data_19363 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19363 _Entry.Title ; Solution structure of the STIM1 CC1-CC2 homodimer in complex with two Orai1 C-terminal domains. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-12 _Entry.Accession_date 2013-07-12 _Entry.Last_release_date 2014-01-13 _Entry.Original_release_date 2014-01-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peter Stathopulos . B. . 19363 2 Mitsuhiko Ikura . . . 19363 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' . 19363 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CC1-CC2 . 19363 coiled-coil . 19363 Orai1 . 19363 'Orai1 C-terminal domain' . 19363 STIM1 . 19363 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19363 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 19363 '15N chemical shifts' 105 19363 '1H chemical shifts' 715 19363 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 . . 2014-01-13 2013-07-12 original author . 19363 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19362 'This NMR data was used to calculate the STIM1 CC1-CC2 homodimer in the absence of Orai1 (i.e. the apo state).' 19363 PDB 2maj 'This PDB represents the STIM1 CC1-CC2 homodimer in the absence of Orai1 (i.e. the apo state).' 19363 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19363 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24351972 _Citation.Full_citation . _Citation.Title 'STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2963 _Citation.Page_last 2963 _Citation.Year 2013 _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 Peter Stathopulos . B. . 19363 1 2 Rainer Schindl . . . 19363 1 3 Marc Fahrner . . . 19363 1 4 Le Zheng . . . 19363 1 5 Genevieve Gasmi-Seabrook . . . 19363 1 6 Martin Muik . . . 19363 1 7 Christoph Romanin . . . 19363 1 8 Mitsuhiko Ikura . . . 19363 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19363 _Assembly.ID 1 _Assembly.Name 'STIM1 CC1-CC2 homodimer in complex with two Orai1 C-terminal domains' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 STIM1_CC1-CC2_1 1 $STIM1_CC1-CC2 A . yes native no no . . . 19363 1 2 Orai1_1 2 $Orai1 B . yes native no no . . . 19363 1 3 STIM1 1 $STIM1_CC1-CC2 C . yes native no no . . . 19363 1 4 Orai1_2 2 $Orai1 D . yes native no no . . . 19363 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_STIM1_CC1-CC2 _Entity.Sf_category entity _Entity.Sf_framecode STIM1_CC1-CC2 _Entity.Entry_ID 19363 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name STIM1_CC1-CC2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASSRQKYAEEELEQVR EALRKAEKELESHSSWYAPE ALQKWLQLTHEVEVQYYNIK KQNAEKQLLVAKEGAEKIKK KR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -5-0 (i.e. GSHMAS) are a cloning artifact.' _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment CC1-CC2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9703.089 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19362 . STIM1_CC1-CC2 . . . . . 100.00 82 100.00 100.00 4.71e-48 . . . . 19363 1 2 no PDB 2MAJ . "Solution Structure Of The Stim1 Cc1-cc2 Homodimer." . . . . . 100.00 82 100.00 100.00 4.71e-48 . . . . 19363 1 3 no PDB 2MAK . "Solution Structure Of The Stim1 Cc1-cc2 Homodimer In Complex With Two Orai1 C-terminal Domains" . . . . . 100.00 82 100.00 100.00 4.71e-48 . . . . 19363 1 4 no PDB 3TEQ . "Crystal Structure Of Soar Domain" . . . . . 53.66 101 97.73 100.00 6.05e-20 . . . . 19363 1 5 no GB ADO20317 . "STIM1L [Homo sapiens]" . . . . . 92.68 791 100.00 100.00 6.74e-40 . . . . 19363 1 6 no REF NP_001264890 . "stromal interaction molecule 1 isoform 1 precursor [Homo sapiens]" . . . . . 92.68 791 100.00 100.00 6.74e-40 . . . . 19363 1 7 no REF XP_003910388 . "PREDICTED: stromal interaction molecule 1 isoform X1 [Papio anubis]" . . . . . 