data_16909 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16909 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for IRTKS-SH3 and EspFu-R47 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-30 _Entry.Accession_date 2010-04-30 _Entry.Last_release_date 2012-01-04 _Entry.Original_release_date 2012-01-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 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 Olli Aitio N. . . 16909 2 Maarit Hellman . . . 16909 3 Arunas Kazlauskas . . . 16909 4 Didier Vingadassalom . . . 16909 5 John Leong . M. . 16909 6 Kalle Saksela . . . 16909 7 Perttu Permi . . . 16909 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' . 16909 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Complex Structure' . 16909 EspFu . 16909 IRTKS-SH3 . 16909 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16909 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 16909 '15N chemical shifts' 71 16909 '1H chemical shifts' 568 16909 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-01-04 2010-04-30 original author . 16909 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KXC 'BMRB Entry Tracking System' 16909 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16909 _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 'Recognition of tandem PxxP motifs as a unique Src homology 3-binding mode triggers pathogen-driven actin assembly' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 107 _Citation.Journal_issue 50 _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 21743 _Citation.Page_last 21748 _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 Olli Aitio . . . 16909 1 2 Maarit Hellman . . . 16909 1 3 Arunas Kazlauskas . . . 16909 1 4 Didier Vingadassalom . . . 16909 1 5 John Leong . M. . 16909 1 6 Kalle Saksela . . . 16909 1 7 Perttu Permi . . . 16909 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16909 _Assembly.ID 1 _Assembly.Name 'IRTKS-SH3 and EspFu-R47 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 IRTKS-SH3 1 $IRTKS-SH3 A . yes native no no . . . 16909 1 2 EspFu-R47 2 $EspFu-R47 B . yes native no no . . . 16909 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IRTKS-SH3 _Entity.Sf_category entity _Entity.Sf_framecode IRTKS-SH3 _Entity.Entry_ID 16909 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IRTKS-SH3 _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 ; GSHMKKQKVKTIFPHTAGSN KTLLSFAQGDVITLLIPEEK DGWLYGEHDVSKARGWFPSS YTKLLEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'First four residues are cloning artefacts. Primary sequence is numbered according to native sequence (340-402)' _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7559.687 _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 2KXC . "1h, 13c, And 15n Chemical Shift Assignments For Irtks-Sh3 And Espfu- R47 Complex" . . . . . 100.00 67 100.00 100.00 1.33e-40 . . . . 16909 1 2 no PDB 2LNH . "Enterohaemorrhagic E. Coli (Ehec) Exploits A Tryptophan Switch To Hijack Host F-Actin Assembly" . . . . . 100.00 67 100.00 100.00 1.33e-40 . . . . 16909 1 3 no DBJ BAB15671 . "unnamed protein product [Homo sapiens]" . . . . . 95.52 174 100.00 100.00 1.20e-38 . . . . 16909 1 4 no GB AAD20937 . "similar to insulin receptor substrate BAP2; similar to PID:g4126477 [Homo sapiens]" . . . . . 95.52 414 100.00 100.00 1.68e-36 . . . . 16909 1 5 no GB AAF17223 . "insulin receptor tyrosine kinase substrate [Homo sapiens]" . . . . . 95.52 511 100.00 100.00 1.87e-36 . . . . 16909 1 6 no GB AAH13888 . "BAI1-associated protein 2-like 1 [Homo sapiens]" . . . . . 95.52 511 100.00 100.00 1.87e-36 . . . . 16909 1 7 no GB ACE87078 . "BAI1-associated protein 2-like 1 protein [synthetic construct]" . . . . . 95.52 511 100.00 100.00 1.87e-36 . . . . 16909 1 8 no GB ACE87758 . "BAI1-associated protein 2-like 1 protein [synthetic construct]" . . . . . 95.52 511 100.00 100.00 1.87e-36 . . . . 16909 1 9 no REF NP_061330 . "brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1 [Homo sapiens]" . . . . . 95.52 511 100.00 100.00 1.87e-36 . . . . 16909 1 10 no REF XP_001110709 . "PREDICTED: brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1-like [Macaca mulatta]" . . . . . 95.52 461 98.44 100.00 3.78e-36 . . . . 16909 1 11 no REF XP_002817749 . "PREDICTED: brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1 [Pongo abelii]" . . . . . 95.52 414 100.00 100.00 1.77e-36 . . . . 16909 1 12 no REF XP_003278101 . "PREDICTED: brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1 [Nomascus leucogenys]" . . . . . 95.52 513 98.44 100.00 4.38e-36 . . . . 16909 1 13 no REF XP_003895772 . "PREDICTED: brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1 isoform X2 [Papio anubis]" . . . . . 95.52 492 98.44 100.00 5.48e-36 . . . . 16909 1 14 no SP Q9UHR4 . "RecName: Full=Brain-specific angiogenesis inhibitor 1-associated protein 2-like protein 1; Short=BAI1-associated protein 2-like" . . . . . 95.52 511 100.00 100.00 1.87e-36 . . . . 16909 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 1 336 GLY . 16909 1 2 337 SER . 16909 1 3 338 HIS . 16909 1 4 339 MET . 16909 1 5 340 LYS . 16909 1 6 341 LYS . 16909 1 7 342 GLN . 16909 1 8 343 LYS . 16909 1 9 344 VAL . 16909 1 10 345 LYS . 16909 1 11 346 THR . 16909 1 12 347 ILE . 16909 1 13 348 PHE . 16909 1 14 349 PRO . 16909 1 15 350 HIS . 16909 1 16 351 THR . 16909 1 17 352 ALA . 16909 1 18 353 GLY . 16909 1 19 354 SER . 16909 1 20 355 ASN . 16909 1 21 356 LYS . 16909 1 22 357 THR . 16909 1 23 358 LEU . 16909 1 24 359 LEU . 16909 1 25 360 SER . 16909 1 26 361 PHE . 16909 1 27 362 ALA . 16909 1 28 363 GLN . 16909 1 29 364 GLY . 16909 1 30 365 ASP . 16909 1 31 366 VAL . 16909 1 32 367 ILE . 16909 1 33 368 THR . 16909 1 34 369 LEU . 16909 1 35 370 LEU . 16909 1 36 371 ILE . 16909 1 37 372 PRO . 16909 1 38 373 GLU . 16909 1 39 374 GLU . 16909 1 40 375 LYS . 16909 1 41 376 ASP . 16909 1 42 377 GLY . 16909 1 43 378 TRP . 16909 1 44 379 LEU . 16909 1 45 380 TYR . 16909 1 46 381 GLY . 16909 1 47 382 GLU . 16909 1 48 383 HIS . 16909 1 49 384 ASP . 16909 1 50 385 VAL . 16909 1 51 386 SER . 16909 1 52 387 LYS . 16909 1 53 388 ALA . 16909 1 54 389 ARG . 16909 1 55 390 GLY . 16909 1 56 391 TRP . 16909 1 57 392 PHE . 16909 1 58 393 PRO . 16909 1 59 394 SER . 16909 1 60 395 SER . 16909 1 61 396 TYR . 16909 1 62 397 THR . 16909 1 63 398 LYS . 16909 1 64 399 LEU . 16909 1 65 400 LEU . 16909 1 66 401 GLU . 16909 1 67 402 GLU . 16909 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16909 1 . SER 2 2 16909 1 . HIS 3 3 16909 1 . MET 4 4 16909 1 . LYS 5 5 16909 1 . LYS 6 6 16909 1 . GLN 7 7 16909 1 . LYS 8 8 16909 1 . VAL 9 9 16909 1 . LYS 10 10 16909 1 . THR 11 11 16909 1 . ILE 12 12 16909 1 . PHE 13 13 16909 1 . PRO 14 14 16909 1 . HIS 15 15 16909 1 . THR 16 16 16909 1 . ALA 17 17 16909 1 . GLY 18 18 16909 1 . SER 19 19 16909 1 . ASN 20 20 16909 1 . LYS 21 21 16909 1 . THR 22 22 16909 1 . LEU 23 23 16909 1 . LEU 24 24 16909 1 . SER 25 25 16909 1 . PHE 26 26 16909 1 . ALA 27 27 16909 1 . GLN 28 28 16909 1 . GLY 29 29 16909 1 . ASP 30 30 16909 1 . VAL 31 31 16909 1 . ILE 32 32 16909 1 . THR 33 33 16909 1 . LEU 34 34 16909 1 . LEU 35 35 16909 1 . ILE 36 36 16909 1 . PRO 37 37 16909 1 . GLU 38 38 16909 1 . GLU 39 39 16909 1 . LYS 40 40 16909 1 . ASP 41 41 16909 1 . GLY 42 42 16909 1 . TRP 43 43 16909 1 . LEU 44 44 16909 1 . TYR 45 45 16909 1 . GLY 46 46 16909 1 . GLU 47 47 16909 1 . HIS 48 48 16909 1 . ASP 49 49 16909 1 . VAL 50 50 16909 1 . SER 51 51 16909 1 . LYS 52 52 16909 1 . ALA 53 53 16909 1 . ARG 54 54 16909 1 . GLY 55 55 16909 1 . TRP 56 56 16909 1 . PHE 57 57 16909 1 . PRO 58 58 16909 1 . SER 59 59 16909 1 . SER 60 60 16909 1 . TYR 61 61 16909 1 . THR 62 62 16909 1 . LYS 63 63 16909 1 . LEU 64 64 16909 1 . LEU 65 65 16909 1 . GLU 66 66 16909 1 . GLU 67 67 16909 1 stop_ save_ save_EspFu-R47 _Entity.Sf_category entity _Entity.Sf_framecode EspFu-R47 _Entity.Entry_ID 16909 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name EspFu-R47 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code HIPPAPNWPAPTPPVQN _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 526-542 corresponding to residues 293-309 of native protein' _Entity.Polymer_author_seq_details 'Primary sequence of structural part of EspFu-R47' _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 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1834.082 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18165 . entity_3 . . . . . 100.00 48 100.00 100.00 9.10e-02 . . . . 16909 2 2 no PDB 2KXC . "1h, 13c, And 15n Chemical Shift Assignments For Irtks-Sh3 And Espfu- R47 Complex" . . . . . 100.00 48 100.00 100.00 9.10e-02 . . . . 16909 2 3 no PDB 2LNH . "Enterohaemorrhagic E. Coli (Ehec) Exploits A Tryptophan Switch To Hijack Host F-Actin Assembly" . . . . . 100.00 48 100.00 100.00 9.10e-02 . . . . 16909 2 4 no DBJ BAF45438 . "type III secreted effector protein [Escherichia coli O157:H-]" . . . . . 100.00 250 100.00 100.00 2.52e-01 . . . . 16909 2 5 no DBJ BAF45439 . "type III secreted effector protein [Escherichia coli O157:H-]" . . . . . 100.00 250 100.00 100.00 2.52e-01 . . . . 16909 2 6 no DBJ BAF45441 . "type III secreted effector protein [Escherichia coli O157:H-]" . . . . . 100.00 250 100.00 100.00 2.52e-01 . . . . 16909 2 7 no DBJ BAF45442 . "type III secreted effector protein [Escherichia coli O157:H-]" . . . . . 100.00 250 100.00 100.00 2.52e-01 . . . . 16909 2 8 no DBJ BAF45459 . "type III secreted effector protein [Escherichia coli O103:H2]" . . . . . 100.00 297 100.00 100.00 3.46e-01 . . . . 16909 2 9 no GB AHG07829 . "T3SS secreted effector TccP [Escherichia coli O145:H28 str. RM13514]" . . . . . 100.00 297 100.00 100.00 3.49e-01 . . . . 16909 2 10 no GB AHY69651 . "T3SS secreted effector TccP [Escherichia coli O145:H28 str. RM12581]" . . . . . 100.00 297 100.00 100.00 3.49e-01 . . . . 16909 2 11 no GB EDV87064 . "tir-cytoskeleton coupling protein [Escherichia coli E110019]" . . . . . 100.00 208 100.00 100.00 4.96e-01 . . . . 16909 2 12 no GB EDX28433 . "tir-cytoskeleton coupling protein [Escherichia coli B171]" . . . . . 100.00 189 100.00 100.00 5.11e-01 . . . . 16909 2 13 no GB EFX10947 . "T3SS secreted effector TccP2-like protein [Escherichia coli O157:H7 str. G5101]" . . . . . 100.00 89 100.00 100.00 1.18e-01 . . . . 16909 2 14 no REF WP_000296048 . "hypothetical protein, partial [Escherichia coli]" . . . . . 100.00 89 100.00 100.00 1.18e-01 . . . . 16909 2 15 no REF WP_000302831 . "EspF-like protein, partial [Escherichia coli]" . . . . . 100.00 124 100.00 100.00 1.08e-01 . . . . 16909 2 16 no REF WP_000319298 . "hypothetical protein, partial [Escherichia coli]" . . . . . 