 SER C C 13 178.187 0.020 . 1 . . . A 335 SER C . 19904 1 871 . 1 1 72 72 SER CA C 13 61.353 0.020 . 1 . . . A 335 SER CA . 19904 1 872 . 1 1 72 72 SER CB C 13 62.668 0.020 . 1 . . . A 335 SER CB . 19904 1 873 . 1 1 72 72 SER N N 15 123.624 0.030 . 1 . . . A 335 SER N . 19904 1 874 . 1 1 73 73 ALA H H 1 8.480 0.004 . 1 . . . A 336 ALA H . 19904 1 875 . 1 1 73 73 ALA HA H 1 3.991 0.005 . 1 . . . A 336 ALA HA . 19904 1 876 . 1 1 73 73 ALA HB1 H 1 1.521 0.001 . 1 . . . A 336 ALA HB1 . 19904 1 877 . 1 1 73 73 ALA HB2 H 1 1.521 0.001 . 1 . . . A 336 ALA HB2 . 19904 1 878 . 1 1 73 73 ALA HB3 H 1 1.521 0.001 . 1 . . . A 336 ALA HB3 . 19904 1 879 . 1 1 73 73 ALA C C 13 179.335 0.020 . 1 . . . A 336 ALA C . 19904 1 880 . 1 1 73 73 ALA CA C 13 55.115 0.020 . 1 . . . A 336 ALA CA . 19904 1 881 . 1 1 73 73 ALA CB C 13 18.363 0.020 . 1 . . . A 336 ALA CB . 19904 1 882 . 1 1 73 73 ALA N N 15 128.994 0.030 . 1 . . . A 336 ALA N . 19904 1 883 . 1 1 74 74 LYS H H 1 8.043 0.002 . 1 . . . A 337 LYS H . 19904 1 884 . 1 1 74 74 LYS HA H 1 4.146 0.005 . 1 . . . A 337 LYS HA . 19904 1 885 . 1 1 74 74 LYS HB2 H 1 1.982 0.005 . 2 . . . A 337 LYS HB2 . 19904 1 886 . 1 1 74 74 LYS HB3 H 1 1.861 0.005 . 2 . . . A 337 LYS HB3 . 19904 1 887 . 1 1 74 74 LYS HG2 H 1 1.483 0.005 . 2 . . . A 337 LYS HG2 . 19904 1 888 . 1 1 74 74 LYS HG3 H 1 1.521 0.005 . 2 . . . A 337 LYS HG3 . 19904 1 889 . 1 1 74 74 LYS HD2 H 1 1.555 0.005 . 2 . . . A 337 LYS HD2 . 19904 1 890 . 1 1 74 74 LYS HD3 H 1 1.571 0.005 . 2 . . . A 337 LYS HD3 . 19904 1 891 . 1 1 74 74 LYS C C 13 176.392 0.020 . 1 . . . A 337 LYS C . 19904 1 892 . 1 1 74 74 LYS CA C 13 58.981 0.020 . 1 . . . A 337 LYS CA . 19904 1 893 . 1 1 74 74 LYS CB C 13 32.424 0.020 . 1 . . . A 337 LYS CB . 19904 1 894 . 1 1 74 74 LYS CG C 13 24.658 0.020 . 1 . . . A 337 LYS CG . 19904 1 895 . 1 1 74 74 LYS CD C 13 28.537 0.020 . 1 . . . A 337 LYS CD . 19904 1 896 . 1 1 74 74 LYS N N 15 119.815 0.030 . 1 . . . A 337 LYS N . 19904 1 897 . 1 1 75 75 ARG H H 1 7.536 0.001 . 1 . . . A 338 ARG H . 19904 1 898 . 1 1 75 75 ARG HA H 1 4.742 0.005 . 1 . . . A 338 ARG HA . 19904 1 899 . 1 1 75 75 ARG HB2 H 1 1.834 0.005 . 2 . . . A 338 ARG HB2 . 19904 1 900 . 1 1 75 75 ARG HB3 H 1 2.170 0.005 . 2 . . . A 338 ARG HB3 . 19904 1 901 . 1 1 75 75 ARG HG2 H 1 1.636 0.005 . 2 . . . A 338 ARG HG2 . 19904 1 902 . 1 1 75 75 ARG HG3 H 1 1.607 0.005 . 2 . . . A 338 ARG HG3 . 19904 1 903 . 1 1 75 75 ARG HD2 H 1 3.243 0.005 . 2 . . . A 338 ARG HD2 . 19904 1 904 . 1 1 75 75 ARG HD3 H 1 3.220 0.005 . 2 . . . A 338 ARG HD3 . 19904 1 905 . 1 1 75 75 ARG C C 13 175.719 0.020 . 1 . . . A 338 ARG C . 19904 1 906 . 1 1 75 75 ARG CA C 13 54.048 0.020 . 1 . . . A 338 ARG CA . 19904 1 907 . 1 1 75 75 ARG CB C 13 28.796 0.020 . 1 . . . A 338 ARG CB . 19904 1 908 . 1 1 75 75 ARG CG C 13 26.731 0.020 . 1 . . . A 338 ARG CG . 19904 1 909 . 1 1 75 75 ARG CD C 13 43.147 0.020 . 1 . . . A 338 ARG CD . 19904 1 910 . 1 1 75 75 ARG N N 15 118.332 0.030 . 1 . . . A 338 ARG N . 19904 1 911 . 1 1 76 76 ASP H H 1 7.601 0.005 . 1 . . . A 339 ASP H . 19904 1 912 . 1 1 76 76 ASP HA H 1 4.310 0.005 . 1 . . . A 339 ASP HA . 19904 1 913 . 1 1 76 76 ASP HB2 H 1 3.513 0.005 . 2 . . . A 339 ASP HB2 . 19904 1 914 . 1 1 76 76 ASP HB3 H 1 3.020 0.001 . 2 . . . A 339 ASP HB3 . 19904 1 915 . 1 1 76 76 ASP C C 13 171.98 0.020 . 1 . . . A 339 ASP C . 19904 1 916 . 1 1 76 76 ASP CA C 13 56.876 0.020 . 1 . . . A 339 ASP CA . 19904 1 917 . 1 1 76 76 ASP CB C 13 39.268 0.020 . 1 . . . A 339 ASP CB . 19904 1 918 . 1 1 76 76 ASP N N 15 115.890 0.030 . 1 . . . A 339 ASP N . 19904 1 919 . 1 1 77 77 GLY H H 1 8.218 0.005 . 1 . . . A 340 GLY H . 19904 1 920 . 1 1 77 77 GLY HA3 H 1 3.418 0.005 . 1 . . . A 340 GLY HA3 . 19904 1 921 . 1 1 77 77 GLY C C 13 173.185 0.020 . 1 . . . A 340 GLY C . 19904 1 922 . 1 1 77 77 GLY CA C 13 45.440 0.020 . 1 . . . A 340 GLY CA . 19904 1 923 . 1 1 77 77 GLY N N 15 100.656 0.030 . 1 . . . A 340 GLY N . 19904 1 924 . 1 1 78 78 ASP H H 1 6.679 0.005 . 1 . . . A 341 ASP H . 19904 1 925 . 1 1 78 78 ASP HA H 1 3.085 0.005 . 1 . . . A 341 ASP HA . 19904 1 926 . 1 1 78 78 ASP HB2 H 1 2.317 0.005 . 2 . . . A 341 ASP HB2 . 19904 1 927 . 1 1 78 78 ASP HB3 H 1 2.647 0.005 . 2 . . . A 341 ASP HB3 . 19904 1 928 . 1 1 78 78 ASP C C 13 176.146 0.020 . 1 . . . A 341 ASP C . 19904 1 929 . 1 1 78 78 ASP CA C 13 54.461 0.020 . 1 . . . A 341 ASP CA . 19904 1 930 . 1 1 78 78 ASP CB C 13 41.330 0.020 . 1 . . . A 341 ASP CB . 19904 1 931 . 1 1 78 78 ASP N N 15 118.744 0.030 . 1 . . . A 341 ASP N . 19904 1 932 . 1 1 79 79 LEU H H 1 8.837 0.002 . 1 . . . A 342 LEU H . 19904 1 933 . 1 1 79 79 LEU HA H 1 4.333 0.005 . 1 . . . A 342 LEU HA . 19904 1 934 . 1 1 79 79 LEU HB2 H 1 1.759 0.005 . 2 . . . A 342 LEU HB2 . 19904 1 935 . 1 1 79 79 LEU HB3 H 1 1.375 0.005 . 2 . . . A 342 LEU HB3 . 19904 1 936 . 1 1 79 79 LEU HG H 1 1.509 0.005 . 1 . . . A 342 LEU HG . 19904 1 937 . 1 1 79 79 LEU HD11 H 1 0.394 0.003 . 2 . . . A 342 LEU HD11 . 19904 1 938 . 1 1 79 79 LEU HD12 H 1 0.394 0.003 . 2 . . . A 342 LEU HD12 . 19904 1 939 . 1 1 79 79 LEU HD13 H 1 0.394 0.003 . 2 . . . A 342 LEU HD13 . 19904 1 940 . 