92.68 790 100.00 100.00 6.57e-40 . . . . 19363 1 8 no REF XP_003923449 . "PREDICTED: stromal interaction molecule 1 isoform X1 [Saimiri boliviensis boliviensis]" . . . . . 92.68 792 100.00 100.00 6.58e-40 . . . . 19363 1 9 no REF XP_003951854 . "PREDICTED: stromal interaction molecule 1 isoform X1 [Pan troglodytes]" . . . . . 92.68 791 100.00 100.00 6.74e-40 . . . . 19363 1 10 no REF XP_004016320 . "PREDICTED: stromal interaction molecule 1 isoform X1 [Ovis aries]" . . . . . 92.68 785 100.00 100.00 1.56e-39 . . . . 19363 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 -5 GLY . 19363 1 2 -4 SER . 19363 1 3 -3 HIS . 19363 1 4 -2 MET . 19363 1 5 -1 ALA . 19363 1 6 0 SER . 19363 1 7 312 SER . 19363 1 8 313 ARG . 19363 1 9 314 GLN . 19363 1 10 315 LYS . 19363 1 11 316 TYR . 19363 1 12 317 ALA . 19363 1 13 318 GLU . 19363 1 14 319 GLU . 19363 1 15 320 GLU . 19363 1 16 321 LEU . 19363 1 17 322 GLU . 19363 1 18 323 GLN . 19363 1 19 324 VAL . 19363 1 20 325 ARG . 19363 1 21 326 GLU . 19363 1 22 327 ALA . 19363 1 23 328 LEU . 19363 1 24 329 ARG . 19363 1 25 330 LYS . 19363 1 26 331 ALA . 19363 1 27 332 GLU . 19363 1 28 333 LYS . 19363 1 29 334 GLU . 19363 1 30 335 LEU . 19363 1 31 336 GLU . 19363 1 32 337 SER . 19363 1 33 338 HIS . 19363 1 34 339 SER . 19363 1 35 340 SER . 19363 1 36 341 TRP . 19363 1 37 342 TYR . 19363 1 38 343 ALA . 19363 1 39 344 PRO . 19363 1 40 345 GLU . 19363 1 41 346 ALA . 19363 1 42 347 LEU . 19363 1 43 348 GLN . 19363 1 44 349 LYS . 19363 1 45 350 TRP . 19363 1 46 351 LEU . 19363 1 47 352 GLN . 19363 1 48 353 LEU . 19363 1 49 354 THR . 19363 1 50 355 HIS . 19363 1 51 356 GLU . 19363 1 52 357 VAL . 19363 1 53 358 GLU . 19363 1 54 359 VAL . 19363 1 55 360 GLN . 19363 1 56 361 TYR . 19363 1 57 362 TYR . 19363 1 58 363 ASN . 19363 1 59 364 ILE . 19363 1 60 365 LYS . 19363 1 61 366 LYS . 19363 1 62 367 GLN . 19363 1 63 368 ASN . 19363 1 64 369 ALA . 19363 1 65 370 GLU . 19363 1 66 371 LYS . 19363 1 67 372 GLN . 19363 1 68 373 LEU . 19363 1 69 374 LEU . 19363 1 70 375 VAL . 19363 1 71 376 ALA . 19363 1 72 377 LYS . 19363 1 73 378 GLU . 19363 1 74 379 GLY . 19363 1 75 380 ALA . 19363 1 76 381 GLU . 19363 1 77 382 LYS . 19363 1 78 383 ILE . 19363 1 79 384 LYS . 19363 1 80 385 LYS . 19363 1 81 386 LYS . 19363 1 82 387 ARG . 19363 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 19363 1 . SER 2 2 19363 1 . HIS 3 3 19363 1 . MET 4 4 19363 1 . ALA 5 5 19363 1 . SER 6 6 19363 1 . SER 7 7 19363 1 . ARG 8 8 19363 1 . GLN 9 9 19363 1 . LYS 10 10 19363 1 . TYR 11 11 19363 1 . ALA 12 12 19363 1 . GLU 13 13 19363 1 . GLU 14 14 19363 1 . GLU 15 15 19363 1 . LEU 16 16 19363 1 . GLU 17 17 19363 1 . GLN 18 18 19363 1 . VAL 19 19 19363 1 . ARG 20 20 19363 1 . GLU 21 21 19363 1 . ALA 22 22 19363 1 . LEU 23 23 19363 1 . ARG 24 24 19363 1 . LYS 25 25 19363 1 . ALA 26 26 19363 1 . GLU 27 27 19363 1 . LYS 28 28 19363 1 . GLU 29 29 19363 1 . LEU 30 30 19363 1 . GLU 31 31 19363 1 . SER 32 32 19363 1 . HIS 33 33 19363 1 . SER 34 34 19363 1 . SER 35 35 19363 1 . TRP 36 36 19363 1 . TYR 37 37 19363 1 . ALA 38 38 19363 1 . PRO 39 39 19363 1 . GLU 40 40 19363 1 . ALA 41 41 19363 1 . LEU 42 42 19363 1 . GLN 43 43 19363 1 . LYS 44 44 19363 1 . TRP 45 45 19363 1 . LEU 46 46 19363 1 . GLN 47 47 19363 1 . LEU 48 48 19363 1 . THR 49 49 19363 1 . HIS 50 50 19363 1 . GLU 51 51 19363 1 . VAL 52 52 19363 1 . GLU 53 53 19363 1 . VAL 54 54 19363 1 . GLN 55 55 19363 1 . TYR 56 56 19363 1 . TYR 57 57 19363 1 . ASN 58 58 19363 1 . ILE 59 59 19363 1 . LYS 60 60 19363 1 . LYS 61 61 19363 1 . GLN 62 62 19363 1 . ASN 63 63 19363 1 . ALA 64 64 19363 1 . GLU 65 65 19363 1 . LYS 66 66 19363 1 . GLN 67 67 19363 1 . LEU 68 68 19363 1 . LEU 69 69 19363 1 . VAL 70 70 19363 1 . ALA 