100.00 74 100.00 100.00 5.10e-02 . . . . 16909 2 17 no REF WP_000341617 . "hypothetical protein, partial [Escherichia coli]" . . . . . 100.00 46 100.00 100.00 7.14e-02 . . . . 16909 2 18 no REF WP_000807607 . "secretion protein EspF [Escherichia coli]" . . . . . 100.00 189 100.00 100.00 5.11e-01 . . . . 16909 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 526 HIS . 16909 2 2 527 ILE . 16909 2 3 528 PRO . 16909 2 4 529 PRO . 16909 2 5 530 ALA . 16909 2 6 531 PRO . 16909 2 7 532 ASN . 16909 2 8 533 TRP . 16909 2 9 534 PRO . 16909 2 10 535 ALA . 16909 2 11 536 PRO . 16909 2 12 537 THR . 16909 2 13 538 PRO . 16909 2 14 539 PRO . 16909 2 15 540 VAL . 16909 2 16 541 GLN . 16909 2 17 542 ASN . 16909 2 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 . HIS 1 1 16909 2 . ILE 2 2 16909 2 . PRO 3 3 16909 2 . PRO 4 4 16909 2 . ALA 5 5 16909 2 . PRO 6 6 16909 2 . ASN 7 7 16909 2 . TRP 8 8 16909 2 . PRO 9 9 16909 2 . ALA 10 10 16909 2 . PRO 11 11 16909 2 . THR 12 12 16909 2 . PRO 13 13 16909 2 . PRO 14 14 16909 2 . VAL 15 15 16909 2 . GLN 16 16 16909 2 . ASN 17 17 16909 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16909 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IRTKS-SH3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16909 1 2 2 $EspFu-R47 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli EHEC . . . . . . . . . . . . . . . . . . . . 16909 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 16909 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IRTKS-SH3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 16909 1 2 2 $EspFu-R47 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 16909 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16909 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 IRTKS-SH3 '[U-98% 13C; U-98% 15N]' . . 1 $IRTKS-SH3 . . 0.48 . . mM . . . . 16909 1 2 EspFu-R47 'natural abundance' . . 2 $EspFu-R47 . . 0.48 . . mM . . . . 16909 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16909 1 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16909 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16909 1 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16909 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16909 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 EspFu-R47 '[U-98% 13C; U-98% 15N]' . . 2 $EspFu-R47 . . 0.9 . . mM . . . . 16909 2 2 IRTKS-SH3 'natural abundance' . . 1 $IRTKS-SH3 . . 0.9 . . mM . . . . 16909 2 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16909 2 4 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16909 2 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16909 2 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16909 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16909 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 16909 1 pH 7.0 . pH 16909 1 pressure 1 . atm 16909 1 temperature 298 . K 16909 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16909 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16909 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16909 1 stop_ save_ save_CYANA_2.1 _Software.Sf_category software _Software.Sf_framecode CYANA_2.1 _Software.Entry_ID 16909 _Software.ID 2 _Software.Name CYANA_2.1 _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16909 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16909 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16909 _Software.ID 3 _Software.Name AMBER _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16909 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16909 3 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 16909 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16909 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16909 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 16909 1 2 spectrometer_2 Varian INOVA . 600 . . . 16909 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 16909 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16909 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16909 1 3 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16909 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16909 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16909 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16909 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 11 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 12 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 14 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 16 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 17 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 18 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 19 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 1 20 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16909 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 16909 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; We have used the water signal to locate the midpoint of the 1H axis, and then have given it a reference value where the temperature and the pH have been taken into account. In this case the value is 4.783 ppm. For the 13C axis, we then calculated the position of the transmitter using the DSS indirect shift ratio and ended up with this value of 175.571 ppm, in the carbonyl carbon region of the protein 13C spectrum. The midpoint of the aliphatic 13C spectrum is at 118 or 128 ppms from this value, depending on the spectrum. For the 15N axis, we calculated the midpoint of the 15N spectrum from the 1H midpoint using the indirect shift ratio of liquid ammonia, 0.101329118. ; 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 'methylene protons' . . . . ppm 0 na indirect 0.25144953 . . . . . . . . . 16909 1 H 1 water protons . . . . ppm 4.783 internal direct 1.0 . . . . . . . . . 16909 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na direct 1.0 . . . . . . . . . 16909 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16909 _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 '3D 1H-15N NOESY' . . . 16909 1 2 '3D 1H-13C NOESY' . . . 16909 1 3 '3D HCCH-COSY' . . . 16909 1 4 '3D 1H-15N NOESY' . . . 16909 1 5 '3D 1H-13C NOESY' . . . 16909 1 6 '3D HCCH-COSY' . . . 16909 1 7 '2D 1H-15N HSQC' . . . 16909 1 8 '2D 1H-15N HSQC' . . . 16909 1 9 '2D 1H-13C HSQC' . . . 16909 1 10 '2D 1H-13C HSQC' . . . 16909 1 11 '3D HNCACB' . . . 16909 1 12 '3D HNCACB' . . . 16909 1 13 '3D CBCA(CO)NH' . . . 16909 1 14 '3D CBCA(CO)NH' . . . 16909 1 15 '3D HBHA(CO)NH' . . . 16909 1 16 '3D HBHA(CO)NH' . . . 16909 1 17 '3D C(CO)NH' . . . 16909 1 18 '3D C(CO)NH' . . . 16909 1 19 '3D H(CCO)NH' . . . 16909 1 20 '3D H(CCO)NH' . . . 16909 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 GLY HA2 H 1 3.817 0.020 . 2 . . . . 336 GLY HA2 . 16909 1 2 . 1 1 1 1 GLY HA3 H 1 3.817 0.020 . 2 . . . . 336 GLY HA3 . 16909 1 3 . 1 1 1 1 GLY CA C 13 45.226 0.400 . 1 . . . . 336 GLY CA . 16909 1 4 . 1 1 2 2 SER HA H 1 4.516 0.020 . 1 . . . . 337 SER HA . 16909 1 5 . 1 1 2 2 SER HB2 H 1 3.834 0.020 . 2 . . . . 337 SER HB2 . 16909 1 6 . 1 1 2 2 SER HB3 H 1 3.834 0.020 . 2 . . . . 337 SER HB3 . 16909 1 7 . 1 1 2 2 SER CA C 13 59.487 0.400 . 1 . . . . 337 SER CA . 16909 1 8 . 1 1 2 2 SER CB C 13 65.184 0.400 . 1 . . . . 337 SER CB . 16909 1 9 . 1 1 3 3 HIS HA H 1 4.623 0.020 . 1 . . . . 338 HIS HA . 16909 1 10 . 1 1 3 3 HIS HB2 H 1 3.117 0.020 . 2 . . . . 338 HIS HB2 . 16909 1 11 . 1 1 3 3 HIS HB3 H 1 3.062 0.020 . 2 . . . . 338 HIS HB3 . 16909 1 12 . 1 1 3 3 HIS HD2 H 1 6.984 0.020 . 1 . . . . 338 HIS HD2 . 16909 1 13 . 1 1 3 3 HIS HE1 H 1 7.828 0.020 . 1 . . . . 338 HIS HE1 . 16909 1 14 . 1 1 3 3 HIS CA C 13 57.760 0.400 . 1 . . . . 338 HIS CA . 16909 1 15 . 1 1 3 3 HIS CB C 13 32.217 0.400 . 1 . . . . 338 HIS CB . 16909 1 16 . 1 1 3 3 HIS CD2 C 13 120.872 0.400 . 1 . . . . 338 HIS CD2 . 16909 1 17 . 1 1 3 3 HIS CE1 C 13 139.718 0.400 . 1 . . . . 338 HIS CE1 . 16909 1 18 . 1 1 4 4 MET HA H 1 4.461 0.020 . 1 . . . . 339 MET HA . 16909 1 19 . 1 1 4 4 MET HB2 H 1 2.042 0.020 . 2 . . . . 339 MET HB2 . 16909 1 20 . 1 1 4 4 MET HB3 H 1 1.908 0.020 . 2 . . . . 339 MET HB3 . 16909 1 21 . 1 1 4 4 MET HE1 H 1 2.055 0.020 . 1 . . . . 339 MET HE . 16909 1 22 . 1 1 4 4 MET HE2 H 1 2.055 0.020 . 1 . . . . 339 MET HE . 16909 1 23 . 1 1 4 4 MET HE3 H 1 2.055 0.020 . 1 . . . . 339 MET HE . 16909 1 24 . 1 1 4 4 MET HG2 H 1 2.442 0.020 . 2 . . . . 339 MET HG2 . 16909 1 25 . 1 1 4 4 MET HG3 H 1 2.349 0.020 . 2 . . . . 339 MET HG3 . 16909 1 26 . 1 1 4 4 MET CA C 13 56.564 0.400 . 1 . . . . 339 MET CA . 16909 1 27 . 1 1 4 4 MET CE C 13 18.291 0.400 . 1 . . . . 339 MET CE . 16909 1 28 . 1 1 4 4 MET CG C 13 33.377 0.400 . 1 . . . . 339 MET CG . 16909 1 29 . 1 1 5 5 LYS HA H 1 4.621 0.020 . 1 . . . . 340 LYS HA . 16909 1 30 . 1 1 5 5 LYS CA C 13 57.819 0.400 . 1 . . . . 340 LYS CA . 16909 1 31 . 1 1 5 5 LYS CB C 13 32.208 0.400 . 1 . . . . 340 LYS CB . 16909 1 32 . 1 1 6 6 LYS H H 1 8.252 0.020 . 1 . . . . 341 LYS H . 16909 1 33 . 1 1 6 6 LYS HA H 1 4.439 0.020 . 1 . . . . 341 LYS HA . 16909 1 34 . 1 1 6 6 LYS HB2 H 1 2.045 0.020 . 2 . . . . 341 LYS HB2 . 16909 1 35 . 1 1 6 6 LYS HB3 H 1 2.058 0.020 . 2 . . . . 341 LYS HB3 . 16909 1 36 . 1 1 6 6 LYS CA C 13 56.555 0.400 . 1 . . . . 341 LYS CA . 16909 1 37 . 1 1 6 6 LYS CB C 13 33.956 0.400 . 1 . . . . 341 LYS CB . 16909 1 38 . 1 1 6 6 LYS N N 15 121.310 0.400 . 1 . . . . 341 LYS N . 16909 1 39 . 1 1 7 7 GLN H H 1 8.748 0.020 . 1 . . . . 342 GLN H . 16909 1 40 . 1 1 7 7 GLN HA H 1 4.379 0.020 . 1 . . . . 342 GLN HA . 16909 1 41 . 1 1 7 7 GLN HB2 H 1 2.061 0.020 . 2 . . . . 342 GLN HB2 . 16909 1 42 . 1 1 7 7 GLN HB3 H 1 2.061 0.020 . 2 . . . . 342 GLN HB3 . 16909 1 43 . 1 1 7 7 GLN HE21 H 1 7.831 0.020 . 2 . . . . 342 GLN HE21 . 16909 1 44 . 1 1 7 7 GLN HE22 H 1 6.989 0.020 . 2 . . . . 342 GLN HE22 . 16909 1 45 . 1 1 7 7 GLN HG2 H 1 2.337 0.020 . 2 . . . . 342 GLN HG2 . 16909 1 46 . 1 1 7 7 GLN HG3 H 1 2.299 0.020 . 2 . . . . 342 GLN HG3 . 16909 1 47 . 1 1 7 7 GLN CA C 13 57.093 0.400 . 1 . . . . 342 GLN CA . 16909 1 48 . 1 1 7 7 GLN CB C 13 32.298 0.400 . 1 . . . . 342 GLN CB . 16909 1 49 . 1 1 7 7 GLN CG C 13 35.747 0.400 . 1 . . . . 342 GLN CG . 16909 1 50 . 1 1 7 7 GLN N N 15 122.113 0.400 . 1 . . . . 342 GLN N . 16909 1 51 . 1 1 7 7 GLN NE2 N 15 113.255 0.400 . 1 . . . . 342 GLN NE2 . 16909 1 52 . 1 1 8 8 LYS H H 1 8.561 0.020 . 1 . . . . 343 LYS H . 16909 1 53 . 1 1 8 8 LYS HA H 1 5.453 0.020 . 1 . . . . 343 LYS HA . 16909 1 54 . 1 1 8 8 LYS HB2 H 1 1.690 0.020 . 2 . . . . 343 LYS HB2 . 16909 1 55 . 1 1 8 8 LYS HB3 H 1 1.608 0.020 . 2 . . . . 343 LYS HB3 . 16909 1 56 . 1 1 8 8 LYS HD2 H 1 1.519 0.020 . 2 . . . . 343 LYS HD2 . 16909 1 57 . 1 1 8 8 LYS HD3 H 1 1.519 0.020 . 