1 1 79 79 LEU HD21 H 1 0.219 0.004 . 2 . . . A 342 LEU HD21 . 19904 1 941 . 1 1 79 79 LEU HD22 H 1 0.219 0.004 . 2 . . . A 342 LEU HD22 . 19904 1 942 . 1 1 79 79 LEU HD23 H 1 0.219 0.004 . 2 . . . A 342 LEU HD23 . 19904 1 943 . 1 1 79 79 LEU C C 13 177.761 0.020 . 1 . . . A 342 LEU C . 19904 1 944 . 1 1 79 79 LEU CA C 13 54.093 0.020 . 1 . . . A 342 LEU CA . 19904 1 945 . 1 1 79 79 LEU CB C 13 41.896 0.020 . 1 . . . A 342 LEU CB . 19904 1 946 . 1 1 79 79 LEU CG C 13 25.970 0.020 . 1 . . . A 342 LEU CG . 19904 1 947 . 1 1 79 79 LEU CD1 C 13 20.549 0.020 . 2 . . . A 342 LEU CD1 . 19904 1 948 . 1 1 79 79 LEU CD2 C 13 23.712 0.020 . 2 . . . A 342 LEU CD2 . 19904 1 949 . 1 1 79 79 LEU N N 15 127.557 0.030 . 1 . . . A 342 LEU N . 19904 1 950 . 1 1 80 80 GLY H H 1 8.744 0.001 . 1 . . . A 343 GLY H . 19904 1 951 . 1 1 80 80 GLY HA3 H 1 3.771 0.003 . 1 . . . A 343 GLY HA3 . 19904 1 952 . 1 1 80 80 GLY C C 13 171.956 0.020 . 1 . . . A 343 GLY C . 19904 1 953 . 1 1 80 80 GLY CA C 13 44.467 0.020 . 1 . . . A 343 GLY CA . 19904 1 954 . 1 1 80 80 GLY N N 15 109.745 0.030 . 1 . . . A 343 GLY N . 19904 1 955 . 1 1 81 81 MET H H 1 7.894 0.003 . 1 . . . A 344 MET H . 19904 1 956 . 1 1 81 81 MET HA H 1 4.560 0.005 . 1 . . . A 344 MET HA . 19904 1 957 . 1 1 81 81 MET HB2 H 1 1.864 0.005 . 2 . . . A 344 MET HB2 . 19904 1 958 . 1 1 81 81 MET HB3 H 1 1.562 0.005 . 2 . . . A 344 MET HB3 . 19904 1 959 . 1 1 81 81 MET HG2 H 1 2.259 0.005 . 2 . . . A 344 MET HG2 . 19904 1 960 . 1 1 81 81 MET HG3 H 1 2.416 0.005 . 2 . . . A 344 MET HG3 . 19904 1 961 . 1 1 81 81 MET C C 13 176.379 0.020 . 1 . . . A 344 MET C . 19904 1 962 . 1 1 81 81 MET CA C 13 53.095 0.020 . 1 . . . A 344 MET CA . 19904 1 963 . 1 1 81 81 MET CB C 13 29.720 0.020 . 1 . . . A 344 MET CB . 19904 1 964 . 1 1 81 81 MET CG C 13 31.551 0.020 . 1 . . . A 344 MET CG . 19904 1 965 . 1 1 81 81 MET N N 15 118.177 0.030 . 1 . . . A 344 MET N . 19904 1 966 . 1 1 82 82 VAL H H 1 9.085 0.001 . 1 . . . A 345 VAL H . 19904 1 967 . 1 1 82 82 VAL HA H 1 4.257 0.005 . 1 . . . A 345 VAL HA . 19904 1 968 . 1 1 82 82 VAL HB H 1 2.323 0.005 . 1 . . . A 345 VAL HB . 19904 1 969 . 1 1 82 82 VAL HG11 H 1 1.112 0.005 . 2 . . . A 345 VAL HG11 . 19904 1 970 . 1 1 82 82 VAL HG12 H 1 1.112 0.005 . 2 . . . A 345 VAL HG12 . 19904 1 971 . 1 1 82 82 VAL HG13 H 1 1.112 0.005 . 2 . . . A 345 VAL HG13 . 19904 1 972 . 1 1 82 82 VAL HG21 H 1 1.117 0.005 . 2 . . . A 345 VAL HG21 . 19904 1 973 . 1 1 82 82 VAL HG22 H 1 1.117 0.005 . 2 . . . A 345 VAL HG22 . 19904 1 974 . 1 1 82 82 VAL HG23 H 1 1.117 0.005 . 2 . . . A 345 VAL HG23 . 19904 1 975 . 1 1 82 82 VAL C C 13 174.97 0.020 . 1 . . . A 345 VAL C . 19904 1 976 . 1 1 82 82 VAL CA C 13 61.786 0.020 . 1 . . . A 345 VAL CA . 19904 1 977 . 1 1 82 82 VAL CB C 13 33.979 0.020 . 1 . . . A 345 VAL CB . 19904 1 978 . 1 1 82 82 VAL CG1 C 13 22.277 0.020 . 2 . . . A 345 VAL CG1 . 19904 1 979 . 1 1 82 82 VAL CG2 C 13 22.323 0.020 . 2 . . . A 345 VAL CG2 . 19904 1 980 . 1 1 82 82 VAL N N 15 129.209 0.030 . 1 . . . A 345 VAL N . 19904 1 981 . 1 1 83 83 GLU H H 1 8.608 0.001 . 1 . . . A 346 GLU H . 19904 1 982 . 1 1 83 83 GLU HA H 1 4.949 0.005 . 1 . . . A 346 GLU HA . 19904 1 983 . 1 1 83 83 GLU HB2 H 1 1.954 0.005 . 2 . . . A 346 GLU HB2 . 19904 1 984 . 1 1 83 83 GLU HB3 H 1 1.860 0.005 . 2 . . . A 346 GLU HB3 . 19904 1 985 . 1 1 83 83 GLU HG2 H 1 2.288 0.005 . 2 . . . A 346 GLU HG2 . 19904 1 986 . 1 1 83 83 GLU HG3 H 1 2.291 0.005 . 2 . . . A 346 GLU HG3 . 19904 1 987 . 1 1 83 83 GLU C C 13 177.778 0.020 . 1 . . . A 346 GLU C . 19904 1 988 . 1 1 83 83 GLU CA C 13 54.236 0.020 . 1 . . . A 346 GLU CA . 19904 1 989 . 1 1 83 83 GLU CB C 13 31.344 0.020 . 1 . . . A 346 GLU CB . 19904 1 990 . 1 1 83 83 GLU CG C 13 36.217 0.020 . 1 . . . A 346 GLU CG . 19904 1 991 . 1 1 83 83 GLU N N 15 125.940 0.030 . 1 . . . A 346 GLU N . 19904 1 992 . 1 1 84 84 SER H H 1 8.737 0.002 . 1 . . . A 347 SER H . 19904 1 993 . 1 1 84 84 SER HA H 1 4.009 0.005 . 1 . . . A 347 SER HA . 19904 1 994 . 1 1 84 84 SER HB2 H 1 3.332 0.005 . 2 . . . A 347 SER HB2 . 19904 1 995 . 1 1 84 84 SER HB3 H 1 3.023 0.002 . 2 . . . A 347 SER HB3 . 19904 1 996 . 1 1 84 84 SER C C 13 174.791 0.020 . 1 . . . A 347 SER C . 19904 1 997 . 1 1 84 84 SER CA C 13 59.451 0.020 . 1 . . . A 347 SER CA . 19904 1 998 . 1 1 84 84 SER CB C 13 62.340 0.020 . 1 . . . A 347 SER CB . 19904 1 999 . 1 1 84 84 SER N N 15 121.587 0.030 . 1 . . . A 347 SER N . 19904 1 1000 . 1 1 85 85 GLY H H 1 10.247 0.004 . 1 . . . A 348 GLY H . 19904 1 1001 . 1 1 85 85 GLY HA3 H 1 3.750 0.001 . 1 . . . A 348 GLY HA3 . 19904 1 1002 . 1 1 85 85 GLY C C 13 174.951 0.020 . 1 . . . A 348 GLY C . 19904 1 1003 . 1 1 85 85 GLY CA C 13 45.190 0.020 . 1 . . . A 348 GLY CA . 19904 1 1004 . 1 1 85 85 GLY N N 15 114.678 0.030 . 1 . . . A 348 GLY N . 19904 1 1005 . 1 1 86 86 THR H H 1 8.398 0.006 . 1 . . . A 349 THR H . 19904 1 1006 . 1 1 86 86 THR HA H 1 4.026 0.005 . 1 . . . A 349 THR HA . 19904 1 1007 . 1 1 86 86 THR HB H 1 3.995 0.005 . 1 . . . A 349 THR HB . 19904 1 1008 . 1 1 86 86 THR HG21 H 1 0.751 0.005 . 1 . . . A 349 THR HG1 . 19904 1 1009 . 1 1 86 86 THR HG22 H 1 0.751 0.005 . 