71 71 19363 1 . LYS 72 72 19363 1 . GLU 73 73 19363 1 . GLY 74 74 19363 1 . ALA 75 75 19363 1 . GLU 76 76 19363 1 . LYS 77 77 19363 1 . ILE 78 78 19363 1 . LYS 79 79 19363 1 . LYS 80 80 19363 1 . LYS 81 81 19363 1 . ARG 82 82 19363 1 stop_ save_ save_Orai1 _Entity.Sf_category entity _Entity.Sf_framecode Orai1 _Entity.Entry_ID 19363 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Orai1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSELNELAEFARLQDQLDHR GDH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues -1-0 (i.e. GS) are a cloning artifact.' _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Orai1 C-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2654.828 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 2MAK . "Solution Structure Of The Stim1 Cc1-cc2 Homodimer In Complex With Two Orai1 C-terminal Domains" . . . . . 100.00 23 100.00 100.00 3.71e-06 . . . . 19363 2 2 no DBJ BAB55068 . "unnamed protein product [Homo sapiens]" . . . . . 91.30 238 100.00 100.00 4.45e-06 . . . . 19363 2 3 no DBJ BAC35045 . "unnamed protein product [Mus musculus]" . . . . . 91.30 304 100.00 100.00 7.32e-06 . . . . 19363 2 4 no DBJ BAC39533 . "unnamed protein product [Mus musculus]" . . . . . 91.30 282 100.00 100.00 8.62e-06 . . . . 19363 2 5 no DBJ BAF47905 . "Orai1 [Mus musculus]" . . . . . 91.30 304 100.00 100.00 7.32e-06 . . . . 19363 2 6 no EMBL CAN36426 . "calcium release-activated calcium channel 1 [Mus musculus]" . . . . . 91.30 304 100.00 100.00 7.32e-06 . . . . 19363 2 7 no GB AAH13386 . "ORAI1 protein [Homo sapiens]" . . . . . 91.30 238 100.00 100.00 4.45e-06 . . . . 19363 2 8 no GB AAH15369 . "ORAI calcium release-activated calcium modulator 1 [Homo sapiens]" . . . . . 91.30 301 100.00 100.00 7.58e-06 . . . . 19363 2 9 no GB AAH23149 . "Orai1 protein [Mus musculus]" . . . . . 91.30 239 100.00 100.00 6.21e-06 . . . . 19363 2 10 no GB AAH75831 . "ORAI calcium release-activated calcium modulator 1 [Homo sapiens]" . . . . . 91.30 301 100.00 100.00 7.58e-06 . . . . 19363 2 11 no GB AAH88225 . "ORAI calcium release-activated calcium modulator 1 [Rattus norvegicus]" . . . . . 91.30 304 100.00 100.00 7.32e-06 . . . . 19363 2 12 no REF NP_001014004 . "calcium release-activated calcium channel protein 1 [Rattus norvegicus]" . . . . . 91.30 304 100.00 100.00 7.32e-06 . . . . 19363 2 13 no REF NP_001092472 . "calcium release-activated calcium channel protein 1 [Bos taurus]" . . . . . 91.30 303 100.00 100.00 1.04e-05 . . . . 19363 2 14 no REF NP_001166990 . "calcium release-activated calcium channel protein 1 [Sus scrofa]" . . . . . 91.30 306 100.00 100.00 7.38e-06 . . . . 19363 2 15 no REF NP_116179 . "calcium release-activated calcium channel protein 1 [Homo sapiens]" . . . . . 91.30 301 100.00 100.00 7.58e-06 . . . . 19363 2 16 no REF NP_780632 . "calcium release-activated calcium channel protein 1 [Mus musculus]" . . . . . 91.30 304 100.00 100.00 7.32e-06 . . . . 19363 2 17 no SP Q5M848 . "RecName: Full=Calcium release-activated calcium channel protein 1; AltName: Full=Protein orai-1; AltName: Full=Transmembrane pr" . . . . . 91.30 304 100.00 100.00 7.32e-06 . . . . 19363 2 18 no SP Q8BWG9 . "RecName: Full=Calcium release-activated calcium channel protein 1; AltName: Full=Protein orai-1; AltName: Full=Transmembrane pr" . . . . . 91.30 304 100.00 100.00 7.32e-06 . . . . 19363 2 19 no SP Q96D31 . "RecName: Full=Calcium release-activated calcium channel protein 1; AltName: Full=Protein orai-1; AltName: Full=Transmembrane pr" . . . . . 91.30 301 100.00 100.00 7.58e-06 . . . . 19363 2 20 no TPG DAA20623 . "TPA: calcium release-activated calcium channel protein 1 [Bos taurus]" . . . . . 91.30 303 100.00 100.00 1.04e-05 . . . . 