2 . . . . 343 LYS HD3 . 16909 1 58 . 1 1 8 8 LYS HE2 H 1 2.901 0.020 . 2 . . . . 343 LYS HE2 . 16909 1 59 . 1 1 8 8 LYS HE3 H 1 2.901 0.020 . 2 . . . . 343 LYS HE3 . 16909 1 60 . 1 1 8 8 LYS HG2 H 1 1.506 0.020 . 2 . . . . 343 LYS HG2 . 16909 1 61 . 1 1 8 8 LYS HG3 H 1 1.361 0.020 . 2 . . . . 343 LYS HG3 . 16909 1 62 . 1 1 8 8 LYS CA C 13 55.876 0.400 . 1 . . . . 343 LYS CA . 16909 1 63 . 1 1 8 8 LYS CB C 13 38.154 0.400 . 1 . . . . 343 LYS CB . 16909 1 64 . 1 1 8 8 LYS CD C 13 30.605 0.400 . 1 . . . . 343 LYS CD . 16909 1 65 . 1 1 8 8 LYS CE C 13 43.531 0.400 . 1 . . . . 343 LYS CE . 16909 1 66 . 1 1 8 8 LYS CG C 13 26.825 0.400 . 1 . . . . 343 LYS CG . 16909 1 67 . 1 1 8 8 LYS N N 15 120.626 0.400 . 1 . . . . 343 LYS N . 16909 1 68 . 1 1 9 9 VAL H H 1 9.095 0.020 . 1 . . . . 344 VAL H . 16909 1 69 . 1 1 9 9 VAL HA H 1 5.004 0.020 . 1 . . . . 344 VAL HA . 16909 1 70 . 1 1 9 9 VAL HB H 1 1.971 0.020 . 1 . . . . 344 VAL HB . 16909 1 71 . 1 1 9 9 VAL HG11 H 1 0.829 0.020 . 2 . . . . 344 VAL HG1 . 16909 1 72 . 1 1 9 9 VAL HG12 H 1 0.829 0.020 . 2 . . . . 344 VAL HG1 . 16909 1 73 . 1 1 9 9 VAL HG13 H 1 0.829 0.020 . 2 . . . . 344 VAL HG1 . 16909 1 74 . 1 1 9 9 VAL HG21 H 1 0.620 0.020 . 2 . . . . 344 VAL HG2 . 16909 1 75 . 1 1 9 9 VAL HG22 H 1 0.620 0.020 . 2 . . . . 344 VAL HG2 . 16909 1 76 . 1 1 9 9 VAL HG23 H 1 0.620 0.020 . 2 . . . . 344 VAL HG2 . 16909 1 77 . 1 1 9 9 VAL CA C 13 59.372 0.400 . 1 . . . . 344 VAL CA . 16909 1 78 . 1 1 9 9 VAL CB C 13 36.483 0.400 . 1 . . . . 344 VAL CB . 16909 1 79 . 1 1 9 9 VAL CG1 C 13 23.136 0.400 . 1 . . . . 344 VAL CG1 . 16909 1 80 . 1 1 9 9 VAL CG2 C 13 20.550 0.400 . 1 . . . . 344 VAL CG2 . 16909 1 81 . 1 1 9 9 VAL N N 15 111.125 0.400 . 1 . . . . 344 VAL N . 16909 1 82 . 1 1 10 10 LYS H H 1 8.993 0.020 . 1 . . . . 345 LYS H . 16909 1 83 . 1 1 10 10 LYS HA H 1 5.345 0.020 . 1 . . . . 345 LYS HA . 16909 1 84 . 1 1 10 10 LYS HB2 H 1 1.636 0.020 . 2 . . . . 345 LYS HB2 . 16909 1 85 . 1 1 10 10 LYS HB3 H 1 1.506 0.020 . 2 . . . . 345 LYS HB3 . 16909 1 86 . 1 1 10 10 LYS HD2 H 1 1.587 0.020 . 2 . . . . 345 LYS HD2 . 16909 1 87 . 1 1 10 10 LYS HD3 H 1 1.587 0.020 . 2 . . . . 345 LYS HD3 . 16909 1 88 . 1 1 10 10 LYS HE2 H 1 2.850 0.020 . 2 . . . . 345 LYS HE2 . 16909 1 89 . 1 1 10 10 LYS HE3 H 1 2.850 0.020 . 2 . . . . 345 LYS HE3 . 16909 1 90 . 1 1 10 10 LYS HG2 H 1 1.340 0.020 . 2 . . . . 345 LYS HG2 . 16909 1 91 . 1 1 10 10 LYS HG3 H 1 1.179 0.020 . 2 . . . . 345 LYS HG3 . 16909 1 92 . 1 1 10 10 LYS CA C 13 54.165 0.400 . 1 . . . . 345 LYS CA . 16909 1 93 . 1 1 10 10 LYS CB C 13 37.091 0.400 . 1 . . . . 345 LYS CB . 16909 1 94 . 1 1 10 10 LYS CD C 13 30.793 0.400 . 1 . . . . 345 LYS CD . 16909 1 95 . 1 1 10 10 LYS CE C 13 43.185 0.400 . 1 . . . . 345 LYS CE . 16909 1 96 . 1 1 10 10 LYS CG C 13 25.888 0.400 . 1 . . . . 345 LYS CG . 16909 1 97 . 1 1 10 10 LYS N N 15 120.038 0.400 . 1 . . . . 345 LYS N . 16909 1 98 . 1 1 11 11 THR H H 1 9.130 0.020 . 1 . . . . 346 THR H . 16909 1 99 . 1 1 11 11 THR HA H 1 4.468 0.020 . 1 . . . . 346 THR HA . 16909 1 100 . 1 1 11 11 THR HB H 1 4.455 0.020 . 1 . . . . 346 THR HB . 16909 1 101 . 1 1 11 11 THR HG21 H 1 -0.135 0.020 . 1 . . . . 346 THR HG2 . 16909 1 102 . 1 1 11 11 THR HG22 H 1 -0.135 0.020 . 1 . . . . 346 THR HG2 . 16909 1 103 . 1 1 11 11 THR HG23 H 1 -0.135 0.020 . 1 . . . . 346 THR HG2 . 16909 1 104 . 1 1 11 11 THR CA C 13 62.165 0.400 . 1 . . . . 346 THR CA . 16909 1 105 . 1 1 11 11 THR CB C 13 70.656 0.400 . 1 . . . . 346 THR CB . 16909 1 106 . 1 1 11 11 THR CG2 C 13 22.990 0.400 . 1 . . . . 346 THR CG2 . 16909 1 107 . 1 1 11 11 THR N N 15 116.990 0.400 . 1 . . . . 346 THR N . 16909 1 108 . 1 1 12 12 ILE H H 1 9.235 0.020 . 1 . . . . 347 ILE H . 16909 1 109 . 1 1 12 12 ILE HA H 1 4.385 0.020 . 1 . . . . 347 ILE HA . 16909 1 110 . 1 1 12 12 ILE HB H 1 1.878 0.020 . 1 . . . . 347 ILE HB . 16909 1 111 . 1 1 12 12 ILE HD11 H 1 0.792 0.020 . 1 . . . . 347 ILE HD1 . 16909 1 112 . 1 1 12 12 ILE HD12 H 1 0.792 0.020 . 1 . . . . 347 ILE HD1 . 16909 1 113 . 1 1 12 12 ILE HD13 H 1 0.792 0.020 . 1 . . . . 347 ILE HD1 . 16909 1 114 . 1 1 12 12 ILE HG12 H 1 1.097 0.020 . 2 . . . . 347 ILE HG12 . 16909 1 115 . 1 1 12 12 ILE HG13 H 1 0.748 0.020 . 2 . . . . 347 ILE HG13 . 16909 1 116 . 1 1 12 12 ILE HG21 H 1 0.652 0.020 . 1 . . . . 347 ILE HG2 . 16909 1 117 . 1 1 12 12 ILE HG22 H 1 0.652 0.020 . 1 . . . . 347 ILE HG2 . 16909 1 118 . 1 1 12 12 ILE HG23 H 1 0.652 0.020 . 1 . . . . 347 ILE HG2 . 16909 1 119 . 1 1 12 12 ILE CA C 13 62.095 0.400 . 1 . . . . 347 ILE CA . 16909 1 120 . 1 1 12 12 ILE CB C 13 40.258 0.400 . 1 . . . . 347 ILE CB . 16909 1 121 . 1 1 12 12 ILE CD1 C 13 15.021 0.400 . 1 . . . . 347 ILE CD1 . 16909 1 122 . 1 1 12 12 ILE CG1 C 13 28.059 0.400 . 1 . . . . 347 ILE CG1 . 16909 1 123 . 1 1 12 12 ILE CG2 C 13 19.565 0.400 . 1 . . . . 347 ILE CG2 . 16909 1 124 . 1 1 12 12 ILE N N 15 118.072 0.400 . 1 . . . . 347 ILE N . 16909 1 125 . 1 1 13 13 PHE H H 1 7.882 0.020 . 1 . . . . 348 PHE H . 16909 1 126 . 1 1 13 13 PHE HA H 1 4.907 0.020 . 1 . . . . 348 PHE HA . 16909 1 127 . 1 1 13 13 PHE HB2 H 1 2.853 0.020 . 2 . . . . 348 PHE HB2 . 16909 1 128 . 1 1 13 13 PHE HB3 H 1 2.521 0.020 . 2 . . . . 348 PHE HB3 . 16909 1 129 . 1 1 13 13 PHE HD1 H 1 7.132 0.020 . 1 . . . . 348 PHE HD1 . 16909 1 130 . 1 1 13 13 PHE HD2 H 1 7.132 0.020 . 1 . . . . 348 PHE HD2 . 16909 1 131 . 1 1 13 13 PHE HE1 H 1 7.317 0.020 . 1 . . . . 348 PHE HE1 . 16909 1 132 . 1 1 13 13 PHE HE2 H 1 7.317 0.020 . 1 . . . . 348 PHE HE2 . 16909 1 133 . 1 1 13 13 PHE HZ H 1 6.966 0.020 . 1 . . . . 348 PHE HZ . 16909 1 134 . 1 1 13 13 PHE CA C 13 57.097 0.400 . 1 . . . . 348 PHE CA . 16909 1 135 . 1 1 13 13 PHE CB C 13 43.837 0.400 . 1 . . . . 348 PHE CB . 16909 1 136 . 1 1 13 13 PHE CD1 C 13 133.524 0.400 . 1 . . . . 348 PHE CD1 . 16909 1 137 . 1 1 13 13 PHE CE1 C 13 132.597 0.400 . 1 . . . . 348 PHE CE1 . 16909 1 138 . 1 1 13 13 PHE CZ C 13 133.199 0.400 . 1 . . . . 348 PHE CZ . 16909 1 139 . 1 1 13 13 PHE N N 15 120.423 0.400 . 1 . . . . 348 PHE N . 16909 1 140 . 1 1 14 14 PRO HA H 1 4.661 0.020 . 1 . . . . 349 PRO HA . 16909 1 141 . 1 1 14 14 PRO HB2 H 1 2.421 0.020 . 2 . . . . 349 PRO HB2 . 16909 1 142 . 1 1 14 14 PRO HB3 H 1 2.069 0.020 . 2 . . . . 349 PRO HB3 . 16909 1 143 . 1 1 14 14 PRO HD2 H 1 3.600 0.020 . 2 . . . . 349 PRO HD2 . 16909 1 144 . 1 1 14 14 PRO HD3 H 1 3.143 0.020 . 2 . . . . 349 PRO HD3 . 16909 1 145 . 1 1 14 14 PRO HG2 H 1 1.996 0.020 . 2 . . . . 349 PRO HG2 . 16909 1 146 . 1 1 14 14 PRO HG3 H 1 1.996 0.020 . 2 . . . . 349 PRO HG3 . 16909 1 147 . 1 1 14 14 PRO CA C 13 63.922 0.400 . 1 . . . . 349 PRO CA . 16909 1 148 . 1 1 14 14 PRO CB C 13 33.890 0.400 . 1 . . . . 349 PRO CB . 16909 1 149 . 1 1 14 14 PRO CD C 13 51.218 0.400 . 1 . . . . 349 PRO CD . 16909 1 150 . 1 1 14 14 PRO CG C 13 28.405 0.400 . 1 . . . . 349 PRO CG . 16909 1 151 . 1 1 15 15 HIS H H 1 8.343 0.020 . 1 . . . . 350 HIS H . 16909 1 152 . 1 1 15 15 HIS HA H 1 4.892 0.020 . 1 . . . . 350 HIS HA . 16909 1 153 . 1 1 15 15 HIS HB2 H 1 2.640 0.020 . 2 . . . . 350 HIS HB2 . 16909 1 154 . 1 1 15 15 HIS HB3 H 1 1.330 0.020 . 2 . . . . 350 HIS HB3 . 16909 1 155 . 1 1 15 15 HIS HD2 H 1 6.758 0.020 . 1 . . . . 350 HIS HD2 . 16909 1 156 . 1 1 15 15 HIS HE1 H 1 7.732 0.020 . 1 . . . . 350 HIS HE1 . 16909 1 157 . 1 1 15 15 HIS CA C 13 57.763 0.400 . 1 . . . . 350 HIS CA . 16909 1 158 . 1 1 15 15 HIS CB C 13 34.114 0.400 . 1 . . . . 350 HIS CB . 16909 1 159 . 1 1 15 15 HIS CD2 C 13 129.232 0.400 . 1 . . . . 350 HIS CD2 . 16909 1 160 . 1 1 15 15 HIS CE1 C 13 137.101 0.400 . 1 . . . . 350 HIS CE1 . 16909 1 161 . 1 1 15 15 HIS N N 15 118.399 0.400 . 1 . . . . 350 HIS N . 16909 1 162 . 1 1 16 16 THR H H 1 8.350 0.020 . 1 . . . . 351 THR H . 16909 1 163 . 1 1 16 16 THR HA H 1 4.483 0.020 . 1 . . . . 351 THR HA . 16909 1 164 . 1 1 16 16 THR HB H 1 4.011 0.020 . 1 . . . . 351 THR HB . 16909 1 165 . 1 1 16 16 THR HG21 H 1 1.143 0.020 . 1 . . . . 351 THR HG2 . 16909 1 166 . 1 1 16 16 THR HG22 H 1 1.143 0.020 . 1 . . . . 351 THR HG2 . 16909 1 167 . 1 1 16 16 THR HG23 H 1 1.143 0.020 . 1 . . . . 351 THR HG2 . 16909 1 168 . 1 1 16 16 THR CA C 13 61.153 0.400 . 1 . . . . 351 THR CA . 16909 1 169 . 1 1 16 16 THR CB C 13 71.231 0.400 . 1 . . . . 351 THR CB . 16909 1 170 . 1 1 16 16 THR CG2 C 13 22.386 0.400 . 1 . . . . 351 THR CG2 . 16909 1 171 . 1 1 16 16 THR N N 15 121.860 0.400 . 1 . . . . 351 THR N . 16909 1 172 . 1 1 17 17 ALA H H 1 8.401 0.020 . 1 . . . . 352 ALA H . 16909 1 173 . 1 1 17 17 ALA HA H 1 3.970 0.020 . 1 . . . . 352 ALA HA . 16909 1 174 . 1 1 17 17 ALA HB1 H 1 1.346 0.020 . 1 . . . . 352 ALA HB . 16909 1 175 . 1 1 17 17 ALA HB2 H 1 1.346 0.020 . 1 . . . . 352 ALA HB . 16909 1 176 . 1 1 17 17 ALA HB3 H 1 1.346 0.020 . 1 . . . . 352 ALA HB . 16909 1 177 . 1 1 17 17 ALA CA C 13 54.509 0.400 . 1 . . . . 352 ALA CA . 16909 1 178 . 1 1 17 17 ALA CB C 13 21.991 0.400 . 1 . . . . 352 ALA CB . 16909 1 179 . 1 1 17 17 ALA N N 15 127.854 0.400 . 1 . . . . 352 ALA N . 16909 1 180 . 1 1 18 18 GLY H H 1 8.181 0.020 . 1 . . . . 353 GLY H . 16909 1 181 . 1 1 18 18 GLY HA2 H 1 3.927 0.020 . 2 . . . . 353 GLY HA2 . 16909 1 182 . 1 1 18 18 GLY HA3 H 1 3.702 0.020 . 2 . . . . 353 GLY HA3 . 16909 1 183 . 1 1 18 18 GLY CA C 13 47.414 0.400 . 1 . . . . 353 GLY CA . 16909 1 184 . 1 1 18 18 GLY N N 15 105.991 0.400 . 1 . . . . 353 GLY N . 16909 1 185 . 1 1 19 19 SER HA H 1 4.420 0.020 . 1 . . . . 354 SER HA . 16909 1 186 . 1 1 19 19 SER HB2 H 1 4.062 0.020 . 2 . . . . 354 SER HB2 . 16909 1 187 . 1 1 19 19 SER HB3 H 1 3.913 0.020 . 2 . . . . 354 SER HB3 . 16909 1 188 . 1 1 19 19 SER CA C 13 59.787 0.400 . 1 . . . . 354 SER CA . 16909 1 189 . 1 1 19 19 SER CB C 13 64.623 0.400 . 1 . . . . 354 SER CB . 16909 1 190 . 1 1 20 20 ASN H H 1 7.732 0.020 . 1 . . . . 355 ASN H . 16909 1 191 . 1 1 20 20 ASN HB2 H 1 3.269 0.020 . 2 . . . . 355 ASN HB2 . 16909 1 192 . 1 1 20 20 ASN HB3 H 1 2.900 0.020 . 2 . . . . 355 ASN HB3 . 16909 1 193 . 1 1 20 20 ASN HD21 H 1 8.154 0.020 . 2 . . . . 355 ASN HD21 . 16909 1 194 . 1 1 20 20 ASN HD22 H 1 7.385 0.020 . 2 . . . . 355 ASN HD22 . 16909 1 195 . 1 1 20 20 ASN CA C 13 54.164 0.400 . 1 . . . . 355 ASN CA . 16909 1 196 . 1 1 20 20 ASN CB C 13 39.942 0.400 . 1 . . . . 355 ASN CB . 16909 1 197 . 1 1 20 20 ASN N N 15 119.814 0.400 . 1 . . . . 355 ASN N . 16909 1 198 . 1 1 20 20 ASN ND2 N 15 113.300 0.400 . 1 . . . . 355 ASN ND2 . 16909 1 199 . 1 1 21 21 LYS HA H 1 4.399 0.020 . 1 . . . . 356 LYS HA . 16909 1 200 . 1 1 21 21 LYS HB2 H 1 2.124 0.020 . 2 . . . . 356 LYS HB2 . 16909 1 201 . 1 1 21 21 LYS HB3 H 1 1.958 0.020 . 2 . . . . 356 LYS HB3 . 16909 1 202 . 1 1 21 21 LYS HD2 H 1 1.772 0.020 . 