1 . . . A 349 THR HG1 . 19904 1 1010 . 1 1 86 86 THR HG23 H 1 0.751 0.005 . 1 . . . A 349 THR HG1 . 19904 1 1011 . 1 1 86 86 THR C C 13 174.865 0.020 . 1 . . . A 349 THR C . 19904 1 1012 . 1 1 86 86 THR CA C 13 64.666 0.020 . 1 . . . A 349 THR CA . 19904 1 1013 . 1 1 86 86 THR CB C 13 69.421 0.020 . 1 . . . A 349 THR CB . 19904 1 1014 . 1 1 86 86 THR CG2 C 13 20.510 0.020 . 1 . . . A 349 THR CG2 . 19904 1 1015 . 1 1 86 86 THR N N 15 117.468 0.030 . 1 . . . A 349 THR N . 19904 1 1016 . 1 1 87 87 TYR H H 1 8.869 0.002 . 1 . . . A 350 TYR H . 19904 1 1017 . 1 1 87 87 TYR HA H 1 4.355 0.005 . 1 . . . A 350 TYR HA . 19904 1 1018 . 1 1 87 87 TYR HB2 H 1 2.467 0.005 . 2 . . . A 350 TYR HB2 . 19904 1 1019 . 1 1 87 87 TYR HB3 H 1 2.305 0.005 . 2 . . . A 350 TYR HB3 . 19904 1 1020 . 1 1 87 87 TYR HD1 H 1 6.548 0.002 . 3 . . . A 350 TYR HD1 . 19904 1 1021 . 1 1 87 87 TYR HD2 H 1 6.548 0.002 . 3 . . . A 350 TYR HD2 . 19904 1 1022 . 1 1 87 87 TYR HE1 H 1 6.346 0.001 . 3 . . . A 350 TYR HE1 . 19904 1 1023 . 1 1 87 87 TYR HE2 H 1 6.346 0.001 . 3 . . . A 350 TYR HE2 . 19904 1 1024 . 1 1 87 87 TYR C C 13 174.485 0.020 . 1 . . . A 350 TYR C . 19904 1 1025 . 1 1 87 87 TYR CA C 13 57.361 0.020 . 1 . . . A 350 TYR CA . 19904 1 1026 . 1 1 87 87 TYR CB C 13 38.651 0.020 . 1 . . . A 350 TYR CB . 19904 1 1027 . 1 1 87 87 TYR N N 15 123.120 0.030 . 1 . . . A 350 TYR N . 19904 1 1028 . 1 1 88 88 THR H H 1 7.339 0.002 . 1 . . . A 351 THR H . 19904 1 1029 . 1 1 88 88 THR HA H 1 4.304 0.005 . 1 . . . A 351 THR HA . 19904 1 1030 . 1 1 88 88 THR HB H 1 4.520 0.005 . 1 . . . A 351 THR HB . 19904 1 1031 . 1 1 88 88 THR HG21 H 1 1.329 0.005 . 1 . . . A 351 THR HG1 . 19904 1 1032 . 1 1 88 88 THR HG22 H 1 1.329 0.005 . 1 . . . A 351 THR HG1 . 19904 1 1033 . 1 1 88 88 THR HG23 H 1 1.329 0.005 . 1 . . . A 351 THR HG1 . 19904 1 1034 . 1 1 88 88 THR C C 13 174.584 0.020 . 1 . . . A 351 THR C . 19904 1 1035 . 1 1 88 88 THR CA C 13 61.468 0.020 . 1 . . . A 351 THR CA . 19904 1 1036 . 1 1 88 88 THR CB C 13 70.553 0.020 . 1 . . . A 351 THR CB . 19904 1 1037 . 1 1 88 88 THR CG2 C 13 22.111 0.020 . 1 . . . A 351 THR CG2 . 19904 1 1038 . 1 1 88 88 THR N N 15 109.212 0.030 . 1 . . . A 351 THR N . 19904 1 1039 . 1 1 89 89 GLU H H 1 8.819 0.005 . 1 . . . A 352 GLU H . 19904 1 1040 . 1 1 89 89 GLU HA H 1 4.058 0.005 . 1 . . . A 352 GLU HA . 19904 1 1041 . 1 1 89 89 GLU HB2 H 1 1.998 0.005 . 2 . . . A 352 GLU HB2 . 19904 1 1042 . 1 1 89 89 GLU HB3 H 1 2.093 0.005 . 2 . . . A 352 GLU HB3 . 19904 1 1043 . 1 1 89 89 GLU HG2 H 1 2.312 0.005 . 2 . . . A 352 GLU HG2 . 19904 1 1044 . 1 1 89 89 GLU HG3 H 1 2.277 0.005 . 2 . . . A 352 GLU HG3 . 19904 1 1045 . 1 1 89 89 GLU C C 13 178.294 0.020 . 1 . . . A 352 GLU C . 19904 1 1046 . 1 1 89 89 GLU CA C 13 59.853 0.020 . 1 . . . A 352 GLU CA . 19904 1 1047 . 1 1 89 89 GLU CB C 13 29.322 0.020 . 1 . . . A 352 GLU CB . 19904 1 1048 . 1 1 89 89 GLU CG C 13 36.080 0.020 . 1 . . . A 352 GLU CG . 19904 1 1049 . 1 1 89 89 GLU N N 15 122.460 0.030 . 1 . . . A 352 GLU N . 19904 1 1050 . 1 1 90 90 GLY H H 1 8.734 0.006 . 1 . . . A 353 GLY H . 19904 1 1051 . 1 1 90 90 GLY HA3 H 1 3.913 0.005 . 1 . . . A 353 GLY HA3 . 19904 1 1052 . 1 1 90 90 GLY C C 13 175.285 0.020 . 1 . . . A 353 GLY C . 19904 1 1053 . 1 1 90 90 GLY CA C 13 46.411 0.020 . 1 . . . A 353 GLY CA . 19904 1 1054 . 1 1 90 90 GLY N N 15 107.861 0.030 . 1 . . . A 353 GLY N . 19904 1 1055 . 1 1 91 91 PHE H H 1 7.392 0.003 . 1 . . . A 354 PHE H . 19904 1 1056 . 1 1 91 91 PHE HA H 1 3.691 0.005 . 1 . . . A 354 PHE HA . 19904 1 1057 . 1 1 91 91 PHE HB2 H 1 2.441 0.005 . 2 . . . A 354 PHE HB2 . 19904 1 1058 . 1 1 91 91 PHE HB3 H 1 3.338 0.005 . 2 . . . A 354 PHE HB3 . 19904 1 1059 . 1 1 91 91 PHE HD1 H 1 6.491 0.001 . 3 . . . A 354 PHE HD1 . 19904 1 1060 . 1 1 91 91 PHE HD2 H 1 6.491 0.001 . 3 . . . A 354 PHE HD2 . 19904 1 1061 . 1 1 91 91 PHE HE1 H 1 6.271 0.001 . 3 . . . A 354 PHE HE1 . 19904 1 1062 . 1 1 91 91 PHE HE2 H 1 6.271 0.001 . 3 . . . A 354 PHE HE2 . 19904 1 1063 . 1 1 91 91 PHE HZ H 1 6.028 0.004 . 1 . . . A 354 PHE HZ . 19904 1 1064 . 1 1 91 91 PHE C C 13 176.206 0.020 . 1 . . . A 354 PHE C . 19904 1 1065 . 1 1 91 91 PHE CA C 13 60.625 0.020 . 1 . . . A 354 PHE CA . 19904 1 1066 . 1 1 91 91 PHE CB C 13 39.869 0.020 . 1 . . . A 354 PHE CB . 19904 1 1067 . 1 1 91 91 PHE N N 15 120.792 0.030 . 1 . . . A 354 PHE N . 19904 1 1068 . 1 1 92 92 ASP H H 1 8.339 0.002 . 1 . . . A 355 ASP H . 19904 1 1069 . 1 1 92 92 ASP HA H 1 4.473 0.005 . 1 . . . A 355 ASP HA . 19904 1 1070 . 1 1 92 92 ASP HB2 H 1 2.765 0.005 . 2 . . . A 355 ASP HB2 . 19904 1 1071 . 1 1 92 92 ASP HB3 H 1 2.714 0.005 . 2 . . . A 355 ASP HB3 . 19904 1 1072 . 1 1 92 92 ASP C C 13 178.558 0.020 . 1 . . . A 355 ASP C . 19904 1 1073 . 1 1 92 92 ASP CA C 13 57.792 0.020 . 1 . . . A 355 ASP CA . 19904 1 1074 . 1 1 92 92 ASP CB C 13 40.222 0.020 . 1 . . . A 355 ASP CB . 19904 1 1075 . 1 1 92 92 ASP N N 15 119.990 0.030 . 1 . . . A 355 ASP N . 19904 1 1076 . 1 1 93 93 THR H H 1 8.609 0.001 . 1 . . . A 356 THR H . 19904 1 1077 . 1 1 93 93 THR HA H 1 3.807 0.005 . 1 . . . A 356 THR HA . 19904 1 1078 . 1 1 93 93 THR HB H 1 4.104 0.005 . 