19363 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 19363 2 2 0 SER . 19363 2 3 272 GLU . 19363 2 4 273 LEU . 19363 2 5 274 ASN . 19363 2 6 275 GLU . 19363 2 7 276 LEU . 19363 2 8 277 ALA . 19363 2 9 278 GLU . 19363 2 10 279 PHE . 19363 2 11 280 ALA . 19363 2 12 281 ARG . 19363 2 13 282 LEU . 19363 2 14 283 GLN . 19363 2 15 284 ASP . 19363 2 16 285 GLN . 19363 2 17 286 LEU . 19363 2 18 287 ASP . 19363 2 19 288 HIS . 19363 2 20 289 ARG . 19363 2 21 290 GLY . 19363 2 22 291 ASP . 19363 2 23 292 HIS . 19363 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 . GLY 1 1 19363 2 . SER 2 2 19363 2 . GLU 3 3 19363 2 . LEU 4 4 19363 2 . ASN 5 5 19363 2 . GLU 6 6 19363 2 . LEU 7 7 19363 2 . ALA 8 8 19363 2 . GLU 9 9 19363 2 . PHE 10 10 19363 2 . ALA 11 11 19363 2 . ARG 12 12 19363 2 . LEU 13 13 19363 2 . GLN 14 14 19363 2 . ASP 15 15 19363 2 . GLN 16 16 19363 2 . LEU 17 17 19363 2 . ASP 18 18 19363 2 . HIS 19 19 19363 2 . ARG 20 20 19363 2 . GLY 21 21 19363 2 . ASP 22 22 19363 2 . HIS 23 23 19363 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 19363 _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 $STIM1_CC1-CC2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19363 1 2 2 $Orai1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19363 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 19363 _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 $STIM1_CC1-CC2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-28a . . . . . . 19363 1 2 2 $Orai1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-4T1 . . . . . . 19363 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19363 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 STIM1_CC1-CC2 '[U-100% 15N]' . . 1 $STIM1_CC1-CC2 . . 0.25 . . mM . . . . 19363 1 2 Orai1 'natural abundance' . . 2 $Orai1 . . 3.0 . . mM . . . . 19363 1 3 bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19363 1 4 TFE '[U-99% 2H]' . . . . . . 0.175 . . v/v . . . . 19363 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19363 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19363 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19363 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 STIM1_CC1-CC2 '[U-99% 13C; U-99% 15N]' . . 1 $STIM1_CC1-CC2 . . 0.25 . . mM . . . . 19363 2 2 Orai1 'natural abundance' . . 2 $Orai1 . . 3.0 . . mM . . . . 19363 2 3 bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19363 2 4 TFE '[U-99% 2H]' . . . . . . 0.175 . . v/v . . . . 19363 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19363 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19363 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19363 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 STIM1_CC1-CC2 '[U-99% 13C; U-99% 15N]' . . 1 $STIM1_CC1-CC2 . . 0.25 . . mM . . . . 19363 3 2 Orai1 'natural abundance' . . 2 $Orai1 . . 3.0 . . mM . . . . 19363 3 3 bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19363 3 4 TFE '[U-99% 2H]' . . . . . . 0.175 . . v/v . . . . 19363 3 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19363 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19363 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 STIM1_CC1-CC2 'natural abundance' . . 1 $STIM1_CC1-CC2 . . 2.5 . . mM . . . . 19363 4 2 Orai1 '[U-99% 15N]' . . 2 $Orai1 . . 0.25 . . mM . . . . 19363 4 3 bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19363 4 4 TFE '[U-99% 2H]' . . . . . . 0.175 . . v/v . . . . 19363 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19363 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19363 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19363 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 STIM1_CC1-CC2 'natural abundance' . . 1 $STIM1_CC1-CC2 . . 2.5 . . mM . . . . 