2 . . . . 356 LYS HD2 . 16909 1 203 . 1 1 21 21 LYS HD3 H 1 1.772 0.020 . 2 . . . . 356 LYS HD3 . 16909 1 204 . 1 1 21 21 LYS HE2 H 1 3.093 0.020 . 2 . . . . 356 LYS HE2 . 16909 1 205 . 1 1 21 21 LYS HE3 H 1 3.093 0.020 . 2 . . . . 356 LYS HE3 . 16909 1 206 . 1 1 21 21 LYS HG2 H 1 1.632 0.020 . 2 . . . . 356 LYS HG2 . 16909 1 207 . 1 1 21 21 LYS HG3 H 1 1.632 0.020 . 2 . . . . 356 LYS HG3 . 16909 1 208 . 1 1 21 21 LYS CA C 13 59.039 0.400 . 1 . . . . 356 LYS CA . 16909 1 209 . 1 1 21 21 LYS CB C 13 33.425 0.400 . 1 . . . . 356 LYS CB . 16909 1 210 . 1 1 21 21 LYS CD C 13 30.131 0.400 . 1 . . . . 356 LYS CD . 16909 1 211 . 1 1 21 21 LYS CE C 13 43.453 0.400 . 1 . . . . 356 LYS CE . 16909 1 212 . 1 1 21 21 LYS CG C 13 26.223 0.400 . 1 . . . . 356 LYS CG . 16909 1 213 . 1 1 22 22 THR H H 1 8.545 0.020 . 1 . . . . 357 THR H . 16909 1 214 . 1 1 22 22 THR HA H 1 4.683 0.020 . 1 . . . . 357 THR HA . 16909 1 215 . 1 1 22 22 THR HB H 1 4.547 0.020 . 1 . . . . 357 THR HB . 16909 1 216 . 1 1 22 22 THR HG21 H 1 1.348 0.020 . 1 . . . . 357 THR HG2 . 16909 1 217 . 1 1 22 22 THR HG22 H 1 1.348 0.020 . 1 . . . . 357 THR HG2 . 16909 1 218 . 1 1 22 22 THR HG23 H 1 1.348 0.020 . 1 . . . . 357 THR HG2 . 16909 1 219 . 1 1 22 22 THR CA C 13 64.129 0.400 . 1 . . . . 357 THR CA . 16909 1 220 . 1 1 22 22 THR CB C 13 70.881 0.400 . 1 . . . . 357 THR CB . 16909 1 221 . 1 1 22 22 THR CG2 C 13 23.561 0.400 . 1 . . . . 357 THR CG2 . 16909 1 222 . 1 1 22 22 THR N N 15 108.897 0.400 . 1 . . . . 357 THR N . 16909 1 223 . 1 1 23 23 LEU H H 1 7.413 0.020 . 1 . . . . 358 LEU H . 16909 1 224 . 1 1 23 23 LEU HA H 1 5.509 0.020 . 1 . . . . 358 LEU HA . 16909 1 225 . 1 1 23 23 LEU HB2 H 1 2.113 0.020 . 2 . . . . 358 LEU HB2 . 16909 1 226 . 1 1 23 23 LEU HB3 H 1 1.637 0.020 . 2 . . . . 358 LEU HB3 . 16909 1 227 . 1 1 23 23 LEU HD11 H 1 1.277 0.020 . 2 . . . . 358 LEU HD1 . 16909 1 228 . 1 1 23 23 LEU HD12 H 1 1.277 0.020 . 2 . . . . 358 LEU HD1 . 16909 1 229 . 1 1 23 23 LEU HD13 H 1 1.277 0.020 . 2 . . . . 358 LEU HD1 . 16909 1 230 . 1 1 23 23 LEU HD21 H 1 0.903 0.020 . 2 . . . . 358 LEU HD2 . 16909 1 231 . 1 1 23 23 LEU HD22 H 1 0.903 0.020 . 2 . . . . 358 LEU HD2 . 16909 1 232 . 1 1 23 23 LEU HD23 H 1 0.903 0.020 . 2 . . . . 358 LEU HD2 . 16909 1 233 . 1 1 23 23 LEU HG H 1 1.802 0.020 . 1 . . . . 358 LEU HG . 16909 1 234 . 1 1 23 23 LEU CA C 13 54.719 0.400 . 1 . . . . 358 LEU CA . 16909 1 235 . 1 1 23 23 LEU CB C 13 45.359 0.400 . 1 . . . . 358 LEU CB . 16909 1 236 . 1 1 23 23 LEU CD1 C 13 27.221 0.400 . 1 . . . . 358 LEU CD1 . 16909 1 237 . 1 1 23 23 LEU CD2 C 13 25.308 0.400 . 1 . . . . 358 LEU CD2 . 16909 1 238 . 1 1 23 23 LEU CG C 13 29.081 0.400 . 1 . . . . 358 LEU CG . 16909 1 239 . 1 1 23 23 LEU N N 15 119.369 0.400 . 1 . . . . 358 LEU N . 16909 1 240 . 1 1 24 24 LEU H H 1 8.745 0.020 . 1 . . . . 359 LEU H . 16909 1 241 . 1 1 24 24 LEU HA H 1 4.625 0.020 . 1 . . . . 359 LEU HA . 16909 1 242 . 1 1 24 24 LEU HB2 H 1 1.883 0.020 . 2 . . . . 359 LEU HB2 . 16909 1 243 . 1 1 24 24 LEU HB3 H 1 0.944 0.020 . 2 . . . . 359 LEU HB3 . 16909 1 244 . 1 1 24 24 LEU HD11 H 1 0.734 0.020 . 2 . . . . 359 LEU HD1 . 16909 1 245 . 1 1 24 24 LEU HD12 H 1 0.734 0.020 . 2 . . . . 359 LEU HD1 . 16909 1 246 . 1 1 24 24 LEU HD13 H 1 0.734 0.020 . 2 . . . . 359 LEU HD1 . 16909 1 247 . 1 1 24 24 LEU HD21 H 1 0.909 0.020 . 2 . . . . 359 LEU HD2 . 16909 1 248 . 1 1 24 24 LEU HD22 H 1 0.909 0.020 . 2 . . . . 359 LEU HD2 . 16909 1 249 . 1 1 24 24 LEU HD23 H 1 0.909 0.020 . 2 . . . . 359 LEU HD2 . 16909 1 250 . 1 1 24 24 LEU HG H 1 1.718 0.020 . 1 . . . . 359 LEU HG . 16909 1 251 . 1 1 24 24 LEU CA C 13 54.680 0.400 . 1 . . . . 359 LEU CA . 16909 1 252 . 1 1 24 24 LEU CB C 13 46.724 0.400 . 1 . . . . 359 LEU CB . 16909 1 253 . 1 1 24 24 LEU CD1 C 13 27.789 0.400 . 1 . . . . 359 LEU CD1 . 16909 1 254 . 1 1 24 24 LEU CD2 C 13 25.798 0.400 . 1 . . . . 359 LEU CD2 . 16909 1 255 . 1 1 24 24 LEU CG C 13 28.151 0.400 . 1 . . . . 359 LEU CG . 16909 1 256 . 1 1 24 24 LEU N N 15 121.566 0.400 . 1 . . . . 359 LEU N . 16909 1 257 . 1 1 25 25 SER H H 1 8.500 0.020 . 1 . . . . 360 SER H . 16909 1 258 . 1 1 25 25 SER HA H 1 4.816 0.020 . 1 . . . . 360 SER HA . 16909 1 259 . 1 1 25 25 SER HB2 H 1 4.023 0.020 . 2 . . . . 360 SER HB2 . 16909 1 260 . 1 1 25 25 SER HB3 H 1 3.787 0.020 . 2 . . . . 360 SER HB3 . 16909 1 261 . 1 1 25 25 SER CA C 13 59.337 0.400 . 1 . . . . 360 SER CA . 16909 1 262 . 1 1 25 25 SER CB C 13 65.926 0.400 . 1 . . . . 360 SER CB . 16909 1 263 . 1 1 25 25 SER N N 15 121.877 0.400 . 1 . . . . 360 SER N . 16909 1 264 . 1 1 26 26 PHE H H 1 8.850 0.020 . 1 . . . . 361 PHE H . 16909 1 265 . 1 1 26 26 PHE HA H 1 4.896 0.020 . 1 . . . . 361 PHE HA . 16909 1 266 . 1 1 26 26 PHE HB2 H 1 3.744 0.020 . 2 . . . . 361 PHE HB2 . 16909 1 267 . 1 1 26 26 PHE HB3 H 1 3.548 0.020 . 2 . . . . 361 PHE HB3 . 16909 1 268 . 1 1 26 26 PHE HD1 H 1 6.856 0.020 . 1 . . . . 361 PHE HD1 . 16909 1 269 . 1 1 26 26 PHE HD2 H 1 6.856 0.020 . 1 . . . . 361 PHE HD2 . 16909 1 270 . 1 1 26 26 PHE HE1 H 1 7.075 0.020 . 1 . . . . 361 PHE HE1 . 16909 1 271 . 1 1 26 26 PHE HE2 H 1 7.075 0.020 . 1 . . . . 361 PHE HE2 . 16909 1 272 . 1 1 26 26 PHE HZ H 1 6.812 0.020 . 1 . . . . 361 PHE HZ . 16909 1 273 . 1 1 26 26 PHE CA C 13 57.359 0.400 . 1 . . . . 361 PHE CA . 16909 1 274 . 1 1 26 26 PHE CB C 13 41.656 0.400 . 1 . . . . 361 PHE CB . 16909 1 275 . 1 1 26 26 PHE CD1 C 13 134.684 0.400 . 1 . . . . 361 PHE CD1 . 16909 1 276 . 1 1 26 26 PHE CE1 C 13 135.036 0.400 . 1 . . . . 361 PHE CE1 . 16909 1 277 . 1 1 26 26 PHE CZ C 13 131.913 0.400 . 1 . . . . 361 PHE CZ . 16909 1 278 . 1 1 26 26 PHE N N 15 114.303 0.400 . 1 . . . . 361 PHE N . 16909 1 279 . 1 1 27 27 ALA H H 1 8.742 0.020 . 1 . . . . 362 ALA H . 16909 1 280 . 1 1 27 27 ALA HA H 1 4.794 0.020 . 1 . . . . 362 ALA HA . 16909 1 281 . 1 1 27 27 ALA HB1 H 1 1.557 0.020 . 1 . . . . 362 ALA HB . 16909 1 282 . 1 1 27 27 ALA HB2 H 1 1.557 0.020 . 1 . . . . 362 ALA HB . 16909 1 283 . 1 1 27 27 ALA HB3 H 1 1.557 0.020 . 1 . . . . 362 ALA HB . 16909 1 284 . 1 1 27 27 ALA CA C 13 51.347 0.400 . 1 . . . . 362 ALA CA . 16909 1 285 . 1 1 27 27 ALA CB C 13 21.838 0.400 . 1 . . . . 362 ALA CB . 16909 1 286 . 1 1 27 27 ALA N N 15 124.150 0.400 . 1 . . . . 362 ALA N . 16909 1 287 . 1 1 28 28 GLN H H 1 8.868 0.020 . 1 . . . . 363 GLN H . 16909 1 288 . 1 1 28 28 GLN HA H 1 3.644 0.020 . 1 . . . . 363 GLN HA . 16909 1 289 . 1 1 28 28 GLN HB2 H 1 1.954 0.020 . 2 . . . . 363 GLN HB2 . 16909 1 290 . 1 1 28 28 GLN HB3 H 1 1.690 0.020 . 2 . . . . 363 GLN HB3 . 16909 1 291 . 1 1 28 28 GLN HE21 H 1 7.346 0.020 . 2 . . . . 363 GLN HE21 . 16909 1 292 . 1 1 28 28 GLN HE22 H 1 6.854 0.020 . 2 . . . . 363 GLN HE22 . 16909 1 293 . 1 1 28 28 GLN HG2 H 1 2.140 0.020 . 2 . . . . 363 GLN HG2 . 16909 1 294 . 1 1 28 28 GLN HG3 H 1 1.957 0.020 . 2 . . . . 363 GLN HG3 . 16909 1 295 . 1 1 28 28 GLN CA C 13 58.969 0.400 . 1 . . . . 363 GLN CA . 16909 1 296 . 1 1 28 28 GLN CB C 13 30.066 0.400 . 1 . . . . 363 GLN CB . 16909 1 297 . 1 1 28 28 GLN CG C 13 34.755 0.400 . 1 . . . . 363 GLN CG . 16909 1 298 . 1 1 28 28 GLN N N 15 120.659 0.400 . 1 . . . . 363 GLN N . 16909 1 299 . 1 1 28 28 GLN NE2 N 15 110.700 0.400 . 1 . . . . 363 GLN NE2 . 16909 1 300 . 1 1 29 29 GLY H H 1 8.302 0.020 . 1 . . . . 364 GLY H . 16909 1 301 . 1 1 29 29 GLY HA2 H 1 4.292 0.020 . 2 . . . . 364 GLY HA2 . 16909 1 302 . 1 1 29 29 GLY HA3 H 1 3.496 0.020 . 2 . . . . 364 GLY HA3 . 16909 1 303 . 1 1 29 29 GLY CA C 13 46.626 0.400 . 1 . . . . 364 GLY CA . 16909 1 304 . 1 1 29 29 GLY N N 15 116.430 0.400 . 1 . . . . 364 GLY N . 16909 1 305 . 1 1 30 30 ASP H H 1 7.535 0.020 . 1 . . . . 365 ASP H . 16909 1 306 . 1 1 30 30 ASP HA H 1 4.658 0.020 . 1 . . . . 365 ASP HA . 16909 1 307 . 1 1 30 30 ASP HB2 H 1 2.594 0.020 . 2 . . . . 365 ASP HB2 . 16909 1 308 . 1 1 30 30 ASP HB3 H 1 2.263 0.020 . 2 . . . . 365 ASP HB3 . 16909 1 309 . 1 1 30 30 ASP CA C 13 55.236 0.400 . 1 . . . . 365 ASP CA . 16909 1 310 . 1 1 30 30 ASP CB C 13 43.341 0.400 . 1 . . . . 365 ASP CB . 16909 1 311 . 1 1 30 30 ASP N N 15 122.006 0.400 . 1 . . . . 365 ASP N . 16909 1 312 . 1 1 31 31 VAL H H 1 8.016 0.020 . 1 . . . . 366 VAL H . 16909 1 313 . 1 1 31 31 VAL HA H 1 4.783 0.020 . 1 . . . . 366 VAL HA . 16909 1 314 . 1 1 31 31 VAL HB H 1 1.730 0.020 . 1 . . . . 366 VAL HB . 16909 1 315 . 1 1 31 31 VAL HG11 H 1 0.834 0.020 . 2 . . . . 366 VAL HG1 . 16909 1 316 . 1 1 31 31 VAL HG12 H 1 0.834 0.020 . 2 . . . . 366 VAL HG1 . 16909 1 317 . 1 1 31 31 VAL HG13 H 1 0.834 0.020 . 2 . . . . 366 VAL HG1 . 16909 1 318 . 1 1 31 31 VAL HG21 H 1 0.834 0.020 . 2 . . . . 366 VAL HG2 . 16909 1 319 . 1 1 31 31 VAL HG22 H 1 0.834 0.020 . 2 . . . . 366 VAL HG2 . 16909 1 320 . 1 1 31 31 VAL HG23 H 1 0.834 0.020 . 2 . . . . 366 VAL HG2 . 16909 1 321 . 1 1 31 31 VAL CA C 13 62.949 0.400 . 1 . . . . 366 VAL CA . 16909 1 322 . 1 1 31 31 VAL CB C 13 34.657 0.400 . 1 . . . . 366 VAL CB . 16909 1 323 . 1 1 31 31 VAL CG1 C 13 24.024 0.400 . 1 . . . . 366 VAL CG1 . 16909 1 324 . 1 1 31 31 VAL CG2 C 13 23.182 0.400 . 1 . . . . 366 VAL CG2 . 16909 1 325 . 1 1 31 31 VAL N N 15 118.820 0.400 . 1 . . . . 366 VAL N . 16909 1 326 . 1 1 32 32 ILE H H 1 8.486 0.020 . 1 . . . . 367 ILE H . 16909 1 327 . 1 1 32 32 ILE HA H 1 4.338 0.020 . 1 . . . . 367 ILE HA . 16909 1 328 . 1 1 32 32 ILE HB H 1 1.170 0.020 . 1 . . . . 367 ILE HB . 16909 1 329 . 1 1 32 32 ILE HD11 H 1 -0.377 0.020 . 1 . . . . 367 ILE HD1 . 16909 1 330 . 1 1 32 32 ILE HD12 H 1 -0.377 0.020 . 1 . . . . 367 ILE HD1 . 16909 1 331 . 1 1 32 32 ILE HD13 H 1 -0.377 0.020 . 1 . . . . 367 ILE HD1 . 16909 1 332 . 1 1 32 32 ILE HG12 H 1 0.459 0.020 . 2 . . . . 367 ILE HG12 . 16909 1 333 . 1 1 32 32 ILE HG13 H 1 0.416 0.020 . 2 . . . . 367 ILE HG13 . 16909 1 334 . 1 1 32 32 ILE HG21 H 1 0.350 0.020 . 1 . . . . 367 ILE HG2 . 16909 1 335 . 1 1 32 32 ILE HG22 H 1 0.350 0.020 . 1 . . . . 367 ILE HG2 . 16909 1 336 . 1 1 32 32 ILE HG23 H 1 0.350 0.020 . 1 . . . . 367 ILE HG2 . 16909 1 337 . 1 1 32 32 ILE CA C 13 59.274 0.400 . 1 . . . . 367 ILE CA . 16909 1 338 . 1 1 32 32 ILE CB C 13 42.473 0.400 . 1 . . . . 367 ILE CB . 16909 1 339 . 1 1 32 32 ILE CD1 C 13 14.779 0.400 . 1 . . . . 367 ILE CD1 . 16909 1 340 . 1 1 32 32 ILE CG1 C 13 28.618 0.400 . 1 . . . . 367 ILE CG1 . 16909 1 341 . 1 1 32 32 ILE CG2 C 13 18.654 0.400 . 1 . . . . 367 ILE CG2 . 16909 1 342 . 1 1 32 32 ILE N N 15 125.932 0.400 . 1 . . . . 367 ILE N . 16909 1 343 . 1 1 33 33 THR H H 1 9.025 0.020 . 1 . . . . 368 THR H . 16909 1 344 . 1 1 33 33 THR HA H 1 4.474 0.020 . 1 . . . . 368 THR HA . 16909 1 345 . 1 1 33 33 THR HB H 1 3.974 0.020 . 1 . . . . 368 THR HB . 16909 1 346 . 1 1 33 33 THR HG21 H 1 1.121 0.020 . 