1 . . . A 356 THR HB . 19904 1 1079 . 1 1 93 93 THR HG21 H 1 1.188 0.005 . 1 . . . A 356 THR HG1 . 19904 1 1080 . 1 1 93 93 THR HG22 H 1 1.188 0.005 . 1 . . . A 356 THR HG1 . 19904 1 1081 . 1 1 93 93 THR HG23 H 1 1.188 0.005 . 1 . . . A 356 THR HG1 . 19904 1 1082 . 1 1 93 93 THR C C 13 175.928 0.020 . 1 . . . A 356 THR C . 19904 1 1083 . 1 1 93 93 THR CA C 13 66.000 0.020 . 1 . . . A 356 THR CA . 19904 1 1084 . 1 1 93 93 THR CB C 13 68.763 0.020 . 1 . . . A 356 THR CB . 19904 1 1085 . 1 1 93 93 THR CG2 C 13 21.217 0.020 . 1 . . . A 356 THR CG2 . 19904 1 1086 . 1 1 93 93 THR N N 15 114.592 0.030 . 1 . . . A 356 THR N . 19904 1 1087 . 1 1 94 94 VAL H H 1 6.772 0.001 . 1 . . . A 357 VAL H . 19904 1 1088 . 1 1 94 94 VAL HA H 1 3.688 0.005 . 1 . . . A 357 VAL HA . 19904 1 1089 . 1 1 94 94 VAL HB H 1 1.628 0.005 . 1 . . . A 357 VAL HB . 19904 1 1090 . 1 1 94 94 VAL HG11 H 1 0.690 0.005 . 2 . . . A 357 VAL HG11 . 19904 1 1091 . 1 1 94 94 VAL HG12 H 1 0.690 0.005 . 2 . . . A 357 VAL HG12 . 19904 1 1092 . 1 1 94 94 VAL HG13 H 1 0.690 0.005 . 2 . . . A 357 VAL HG13 . 19904 1 1093 . 1 1 94 94 VAL HG21 H 1 0.908 0.005 . 2 . . . A 357 VAL HG21 . 19904 1 1094 . 1 1 94 94 VAL HG22 H 1 0.908 0.005 . 2 . . . A 357 VAL HG22 . 19904 1 1095 . 1 1 94 94 VAL HG23 H 1 0.908 0.005 . 2 . . . A 357 VAL HG23 . 19904 1 1096 . 1 1 94 94 VAL C C 13 178.587 0.020 . 1 . . . A 357 VAL C . 19904 1 1097 . 1 1 94 94 VAL CA C 13 64.692 0.020 . 1 . . . A 357 VAL CA . 19904 1 1098 . 1 1 94 94 VAL CB C 13 32.207 0.020 . 1 . . . A 357 VAL CB . 19904 1 1099 . 1 1 94 94 VAL CG1 C 13 21.425 0.020 . 2 . . . A 357 VAL CG1 . 19904 1 1100 . 1 1 94 94 VAL CG2 C 13 22.134 0.020 . 2 . . . A 357 VAL CG2 . 19904 1 1101 . 1 1 94 94 VAL N N 15 118.669 0.030 . 1 . . . A 357 VAL N . 19904 1 1102 . 1 1 95 95 ALA H H 1 8.890 0.003 . 1 . . . A 358 ALA H . 19904 1 1103 . 1 1 95 95 ALA HA H 1 3.128 0.005 . 1 . . . A 358 ALA HA . 19904 1 1104 . 1 1 95 95 ALA HB1 H 1 0.117 0.005 . 1 . . . A 358 ALA HB1 . 19904 1 1105 . 1 1 95 95 ALA HB2 H 1 0.117 0.005 . 1 . . . A 358 ALA HB2 . 19904 1 1106 . 1 1 95 95 ALA HB3 H 1 0.117 0.005 . 1 . . . A 358 ALA HB3 . 19904 1 1107 . 1 1 95 95 ALA C C 13 179.704 0.020 . 1 . . . A 358 ALA C . 19904 1 1108 . 1 1 95 95 ALA CA C 13 55.202 0.020 . 1 . . . A 358 ALA CA . 19904 1 1109 . 1 1 95 95 ALA CB C 13 17.905 0.020 . 1 . . . A 358 ALA CB . 19904 1 1110 . 1 1 95 95 ALA N N 15 123.356 0.030 . 1 . . . A 358 ALA N . 19904 1 1111 . 1 1 96 96 PHE H H 1 8.431 0.004 . 1 . . . A 359 PHE H . 19904 1 1112 . 1 1 96 96 PHE HA H 1 4.170 0.005 . 1 . . . A 359 PHE HA . 19904 1 1113 . 1 1 96 96 PHE HB2 H 1 3.342 0.005 . 2 . . . A 359 PHE HB2 . 19904 1 1114 . 1 1 96 96 PHE HB3 H 1 3.073 0.005 . 2 . . . A 359 PHE HB3 . 19904 1 1115 . 1 1 96 96 PHE HD1 H 1 7.458 0.005 . 3 . . . A 359 PHE HD1 . 19904 1 1116 . 1 1 96 96 PHE HD2 H 1 7.458 0.005 . 3 . . . A 359 PHE HD2 . 19904 1 1117 . 1 1 96 96 PHE HE1 H 1 7.324 0.001 . 3 . . . A 359 PHE HE1 . 19904 1 1118 . 1 1 96 96 PHE HE2 H 1 7.324 0.001 . 3 . . . A 359 PHE HE2 . 19904 1 1119 . 1 1 96 96 PHE HZ H 1 7.406 0.005 . 1 . . . A 359 PHE HZ . 19904 1 1120 . 1 1 96 96 PHE C C 13 174.348 0.020 . 1 . . . A 359 PHE C . 19904 1 1121 . 1 1 96 96 PHE CA C 13 61.633 0.020 . 1 . . . A 359 PHE CA . 19904 1 1122 . 1 1 96 96 PHE CB C 13 36.448 0.020 . 1 . . . A 359 PHE CB . 19904 1 1123 . 1 1 96 96 PHE N N 15 111.667 0.030 . 1 . . . A 359 PHE N . 19904 1 1124 . 1 1 97 97 SER H H 1 7.348 0.001 . 1 . . . A 360 SER H . 19904 1 1125 . 1 1 97 97 SER HA H 1 4.635 0.005 . 1 . . . A 360 SER HA . 19904 1 1126 . 1 1 97 97 SER HB2 H 1 3.947 0.005 . 2 . . . A 360 SER HB2 . 19904 1 1127 . 1 1 97 97 SER HB3 H 1 3.911 0.005 . 2 . . . A 360 SER HB3 . 19904 1 1128 . 1 1 97 97 SER C C 13 174.47 0.020 . 1 . . . A 360 SER C . 19904 1 1129 . 1 1 97 97 SER CA C 13 58.521 0.020 . 1 . . . A 360 SER CA . 19904 1 1130 . 1 1 97 97 SER CB C 13 64.820 0.020 . 1 . . . A 360 SER CB . 19904 1 1131 . 1 1 97 97 SER N N 15 113.144 0.030 . 1 . . . A 360 SER N . 19904 1 1132 . 1 1 98 98 LEU H H 1 6.790 0.001 . 1 . . . A 361 LEU H . 19904 1 1133 . 1 1 98 98 LEU HA H 1 4.131 0.005 . 1 . . . A 361 LEU HA . 19904 1 1134 . 1 1 98 98 LEU HB2 H 1 1.556 0.005 . 2 . . . A 361 LEU HB2 . 19904 1 1135 . 1 1 98 98 LEU HB3 H 1 1.574 0.005 . 2 . . . A 361 LEU HB3 . 19904 1 1136 . 1 1 98 98 LEU HG H 1 1.438 0.005 . 1 . . . A 361 LEU HG . 19904 1 1137 . 1 1 98 98 LEU HD11 H 1 0.594 0.005 . 2 . . . A 361 LEU HD11 . 19904 1 1138 . 1 1 98 98 LEU HD12 H 1 0.594 0.005 . 2 . . . A 361 LEU HD12 . 19904 1 1139 . 1 1 98 98 LEU HD13 H 1 0.594 0.005 . 2 . . . A 361 LEU HD13 . 19904 1 1140 . 1 1 98 98 LEU HD21 H 1 0.424 0.005 . 2 . . . A 361 LEU HD21 . 19904 1 1141 . 1 1 98 98 LEU HD22 H 1 0.424 0.005 . 2 . . . A 361 LEU HD22 . 19904 1 1142 . 1 1 98 98 LEU HD23 H 1 0.424 0.005 . 2 . . . A 361 LEU HD23 . 19904 1 1143 . 1 1 98 98 LEU C C 13 178.204 0.020 . 1 . . . A 361 LEU C . 19904 1 1144 . 1 1 98 98 LEU CA C 13 55.059 0.020 . 1 . . . A 361 LEU CA . 19904 1 1145 . 1 1 98 98 LEU CB C 13 42.757 0.020 . 1 . . . A 361 LEU CB . 19904 1 1146 . 1 1 98 98 LEU CG C 13 27.225 0.020 . 1 . . . A 361 LEU CG . 