19363 5 2 Orai1 '[U-99% 13C; U-99% 15N]' . . 2 $Orai1 . . 0.25 . . mM . . . . 19363 5 3 bis-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19363 5 4 TFE '[U-99% 2H]' . . . . . . 0.175 . . v/v . . . . 19363 5 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19363 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19363 _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' 0.02 . M 19363 1 pH 5.5 . pH 19363 1 pressure 1 . atm 19363 1 temperature 308 . K 19363 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19363 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19363 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19363 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19363 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19363 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19363 2 'peak picking' 19363 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19363 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19363 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19363 3 'geometry optimization' 19363 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19363 _Software.ID 4 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19363 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19363 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19363 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19363 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19363 5 refinement 19363 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19363 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19363 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19363 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19363 1 2 spectrometer_2 Bruker Avance . 600 . . . 19363 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 19363 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 5 '3D C(CO)NH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 6 '3D H(CCO)NH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19363 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 19363 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19363 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19363 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19363 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 19363 _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 'Side chain aliphatic assignments were made by transference from the apo state and adjusted/confirmed using the NOESY spectra.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19363 1 2 '3D HNCACB' . . . 19363 1 3 '3D CBCA(CO)NH' . . . 19363 1 4 '3D HNCO' . . . 19363 1 7 '3D 1H-15N NOESY' . . . 19363 1 8 '2D 1H-13C HSQC' . . . 19363 1 9 '3D 1H-13C NOESY' . . . 19363 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 3.9 0.040 . 2 . . . A -5 GLY HA2 . 19363 1 2 . 1 1 1 1 GLY HA3 H 1 3.9 0.040 . 2 . . . A -5 GLY HA3 . 19363 1 3 . 1 1 1 1 GLY CA C 13 43.419 0.400 . 1 . . . A -5 GLY CA . 19363 1 4 . 1 1 2 2 SER HA H 1 4.521 0.040 . 1 . . . A -4 SER HA . 19363 1 5 . 1 1 2 2 SER HB2 H 1 3.889 0.040 . 2 . . . A -4 SER HB2 . 19363 1 6 . 1 1 2 2 SER HB3 H 1 3.852 0.040 . 2 . . . A -4 SER HB3 . 19363 1 7 . 1 1 2 2 SER CA C 13 58.261 0.400 . 1 . . . A -4 SER CA . 19363 1 8 . 1 1 2 2 SER CB C 13 64.002 0.003 . 1 . . . A -4 SER CB . 19363 1 9 . 1 1 3 3 HIS HA H 1 4.717 0.040 . 1 . . . A -3 HIS HA . 19363 1 10 . 1 1 3 3 HIS HB2 H 1 3.252 0.040 . 2 . . . A -3 HIS HB2 . 19363 1 11 . 1 1 3 3 HIS HB3 H 1 3.168 0.040 . 2 . . . A -3 HIS HB3 . 19363 1 12 . 1 1 3 3 HIS C C 13 174.662 0.400 . 1 . . . A -3 HIS C . 19363 1 13 . 1 1 3 3 HIS CA C 13 56.091 0.400 . 1 . . . A -3 HIS CA . 19363 1 14 . 1 1 3 3 HIS CB C 13 29.675 0.012 . 1 . . . A -3 HIS CB . 19363 1 15 . 1 1 4 4 MET H H 1 8.348 0.040 . 1 . . . A -2 MET H . 