1 . . . . 368 THR HG2 . 16909 1 347 . 1 1 33 33 THR HG22 H 1 1.121 0.020 . 1 . . . . 368 THR HG2 . 16909 1 348 . 1 1 33 33 THR HG23 H 1 1.121 0.020 . 1 . . . . 368 THR HG2 . 16909 1 349 . 1 1 33 33 THR CA C 13 64.676 0.400 . 1 . . . . 368 THR CA . 16909 1 350 . 1 1 33 33 THR CB C 13 70.889 0.400 . 1 . . . . 368 THR CB . 16909 1 351 . 1 1 33 33 THR CG2 C 13 22.896 0.400 . 1 . . . . 368 THR CG2 . 16909 1 352 . 1 1 33 33 THR N N 15 123.433 0.400 . 1 . . . . 368 THR N . 16909 1 353 . 1 1 34 34 LEU H H 1 9.041 0.020 . 1 . . . . 369 LEU H . 16909 1 354 . 1 1 34 34 LEU HA H 1 4.342 0.020 . 1 . . . . 369 LEU HA . 16909 1 355 . 1 1 34 34 LEU HB2 H 1 1.452 0.020 . 2 . . . . 369 LEU HB2 . 16909 1 356 . 1 1 34 34 LEU HB3 H 1 2.048 0.020 . 2 . . . . 369 LEU HB3 . 16909 1 357 . 1 1 34 34 LEU HD11 H 1 0.915 0.020 . 2 . . . . 369 LEU HD1 . 16909 1 358 . 1 1 34 34 LEU HD12 H 1 0.915 0.020 . 2 . . . . 369 LEU HD1 . 16909 1 359 . 1 1 34 34 LEU HD13 H 1 0.915 0.020 . 2 . . . . 369 LEU HD1 . 16909 1 360 . 1 1 34 34 LEU HD21 H 1 0.962 0.020 . 2 . . . . 369 LEU HD2 . 16909 1 361 . 1 1 34 34 LEU HD22 H 1 0.962 0.020 . 2 . . . . 369 LEU HD2 . 16909 1 362 . 1 1 34 34 LEU HD23 H 1 0.962 0.020 . 2 . . . . 369 LEU HD2 . 16909 1 363 . 1 1 34 34 LEU HG H 1 1.699 0.020 . 1 . . . . 369 LEU HG . 16909 1 364 . 1 1 34 34 LEU CA C 13 56.852 0.400 . 1 . . . . 369 LEU CA . 16909 1 365 . 1 1 34 34 LEU CB C 13 42.762 0.400 . 1 . . . . 369 LEU CB . 16909 1 366 . 1 1 34 34 LEU CD1 C 13 26.604 0.400 . 1 . . . . 369 LEU CD1 . 16909 1 367 . 1 1 34 34 LEU CD2 C 13 25.820 0.400 . 1 . . . . 369 LEU CD2 . 16909 1 368 . 1 1 34 34 LEU CG C 13 28.386 0.400 . 1 . . . . 369 LEU CG . 16909 1 369 . 1 1 34 34 LEU N N 15 125.916 0.400 . 1 . . . . 369 LEU N . 16909 1 370 . 1 1 35 35 LEU H H 1 8.523 0.020 . 1 . . . . 370 LEU H . 16909 1 371 . 1 1 35 35 LEU HA H 1 4.665 0.020 . 1 . . . . 370 LEU HA . 16909 1 372 . 1 1 35 35 LEU HB2 H 1 1.745 0.020 . 2 . . . . 370 LEU HB2 . 16909 1 373 . 1 1 35 35 LEU HB3 H 1 1.521 0.020 . 2 . . . . 370 LEU HB3 . 16909 1 374 . 1 1 35 35 LEU HD11 H 1 0.725 0.020 . 2 . . . . 370 LEU HD1 . 16909 1 375 . 1 1 35 35 LEU HD12 H 1 0.725 0.020 . 2 . . . . 370 LEU HD1 . 16909 1 376 . 1 1 35 35 LEU HD13 H 1 0.725 0.020 . 2 . . . . 370 LEU HD1 . 16909 1 377 . 1 1 35 35 LEU HD21 H 1 0.818 0.020 . 2 . . . . 370 LEU HD2 . 16909 1 378 . 1 1 35 35 LEU HD22 H 1 0.818 0.020 . 2 . . . . 370 LEU HD2 . 16909 1 379 . 1 1 35 35 LEU HD23 H 1 0.818 0.020 . 2 . . . . 370 LEU HD2 . 16909 1 380 . 1 1 35 35 LEU HG H 1 1.555 0.020 . 1 . . . . 370 LEU HG . 16909 1 381 . 1 1 35 35 LEU CA C 13 55.922 0.400 . 1 . . . . 370 LEU CA . 16909 1 382 . 1 1 35 35 LEU CB C 13 44.968 0.400 . 1 . . . . 370 LEU CB . 16909 1 383 . 1 1 35 35 LEU CD1 C 13 26.748 0.400 . 1 . . . . 370 LEU CD1 . 16909 1 384 . 1 1 35 35 LEU CD2 C 13 23.651 0.400 . 1 . . . . 370 LEU CD2 . 16909 1 385 . 1 1 35 35 LEU CG C 13 28.670 0.400 . 1 . . . . 370 LEU CG . 16909 1 386 . 1 1 35 35 LEU N N 15 120.559 0.400 . 1 . . . . 370 LEU N . 16909 1 387 . 1 1 36 36 ILE H H 1 7.399 0.020 . 1 . . . . 371 ILE H . 16909 1 388 . 1 1 36 36 ILE HA H 1 4.796 0.020 . 1 . . . . 371 ILE HA . 16909 1 389 . 1 1 36 36 ILE HB H 1 2.142 0.020 . 1 . . . . 371 ILE HB . 16909 1 390 . 1 1 36 36 ILE HD11 H 1 0.998 0.020 . 1 . . . . 371 ILE HD1 . 16909 1 391 . 1 1 36 36 ILE HD12 H 1 0.998 0.020 . 1 . . . . 371 ILE HD1 . 16909 1 392 . 1 1 36 36 ILE HD13 H 1 0.998 0.020 . 1 . . . . 371 ILE HD1 . 16909 1 393 . 1 1 36 36 ILE HG12 H 1 1.484 0.020 . 2 . . . . 371 ILE HG12 . 16909 1 394 . 1 1 36 36 ILE HG13 H 1 1.152 0.020 . 2 . . . . 371 ILE HG13 . 16909 1 395 . 1 1 36 36 ILE HG21 H 1 1.040 0.020 . 1 . . . . 371 ILE HG2 . 16909 1 396 . 1 1 36 36 ILE HG22 H 1 1.040 0.020 . 1 . . . . 371 ILE HG2 . 16909 1 397 . 1 1 36 36 ILE HG23 H 1 1.040 0.020 . 1 . . . . 371 ILE HG2 . 16909 1 398 . 1 1 36 36 ILE CA C 13 59.382 0.400 . 1 . . . . 371 ILE CA . 16909 1 399 . 1 1 36 36 ILE CB C 13 41.449 0.400 . 1 . . . . 371 ILE CB . 16909 1 400 . 1 1 36 36 ILE CD1 C 13 15.541 0.400 . 1 . . . . 371 ILE CD1 . 16909 1 401 . 1 1 36 36 ILE CG1 C 13 27.002 0.400 . 1 . . . . 371 ILE CG1 . 16909 1 402 . 1 1 36 36 ILE CG2 C 13 19.138 0.400 . 1 . . . . 371 ILE CG2 . 16909 1 403 . 1 1 36 36 ILE N N 15 114.016 0.400 . 1 . . . . 371 ILE N . 16909 1 404 . 1 1 37 37 PRO HA H 1 4.507 0.020 . 1 . . . . 372 PRO HA . 16909 1 405 . 1 1 37 37 PRO HB2 H 1 2.168 0.020 . 2 . . . . 372 PRO HB2 . 16909 1 406 . 1 1 37 37 PRO HB3 H 1 2.077 0.020 . 2 . . . . 372 PRO HB3 . 16909 1 407 . 1 1 37 37 PRO HD2 H 1 3.942 0.020 . 2 . . . . 372 PRO HD2 . 16909 1 408 . 1 1 37 37 PRO HD3 H 1 3.660 0.020 . 2 . . . . 372 PRO HD3 . 16909 1 409 . 1 1 37 37 PRO HG2 H 1 2.040 0.020 . 2 . . . . 372 PRO HG2 . 16909 1 410 . 1 1 37 37 PRO HG3 H 1 2.040 0.020 . 2 . . . . 372 PRO HG3 . 16909 1 411 . 1 1 37 37 PRO CA C 13 65.198 0.400 . 1 . . . . 372 PRO CA . 16909 1 412 . 1 1 37 37 PRO CB C 13 33.479 0.400 . 1 . . . . 372 PRO CB . 16909 1 413 . 1 1 37 37 PRO CD C 13 52.094 0.400 . 1 . . . . 372 PRO CD . 16909 1 414 . 1 1 37 37 PRO CG C 13 28.240 0.400 . 1 . . . . 372 PRO CG . 16909 1 415 . 1 1 38 38 GLU H H 1 7.125 0.020 . 1 . . . . 373 GLU H . 16909 1 416 . 1 1 38 38 GLU HA H 1 4.538 0.020 . 1 . . . . 373 GLU HA . 16909 1 417 . 1 1 38 38 GLU HB2 H 1 2.076 0.020 . 2 . . . . 373 GLU HB2 . 16909 1 418 . 1 1 38 38 GLU HB3 H 1 1.978 0.020 . 2 . . . . 373 GLU HB3 . 16909 1 419 . 1 1 38 38 GLU HG2 H 1 2.288 0.020 . 2 . . . . 373 GLU HG2 . 16909 1 420 . 1 1 38 38 GLU HG3 H 1 2.223 0.020 . 2 . . . . 373 GLU HG3 . 16909 1 421 . 1 1 38 38 GLU CA C 13 56.486 0.400 . 1 . . . . 373 GLU CA . 16909 1 422 . 1 1 38 38 GLU CB C 13 33.164 0.400 . 1 . . . . 373 GLU CB . 16909 1 423 . 1 1 38 38 GLU CG C 13 37.161 0.400 . 1 . . . . 373 GLU CG . 16909 1 424 . 1 1 38 38 GLU N N 15 115.479 0.400 . 1 . . . . 373 GLU N . 16909 1 425 . 1 1 39 39 GLU H H 1 8.470 0.020 . 1 . . . . 374 GLU H . 16909 1 426 . 1 1 39 39 GLU HA H 1 4.591 0.020 . 1 . . . . 374 GLU HA . 16909 1 427 . 1 1 39 39 GLU HB2 H 1 1.905 0.020 . 2 . . . . 374 GLU HB2 . 16909 1 428 . 1 1 39 39 GLU HB3 H 1 1.905 0.020 . 2 . . . . 374 GLU HB3 . 16909 1 429 . 1 1 39 39 GLU HG2 H 1 2.170 0.020 . 2 . . . . 374 GLU HG2 . 16909 1 430 . 1 1 39 39 GLU HG3 H 1 2.170 0.020 . 2 . . . . 374 GLU HG3 . 16909 1 431 . 1 1 39 39 GLU CA C 13 57.038 0.400 . 1 . . . . 374 GLU CA . 16909 1 432 . 1 1 39 39 GLU CB C 13 32.520 0.400 . 1 . . . . 374 GLU CB . 16909 1 433 . 1 1 39 39 GLU CG C 13 36.983 0.400 . 1 . . . . 374 GLU CG . 16909 1 434 . 1 1 39 39 GLU N N 15 120.721 0.400 . 1 . . . . 374 GLU N . 16909 1 435 . 1 1 40 40 LYS H H 1 9.240 0.020 . 1 . . . . 375 LYS H . 16909 1 436 . 1 1 40 40 LYS HA H 1 4.690 0.020 . 1 . . . . 375 LYS HA . 16909 1 437 . 1 1 40 40 LYS HB2 H 1 1.715 0.020 . 2 . . . . 375 LYS HB2 . 16909 1 438 . 1 1 40 40 LYS HB3 H 1 1.715 0.020 . 2 . . . . 375 LYS HB3 . 16909 1 439 . 1 1 40 40 LYS HD2 H 1 1.589 0.020 . 2 . . . . 375 LYS HD2 . 16909 1 440 . 1 1 40 40 LYS HD3 H 1 1.589 0.020 . 2 . . . . 375 LYS HD3 . 16909 1 441 . 1 1 40 40 LYS HG2 H 1 1.385 0.020 . 2 . . . . 375 LYS HG2 . 16909 1 442 . 1 1 40 40 LYS HG3 H 1 1.385 0.020 . 2 . . . . 375 LYS HG3 . 16909 1 443 . 1 1 40 40 LYS CA C 13 55.575 0.400 . 1 . . . . 375 LYS CA . 16909 1 444 . 1 1 40 40 LYS CB C 13 34.168 0.400 . 1 . . . . 375 LYS CB . 16909 1 445 . 1 1 40 40 LYS CD C 13 30.153 0.400 . 1 . . . . 375 LYS CD . 16909 1 446 . 1 1 40 40 LYS CG C 13 25.581 0.400 . 1 . . . . 375 LYS CG . 16909 1 447 . 1 1 40 40 LYS N N 15 122.905 0.400 . 1 . . . . 375 LYS N . 16909 1 448 . 1 1 41 41 ASP H H 1 9.181 0.020 . 1 . . . . 376 ASP H . 16909 1 449 . 1 1 41 41 ASP HA H 1 4.286 0.020 . 1 . . . . 376 ASP HA . 16909 1 450 . 1 1 41 41 ASP HB2 H 1 3.024 0.020 . 2 . . . . 376 ASP HB2 . 16909 1 451 . 1 1 41 41 ASP HB3 H 1 2.605 0.020 . 2 . . . . 376 ASP HB3 . 16909 1 452 . 1 1 41 41 ASP CA C 13 56.726 0.400 . 1 . . . . 376 ASP CA . 16909 1 453 . 1 1 41 41 ASP CB C 13 41.431 0.400 . 1 . . . . 376 ASP CB . 16909 1 454 . 1 1 41 41 ASP N N 15 125.441 0.400 . 1 . . . . 376 ASP N . 16909 1 455 . 1 1 42 42 GLY H H 1 7.912 0.020 . 1 . . . . 377 GLY H . 16909 1 456 . 1 1 42 42 GLY HA2 H 1 4.032 0.020 . 2 . . . . 377 GLY HA2 . 16909 1 457 . 1 1 42 42 GLY HA3 H 1 3.641 0.020 . 2 . . . . 377 GLY HA3 . 16909 1 458 . 1 1 42 42 GLY CA C 13 46.403 0.400 . 1 . . . . 377 GLY CA . 16909 1 459 . 1 1 42 42 GLY N N 15 100.390 0.400 . 1 . . . . 377 GLY N . 16909 1 460 . 1 1 43 43 TRP H H 1 8.181 0.020 . 1 . . . . 378 TRP H . 16909 1 461 . 1 1 43 43 TRP HA H 1 5.087 0.020 . 1 . . . . 378 TRP HA . 16909 1 462 . 1 1 43 43 TRP HB2 H 1 3.407 0.020 . 2 . . . . 378 TRP HB2 . 16909 1 463 . 1 1 43 43 TRP HB3 H 1 3.304 0.020 . 2 . . . . 378 TRP HB3 . 16909 1 464 . 1 1 43 43 TRP HD1 H 1 7.229 0.020 . 1 . . . . 378 TRP HD1 . 16909 1 465 . 1 1 43 43 TRP HE1 H 1 9.969 0.020 . 1 . . . . 378 TRP HE1 . 16909 1 466 . 1 1 43 43 TRP HE3 H 1 7.226 0.020 . 1 . . . . 378 TRP HE3 . 16909 1 467 . 1 1 43 43 TRP HH2 H 1 7.311 0.020 . 1 . . . . 378 TRP HH2 . 16909 1 468 . 1 1 43 43 TRP HZ2 H 1 6.588 0.020 . 1 . . . . 378 TRP HZ2 . 16909 1 469 . 1 1 43 43 TRP HZ3 H 1 6.790 0.020 . 1 . . . . 378 TRP HZ3 . 16909 1 470 . 1 1 43 43 TRP CA C 13 57.389 0.400 . 1 . . . . 378 TRP CA . 16909 1 471 . 1 1 43 43 TRP CB C 13 33.295 0.400 . 1 . . . . 378 TRP CB . 16909 1 472 . 1 1 43 43 TRP CD1 C 13 130.682 0.400 . 1 . . . . 378 TRP CD1 . 16909 1 473 . 1 1 43 43 TRP CE3 C 13 119.912 0.400 . 1 . . . . 378 TRP CE3 . 16909 1 474 . 1 1 43 43 TRP CH2 C 13 124.806 0.400 . 1 . . . . 378 TRP CH2 . 16909 1 475 . 1 1 43 43 TRP CZ2 C 13 116.212 0.400 . 1 . . . . 378 TRP CZ2 . 16909 1 476 . 1 1 43 43 TRP CZ3 C 13 121.499 0.400 . 1 . . . . 378 TRP CZ3 . 16909 1 477 . 1 1 43 43 TRP N N 15 122.138 0.400 . 1 . . . . 378 TRP N . 16909 1 478 . 1 1 43 43 TRP NE1 N 15 130.058 0.400 . 1 . . . . 378 TRP NE1 . 16909 1 479 . 1 1 44 44 LEU H H 1 9.052 0.020 . 1 . . . . 379 LEU H . 16909 1 480 . 1 1 44 44 LEU HA H 1 4.796 0.020 . 1 . . . . 379 LEU HA . 16909 1 481 . 1 1 44 44 LEU HB2 H 1 0.601 0.020 . 2 . . . . 379 LEU HB2 . 16909 1 482 . 1 1 44 44 LEU HB3 H 1 0.915 0.020 . 2 . . . . 379 LEU HB3 . 16909 1 483 . 1 1 44 44 LEU HD11 H 1 0.855 0.020 . 2 . . . . 379 LEU HD1 . 16909 1 484 . 1 1 44 44 LEU HD12 H 1 0.855 0.020 . 2 . . . . 379 LEU HD1 . 16909 1 485 . 1 1 44 44 LEU HD13 H 1 0.855 0.020 . 2 . . . . 379 LEU HD1 . 16909 1 486 . 1 1 44 44 LEU HD21 H 1 0.887 0.020 . 2 . . . . 379 LEU HD2 . 16909 1 487 . 1 1 44 44 LEU HD22 H 1 0.887 0.020 . 2 . . . . 379 LEU HD2 . 16909 1 488 . 1 1 44 44 LEU HD23 H 1 0.887 0.020 . 2 . . . . 379 LEU HD2 . 16909 1 489 . 1 1 44 44 LEU HG H 1 1.305 0.020 . 1 . . . . 379 LEU HG . 16909 1 490 . 