19904 1 1147 . 1 1 98 98 LEU CD1 C 13 25.614 0.020 . 2 . . . A 361 LEU CD1 . 19904 1 1148 . 1 1 98 98 LEU CD2 C 13 21.525 0.020 . 2 . . . A 361 LEU CD2 . 19904 1 1149 . 1 1 98 98 LEU N N 15 121.390 0.030 . 1 . . . A 361 LEU N . 19904 1 1150 . 1 1 99 99 LYS H H 1 9.086 0.005 . 1 . . . A 362 LYS H . 19904 1 1151 . 1 1 99 99 LYS HA H 1 4.245 0.005 . 1 . . . A 362 LYS HA . 19904 1 1152 . 1 1 99 99 LYS HB2 H 1 1.475 0.005 . 2 . . . A 362 LYS HB2 . 19904 1 1153 . 1 1 99 99 LYS HB3 H 1 1.821 0.005 . 2 . . . A 362 LYS HB3 . 19904 1 1154 . 1 1 99 99 LYS HG2 H 1 1.402 0.005 . 2 . . . A 362 LYS HG2 . 19904 1 1155 . 1 1 99 99 LYS HG3 H 1 1.439 0.005 . 2 . . . A 362 LYS HG3 . 19904 1 1156 . 1 1 99 99 LYS HD2 H 1 1.620 0.005 . 2 . . . A 362 LYS HD2 . 19904 1 1157 . 1 1 99 99 LYS HD3 H 1 1.647 0.005 . 2 . . . A 362 LYS HD3 . 19904 1 1158 . 1 1 99 99 LYS C C 13 175.967 0.020 . 1 . . . A 362 LYS C . 19904 1 1159 . 1 1 99 99 LYS CA C 13 55.439 0.020 . 1 . . . A 362 LYS CA . 19904 1 1160 . 1 1 99 99 LYS CB C 13 32.792 0.020 . 1 . . . A 362 LYS CB . 19904 1 1161 . 1 1 99 99 LYS CG C 13 24.968 0.020 . 1 . . . A 362 LYS CG . 19904 1 1162 . 1 1 99 99 LYS CD C 13 28.306 0.020 . 1 . . . A 362 LYS CD . 19904 1 1163 . 1 1 99 99 LYS N N 15 124.409 0.030 . 1 . . . A 362 LYS N . 19904 1 1164 . 1 1 100 100 SER H H 1 8.469 0.002 . 1 . . . A 363 SER H . 19904 1 1165 . 1 1 100 100 SER HA H 1 3.294 0.005 . 1 . . . A 363 SER HA . 19904 1 1166 . 1 1 100 100 SER HB2 H 1 3.541 0.005 . 2 . . . A 363 SER HB2 . 19904 1 1167 . 1 1 100 100 SER HB3 H 1 3.589 0.005 . 2 . . . A 363 SER HB3 . 19904 1 1168 . 1 1 100 100 SER C C 13 175.172 0.020 . 1 . . . A 363 SER C . 19904 1 1169 . 1 1 100 100 SER CA C 13 60.816 0.020 . 1 . . . A 363 SER CA . 19904 1 1170 . 1 1 100 100 SER CB C 13 62.342 0.020 . 1 . . . A 363 SER CB . 19904 1 1171 . 1 1 100 100 SER N N 15 115.642 0.030 . 1 . . . A 363 SER N . 19904 1 1172 . 1 1 101 101 GLY H H 1 8.486 0.002 . 1 . . . A 364 GLY H . 19904 1 1173 . 1 1 101 101 GLY HA3 H 1 3.581 0.005 . 1 . . . A 364 GLY HA3 . 19904 1 1174 . 1 1 101 101 GLY C C 13 171.915 0.020 . 1 . . . A 364 GLY C . 19904 1 1175 . 1 1 101 101 GLY CA C 13 45.415 0.020 . 1 . . . A 364 GLY CA . 19904 1 1176 . 1 1 101 101 GLY N N 15 114.871 0.030 . 1 . . . A 364 GLY N . 19904 1 1177 . 1 1 102 102 GLU H H 1 7.594 0.002 . 1 . . . A 365 GLU H . 19904 1 1178 . 1 1 102 102 GLU HA H 1 4.742 0.005 . 1 . . . A 365 GLU HA . 19904 1 1179 . 1 1 102 102 GLU HB2 H 1 1.875 0.005 . 2 . . . A 365 GLU HB2 . 19904 1 1180 . 1 1 102 102 GLU HB3 H 1 1.901 0.005 . 2 . . . A 365 GLU HB3 . 19904 1 1181 . 1 1 102 102 GLU HG2 H 1 2.109 0.005 . 2 . . . A 365 GLU HG2 . 19904 1 1182 . 1 1 102 102 GLU HG3 H 1 2.047 0.005 . 2 . . . A 365 GLU HG3 . 19904 1 1183 . 1 1 102 102 GLU C C 13 174.125 0.020 . 1 . . . A 365 GLU C . 19904 1 1184 . 1 1 102 102 GLU CA C 13 55.276 0.020 . 1 . . . A 365 GLU CA . 19904 1 1185 . 1 1 102 102 GLU CB C 13 32.307 0.020 . 1 . . . A 365 GLU CB . 19904 1 1186 . 1 1 102 102 GLU CG C 13 37.293 0.020 . 1 . . . A 365 GLU CG . 19904 1 1187 . 1 1 102 102 GLU N N 15 119.387 0.030 . 1 . . . A 365 GLU N . 19904 1 1188 . 1 1 103 103 VAL H H 1 7.884 0.001 . 1 . . . A 366 VAL H . 19904 1 1189 . 1 1 103 103 VAL HA H 1 4.836 0.001 . 1 . . . A 366 VAL HA . 19904 1 1190 . 1 1 103 103 VAL HB H 1 1.084 0.005 . 1 . . . A 366 VAL HB . 19904 1 1191 . 1 1 103 103 VAL HG11 H 1 -0.191 0.005 . 2 . . . A 366 VAL HG11 . 19904 1 1192 . 1 1 103 103 VAL HG12 H 1 -0.191 0.005 . 2 . . . A 366 VAL HG12 . 19904 1 1193 . 1 1 103 103 VAL HG13 H 1 -0.191 0.005 . 2 . . . A 366 VAL HG13 . 19904 1 1194 . 1 1 103 103 VAL HG21 H 1 0.404 0.005 . 2 . . . A 366 VAL HG21 . 19904 1 1195 . 1 1 103 103 VAL HG22 H 1 0.404 0.005 . 2 . . . A 366 VAL HG22 . 19904 1 1196 . 1 1 103 103 VAL HG23 H 1 0.404 0.005 . 2 . . . A 366 VAL HG23 . 19904 1 1197 . 1 1 103 103 VAL C C 13 176.061 0.020 . 1 . . . A 366 VAL C . 19904 1 1198 . 1 1 103 103 VAL CA C 13 58.953 0.020 . 1 . . . A 366 VAL CA . 19904 1 1199 . 1 1 103 103 VAL CB C 13 33.653 0.020 . 1 . . . A 366 VAL CB . 19904 1 1200 . 1 1 103 103 VAL CG1 C 13 22.443 0.020 . 2 . . . A 366 VAL CG1 . 19904 1 1201 . 1 1 103 103 VAL CG2 C 13 21.303 0.020 . 2 . . . A 366 VAL CG2 . 19904 1 1202 . 1 1 103 103 VAL N N 15 119.700 0.030 . 1 . . . A 366 VAL N . 19904 1 1203 . 1 1 104 104 SER H H 1 9.056 0.001 . 1 . . . A 367 SER H . 19904 1 1204 . 1 1 104 104 SER HA H 1 4.045 0.005 . 1 . . . A 367 SER HA . 19904 1 1205 . 1 1 104 104 SER HB2 H 1 3.434 0.005 . 2 . . . A 367 SER HB2 . 19904 1 1206 . 1 1 104 104 SER HB3 H 1 3.459 0.005 . 2 . . . A 367 SER HB3 . 19904 1 1207 . 1 1 104 104 SER C C 13 172.87 0.020 . 1 . . . A 367 SER C . 19904 1 1208 . 1 1 104 104 SER CA C 13 58.515 0.020 . 1 . . . A 367 SER CA . 19904 1 1209 . 1 1 104 104 SER CB C 13 66.400 0.020 . 1 . . . A 367 SER CB . 19904 1 1210 . 1 1 104 104 SER N N 15 123.705 0.030 . 1 . . . A 367 SER N . 19904 1 1211 . 1 1 105 105 ALA H H 1 7.269 0.001 . 1 . . . A 368 ALA H . 19904 1 1212 . 1 1 105 105 ALA HA H 1 4.395 0.005 . 1 . . . A 368 ALA HA . 19904 1 1213 . 1 1 105 105 ALA HB1 H 1 1.274 0.005 . 1 . . . A 368 ALA HB1 . 19904 1 1214 . 1 1 105 105 ALA HB2 H 1 1.274 0.005 . 