19363 1 16 . 1 1 4 4 MET HA H 1 4.462 0.040 . 1 . . . A -2 MET HA . 19363 1 17 . 1 1 4 4 MET HB2 H 1 2.093 0.040 . 2 . . . A -2 MET HB2 . 19363 1 18 . 1 1 4 4 MET HB3 H 1 1.997 0.040 . 2 . . . A -2 MET HB3 . 19363 1 19 . 1 1 4 4 MET HG2 H 1 2.569 0.040 . 2 . . . A -2 MET HG2 . 19363 1 20 . 1 1 4 4 MET HG3 H 1 2.514 0.040 . 2 . . . A -2 MET HG3 . 19363 1 21 . 1 1 4 4 MET HE1 H 1 2.112 0.040 . 1 . . . A -2 MET HE1 . 19363 1 22 . 1 1 4 4 MET HE2 H 1 2.112 0.040 . 1 . . . A -2 MET HE2 . 19363 1 23 . 1 1 4 4 MET HE3 H 1 2.112 0.040 . 1 . . . A -2 MET HE3 . 19363 1 24 . 1 1 4 4 MET C C 13 175.834 0.400 . 1 . . . A -2 MET C . 19363 1 25 . 1 1 4 4 MET CA C 13 55.717 0.400 . 1 . . . A -2 MET CA . 19363 1 26 . 1 1 4 4 MET CB C 13 32.983 0.002 . 1 . . . A -2 MET CB . 19363 1 27 . 1 1 4 4 MET CG C 13 31.898 0.012 . 1 . . . A -2 MET CG . 19363 1 28 . 1 1 4 4 MET CE C 13 16.75 0.400 . 1 . . . A -2 MET CE . 19363 1 29 . 1 1 4 4 MET N N 15 121.235 0.400 . 1 . . . A -2 MET N . 19363 1 30 . 1 1 5 5 ALA H H 1 8.329 0.040 . 1 . . . A -1 ALA H . 19363 1 31 . 1 1 5 5 ALA HA H 1 4.361 0.040 . 1 . . . A -1 ALA HA . 19363 1 32 . 1 1 5 5 ALA HB1 H 1 1.45 0.040 . 1 . . . A -1 ALA HB1 . 19363 1 33 . 1 1 5 5 ALA HB2 H 1 1.45 0.040 . 1 . . . A -1 ALA HB2 . 19363 1 34 . 1 1 5 5 ALA HB3 H 1 1.45 0.040 . 1 . . . A -1 ALA HB3 . 19363 1 35 . 1 1 5 5 ALA C C 13 177.77 0.400 . 1 . . . A -1 ALA C . 19363 1 36 . 1 1 5 5 ALA CA C 13 52.906 0.400 . 1 . . . A -1 ALA CA . 19363 1 37 . 1 1 5 5 ALA CB C 13 19.137 0.400 . 1 . . . A -1 ALA CB . 19363 1 38 . 1 1 5 5 ALA N N 15 124.911 0.400 . 1 . . . A -1 ALA N . 19363 1 39 . 1 1 6 6 SER H H 1 8.202 0.040 . 1 . . . A 0 SER H . 19363 1 40 . 1 1 6 6 SER HA H 1 4.485 0.040 . 1 . . . A 0 SER HA . 19363 1 41 . 1 1 6 6 SER HB2 H 1 3.993 0.040 . 2 . . . A 0 SER HB2 . 19363 1 42 . 1 1 6 6 SER HB3 H 1 3.905 0.040 . 2 . . . A 0 SER HB3 . 19363 1 43 . 1 1 6 6 SER C C 13 174.883 0.400 . 1 . . . A 0 SER C . 19363 1 44 . 1 1 6 6 SER CA C 13 58.612 0.400 . 1 . . . A 0 SER CA . 19363 1 45 . 1 1 6 6 SER CB C 13 63.865 0.003 . 1 . . . A 0 SER CB . 19363 1 46 . 1 1 6 6 SER N N 15 114.198 0.400 . 1 . . . A 0 SER N . 19363 1 47 . 1 1 7 7 SER H H 1 8.244 0.040 . 1 . . . A 312 SER H . 19363 1 48 . 1 1 7 7 SER HA H 1 4.477 0.040 . 1 . . . A 312 SER HA . 19363 1 49 . 1 1 7 7 SER HB2 H 1 4.02 0.040 . 2 . . . A 312 SER HB2 . 19363 1 50 . 1 1 7 7 SER HB3 H 1 3.931 0.040 . 2 . . . A 312 SER HB3 . 19363 1 51 . 1 1 7 7 SER C C 13 174.849 0.400 . 1 . . . A 312 SER C . 19363 1 52 . 1 1 7 7 SER CA C 13 58.885 0.400 . 1 . . . A 312 SER CA . 19363 1 53 . 1 1 7 7 SER CB C 13 63.692 0.003 . 1 . . . A 312 SER CB . 19363 1 54 . 1 1 7 7 SER N N 15 117.208 0.400 . 1 . . . A 312 SER N . 19363 1 55 . 1 1 8 8 ARG H H 1 8.258 0.040 . 1 . . . A 313 ARG H . 19363 1 56 . 1 1 8 8 ARG HA H 1 4.314 0.040 . 1 . . . A 313 ARG HA . 19363 1 57 . 1 1 8 8 ARG HB2 H 1 1.926 0.040 . 2 . . . A 313 ARG HB2 . 19363 1 58 . 1 1 8 8 ARG HB3 H 1 1.829 0.040 . 2 . . . A 313 ARG HB3 . 19363 1 59 . 1 1 8 8 ARG HG2 H 1 1.676 0.040 . 2 . . . A 313 ARG HG2 . 19363 1 60 . 1 1 8 8 ARG HG3 H 1 1.644 0.040 . 2 . . . A 313 ARG HG3 . 19363 1 61 . 1 1 8 8 ARG HD2 H 1 3.211 0.040 . 2 . . . A 313 ARG HD2 . 19363 1 62 . 1 1 8 8 ARG HD3 H 1 3.211 0.040 . 2 . . . A 313 ARG HD3 . 19363 1 63 . 1 1 8 8 ARG C C 13 176.819 0.400 . 1 . . . A 313 ARG C . 19363 1 64 . 1 1 8 8 ARG CA C 13 57.182 0.400 . 1 . . . A 313 ARG CA . 19363 1 65 . 1 1 8 8 ARG CB C 13 30.431 0.400 . 1 . . . A 313 ARG CB . 19363 1 66 . 1 1 8 8 ARG CG C 13 27.108 0.400 . 1 . . . A 313 ARG CG . 19363 1 67 . 1 1 8 8 ARG CD C 13 43.165 0.400 . 1 . . . A 313 ARG CD . 19363 1 68 . 1 1 8 8 ARG N N 15 121.917 0.400 . 1 . . . A 313 ARG N . 19363 1 69 . 1 1 9 9 GLN H H 1 8.187 0.040 . 