1 1 44 44 LEU CA C 13 54.105 0.400 . 1 . . . . 379 LEU CA . 16909 1 491 . 1 1 44 44 LEU CB C 13 49.000 0.400 . 1 . . . . 379 LEU CB . 16909 1 492 . 1 1 44 44 LEU CD1 C 13 27.135 0.400 . 1 . . . . 379 LEU CD1 . 16909 1 493 . 1 1 44 44 LEU CD2 C 13 24.054 0.400 . 1 . . . . 379 LEU CD2 . 16909 1 494 . 1 1 44 44 LEU CG C 13 28.827 0.400 . 1 . . . . 379 LEU CG . 16909 1 495 . 1 1 44 44 LEU N N 15 120.617 0.400 . 1 . . . . 379 LEU N . 16909 1 496 . 1 1 45 45 TYR H H 1 6.869 0.020 . 1 . . . . 380 TYR H . 16909 1 497 . 1 1 45 45 TYR HA H 1 4.595 0.020 . 1 . . . . 380 TYR HA . 16909 1 498 . 1 1 45 45 TYR HB2 H 1 1.831 0.020 . 2 . . . . 380 TYR HB2 . 16909 1 499 . 1 1 45 45 TYR HB3 H 1 0.210 0.020 . 2 . . . . 380 TYR HB3 . 16909 1 500 . 1 1 45 45 TYR HD1 H 1 5.606 0.020 . 1 . . . . 380 TYR HD1 . 16909 1 501 . 1 1 45 45 TYR HD2 H 1 5.606 0.020 . 1 . . . . 380 TYR HD2 . 16909 1 502 . 1 1 45 45 TYR HE1 H 1 6.345 0.020 . 1 . . . . 380 TYR HE1 . 16909 1 503 . 1 1 45 45 TYR HE2 H 1 6.345 0.020 . 1 . . . . 380 TYR HE2 . 16909 1 504 . 1 1 45 45 TYR CA C 13 57.330 0.400 . 1 . . . . 380 TYR CA . 16909 1 505 . 1 1 45 45 TYR CB C 13 41.254 0.400 . 1 . . . . 380 TYR CB . 16909 1 506 . 1 1 45 45 TYR CD1 C 13 133.915 0.400 . 1 . . . . 380 TYR CD1 . 16909 1 507 . 1 1 45 45 TYR CE1 C 13 118.190 0.400 . 1 . . . . 380 TYR CE1 . 16909 1 508 . 1 1 45 45 TYR N N 15 117.852 0.400 . 1 . . . . 380 TYR N . 16909 1 509 . 1 1 46 46 GLY H H 1 7.701 0.020 . 1 . . . . 381 GLY H . 16909 1 510 . 1 1 46 46 GLY HA2 H 1 4.345 0.020 . 2 . . . . 381 GLY HA2 . 16909 1 511 . 1 1 46 46 GLY HA3 H 1 3.800 0.020 . 2 . . . . 381 GLY HA3 . 16909 1 512 . 1 1 46 46 GLY CA C 13 47.004 0.400 . 1 . . . . 381 GLY CA . 16909 1 513 . 1 1 46 46 GLY N N 15 111.714 0.400 . 1 . . . . 381 GLY N . 16909 1 514 . 1 1 47 47 GLU H H 1 8.889 0.020 . 1 . . . . 382 GLU H . 16909 1 515 . 1 1 47 47 GLU HA H 1 5.172 0.020 . 1 . . . . 382 GLU HA . 16909 1 516 . 1 1 47 47 GLU HB2 H 1 1.942 0.020 . 2 . . . . 382 GLU HB2 . 16909 1 517 . 1 1 47 47 GLU HB3 H 1 1.718 0.020 . 2 . . . . 382 GLU HB3 . 16909 1 518 . 1 1 47 47 GLU HG2 H 1 1.897 0.020 . 2 . . . . 382 GLU HG2 . 16909 1 519 . 1 1 47 47 GLU HG3 H 1 1.897 0.020 . 2 . . . . 382 GLU HG3 . 16909 1 520 . 1 1 47 47 GLU CA C 13 54.195 0.400 . 1 . . . . 382 GLU CA . 16909 1 521 . 1 1 47 47 GLU CB C 13 36.712 0.400 . 1 . . . . 382 GLU CB . 16909 1 522 . 1 1 47 47 GLU CG C 13 38.909 0.400 . 1 . . . . 382 GLU CG . 16909 1 523 . 1 1 47 47 GLU N N 15 117.721 0.400 . 1 . . . . 382 GLU N . 16909 1 524 . 1 1 48 48 HIS H H 1 9.317 0.020 . 1 . . . . 383 HIS H . 16909 1 525 . 1 1 48 48 HIS HA H 1 4.101 0.020 . 1 . . . . 383 HIS HA . 16909 1 526 . 1 1 48 48 HIS HB2 H 1 3.685 0.020 . 2 . . . . 383 HIS HB2 . 16909 1 527 . 1 1 48 48 HIS HB3 H 1 2.928 0.020 . 2 . . . . 383 HIS HB3 . 16909 1 528 . 1 1 48 48 HIS HD2 H 1 7.077 0.020 . 1 . . . . 383 HIS HD2 . 16909 1 529 . 1 1 48 48 HIS HE1 H 1 7.862 0.020 . 1 . . . . 383 HIS HE1 . 16909 1 530 . 1 1 48 48 HIS CA C 13 59.794 0.400 . 1 . . . . 383 HIS CA . 16909 1 531 . 1 1 48 48 HIS CB C 13 34.116 0.400 . 1 . . . . 383 HIS CB . 16909 1 532 . 1 1 48 48 HIS CD2 C 13 118.111 0.400 . 1 . . . . 383 HIS CD2 . 16909 1 533 . 1 1 48 48 HIS CE1 C 13 141.131 0.400 . 1 . . . . 383 HIS CE1 . 16909 1 534 . 1 1 48 48 HIS N N 15 128.779 0.400 . 1 . . . . 383 HIS N . 16909 1 535 . 1 1 49 49 ASP H H 1 8.361 0.020 . 1 . . . . 384 ASP H . 16909 1 536 . 1 1 49 49 ASP HA H 1 4.512 0.020 . 1 . . . . 384 ASP HA . 16909 1 537 . 1 1 49 49 ASP HB2 H 1 2.553 0.020 . 2 . . . . 384 ASP HB2 . 16909 1 538 . 1 1 49 49 ASP HB3 H 1 2.553 0.020 . 2 . . . . 384 ASP HB3 . 16909 1 539 . 1 1 49 49 ASP CA C 13 59.026 0.400 . 1 . . . . 384 ASP CA . 16909 1 540 . 1 1 49 49 ASP CB C 13 41.112 0.400 . 1 . . . . 384 ASP CB . 16909 1 541 . 1 1 49 49 ASP N N 15 127.935 0.400 . 1 . . . . 384 ASP N . 16909 1 542 . 1 1 50 50 VAL H H 1 9.365 0.020 . 1 . . . . 385 VAL H . 16909 1 543 . 1 1 50 50 VAL HA H 1 4.236 0.020 . 1 . . . . 385 VAL HA . 16909 1 544 . 1 1 50 50 VAL HB H 1 2.213 0.020 . 1 . . . . 385 VAL HB . 16909 1 545 . 1 1 50 50 VAL HG11 H 1 1.095 0.020 . 2 . . . . 385 VAL HG1 . 16909 1 546 . 1 1 50 50 VAL HG12 H 1 1.095 0.020 . 2 . . . . 385 VAL HG1 . 16909 1 547 . 1 1 50 50 VAL HG13 H 1 1.095 0.020 . 2 . . . . 385 VAL HG1 . 16909 1 548 . 1 1 50 50 VAL HG21 H 1 0.992 0.020 . 2 . . . . 385 VAL HG2 . 16909 1 549 . 1 1 50 50 VAL HG22 H 1 0.992 0.020 . 2 . . . . 385 VAL HG2 . 16909 1 550 . 1 1 50 50 VAL HG23 H 1 0.992 0.020 . 2 . . . . 385 VAL HG2 . 16909 1 551 . 1 1 50 50 VAL CA C 13 66.059 0.400 . 1 . . . . 385 VAL CA . 16909 1 552 . 1 1 50 50 VAL CB C 13 34.614 0.400 . 1 . . . . 385 VAL CB . 16909 1 553 . 1 1 50 50 VAL CG1 C 13 23.155 0.400 . 1 . . . . 385 VAL CG1 . 16909 1 554 . 1 1 50 50 VAL CG2 C 13 22.320 0.400 . 1 . . . . 385 VAL CG2 . 16909 1 555 . 1 1 50 50 VAL N N 15 119.931 0.400 . 1 . . . . 385 VAL N . 16909 1 556 . 1 1 51 51 SER H H 1 9.370 0.020 . 1 . . . . 386 SER H . 16909 1 557 . 1 1 51 51 SER HA H 1 4.241 0.020 . 1 . . . . 386 SER HA . 16909 1 558 . 1 1 51 51 SER HB2 H 1 3.994 0.020 . 2 . . . . 386 SER HB2 . 16909 1 559 . 1 1 51 51 SER HB3 H 1 3.630 0.020 . 2 . . . . 386 SER HB3 . 16909 1 560 . 1 1 51 51 SER CA C 13 60.926 0.400 . 1 . . . . 386 SER CA . 16909 1 561 . 1 1 51 51 SER CB C 13 65.289 0.400 . 1 . . . . 386 SER CB . 16909 1 562 . 1 1 51 51 SER N N 15 117.378 0.400 . 1 . . . . 386 SER N . 16909 1 563 . 1 1 52 52 LYS H H 1 8.218 0.020 . 1 . . . . 387 LYS H . 16909 1 564 . 1 1 52 52 LYS HA H 1 4.216 0.020 . 1 . . . . 387 LYS HA . 16909 1 565 . 1 1 52 52 LYS HB2 H 1 2.325 0.020 . 2 . . . . 387 LYS HB2 . 16909 1 566 . 1 1 52 52 LYS HB3 H 1 2.042 0.020 . 2 . . . . 387 LYS HB3 . 16909 1 567 . 1 1 52 52 LYS HD2 H 1 1.719 0.020 . 2 . . . . 387 LYS HD2 . 16909 1 568 . 1 1 52 52 LYS HD3 H 1 1.506 0.020 . 2 . . . . 387 LYS HD3 . 16909 1 569 . 1 1 52 52 LYS HE2 H 1 2.999 0.020 . 2 . . . . 387 LYS HE2 . 16909 1 570 . 1 1 52 52 LYS HE3 H 1 2.960 0.020 . 2 . . . . 387 LYS HE3 . 16909 1 571 . 1 1 52 52 LYS HG2 H 1 1.433 0.020 . 2 . . . . 387 LYS HG2 . 16909 1 572 . 1 1 52 52 LYS HG3 H 1 1.281 0.020 . 2 . . . . 387 LYS HG3 . 16909 1 573 . 1 1 52 52 LYS CA C 13 58.083 0.400 . 1 . . . . 387 LYS CA . 16909 1 574 . 1 1 52 52 LYS CB C 13 30.024 0.400 . 1 . . . . 387 LYS CB . 16909 1 575 . 1 1 52 52 LYS CD C 13 29.185 0.400 . 1 . . . . 387 LYS CD . 16909 1 576 . 1 1 52 52 LYS CE C 13 44.016 0.400 . 1 . . . . 387 LYS CE . 16909 1 577 . 1 1 52 52 LYS CG C 13 25.589 0.400 . 1 . . . . 387 LYS CG . 16909 1 578 . 1 1 52 52 LYS N N 15 113.882 0.400 . 1 . . . . 387 LYS N . 16909 1 579 . 1 1 53 53 ALA H H 1 7.933 0.020 . 1 . . . . 388 ALA H . 16909 1 580 . 1 1 53 53 ALA HA H 1 4.371 0.020 . 1 . . . . 388 ALA HA . 16909 1 581 . 1 1 53 53 ALA HB1 H 1 1.384 0.020 . 1 . . . . 388 ALA HB . 16909 1 582 . 1 1 53 53 ALA HB2 H 1 1.384 0.020 . 1 . . . . 388 ALA HB . 16909 1 583 . 1 1 53 53 ALA HB3 H 1 1.384 0.020 . 1 . . . . 388 ALA HB . 16909 1 584 . 1 1 53 53 ALA CA C 13 53.659 0.400 . 1 . . . . 388 ALA CA . 16909 1 585 . 1 1 53 53 ALA CB C 13 20.532 0.400 . 1 . . . . 388 ALA CB . 16909 1 586 . 1 1 53 53 ALA N N 15 121.632 0.400 . 1 . . . . 388 ALA N . 16909 1 587 . 1 1 54 54 ARG H H 1 8.447 0.020 . 1 . . . . 389 ARG H . 16909 1 588 . 1 1 54 54 ARG HA H 1 5.717 0.020 . 1 . . . . 389 ARG HA . 16909 1 589 . 1 1 54 54 ARG HB2 H 1 1.645 0.020 . 2 . . . . 389 ARG HB2 . 16909 1 590 . 1 1 54 54 ARG HB3 H 1 1.518 0.020 . 2 . . . . 389 ARG HB3 . 16909 1 591 . 1 1 54 54 ARG HD2 H 1 3.184 0.020 . 2 . . . . 389 ARG HD2 . 16909 1 592 . 1 1 54 54 ARG HD3 H 1 2.965 0.020 . 2 . . . . 389 ARG HD3 . 16909 1 593 . 1 1 54 54 ARG HG2 H 1 1.850 0.020 . 2 . . . . 389 ARG HG2 . 16909 1 594 . 1 1 54 54 ARG HG3 H 1 1.307 0.020 . 2 . . . . 389 ARG HG3 . 16909 1 595 . 1 1 54 54 ARG CA C 13 55.184 0.400 . 1 . . . . 389 ARG CA . 16909 1 596 . 1 1 54 54 ARG CB C 13 35.604 0.400 . 1 . . . . 389 ARG CB . 16909 1 597 . 1 1 54 54 ARG CD C 13 45.333 0.400 . 1 . . . . 389 ARG CD . 16909 1 598 . 1 1 54 54 ARG CG C 13 29.128 0.400 . 1 . . . . 389 ARG CG . 16909 1 599 . 1 1 54 54 ARG N N 15 116.079 0.400 . 1 . . . . 389 ARG N . 16909 1 600 . 1 1 55 55 GLY H H 1 7.854 0.020 . 1 . . . . 390 GLY H . 16909 1 601 . 1 1 55 55 GLY HA2 H 1 3.968 0.020 . 2 . . . . 390 GLY HA2 . 16909 1 602 . 1 1 55 55 GLY HA3 H 1 3.907 0.020 . 2 . . . . 390 GLY HA3 . 16909 1 603 . 1 1 55 55 GLY CA C 13 47.014 0.400 . 1 . . . . 390 GLY CA . 16909 1 604 . 1 1 55 55 GLY N N 15 106.012 0.400 . 1 . . . . 390 GLY N . 16909 1 605 . 1 1 56 56 TRP H H 1 9.341 0.020 . 1 . . . . 391 TRP H . 16909 1 606 . 1 1 56 56 TRP HA H 1 5.973 0.020 . 1 . . . . 391 TRP HA . 16909 1 607 . 1 1 56 56 TRP HB2 H 1 3.077 0.020 . 2 . . . . 391 TRP HB2 . 16909 1 608 . 1 1 56 56 TRP HB3 H 1 2.887 0.020 . 2 . . . . 391 TRP HB3 . 16909 1 609 . 1 1 56 56 TRP HD1 H 1 7.284 0.020 . 1 . . . . 391 TRP HD1 . 16909 1 610 . 1 1 56 56 TRP HE1 H 1 9.495 0.020 . 1 . . . . 391 TRP HE1 . 16909 1 611 . 1 1 56 56 TRP HE3 H 1 7.538 0.020 . 1 . . . . 391 TRP HE3 . 16909 1 612 . 1 1 56 56 TRP HH2 H 1 7.018 0.020 . 1 . . . . 391 TRP HH2 . 16909 1 613 . 1 1 56 56 TRP HZ2 H 1 7.248 0.020 . 1 . . . . 391 TRP HZ2 . 16909 1 614 . 1 1 56 56 TRP HZ3 H 1 6.935 0.020 . 1 . . . . 391 TRP HZ3 . 16909 1 615 . 1 1 56 56 TRP CA C 13 57.996 0.400 . 1 . . . . 391 TRP CA . 16909 1 616 . 1 1 56 56 TRP CB C 13 32.694 0.400 . 1 . . . . 391 TRP CB . 16909 1 617 . 1 1 56 56 TRP CD1 C 13 127.834 0.400 . 1 . . . . 391 TRP CD1 . 16909 1 618 . 1 1 56 56 TRP CE3 C 13 122.830 0.400 . 1 . . . . 391 TRP CE3 . 16909 1 619 . 1 1 56 56 TRP CH2 C 13 125.837 0.400 . 1 . . . . 391 TRP CH2 . 16909 1 620 . 1 1 56 56 TRP CZ2 C 13 116.450 0.400 . 1 . . . . 391 TRP CZ2 . 16909 1 621 . 1 1 56 56 TRP CZ3 C 13 122.826 0.400 . 1 . . . . 391 TRP CZ3 . 16909 1 622 . 1 1 56 56 TRP N N 15 119.142 0.400 . 1 . . . . 391 TRP N . 16909 1 623 . 1 1 56 56 TRP NE1 N 15 131.009 0.400 . 1 . . . . 391 TRP NE1 . 16909 1 624 . 1 1 57 57 PHE H H 1 9.673 0.020 . 1 . . . . 392 PHE H . 16909 1 625 . 1 1 57 57 PHE HA H 1 5.258 0.020 . 1 . . . . 392 PHE HA . 16909 1 626 . 1 1 57 57 PHE HB2 H 1 3.462 0.020 . 2 . . . . 392 PHE HB2 . 16909 1 627 . 1 1 57 57 PHE HB3 H 1 2.812 0.020 . 2 . . . . 392 PHE HB3 . 16909 1 628 . 1 1 57 57 PHE HD1 H 1 6.881 0.020 . 1 . . . . 392 PHE HD1 . 16909 1 629 . 1 1 57 57 PHE HD2 H 1 6.881 0.020 . 1 . . . . 392 PHE HD2 . 16909 1 630 . 1 1 57 57 PHE HE1 H 1 6.700 0.020 . 1 . . . . 392 PHE HE1 . 16909 1 631 . 1 1 57 57 PHE HE2 H 1 6.700 0.020 . 1 . . . . 392 PHE HE2 . 16909 1 632 . 1 1 57 57 PHE CA C 13 56.852 0.400 . 1 . . . . 392 PHE CA . 16909 1 633 . 1 1 57 57 PHE CB C 13 40.240 0.400 . 1 . . . . 392 PHE CB . 16909 1 634 . 1 1 57 57 PHE CD1 C 13 129.163 0.400 . 