1 . . . A 368 ALA HB2 . 19904 1 1215 . 1 1 105 105 ALA HB3 H 1 1.274 0.005 . 1 . . . A 368 ALA HB3 . 19904 1 1216 . 1 1 105 105 ALA C C 13 175.043 0.020 . 1 . . . A 368 ALA C . 19904 1 1217 . 1 1 105 105 ALA CA C 13 51.112 0.020 . 1 . . . A 368 ALA CA . 19904 1 1218 . 1 1 105 105 ALA CB C 13 16.566 0.020 . 1 . . . A 368 ALA CB . 19904 1 1219 . 1 1 105 105 ALA N N 15 117.355 0.030 . 1 . . . A 368 ALA N . 19904 1 1220 . 1 1 106 106 PRO HA H 1 4.684 0.005 . 1 . . . A 369 PRO HA . 19904 1 1221 . 1 1 106 106 PRO HB2 H 1 1.854 0.005 . 2 . . . A 369 PRO HB2 . 19904 1 1222 . 1 1 106 106 PRO HB3 H 1 2.285 0.002 . 2 . . . A 369 PRO HB3 . 19904 1 1223 . 1 1 106 106 PRO HG2 H 1 1.931 0.005 . 2 . . . A 369 PRO HG2 . 19904 1 1224 . 1 1 106 106 PRO HG3 H 1 1.942 0.005 . 2 . . . A 369 PRO HG3 . 19904 1 1225 . 1 1 106 106 PRO HD2 H 1 3.485 0.001 . 1 . . . A 369 PRO HD2 . 19904 1 1226 . 1 1 106 106 PRO HD3 H 1 3.485 0.005 . 1 . . . A 369 PRO HD3 . 19904 1 1227 . 1 1 106 106 PRO C C 13 176.977 0.020 . 1 . . . A 369 PRO C . 19904 1 1228 . 1 1 106 106 PRO CA C 13 63.191 0.020 . 1 . . . A 369 PRO CA . 19904 1 1229 . 1 1 106 106 PRO CB C 13 30.197 0.020 . 1 . . . A 369 PRO CB . 19904 1 1230 . 1 1 107 107 VAL H H 1 8.969 0.002 . 1 . . . A 370 VAL H . 19904 1 1231 . 1 1 107 107 VAL HA H 1 4.410 0.005 . 1 . . . A 370 VAL HA . 19904 1 1232 . 1 1 107 107 VAL HB H 1 1.839 0.005 . 1 . . . A 370 VAL HB . 19904 1 1233 . 1 1 107 107 VAL HG11 H 1 0.699 0.005 . 2 . . . A 370 VAL HG11 . 19904 1 1234 . 1 1 107 107 VAL HG12 H 1 0.699 0.005 . 2 . . . A 370 VAL HG12 . 19904 1 1235 . 1 1 107 107 VAL HG13 H 1 0.699 0.005 . 2 . . . A 370 VAL HG13 . 19904 1 1236 . 1 1 107 107 VAL HG21 H 1 0.840 0.005 . 2 . . . A 370 VAL HG21 . 19904 1 1237 . 1 1 107 107 VAL HG22 H 1 0.840 0.005 . 2 . . . A 370 VAL HG22 . 19904 1 1238 . 1 1 107 107 VAL HG23 H 1 0.840 0.005 . 2 . . . A 370 VAL HG23 . 19904 1 1239 . 1 1 107 107 VAL C C 13 174.092 0.020 . 1 . . . A 370 VAL C . 19904 1 1240 . 1 1 107 107 VAL CA C 13 60.030 0.020 . 1 . . . A 370 VAL CA . 19904 1 1241 . 1 1 107 107 VAL CB C 13 34.707 0.020 . 1 . . . A 370 VAL CB . 19904 1 1242 . 1 1 107 107 VAL CG1 C 13 21.422 0.020 . 2 . . . A 370 VAL CG1 . 19904 1 1243 . 1 1 107 107 VAL CG2 C 13 20.134 0.020 . 2 . . . A 370 VAL CG2 . 19904 1 1244 . 1 1 107 107 VAL N N 15 124.996 0.030 . 1 . . . A 370 VAL N . 19904 1 1245 . 1 1 108 108 GLU H H 1 8.971 0.002 . 1 . . . A 371 GLU H . 19904 1 1246 . 1 1 108 108 GLU HA H 1 5.188 0.005 . 1 . . . A 371 GLU HA . 19904 1 1247 . 1 1 108 108 GLU HB2 H 1 2.040 0.005 . 2 . . . A 371 GLU HB2 . 19904 1 1248 . 1 1 108 108 GLU HB3 H 1 1.844 0.005 . 2 . . . A 371 GLU HB3 . 19904 1 1249 . 1 1 108 108 GLU HG2 H 1 2.175 0.005 . 2 . . . A 371 GLU HG2 . 19904 1 1250 . 1 1 108 108 GLU HG3 H 1 2.205 0.005 . 2 . . . A 371 GLU HG3 . 19904 1 1251 . 1 1 108 108 GLU C C 13 176.236 0.020 . 1 . . . A 371 GLU C . 19904 1 1252 . 1 1 108 108 GLU CA C 13 56.033 0.020 . 1 . . . A 371 GLU CA . 19904 1 1253 . 1 1 108 108 GLU CB C 13 31.648 0.020 . 1 . . . A 371 GLU CB . 19904 1 1254 . 1 1 108 108 GLU CG C 13 37.239 0.020 . 1 . . . A 371 GLU CG . 19904 1 1255 . 1 1 108 108 GLU N N 15 128.257 0.030 . 1 . . . A 371 GLU N . 19904 1 1256 . 1 1 109 109 THR H H 1 9.378 0.002 . 1 . . . A 372 THR H . 19904 1 1257 . 1 1 109 109 THR HA H 1 4.828 0.001 . 1 . . . A 372 THR HA . 19904 1 1258 . 1 1 109 109 THR HB H 1 4.639 0.005 . 1 . . . A 372 THR HB . 19904 1 1259 . 1 1 109 109 THR HG21 H 1 1.240 0.005 . 1 . . . A 372 THR HG1 . 19904 1 1260 . 1 1 109 109 THR HG22 H 1 1.240 0.005 . 1 . . . A 372 THR HG1 . 19904 1 1261 . 1 1 109 109 THR HG23 H 1 1.240 0.005 . 1 . . . A 372 THR HG1 . 19904 1 1262 . 1 1 109 109 THR C C 13 175.908 0.020 . 1 . . . A 372 THR C . 19904 1 1263 . 1 1 109 109 THR CA C 13 61.175 0.020 . 1 . . . A 372 THR CA . 19904 1 1264 . 1 1 109 109 THR CB C 13 72.651 0.020 . 1 . . . A 372 THR CB . 19904 1 1265 . 1 1 109 109 THR CG2 C 13 22.500 0.020 . 1 . . . A 372 THR CG2 . 19904 1 1266 . 1 1 109 109 THR N N 15 115.774 0.030 . 1 . . . A 372 THR N . 19904 1 1267 . 1 1 110 110 GLU H H 1 9.445 0.010 . 1 . . . A 373 GLU H . 19904 1 1268 . 1 1 110 110 GLU HA H 1 4.354 0.005 . 1 . . . A 373 GLU HA . 19904 1 1269 . 1 1 110 110 GLU HB2 H 1 2.140 0.005 . 2 . . . A 373 GLU HB2 . 19904 1 1270 . 1 1 110 110 GLU HB3 H 1 2.167 0.005 . 2 . . . A 373 GLU HB3 . 19904 1 1271 . 1 1 110 110 GLU HG2 H 1 2.299 0.005 . 2 . . . A 373 GLU HG2 . 19904 1 1272 . 1 1 110 110 GLU HG3 H 1 2.326 0.005 . 2 . . . A 373 GLU HG3 . 19904 1 1273 . 1 1 110 110 GLU C C 13 177.069 0.020 . 1 . . . A 373 GLU C . 19904 1 1274 . 1 1 110 110 GLU CA C 13 58.130 0.020 . 1 . . . A 373 GLU CA . 19904 1 1275 . 1 1 110 110 GLU CB C 13 28.500 0.020 . 1 . . . A 373 GLU CB . 19904 1 1276 . 1 1 110 110 GLU CG C 13 35.783 0.020 . 1 . . . A 373 GLU CG . 19904 1 1277 . 1 1 110 110 GLU N N 15 118.681 0.030 . 1 . . . A 373 GLU N . 19904 1 1278 . 1 1 111 111 LEU H H 1 8.849 0.007 . 1 . . . A 374 LEU H . 19904 1 1279 . 1 1 111 111 LEU HA H 1 4.235 0.005 . 1 . . . A 374 LEU HA . 19904 1 1280 . 1 1 111 111 LEU HB2 H 1 1.810 0.005 . 2 . . . A 374 LEU HB2 . 19904 1 1281 . 