1 . . . A 314 GLN H . 19363 1 70 . 1 1 9 9 GLN HA H 1 4.248 0.040 . 1 . . . A 314 GLN HA . 19363 1 71 . 1 1 9 9 GLN HB2 H 1 2.065 0.040 . 2 . . . A 314 GLN HB2 . 19363 1 72 . 1 1 9 9 GLN HB3 H 1 2.065 0.040 . 2 . . . A 314 GLN HB3 . 19363 1 73 . 1 1 9 9 GLN HG2 H 1 2.361 0.040 . 2 . . . A 314 GLN HG2 . 19363 1 74 . 1 1 9 9 GLN HG3 H 1 2.361 0.040 . 2 . . . A 314 GLN HG3 . 19363 1 75 . 1 1 9 9 GLN C C 13 176.361 0.400 . 1 . . . A 314 GLN C . 19363 1 76 . 1 1 9 9 GLN CA C 13 57.197 0.400 . 1 . . . A 314 GLN CA . 19363 1 77 . 1 1 9 9 GLN CB C 13 29.056 0.400 . 1 . . . A 314 GLN CB . 19363 1 78 . 1 1 9 9 GLN CG C 13 33.765 0.400 . 1 . . . A 314 GLN CG . 19363 1 79 . 1 1 9 9 GLN N N 15 119.974 0.400 . 1 . . . A 314 GLN N . 19363 1 80 . 1 1 10 10 LYS H H 1 8.038 0.040 . 1 . . . A 315 LYS H . 19363 1 81 . 1 1 10 10 LYS HA H 1 4.212 0.040 . 1 . . . A 315 LYS HA . 19363 1 82 . 1 1 10 10 LYS HB2 H 1 1.763 0.040 . 2 . . . A 315 LYS HB2 . 19363 1 83 . 1 1 10 10 LYS HB3 H 1 1.763 0.040 . 2 . . . A 315 LYS HB3 . 19363 1 84 . 1 1 10 10 LYS HG2 H 1 1.398 0.040 . 2 . . . A 315 LYS HG2 . 19363 1 85 . 1 1 10 10 LYS HG3 H 1 1.332 0.040 . 2 . . . A 315 LYS HG3 . 19363 1 86 . 1 1 10 10 LYS HD2 H 1 1.571 0.040 . 2 . . . A 315 LYS HD2 . 19363 1 87 . 1 1 10 10 LYS HD3 H 1 1.571 0.040 . 2 . . . A 315 LYS HD3 . 19363 1 88 . 1 1 10 10 LYS HE2 H 1 2.98 0.040 . 2 . . . A 315 LYS HE2 . 19363 1 89 . 1 1 10 10 LYS HE3 H 1 2.98 0.040 . 2 . . . A 315 LYS HE3 . 19363 1 90 . 1 1 10 10 LYS C C 13 177.006 0.400 . 1 . . . A 315 LYS C . 19363 1 91 . 1 1 10 10 LYS CA C 13 57.392 0.400 . 1 . . . A 315 LYS CA . 19363 1 92 . 1 1 10 10 LYS CB C 13 32.865 0.400 . 1 . . . A 315 LYS CB . 19363 1 93 . 1 1 10 10 LYS CG C 13 24.579 0.400 . 1 . . . A 315 LYS CG . 19363 1 94 . 1 1 10 10 LYS CD C 13 28.53 0.400 . 1 . . . A 315 LYS CD . 19363 1 95 . 1 1 10 10 LYS CE C 13 42.067 0.400 . 1 . . . A 315 LYS CE . 19363 1 96 . 1 1 10 10 LYS N N 15 120.673 0.400 . 1 . . . A 315 LYS N . 19363 1 97 . 1 1 11 11 TYR H H 1 8.015 0.040 . 1 . . . A 316 TYR H . 19363 1 98 . 1 1 11 11 TYR HA H 1 4.561 0.040 . 1 . . . A 316 TYR HA . 19363 1 99 . 1 1 11 11 TYR HB2 H 1 3.197 0.040 . 2 . . . A 316 TYR HB2 . 19363 1 100 . 1 1 11 11 TYR HB3 H 1 2.985 0.040 . 2 . . . A 316 TYR HB3 . 19363 1 101 . 1 1 11 11 TYR HD1 H 1 7.168 0.040 . 3 . . . A 316 TYR HD1 . 19363 1 102 . 1 1 11 11 TYR HE2 H 1 6.837 0.040 . 3 . . . A 316 TYR HE2 . 19363 1 103 . 1 1 11 11 TYR C C 13 176.683 0.400 . 1 . . . A 316 TYR C . 19363 1 104 . 1 1 11 11 TYR CA C 13 58.656 0.400 . 1 . . . A 316 TYR CA . 19363 1 105 . 1 1 11 11 TYR CB C 13 38.555 0.024 . 1 . . . A 316 TYR CB . 19363 1 106 . 1 1 11 11 TYR CD1 C 13 133.244 0.400 . 3 . . . A 316 TYR CD1 . 19363 1 107 . 1 1 11 11 TYR CE2 C 13 118.376 0.400 . 3 . . . A 316 TYR CE2 . 19363 1 108 . 1 1 11 11 TYR N N 15 119.387 0.400 . 1 . . . A 316 TYR N . 19363 1 109 . 1 1 12 12 ALA H H 1 8.289 0.040 . 1 . . . A 317 ALA H . 19363 1 110 . 1 1 12 12 ALA HA H 1 4.27 0.040 . 1 . . . A 317 ALA HA . 19363 1 111 . 1 1 12 12 ALA HB1 H 1 1.519 0.040 . 1 . . . A 317 ALA HB1 . 19363 1 112 . 1 1 12 12 ALA HB2 H 1 1.519 0.040 . 1 . . . A 317 ALA HB2 . 19363 1 113 . 1 1 12 12 ALA HB3 H 1 1.519 0.040 . 1 . . . A 317 ALA HB3 . 19363 1 114 . 1 1 12 12 ALA C C 13 179.078 0.400 . 1 . . . A 317 ALA C . 19363 1 115 . 1 1 12 12 ALA CA C 13 54.082 0.400 . 1 . . . A 317 ALA CA . 19363 1 116 . 1 1 12 12 ALA CB C 13 18.58 0.400 . 1 . . . A 317 ALA CB . 19363 1 117 . 1 1 12 12 ALA N N 15 123.397 0.400 . 1 . . . A 317 ALA N . 19363 1 118 . 1 1 13 13 GLU H H 1 8.518 0.040 . 1 . . . A 318 GLU H . 19363 1 119 . 1 1 13 13 GLU HA H 1 4.045 0.040 . 1 . . . A 318 GLU HA . 19363 1 120 . 1 1 13 13 GLU HB2 H 1 2.151 0.040 . 2 . . . A 318 GLU HB2 . 19363 1 121 . 