1 . . . . 392 PHE CD1 . 16909 1 635 . 1 1 57 57 PHE CE1 C 13 130.470 0.400 . 1 . . . . 392 PHE CE1 . 16909 1 636 . 1 1 57 57 PHE N N 15 115.607 0.400 . 1 . . . . 392 PHE N . 16909 1 637 . 1 1 58 58 PRO HA H 1 4.121 0.020 . 1 . . . . 393 PRO HA . 16909 1 638 . 1 1 58 58 PRO HB2 H 1 1.633 0.020 . 2 . . . . 393 PRO HB2 . 16909 1 639 . 1 1 58 58 PRO HB3 H 1 1.633 0.020 . 2 . . . . 393 PRO HB3 . 16909 1 640 . 1 1 58 58 PRO HD2 H 1 2.841 0.020 . 2 . . . . 393 PRO HD2 . 16909 1 641 . 1 1 58 58 PRO HD3 H 1 2.550 0.020 . 2 . . . . 393 PRO HD3 . 16909 1 642 . 1 1 58 58 PRO HG2 H 1 0.832 0.020 . 2 . . . . 393 PRO HG2 . 16909 1 643 . 1 1 58 58 PRO HG3 H 1 0.832 0.020 . 2 . . . . 393 PRO HG3 . 16909 1 644 . 1 1 58 58 PRO CA C 13 62.861 0.400 . 1 . . . . 393 PRO CA . 16909 1 645 . 1 1 58 58 PRO CB C 13 32.993 0.400 . 1 . . . . 393 PRO CB . 16909 1 646 . 1 1 58 58 PRO CD C 13 51.671 0.400 . 1 . . . . 393 PRO CD . 16909 1 647 . 1 1 58 58 PRO CG C 13 28.813 0.400 . 1 . . . . 393 PRO CG . 16909 1 648 . 1 1 59 59 SER H H 1 8.898 0.020 . 1 . . . . 394 SER H . 16909 1 649 . 1 1 59 59 SER HA H 1 3.955 0.020 . 1 . . . . 394 SER HA . 16909 1 650 . 1 1 59 59 SER HB2 H 1 3.772 0.020 . 2 . . . . 394 SER HB2 . 16909 1 651 . 1 1 59 59 SER HB3 H 1 3.616 0.020 . 2 . . . . 394 SER HB3 . 16909 1 652 . 1 1 59 59 SER CA C 13 62.309 0.400 . 1 . . . . 394 SER CA . 16909 1 653 . 1 1 59 59 SER CB C 13 63.846 0.400 . 1 . . . . 394 SER CB . 16909 1 654 . 1 1 59 59 SER N N 15 123.429 0.400 . 1 . . . . 394 SER N . 16909 1 655 . 1 1 60 60 SER H H 1 9.004 0.020 . 1 . . . . 395 SER H . 16909 1 656 . 1 1 60 60 SER HA H 1 4.410 0.020 . 1 . . . . 395 SER HA . 16909 1 657 . 1 1 60 60 SER HB2 H 1 4.141 0.020 . 2 . . . . 395 SER HB2 . 16909 1 658 . 1 1 60 60 SER HB3 H 1 4.093 0.020 . 2 . . . . 395 SER HB3 . 16909 1 659 . 1 1 60 60 SER CA C 13 61.529 0.400 . 1 . . . . 395 SER CA . 16909 1 660 . 1 1 60 60 SER CB C 13 64.427 0.400 . 1 . . . . 395 SER CB . 16909 1 661 . 1 1 60 60 SER N N 15 115.709 0.400 . 1 . . . . 395 SER N . 16909 1 662 . 1 1 61 61 TYR H H 1 7.881 0.020 . 1 . . . . 396 TYR H . 16909 1 663 . 1 1 61 61 TYR HA H 1 4.969 0.020 . 1 . . . . 396 TYR HA . 16909 1 664 . 1 1 61 61 TYR HB2 H 1 4.062 0.020 . 2 . . . . 396 TYR HB2 . 16909 1 665 . 1 1 61 61 TYR HB3 H 1 3.630 0.020 . 2 . . . . 396 TYR HB3 . 16909 1 666 . 1 1 61 61 TYR HD1 H 1 7.459 0.020 . 1 . . . . 396 TYR HD1 . 16909 1 667 . 1 1 61 61 TYR HD2 H 1 7.459 0.020 . 1 . . . . 396 TYR HD2 . 16909 1 668 . 1 1 61 61 TYR HE1 H 1 6.845 0.020 . 1 . . . . 396 TYR HE1 . 16909 1 669 . 1 1 61 61 TYR HE2 H 1 6.845 0.020 . 1 . . . . 396 TYR HE2 . 16909 1 670 . 1 1 61 61 TYR CA C 13 59.007 0.400 . 1 . . . . 396 TYR CA . 16909 1 671 . 1 1 61 61 TYR CB C 13 37.760 0.400 . 1 . . . . 396 TYR CB . 16909 1 672 . 1 1 61 61 TYR CD1 C 13 133.486 0.400 . 1 . . . . 396 TYR CD1 . 16909 1 673 . 1 1 61 61 TYR CE1 C 13 119.715 0.400 . 1 . . . . 396 TYR CE1 . 16909 1 674 . 1 1 61 61 TYR N N 15 121.494 0.400 . 1 . . . . 396 TYR N . 16909 1 675 . 1 1 62 62 THR H H 1 8.432 0.020 . 1 . . . . 397 THR H . 16909 1 676 . 1 1 62 62 THR HA H 1 5.295 0.020 . 1 . . . . 397 THR HA . 16909 1 677 . 1 1 62 62 THR HB H 1 3.819 0.020 . 1 . . . . 397 THR HB . 16909 1 678 . 1 1 62 62 THR HG21 H 1 0.955 0.020 . 1 . . . . 397 THR HG2 . 16909 1 679 . 1 1 62 62 THR HG22 H 1 0.955 0.020 . 1 . . . . 397 THR HG2 . 16909 1 680 . 1 1 62 62 THR HG23 H 1 0.955 0.020 . 1 . . . . 397 THR HG2 . 16909 1 681 . 1 1 62 62 THR CA C 13 62.184 0.400 . 1 . . . . 397 THR CA . 16909 1 682 . 1 1 62 62 THR CB C 13 74.617 0.400 . 1 . . . . 397 THR CB . 16909 1 683 . 1 1 62 62 THR CG2 C 13 24.692 0.400 . 1 . . . . 397 THR CG2 . 16909 1 684 . 1 1 62 62 THR N N 15 110.016 0.400 . 1 . . . . 397 THR N . 16909 1 685 . 1 1 63 63 LYS H H 1 8.882 0.020 . 1 . . . . 398 LYS H . 16909 1 686 . 1 1 63 63 LYS HA H 1 4.781 0.020 . 1 . . . . 398 LYS HA . 16909 1 687 . 1 1 63 63 LYS HB2 H 1 1.742 0.020 . 2 . . . . 398 LYS HB2 . 16909 1 688 . 1 1 63 63 LYS HB3 H 1 1.742 0.020 . 2 . . . . 398 LYS HB3 . 16909 1 689 . 1 1 63 63 LYS HD2 H 1 1.681 0.020 . 2 . . . . 398 LYS HD2 . 16909 1 690 . 1 1 63 63 LYS HD3 H 1 1.681 0.020 . 2 . . . . 398 LYS HD3 . 16909 1 691 . 1 1 63 63 LYS HE2 H 1 2.923 0.020 . 2 . . . . 398 LYS HE2 . 16909 1 692 . 1 1 63 63 LYS HE3 H 1 2.923 0.020 . 2 . . . . 398 LYS HE3 . 16909 1 693 . 1 1 63 63 LYS HG2 H 1 1.385 0.020 . 2 . . . . 398 LYS HG2 . 16909 1 694 . 1 1 63 63 LYS HG3 H 1 1.385 0.020 . 2 . . . . 398 LYS HG3 . 16909 1 695 . 1 1 63 63 LYS CA C 13 55.683 0.400 . 1 . . . . 398 LYS CA . 16909 1 696 . 1 1 63 63 LYS CB C 13 37.669 0.400 . 1 . . . . 398 LYS CB . 16909 1 697 . 1 1 63 63 LYS CD C 13 30.532 0.400 . 1 . . . . 398 LYS CD . 16909 1 698 . 1 1 63 63 LYS CE C 13 43.416 0.400 . 1 . . . . 398 LYS CE . 16909 1 699 . 1 1 63 63 LYS CG C 13 25.389 0.400 . 1 . . . . 398 LYS CG . 16909 1 700 . 1 1 63 63 LYS N N 15 117.288 0.400 . 1 . . . . 398 LYS N . 16909 1 701 . 1 1 64 64 LEU H H 1 8.558 0.020 . 1 . . . . 399 LEU H . 16909 1 702 . 1 1 64 64 LEU HA H 1 4.255 0.020 . 1 . . . . 399 LEU HA . 16909 1 703 . 1 1 64 64 LEU HB2 H 1 1.619 0.020 . 2 . . . . 399 LEU HB2 . 16909 1 704 . 1 1 64 64 LEU HB3 H 1 1.619 0.020 . 2 . . . . 399 LEU HB3 . 16909 1 705 . 1 1 64 64 LEU HD11 H 1 0.851 0.020 . 2 . . . . 399 LEU HD1 . 16909 1 706 . 1 1 64 64 LEU HD12 H 1 0.851 0.020 . 2 . . . . 399 LEU HD1 . 16909 1 707 . 1 1 64 64 LEU HD13 H 1 0.851 0.020 . 2 . . . . 399 LEU HD1 . 16909 1 708 . 1 1 64 64 LEU HD21 H 1 0.885 0.020 . 2 . . . . 399 LEU HD2 . 16909 1 709 . 1 1 64 64 LEU HD22 H 1 0.885 0.020 . 2 . . . . 399 LEU HD2 . 16909 1 710 . 1 1 64 64 LEU HD23 H 1 0.885 0.020 . 2 . . . . 399 LEU HD2 . 16909 1 711 . 1 1 64 64 LEU HG H 1 1.561 0.020 . 1 . . . . 399 LEU HG . 16909 1 712 . 1 1 64 64 LEU CA C 13 57.918 0.400 . 1 . . . . 399 LEU CA . 16909 1 713 . 1 1 64 64 LEU CB C 13 43.703 0.400 . 1 . . . . 399 LEU CB . 16909 1 714 . 1 1 64 64 LEU CD1 C 13 26.034 0.400 . 1 . . . . 399 LEU CD1 . 16909 1 715 . 1 1 64 64 LEU CD2 C 13 25.462 0.400 . 1 . . . . 399 LEU CD2 . 16909 1 716 . 1 1 64 64 LEU CG C 13 28.407 0.400 . 1 . . . . 399 LEU CG . 16909 1 717 . 1 1 64 64 LEU N N 15 123.201 0.400 . 1 . . . . 399 LEU N . 16909 1 718 . 1 1 65 65 LEU H H 1 8.272 0.020 . 1 . . . . 400 LEU H . 16909 1 719 . 1 1 65 65 LEU HA H 1 4.351 0.020 . 1 . . . . 400 LEU HA . 16909 1 720 . 1 1 65 65 LEU HB2 H 1 1.622 0.020 . 2 . . . . 400 LEU HB2 . 16909 1 721 . 1 1 65 65 LEU HB3 H 1 1.326 0.020 . 2 . . . . 400 LEU HB3 . 16909 1 722 . 1 1 65 65 LEU HD11 H 1 0.844 0.020 . 2 . . . . 400 LEU HD1 . 16909 1 723 . 1 1 65 65 LEU HD12 H 1 0.844 0.020 . 2 . . . . 400 LEU HD1 . 16909 1 724 . 1 1 65 65 LEU HD13 H 1 0.844 0.020 . 2 . . . . 400 LEU HD1 . 16909 1 725 . 1 1 65 65 LEU HD21 H 1 0.844 0.020 . 2 . . . . 400 LEU HD2 . 16909 1 726 . 1 1 65 65 LEU HD22 H 1 0.844 0.020 . 2 . . . . 400 LEU HD2 . 16909 1 727 . 1 1 65 65 LEU HD23 H 1 0.844 0.020 . 2 . . . . 400 LEU HD2 . 16909 1 728 . 1 1 65 65 LEU HG H 1 1.575 0.020 . 1 . . . . 400 LEU HG . 16909 1 729 . 1 1 65 65 LEU CA C 13 56.427 0.400 . 1 . . . . 400 LEU CA . 16909 1 730 . 1 1 65 65 LEU CB C 13 43.827 0.400 . 1 . . . . 400 LEU CB . 16909 1 731 . 1 1 65 65 LEU CD2 C 13 26.505 0.400 . 1 . . . . 400 LEU CD2 . 16909 1 732 . 1 1 65 65 LEU CG C 13 28.428 0.400 . 1 . . . . 400 LEU CG . 16909 1 733 . 1 1 65 65 LEU N N 15 124.984 0.400 . 1 . . . . 400 LEU N . 16909 1 734 . 1 1 66 66 GLU H H 1 7.983 0.020 . 1 . . . . 401 GLU H . 16909 1 735 . 1 1 66 66 GLU HA H 1 4.182 0.020 . 1 . . . . 401 GLU HA . 16909 1 736 . 1 1 66 66 GLU HB2 H 1 2.063 0.020 . 2 . . . . 401 GLU HB2 . 16909 1 737 . 1 1 66 66 GLU HB3 H 1 1.898 0.020 . 2 . . . . 401 GLU HB3 . 16909 1 738 . 1 1 66 66 GLU HG2 H 1 2.192 0.020 . 2 . . . . 401 GLU HG2 . 16909 1 739 . 1 1 66 66 GLU HG3 H 1 2.192 0.020 . 2 . . . . 401 GLU HG3 . 16909 1 740 . 1 1 66 66 GLU CA C 13 59.173 0.400 . 1 . . . . 401 GLU CA . 16909 1 741 . 1 1 66 66 GLU CB C 13 32.697 0.400 . 1 . . . . 401 GLU CB . 16909 1 742 . 1 1 66 66 GLU CG C 13 38.071 0.400 . 1 . . . . 401 GLU CG . 16909 1 743 . 1 1 66 66 GLU N N 15 127.903 0.400 . 1 . . . . 401 GLU N . 16909 1 744 . 2 2 1 1 HIS H H 1 8.195 0.020 . 1 . . . . 526 HIS H . 16909 1 745 . 2 2 1 1 HIS HA H 1 4.527 0.020 . 1 . . . . 526 HIS HA . 16909 1 746 . 2 2 1 1 HIS HB2 H 1 3.022 0.020 . 2 . . . . 526 HIS HB2 . 16909 1 747 . 2 2 1 1 HIS HB3 H 1 3.022 0.020 . 2 . . . . 526 HIS HB3 . 16909 1 748 . 2 2 1 1 HIS CA C 13 57.258 0.400 . 1 . . . . 526 HIS CA . 16909 1 749 . 2 2 1 1 HIS CB C 13 31.901 0.400 . 1 . . . . 526 HIS CB . 16909 1 750 . 2 2 1 1 HIS N N 15 119.734 0.400 . 1 . . . . 526 HIS N . 16909 1 751 . 2 2 2 2 ILE H H 1 7.906 0.020 . 1 . . . . 527 ILE H . 16909 1 752 . 2 2 2 2 ILE HA H 1 4.090 0.020 . 1 . . . . 527 ILE HA . 16909 1 753 . 2 2 2 2 ILE HB H 1 1.463 0.020 . 1 . . . . 527 ILE HB . 16909 1 754 . 2 2 2 2 ILE HD11 H 1 0.503 0.020 . 1 . . . . 527 ILE HD1 . 16909 1 755 . 2 2 2 2 ILE HD12 H 1 0.503 0.020 . 1 . . . . 527 ILE HD1 . 16909 1 756 . 2 2 2 2 ILE HD13 H 1 0.503 0.020 . 1 . . . . 527 ILE HD1 . 16909 1 757 . 2 2 2 2 ILE HG12 H 1 1.285 0.020 . 2 . . . . 527 ILE HG12 . 16909 1 758 . 2 2 2 2 ILE HG13 H 1 0.731 0.020 . 2 . . . . 527 ILE HG13 . 16909 1 759 . 2 2 2 2 ILE HG21 H 1 0.149 0.020 . 1 . . . . 527 ILE HG2 . 16909 1 760 . 2 2 2 2 ILE HG22 H 1 0.149 0.020 . 1 . . . . 527 ILE HG2 . 16909 1 761 . 2 2 2 2 ILE HG23 H 1 0.149 0.020 . 1 . . . . 527 ILE HG2 . 16909 1 762 . 2 2 2 2 ILE CA C 13 59.546 0.400 . 1 . . . . 527 ILE CA . 16909 1 763 . 2 2 2 2 ILE CB C 13 39.561 0.400 . 1 . . . . 527 ILE CB . 16909 1 764 . 2 2 2 2 ILE CD1 C 13 13.705 0.400 . 1 . . . . 527 ILE CD1 . 16909 1 765 . 2 2 2 2 ILE CG1 C 13 27.780 0.400 . 1 . . . . 527 ILE CG1 . 16909 1 766 . 2 2 2 2 ILE CG2 C 13 16.048 0.400 . 1 . . . . 527 ILE CG2 . 16909 1 767 . 2 2 2 2 ILE N N 15 124.860 0.400 . 1 . . . . 527 ILE N . 16909 1 768 . 2 2 3 3 PRO HA H 1 4.707 0.020 . 1 . . . . 528 PRO HA . 16909 1 769 . 2 2 3 3 PRO HB2 H 1 2.510 0.020 . 2 . . . . 528 PRO HB2 . 16909 1 770 . 2 2 3 3 PRO HB3 H 1 2.043 0.020 . 2 . . . . 528 PRO HB3 . 16909 1 771 . 2 2 3 3 PRO HD2 H 1 3.828 0.020 . 2 . . . . 528 PRO HD2 . 16909 1 772 . 2 2 3 3 PRO HD3 H 1 3.512 0.020 . 2 . . . . 528 PRO HD3 . 16909 1 773 . 2 2 3 3 PRO HG2 H 1 2.317 0.020 . 2 . . . . 528 PRO HG2 . 16909 1 774 . 2 2 3 3 PRO HG3 H 1 2.159 0.020 . 2 . . . . 528 PRO HG3 . 16909 1 775 . 2 2 3 3 PRO CB C 13 31.770 0.400 . 1 . . . . 528 PRO CB . 16909 1 776 . 2 2 3 3 PRO CD C 13 51.549 0.400 . 1 . . . . 528 PRO CD . 16909 1 777 . 2 2 3 3 PRO CG C 13 28.069 0.400 . 1 . . . . 528 PRO CG . 16909 1 778 . 2 2 4 4 PRO HA H 1 4.200 0.020 . 1 . . . . 529 PRO HA . 16909 1 779 . 2 2 4 4 PRO HB2 H 1 2.124 0.020 . 