1 1 111 111 LEU HB3 H 1 1.471 0.005 . 2 . . . A 374 LEU HB3 . 19904 1 1282 . 1 1 111 111 LEU HG H 1 1.782 0.005 . 1 . . . A 374 LEU HG . 19904 1 1283 . 1 1 111 111 LEU HD11 H 1 1.093 0.005 . 2 . . . A 374 LEU HD11 . 19904 1 1284 . 1 1 111 111 LEU HD12 H 1 1.093 0.005 . 2 . . . A 374 LEU HD12 . 19904 1 1285 . 1 1 111 111 LEU HD13 H 1 1.093 0.005 . 2 . . . A 374 LEU HD13 . 19904 1 1286 . 1 1 111 111 LEU HD21 H 1 0.874 0.005 . 2 . . . A 374 LEU HD21 . 19904 1 1287 . 1 1 111 111 LEU HD22 H 1 0.874 0.005 . 2 . . . A 374 LEU HD22 . 19904 1 1288 . 1 1 111 111 LEU HD23 H 1 0.874 0.005 . 2 . . . A 374 LEU HD23 . 19904 1 1289 . 1 1 111 111 LEU C C 13 176.1 0.020 . 1 . . . A 374 LEU C . 19904 1 1290 . 1 1 111 111 LEU CA C 13 55.074 0.020 . 1 . . . A 374 LEU CA . 19904 1 1291 . 1 1 111 111 LEU CB C 13 41.376 0.020 . 1 . . . A 374 LEU CB . 19904 1 1292 . 1 1 111 111 LEU CG C 13 22.471 0.020 . 1 . . . A 374 LEU CG . 19904 1 1293 . 1 1 111 111 LEU CD1 C 13 25.028 0.020 . 2 . . . A 374 LEU CD1 . 19904 1 1294 . 1 1 111 111 LEU CD2 C 13 26.725 0.020 . 2 . . . A 374 LEU CD2 . 19904 1 1295 . 1 1 111 111 LEU N N 15 118.396 0.030 . 1 . . . A 374 LEU N . 19904 1 1296 . 1 1 112 112 GLY H H 1 7.437 0.002 . 1 . . . A 375 GLY H . 19904 1 1297 . 1 1 112 112 GLY HA3 H 1 4.141 0.005 . 1 . . . A 375 GLY HA3 . 19904 1 1298 . 1 1 112 112 GLY C C 13 169.091 0.020 . 1 . . . A 375 GLY C . 19904 1 1299 . 1 1 112 112 GLY CA C 13 43.820 0.020 . 1 . . . A 375 GLY CA . 19904 1 1300 . 1 1 112 112 GLY N N 15 103.523 0.030 . 1 . . . A 375 GLY N . 19904 1 1301 . 1 1 113 113 VAL H H 1 8.870 0.001 . 1 . . . A 376 VAL H . 19904 1 1302 . 1 1 113 113 VAL HA H 1 4.636 0.005 . 1 . . . A 376 VAL HA . 19904 1 1303 . 1 1 113 113 VAL HB H 1 1.925 0.005 . 1 . . . A 376 VAL HB . 19904 1 1304 . 1 1 113 113 VAL HG11 H 1 0.680 0.005 . 2 . . . A 376 VAL HG11 . 19904 1 1305 . 1 1 113 113 VAL HG12 H 1 0.680 0.005 . 2 . . . A 376 VAL HG12 . 19904 1 1306 . 1 1 113 113 VAL HG13 H 1 0.680 0.005 . 2 . . . A 376 VAL HG13 . 19904 1 1307 . 1 1 113 113 VAL HG21 H 1 0.806 0.005 . 2 . . . A 376 VAL HG21 . 19904 1 1308 . 1 1 113 113 VAL HG22 H 1 0.806 0.005 . 2 . . . A 376 VAL HG22 . 19904 1 1309 . 1 1 113 113 VAL HG23 H 1 0.806 0.005 . 2 . . . A 376 VAL HG23 . 19904 1 1310 . 1 1 113 113 VAL C C 13 173.966 0.020 . 1 . . . A 376 VAL C . 19904 1 1311 . 1 1 113 113 VAL CA C 13 61.125 0.020 . 1 . . . A 376 VAL CA . 19904 1 1312 . 1 1 113 113 VAL CB C 13 32.510 0.020 . 1 . . . A 376 VAL CB . 19904 1 1313 . 1 1 113 113 VAL CG1 C 13 21.926 0.020 . 2 . . . A 376 VAL CG1 . 19904 1 1314 . 1 1 113 113 VAL CG2 C 13 22.889 0.020 . 2 . . . A 376 VAL CG2 . 19904 1 1315 . 1 1 113 113 VAL N N 15 121.766 0.030 . 1 . . . A 376 VAL N . 19904 1 1316 . 1 1 114 114 HIS H H 1 9.850 0.004 . 1 . . . A 377 HIS H . 19904 1 1317 . 1 1 114 114 HIS HA H 1 5.669 0.004 . 1 . . . A 377 HIS HA . 19904 1 1318 . 1 1 114 114 HIS HB2 H 1 2.857 0.004 . 2 . . . A 377 HIS HB2 . 19904 1 1319 . 1 1 114 114 HIS HB3 H 1 2.989 0.004 . 2 . . . A 377 HIS HB3 . 19904 1 1320 . 1 1 114 114 HIS HD2 H 1 7.251 0.001 . 1 . . . A 377 HIS HD2 . 19904 1 1321 . 1 1 114 114 HIS HE1 H 1 7.427 0.005 . 1 . . . A 377 HIS HE1 . 19904 1 1322 . 1 1 114 114 HIS C C 13 176.974 0.020 . 1 . . . A 377 HIS C . 19904 1 1323 . 1 1 114 114 HIS CA C 13 53.960 0.020 . 1 . . . A 377 HIS CA . 19904 1 1324 . 1 1 114 114 HIS CB C 13 30.978 0.020 . 1 . . . A 377 HIS CB . 19904 1 1325 . 1 1 114 114 HIS N N 15 125.383 0.030 . 1 . . . A 377 HIS N . 19904 1 1326 . 1 1 115 115 LEU H H 1 8.459 0.002 . 1 . . . A 378 LEU H . 19904 1 1327 . 1 1 115 115 LEU HA H 1 4.330 0.001 . 1 . . . A 378 LEU HA . 19904 1 1328 . 1 1 115 115 LEU HB2 H 1 1.059 0.005 . 2 . . . A 378 LEU HB2 . 19904 1 1329 . 1 1 115 115 LEU HB3 H 1 1.650 0.005 . 2 . . . A 378 LEU HB3 . 19904 1 1330 . 1 1 115 115 LEU HG H 1 1.365 0.005 . 1 . . . A 378 LEU HG . 19904 1 1331 . 1 1 115 115 LEU HD11 H 1 0.742 0.005 . 2 . . . A 378 LEU HD11 . 19904 1 1332 . 1 1 115 115 LEU HD12 H 1 0.742 0.005 . 2 . . . A 378 LEU HD12 . 19904 1 1333 . 1 1 115 115 LEU HD13 H 1 0.742 0.005 . 2 . . . A 378 LEU HD13 . 19904 1 1334 . 1 1 115 115 LEU HD21 H 1 0.696 0.005 . 2 . . . A 378 LEU HD21 . 19904 1 1335 . 1 1 115 115 LEU HD22 H 1 0.696 0.005 . 2 . . . A 378 LEU HD22 . 19904 1 1336 . 1 1 115 115 LEU HD23 H 1 0.696 0.005 . 2 . . . A 378 LEU HD23 . 19904 1 1337 . 1 1 115 115 LEU C C 13 175.229 0.020 . 1 . . . A 378 LEU C . 19904 1 1338 . 1 1 115 115 LEU CA C 13 54.545 0.020 . 1 . . . A 378 LEU CA . 19904 1 1339 . 1 1 115 115 LEU CB C 13 43.651 0.020 . 1 . . . A 378 LEU CB . 19904 1 1340 . 1 1 115 115 LEU CG C 13 26.248 0.020 . 1 . . . A 378 LEU CG . 19904 1 1341 . 1 1 115 115 LEU CD1 C 13 23.079 0.020 . 2 . . . A 378 LEU CD1 . 19904 1 1342 . 1 1 115 115 LEU CD2 C 13 24.937 0.020 . 2 . . . A 378 LEU CD2 . 19904 1 1343 . 1 1 115 115 LEU N N 15 117.609 0.030 . 1 . . . A 378 LEU N . 19904 1 1344 . 1 1 116 116 ILE H H 1 8.597 0.002 . 1 . . . A 379 ILE H . 19904 1 1345 . 1 1 116 116 ILE HA H 1 4.391 0.005 . 1 . . . A 379 ILE HA . 19904 1 1346 . 1 1 116 116 ILE HB H 1 0.952 0.005 . 1 . . . A 379 ILE HB . 19904 1 1347 . 1 1 116 116 ILE HG12 H 1 1.180 0.005 . 