2 . . . . 529 PRO HB2 . 16909 1 780 . 2 2 4 4 PRO HB3 H 1 1.631 0.020 . 2 . . . . 529 PRO HB3 . 16909 1 781 . 2 2 4 4 PRO HD2 H 1 3.787 0.020 . 2 . . . . 529 PRO HD2 . 16909 1 782 . 2 2 4 4 PRO HD3 H 1 3.561 0.020 . 2 . . . . 529 PRO HD3 . 16909 1 783 . 2 2 4 4 PRO HG2 H 1 1.983 0.020 . 2 . . . . 529 PRO HG2 . 16909 1 784 . 2 2 4 4 PRO HG3 H 1 1.942 0.020 . 2 . . . . 529 PRO HG3 . 16909 1 785 . 2 2 4 4 PRO CA C 13 63.692 0.400 . 1 . . . . 529 PRO CA . 16909 1 786 . 2 2 4 4 PRO CB C 13 32.714 0.400 . 1 . . . . 529 PRO CB . 16909 1 787 . 2 2 4 4 PRO CD C 13 51.277 0.400 . 1 . . . . 529 PRO CD . 16909 1 788 . 2 2 4 4 PRO CG C 13 28.527 0.400 . 1 . . . . 529 PRO CG . 16909 1 789 . 2 2 5 5 ALA H H 1 7.527 0.020 . 1 . . . . 530 ALA H . 16909 1 790 . 2 2 5 5 ALA HA H 1 1.653 0.020 . 1 . . . . 530 ALA HA . 16909 1 791 . 2 2 5 5 ALA HB1 H 1 -0.215 0.020 . 1 . . . . 530 ALA HB . 16909 1 792 . 2 2 5 5 ALA HB2 H 1 -0.215 0.020 . 1 . . . . 530 ALA HB . 16909 1 793 . 2 2 5 5 ALA HB3 H 1 -0.215 0.020 . 1 . . . . 530 ALA HB . 16909 1 794 . 2 2 5 5 ALA CA C 13 50.262 0.400 . 1 . . . . 530 ALA CA . 16909 1 795 . 2 2 5 5 ALA CB C 13 15.805 0.400 . 1 . . . . 530 ALA CB . 16909 1 796 . 2 2 5 5 ALA N N 15 123.158 0.400 . 1 . . . . 530 ALA N . 16909 1 797 . 2 2 6 6 PRO HA H 1 3.098 0.020 . 1 . . . . 531 PRO HA . 16909 1 798 . 2 2 6 6 PRO HB2 H 1 -0.599 0.020 . 2 . . . . 531 PRO HB2 . 16909 1 799 . 2 2 6 6 PRO HB3 H 1 -0.698 0.020 . 2 . . . . 531 PRO HB3 . 16909 1 800 . 2 2 6 6 PRO HD2 H 1 1.962 0.020 . 2 . . . . 531 PRO HD2 . 16909 1 801 . 2 2 6 6 PRO HD3 H 1 0.930 0.020 . 2 . . . . 531 PRO HD3 . 16909 1 802 . 2 2 6 6 PRO HG2 H 1 0.285 0.020 . 2 . . . . 531 PRO HG2 . 16909 1 803 . 2 2 6 6 PRO HG3 H 1 -1.139 0.020 . 2 . . . . 531 PRO HG3 . 16909 1 804 . 2 2 6 6 PRO CA C 13 63.696 0.400 . 1 . . . . 531 PRO CA . 16909 1 805 . 2 2 6 6 PRO CB C 13 31.131 0.400 . 1 . . . . 531 PRO CB . 16909 1 806 . 2 2 6 6 PRO CD C 13 49.488 0.400 . 1 . . . . 531 PRO CD . 16909 1 807 . 2 2 6 6 PRO CG C 13 27.568 0.400 . 1 . . . . 531 PRO CG . 16909 1 808 . 2 2 7 7 ASN H H 1 7.543 0.020 . 1 . . . . 532 ASN H . 16909 1 809 . 2 2 7 7 ASN HA H 1 4.588 0.020 . 1 . . . . 532 ASN HA . 16909 1 810 . 2 2 7 7 ASN HB2 H 1 2.970 0.020 . 2 . . . . 532 ASN HB2 . 16909 1 811 . 2 2 7 7 ASN HB3 H 1 2.679 0.020 . 2 . . . . 532 ASN HB3 . 16909 1 812 . 2 2 7 7 ASN CA C 13 52.849 0.400 . 1 . . . . 532 ASN CA . 16909 1 813 . 2 2 7 7 ASN CB C 13 38.203 0.400 . 1 . . . . 532 ASN CB . 16909 1 814 . 2 2 7 7 ASN N N 15 118.974 0.400 . 1 . . . . 532 ASN N . 16909 1 815 . 2 2 8 8 TRP H H 1 7.025 0.020 . 1 . . . . 533 TRP H . 16909 1 816 . 2 2 8 8 TRP HA H 1 5.189 0.020 . 1 . . . . 533 TRP HA . 16909 1 817 . 2 2 8 8 TRP HB2 H 1 3.402 0.020 . 2 . . . . 533 TRP HB2 . 16909 1 818 . 2 2 8 8 TRP HB3 H 1 3.337 0.020 . 2 . . . . 533 TRP HB3 . 16909 1 819 . 2 2 8 8 TRP HD1 H 1 7.477 0.020 . 1 . . . . 533 TRP HD1 . 16909 1 820 . 2 2 8 8 TRP HE1 H 1 10.805 0.020 . 1 . . . . 533 TRP HE1 . 16909 1 821 . 2 2 8 8 TRP HE3 H 1 7.675 0.020 . 1 . . . . 533 TRP HE3 . 16909 1 822 . 2 2 8 8 TRP HH2 H 1 6.980 0.020 . 1 . . . . 533 TRP HH2 . 16909 1 823 . 2 2 8 8 TRP HZ2 H 1 7.405 0.020 . 1 . . . . 533 TRP HZ2 . 16909 1 824 . 2 2 8 8 TRP HZ3 H 1 7.096 0.020 . 1 . . . . 533 TRP HZ3 . 16909 1 825 . 2 2 8 8 TRP CA C 13 55.963 0.400 . 1 . . . . 533 TRP CA . 16909 1 826 . 2 2 8 8 TRP CB C 13 29.592 0.400 . 1 . . . . 533 TRP CB . 16909 1 827 . 2 2 8 8 TRP CD1 C 13 131.492 0.400 . 1 . . . . 533 TRP CD1 . 16909 1 828 . 2 2 8 8 TRP CE3 C 13 124.133 0.400 . 1 . . . . 533 TRP CE3 . 16909 1 829 . 2 2 8 8 TRP CH2 C 13 126.087 0.400 . 1 . . . . 533 TRP CH2 . 16909 1 830 . 2 2 8 8 TRP CZ2 C 13 116.729 0.400 . 1 . . . . 533 TRP CZ2 . 16909 1 831 . 2 2 8 8 TRP CZ3 C 13 124.128 0.400 . 1 . . . . 533 TRP CZ3 . 16909 1 832 . 2 2 8 8 TRP N N 15 118.384 0.400 . 1 . . . . 533 TRP N . 16909 1 833 . 2 2 8 8 TRP NE1 N 15 130.148 0.400 . 1 . . . . 533 TRP NE1 . 16909 1 834 . 2 2 9 9 PRO HA H 1 4.513 0.020 . 1 . . . . 534 PRO HA . 16909 1 835 . 2 2 9 9 PRO HB2 H 1 2.304 0.020 . 2 . . . . 534 PRO HB2 . 16909 1 836 . 2 2 9 9 PRO HB3 H 1 1.830 0.020 . 2 . . . . 534 PRO HB3 . 16909 1 837 . 2 2 9 9 PRO HD2 H 1 3.982 0.020 . 2 . . . . 534 PRO HD2 . 16909 1 838 . 2 2 9 9 PRO HD3 H 1 3.880 0.020 . 2 . . . . 534 PRO HD3 . 16909 1 839 . 2 2 9 9 PRO HG2 H 1 2.159 0.020 . 2 . . . . 534 PRO HG2 . 16909 1 840 . 2 2 9 9 PRO HG3 H 1 2.031 0.020 . 2 . . . . 534 PRO HG3 . 16909 1 841 . 2 2 9 9 PRO CA C 13 63.600 0.400 . 1 . . . . 534 PRO CA . 16909 1 842 . 2 2 9 9 PRO CB C 13 33.049 0.400 . 1 . . . . 534 PRO CB . 16909 1 843 . 2 2 9 9 PRO CD C 13 51.787 0.400 . 1 . . . . 534 PRO CD . 16909 1 844 . 2 2 9 9 PRO CG C 13 28.905 0.400 . 1 . . . . 534 PRO CG . 16909 1 845 . 2 2 10 10 ALA H H 1 8.076 0.020 . 1 . . . . 535 ALA H . 16909 1 846 . 2 2 10 10 ALA HA H 1 3.603 0.020 . 1 . . . . 535 ALA HA . 16909 1 847 . 2 2 10 10 ALA HB1 H 1 -0.015 0.020 . 1 . . . . 535 ALA HB . 16909 1 848 . 2 2 10 10 ALA HB2 H 1 -0.015 0.020 . 1 . . . . 535 ALA HB . 16909 1 849 . 2 2 10 10 ALA HB3 H 1 -0.015 0.020 . 1 . . . . 535 ALA HB . 16909 1 850 . 2 2 10 10 ALA CA C 13 51.546 0.400 . 1 . . . . 535 ALA CA . 16909 1 851 . 2 2 10 10 ALA CB C 13 16.763 0.400 . 1 . . . . 535 ALA CB . 16909 1 852 . 2 2 10 10 ALA N N 15 125.939 0.400 . 1 . . . . 535 ALA N . 16909 1 853 . 2 2 11 11 PRO HA H 1 4.564 0.020 . 1 . . . . 536 PRO HA . 16909 1 854 . 2 2 11 11 PRO HB2 H 1 2.425 0.020 . 2 . . . . 536 PRO HB2 . 16909 1 855 . 2 2 11 11 PRO HB3 H 1 2.172 0.020 . 2 . . . . 536 PRO HB3 . 16909 1 856 . 2 2 11 11 PRO HD2 H 1 3.773 0.020 . 2 . . . . 536 PRO HD2 . 16909 1 857 . 2 2 11 11 PRO HD3 H 1 2.741 0.020 . 2 . . . . 536 PRO HD3 . 16909 1 858 . 2 2 11 11 PRO HG2 H 1 2.222 0.020 . 2 . . . . 536 PRO HG2 . 16909 1 859 . 2 2 11 11 PRO HG3 H 1 1.793 0.020 . 2 . . . . 536 PRO HG3 . 16909 1 860 . 2 2 11 11 PRO CA C 13 63.254 0.400 . 1 . . . . 536 PRO CA . 16909 1 861 . 2 2 11 11 PRO CB C 13 33.657 0.400 . 1 . . . . 536 PRO CB . 16909 1 862 . 2 2 11 11 PRO CD C 13 52.108 0.400 . 1 . . . . 536 PRO CD . 16909 1 863 . 2 2 11 11 PRO CG C 13 27.855 0.400 . 1 . . . . 536 PRO CG . 16909 1 864 . 2 2 12 12 THR H H 1 7.981 0.020 . 1 . . . . 537 THR H . 16909 1 865 . 2 2 12 12 THR HA H 1 4.814 0.020 . 1 . . . . 537 THR HA . 16909 1 866 . 2 2 12 12 THR HB H 1 4.227 0.020 . 1 . . . . 537 THR HB . 16909 1 867 . 2 2 12 12 THR HG21 H 1 1.254 0.020 . 1 . . . . 537 THR HG2 . 16909 1 868 . 2 2 12 12 THR HG22 H 1 1.254 0.020 . 1 . . . . 537 THR HG2 . 16909 1 869 . 2 2 12 12 THR HG23 H 1 1.254 0.020 . 1 . . . . 537 THR HG2 . 16909 1 870 . 2 2 12 12 THR CA C 13 60.181 0.400 . 1 . . . . 537 THR CA . 16909 1 871 . 2 2 12 12 THR CB C 13 70.311 0.400 . 1 . . . . 537 THR CB . 16909 1 872 . 2 2 12 12 THR CG2 C 13 22.708 0.400 . 1 . . . . 537 THR CG2 . 16909 1 873 . 2 2 12 12 THR N N 15 110.558 0.400 . 1 . . . . 537 THR N . 16909 1 874 . 2 2 13 13 PRO HA H 1 3.989 0.020 . 1 . . . . 538 PRO HA . 16909 1 875 . 2 2 13 13 PRO HB2 H 1 1.152 0.020 . 2 . . . . 538 PRO HB2 . 16909 1 876 . 2 2 13 13 PRO HB3 H 1 1.152 0.020 . 2 . . . . 538 PRO HB3 . 16909 1 877 . 2 2 13 13 PRO HD2 H 1 3.849 0.020 . 2 . . . . 538 PRO HD2 . 16909 1 878 . 2 2 13 13 PRO HD3 H 1 3.579 0.020 . 2 . . . . 538 PRO HD3 . 16909 1 879 . 2 2 13 13 PRO HG2 H 1 1.831 0.020 . 2 . . . . 538 PRO HG2 . 16909 1 880 . 2 2 13 13 PRO HG3 H 1 1.490 0.020 . 2 . . . . 538 PRO HG3 . 16909 1 881 . 2 2 13 13 PRO CA C 13 62.555 0.400 . 1 . . . . 538 PRO CA . 16909 1 882 . 2 2 13 13 PRO CB C 13 31.023 0.400 . 1 . . . . 538 PRO CB . 16909 1 883 . 2 2 13 13 PRO CD C 13 51.274 0.400 . 1 . . . . 538 PRO CD . 16909 1 884 . 2 2 13 13 PRO CG C 13 28.358 0.400 . 1 . . . . 538 PRO CG . 16909 1 885 . 2 2 14 14 PRO HA H 1 4.354 0.020 . 1 . . . . 539 PRO HA . 16909 1 886 . 2 2 14 14 PRO HB2 H 1 2.094 0.020 . 2 . . . . 539 PRO HB2 . 16909 1 887 . 2 2 14 14 PRO HB3 H 1 1.781 0.020 . 2 . . . . 539 PRO HB3 . 16909 1 888 . 2 2 14 14 PRO HD2 H 1 3.213 0.020 . 2 . . . . 539 PRO HD2 . 16909 1 889 . 2 2 14 14 PRO HD3 H 1 2.350 0.020 . 2 . . . . 539 PRO HD3 . 16909 1 890 . 2 2 14 14 PRO HG2 H 1 1.874 0.020 . 2 . . . . 539 PRO HG2 . 16909 1 891 . 2 2 14 14 PRO HG3 H 1 1.713 0.020 . 2 . . . . 539 PRO HG3 . 16909 1 892 . 2 2 14 14 PRO CA C 13 63.579 0.400 . 1 . . . . 539 PRO CA . 16909 1 893 . 2 2 14 14 PRO CB C 13 32.309 0.400 . 1 . . . . 539 PRO CB . 16909 1 894 . 2 2 14 14 PRO CD C 13 50.640 0.400 . 1 . . . . 539 PRO CD . 16909 1 895 . 2 2 14 14 PRO CG C 13 28.225 0.400 . 1 . . . . 539 PRO CG . 16909 1 896 . 2 2 15 15 VAL H H 1 7.948 0.020 . 1 . . . . 540 VAL H . 16909 1 897 . 2 2 15 15 VAL HA H 1 4.024 0.020 . 1 . . . . 540 VAL HA . 16909 1 898 . 2 2 15 15 VAL HB H 1 2.008 0.020 . 1 . . . . 540 VAL HB . 16909 1 899 . 2 2 15 15 VAL HG11 H 1 0.902 0.020 . 2 . . . . 540 VAL HG1 . 16909 1 900 . 2 2 15 15 VAL HG12 H 1 0.902 0.020 . 2 . . . . 540 VAL HG1 . 16909 1 901 . 2 2 15 15 VAL HG13 H 1 0.902 0.020 . 2 . . . . 540 VAL HG1 . 16909 1 902 . 2 2 15 15 VAL HG21 H 1 0.904 0.020 . 2 . . . . 540 VAL HG2 . 16909 1 903 . 2 2 15 15 VAL HG22 H 1 0.904 0.020 . 2 . . . . 540 VAL HG2 . 16909 1 904 . 2 2 15 15 VAL HG23 H 1 0.904 0.020 . 2 . . . . 540 VAL HG2 . 16909 1 905 . 2 2 15 15 VAL CA C 13 63.051 0.400 . 1 . . . . 540 VAL CA . 16909 1 906 . 2 2 15 15 VAL CB C 13 33.848 0.400 . 1 . . . . 540 VAL CB . 16909 1 907 . 2 2 15 15 VAL CG1 C 13 22.151 0.400 . 1 . . . . 540 VAL CG1 . 16909 1 908 . 2 2 15 15 VAL CG2 C 13 21.428 0.400 . 1 . . . . 540 VAL CG2 . 16909 1 909 . 2 2 15 15 VAL N N 15 118.845 0.400 . 1 . . . . 540 VAL N . 16909 1 910 . 2 2 16 16 GLN H H 1 8.499 0.020 . 1 . . . . 541 GLN H . 16909 1 911 . 2 2 16 16 GLN HA H 1 4.383 0.020 . 1 . . . . 541 GLN HA . 16909 1 912 . 2 2 16 16 GLN HB2 H 1 2.095 0.020 . 2 . . . . 541 GLN HB2 . 16909 1 913 . 2 2 16 16 GLN HB3 H 1 1.979 0.020 . 2 . . . . 541 GLN HB3 . 16909 1 914 . 2 2 16 16 GLN HG2 H 1 2.364 0.020 . 2 . . . . 541 GLN HG2 . 16909 1 915 . 2 2 16 16 GLN HG3 H 1 2.364 0.020 . 2 . . . . 541 GLN HG3 . 16909 1 916 . 2 2 16 16 GLN CA C 13 56.523 0.400 . 1 . . . . 541 GLN CA . 16909 1 917 . 2 2 16 16 GLN CB C 13 30.827 0.400 . 1 . . . . 541 GLN CB . 16909 1 918 . 2 2 16 16 GLN CG C 13 34.847 0.400 . 1 . . . . 541 GLN CG . 16909 1 919 . 2 2 16 16 GLN N N 15 123.471 0.400 . 1 . . . . 541 GLN N . 16909 1 920 . 2 2 17 17 ASN HA H 1 4.691 0.020 . 1 . . . . 542 ASN HA . 16909 1 921 . 2 2 17 17 ASN HB2 H 1 2.833 0.020 . 2 . . . . 542 ASN HB2 . 16909 1 922 . 2 2 17 17 ASN HB3 H 1 2.763 0.020 . 2 . . . . 542 ASN HB3 . 16909 1 923 . 2 2 17 17 ASN CA C 13 54.377 0.400 . 1 . . . . 542 ASN CA . 16909 1 924 . 2 2 17 17 ASN CB C 13 40.100 0.400 . 1 . . . . 542 ASN CB . 16909 1 stop_ save_