2 . . . A 379 ILE HG12 . 19904 1 1348 . 1 1 116 116 ILE HG13 H 1 0.330 0.005 . 2 . . . A 379 ILE HG13 . 19904 1 1349 . 1 1 116 116 ILE HG21 H 1 0.150 0.005 . 1 . . . A 379 ILE HG21 . 19904 1 1350 . 1 1 116 116 ILE HG22 H 1 0.150 0.005 . 1 . . . A 379 ILE HG22 . 19904 1 1351 . 1 1 116 116 ILE HG23 H 1 0.150 0.005 . 1 . . . A 379 ILE HG23 . 19904 1 1352 . 1 1 116 116 ILE HD11 H 1 -0.350 0.005 . 1 . . . A 379 ILE HD11 . 19904 1 1353 . 1 1 116 116 ILE HD12 H 1 -0.350 0.005 . 1 . . . A 379 ILE HD12 . 19904 1 1354 . 1 1 116 116 ILE HD13 H 1 -0.350 0.005 . 1 . . . A 379 ILE HD13 . 19904 1 1355 . 1 1 116 116 ILE C C 13 171.978 0.020 . 1 . . . A 379 ILE C . 19904 1 1356 . 1 1 116 116 ILE CA C 13 60.408 0.020 . 1 . . . A 379 ILE CA . 19904 1 1357 . 1 1 116 116 ILE CB C 13 40.360 0.020 . 1 . . . A 379 ILE CB . 19904 1 1358 . 1 1 116 116 ILE CG1 C 13 18.014 0.020 . 1 . . . A 379 ILE CG1 . 19904 1 1359 . 1 1 116 116 ILE CG2 C 13 14.259 0.020 . 1 . . . A 379 ILE CG2 . 19904 1 1360 . 1 1 116 116 ILE CD1 C 13 27.504 0.020 . 1 . . . A 379 ILE CD1 . 19904 1 1361 . 1 1 116 116 ILE N N 15 124.233 0.030 . 1 . . . A 379 ILE N . 19904 1 1362 . 1 1 117 117 TYR H H 1 8.646 0.001 . 1 . . . A 380 TYR H . 19904 1 1363 . 1 1 117 117 TYR HA H 1 5.020 0.001 . 1 . . . A 380 TYR HA . 19904 1 1364 . 1 1 117 117 TYR HB2 H 1 1.408 0.005 . 2 . . . A 380 TYR HB2 . 19904 1 1365 . 1 1 117 117 TYR HB3 H 1 0.635 0.005 . 2 . . . A 380 TYR HB3 . 19904 1 1366 . 1 1 117 117 TYR HD1 H 1 6.395 0.002 . 3 . . . A 380 TYR HD1 . 19904 1 1367 . 1 1 117 117 TYR HD2 H 1 6.395 0.002 . 3 . . . A 380 TYR HD2 . 19904 1 1368 . 1 1 117 117 TYR HE1 H 1 6.072 0.001 . 3 . . . A 380 TYR HE1 . 19904 1 1369 . 1 1 117 117 TYR HE2 H 1 6.072 0.001 . 3 . . . A 380 TYR HE2 . 19904 1 1370 . 1 1 117 117 TYR C C 13 174.365 0.020 . 1 . . . A 380 TYR C . 19904 1 1371 . 1 1 117 117 TYR CA C 13 54.073 0.020 . 1 . . . A 380 TYR CA . 19904 1 1372 . 1 1 117 117 TYR CB C 13 40.842 0.020 . 1 . . . A 380 TYR CB . 19904 1 1373 . 1 1 117 117 TYR N N 15 126.661 0.030 . 1 . . . A 380 TYR N . 19904 1 1374 . 1 1 118 118 ARG H H 1 7.162 0.002 . 1 . . . A 381 ARG H . 19904 1 1375 . 1 1 118 118 ARG HA H 1 4.686 0.005 . 1 . . . A 381 ARG HA . 19904 1 1376 . 1 1 118 118 ARG HB2 H 1 1.338 0.005 . 2 . . . A 381 ARG HB2 . 19904 1 1377 . 1 1 118 118 ARG HB3 H 1 1.845 0.005 . 2 . . . A 381 ARG HB3 . 19904 1 1378 . 1 1 118 118 ARG HG2 H 1 1.619 0.005 . 2 . . . A 381 ARG HG2 . 19904 1 1379 . 1 1 118 118 ARG HG3 H 1 1.643 0.005 . 2 . . . A 381 ARG HG3 . 19904 1 1380 . 1 1 118 118 ARG HD2 H 1 3.116 0.005 . 2 . . . A 381 ARG HD2 . 19904 1 1381 . 1 1 118 118 ARG HD3 H 1 3.261 0.005 . 2 . . . A 381 ARG HD3 . 19904 1 1382 . 1 1 118 118 ARG C C 13 173.498 0.020 . 1 . . . A 381 ARG C . 19904 1 1383 . 1 1 118 118 ARG CA C 13 54.269 0.020 . 1 . . . A 381 ARG CA . 19904 1 1384 . 1 1 118 118 ARG CB C 13 30.628 0.020 . 1 . . . A 381 ARG CB . 19904 1 1385 . 1 1 118 118 ARG CG C 13 28.662 0.020 . 1 . . . A 381 ARG CG . 19904 1 1386 . 1 1 118 118 ARG CD C 13 43.099 0.020 . 1 . . . A 381 ARG CD . 19904 1 1387 . 1 1 118 118 ARG N N 15 126.514 0.030 . 1 . . . A 381 ARG N . 19904 1 1388 . 1 1 119 119 VAL H H 1 7.418 0.006 . 1 . . . A 382 VAL H . 19904 1 1389 . 1 1 119 119 VAL HA H 1 3.446 0.005 . 1 . . . A 382 VAL HA . 19904 1 1390 . 1 1 119 119 VAL HB H 1 1.447 0.005 . 1 . . . A 382 VAL HB . 19904 1 1391 . 1 1 119 119 VAL HG11 H 1 0.570 0.005 . 2 . . . A 382 VAL HG11 . 19904 1 1392 . 1 1 119 119 VAL HG12 H 1 0.570 0.005 . 2 . . . A 382 VAL HG12 . 19904 1 1393 . 1 1 119 119 VAL HG13 H 1 0.570 0.005 . 2 . . . A 382 VAL HG13 . 19904 1 1394 . 1 1 119 119 VAL HG21 H 1 0.538 0.005 . 2 . . . A 382 VAL HG21 . 19904 1 1395 . 1 1 119 119 VAL HG22 H 1 0.538 0.005 . 2 . . . A 382 VAL HG22 . 19904 1 1396 . 1 1 119 119 VAL HG23 H 1 0.538 0.005 . 2 . . . A 382 VAL HG23 . 19904 1 1397 . 1 1 119 119 VAL C C 13 174.026 0.020 . 1 . . . A 382 VAL C . 19904 1 1398 . 1 1 119 119 VAL CA C 13 62.315 0.020 . 1 . . . A 382 VAL CA . 19904 1 1399 . 1 1 119 119 VAL CB C 13 32.676 0.020 . 1 . . . A 382 VAL CB . 19904 1 1400 . 1 1 119 119 VAL CG1 C 13 22.336 0.020 . 2 . . . A 382 VAL CG1 . 19904 1 1401 . 1 1 119 119 VAL CG2 C 13 20.193 0.020 . 2 . . . A 382 VAL CG2 . 19904 1 1402 . 1 1 119 119 VAL N N 15 124.856 0.030 . 1 . . . A 382 VAL N . 19904 1 1403 . 1 1 120 120 GLU H H 1 7.425 0.001 . 1 . . . A 383 GLU H . 19904 1 1404 . 1 1 120 120 GLU HA H 1 4.071 0.005 . 1 . . . A 383 GLU HA . 19904 1 1405 . 1 1 120 120 GLU HB2 H 1 1.948 0.005 . 2 . . . A 383 GLU HB2 . 19904 1 1406 . 1 1 120 120 GLU HB3 H 1 1.924 0.005 . 2 . . . A 383 GLU HB3 . 19904 1 1407 . 1 1 120 120 GLU HG2 H 1 2.141 0.005 . 2 . . . A 383 GLU HG2 . 19904 1 1408 . 1 1 120 120 GLU HG3 H 1 2.147 0.005 . 2 . . . A 383 GLU HG3 . 19904 1 1409 . 1 1 120 120 GLU C C 13 180.484 0.020 . 1 . . . A 383 GLU C . 19904 1 1410 . 1 1 120 120 GLU CA C 13 57.399 0.020 . 1 . . . A 383 GLU CA . 19904 1 1411 . 1 1 120 120 GLU CB C 13 30.774 0.020 . 1 . . . A 383 GLU CB . 19904 1 1412 . 1 1 120 120 GLU CG C 13 36.109 0.020 . 1 . . . A 383 GLU CG . 19904 1 1413 . 1 1 120 120 GLU N N 15 122.841 0.030 . 1 . . . A 383 GLU N . 19904 1 stop_ save_