1 1 13 13 GLU HB3 H 1 2.151 0.040 . 2 . . . A 318 GLU HB3 . 19363 1 122 . 1 1 13 13 GLU HG2 H 1 2.375 0.040 . 2 . . . A 318 GLU HG2 . 19363 1 123 . 1 1 13 13 GLU HG3 H 1 2.375 0.040 . 2 . . . A 318 GLU HG3 . 19363 1 124 . 1 1 13 13 GLU C C 13 178.246 0.400 . 1 . . . A 318 GLU C . 19363 1 125 . 1 1 13 13 GLU CA C 13 59.704 0.400 . 1 . . . A 318 GLU CA . 19363 1 126 . 1 1 13 13 GLU CB C 13 29.362 0.400 . 1 . . . A 318 GLU CB . 19363 1 127 . 1 1 13 13 GLU CG C 13 36.338 0.400 . 1 . . . A 318 GLU CG . 19363 1 128 . 1 1 13 13 GLU N N 15 118.248 0.400 . 1 . . . A 318 GLU N . 19363 1 129 . 1 1 14 14 GLU H H 1 8.294 0.040 . 1 . . . A 319 GLU H . 19363 1 130 . 1 1 14 14 GLU HA H 1 4.146 0.040 . 1 . . . A 319 GLU HA . 19363 1 131 . 1 1 14 14 GLU HB3 H 1 2.133 0.040 . 2 . . . A 319 GLU HB3 . 19363 1 132 . 1 1 14 14 GLU HG2 H 1 2.376 0.040 . 2 . . . A 319 GLU HG2 . 19363 1 133 . 1 1 14 14 GLU HG3 H 1 2.376 0.040 . 2 . . . A 319 GLU HG3 . 19363 1 134 . 1 1 14 14 GLU C C 13 178.908 0.400 . 1 . . . A 319 GLU C . 19363 1 135 . 1 1 14 14 GLU CA C 13 59.23 0.400 . 1 . . . A 319 GLU CA . 19363 1 136 . 1 1 14 14 GLU CB C 13 29.337 0.400 . 1 . . . A 319 GLU CB . 19363 1 137 . 1 1 14 14 GLU CG C 13 36.407 0.400 . 1 . . . A 319 GLU CG . 19363 1 138 . 1 1 14 14 GLU N N 15 119.028 0.400 . 1 . . . A 319 GLU N . 19363 1 139 . 1 1 15 15 GLU H H 1 8.129 0.040 . 1 . . . A 320 GLU H . 19363 1 140 . 1 1 15 15 GLU HA H 1 4.114 0.040 . 1 . . . A 320 GLU HA . 19363 1 141 . 1 1 15 15 GLU HB3 H 1 2.141 0.040 . 2 . . . A 320 GLU HB3 . 19363 1 142 . 1 1 15 15 GLU HG2 H 1 2.322 0.040 . 2 . . . A 320 GLU HG2 . 19363 1 143 . 1 1 15 15 GLU HG3 H 1 2.322 0.040 . 2 . . . A 320 GLU HG3 . 19363 1 144 . 1 1 15 15 GLU C C 13 178.467 0.400 . 1 . . . A 320 GLU C . 19363 1 145 . 1 1 15 15 GLU CA C 13 59.23 0.400 . 1 . . . A 320 GLU CA . 19363 1 146 . 1 1 15 15 GLU CB C 13 29.334 0.400 . 1 . . . A 320 GLU CB . 19363 1 147 . 1 1 15 15 GLU CG C 13 36.029 0.400 . 1 . . . A 320 GLU CG . 19363 1 148 . 1 1 15 15 GLU N N 15 119.863 0.400 . 1 . . . A 320 GLU N . 19363 1 149 . 1 1 16 16 LEU H H 1 8.046 0.040 . 1 . . . A 321 LEU H . 19363 1 150 . 1 1 16 16 LEU HA H 1 4.18 0.040 . 1 . . . A 321 LEU HA . 19363 1 151 . 1 1 16 16 LEU HB2 H 1 1.688 0.040 . 2 . . . A 321 LEU HB2 . 19363 1 152 . 1 1 16 16 LEU HB3 H 1 1.846 0.040 . 2 . . . A 321 LEU HB3 . 19363 1 153 . 1 1 16 16 LEU HD11 H 1 0.889 0.040 . 2 . . . A 321 LEU HD11 . 19363 1 154 . 1 1 16 16 LEU HD12 H 1 0.889 0.040 . 2 . . . A 321 LEU HD12 . 19363 1 155 . 1 1 16 16 LEU HD13 H 1 0.889 0.040 . 2 . . . A 321 LEU HD13 . 19363 1 156 . 1 1 16 16 LEU HD21 H 1 0.888 0.040 . 2 . . . A 321 LEU HD21 . 19363 1 157 . 1 1 16 16 LEU HD22 H 1 0.888 0.040 . 2 . . . A 321 LEU HD22 . 19363 1 158 . 1 1 16 16 LEU HD23 H 1 0.888 0.040 . 2 . . . A 321 LEU HD23 . 19363 1 159 . 1 1 16 16 LEU C C 13 179.401 0.400 . 1 . . . A 321 LEU C . 19363 1 160 . 1 1 16 16 LEU CA C 13 57.849 0.400 . 1 . . . A 321 LEU CA . 19363 1 161 . 1 1 16 16 LEU CB C 13 41.682 0.001 . 1 . . . A 321 LEU CB . 19363 1 162 . 1 1 16 16 LEU CD1 C 13 24.314 0.400 . 2 . . . A 321 LEU CD1 . 19363 1 163 . 1 1 16 16 LEU CD2 C 13 24.453 0.400 . 2 . . . A 321 LEU CD2 . 19363 1 164 . 1 1 16 16 LEU N N 15 119.201 0.400 . 1 . . . A 321 LEU N . 19363 1 165 . 1 1 17 17 GLU H H 1 8.076 0.040 . 1 . . . A 322 GLU H . 19363 1 166 . 1 1 17 17 GLU HA H 1 4.127 0.040 . 1 . . . A 322 GLU HA . 19363 1 167 . 1 1 17 17 GLU HB2 H 1 2.242 0.040 . 2 . . . A 322 GLU HB2 . 19363 1 168 . 1 1 17 17 GLU HB3 H 1 2.208 0.040 . 2 . . . A 322 GLU HB3 . 19363 1 169 . 1 1 17 17 GLU HG2 H 1 2.473 0.040 . 2 . . . A 322 GLU HG2 . 19363 1 170 . 1 1 17 17 GLU HG3 H 1 2.473 0.040 . 2 . . . A 322 GLU HG3 . 19363 1 171 . 1 1 17 17 GLU C C 13 178.942 0.400 . 1 . . . A 322 GLU C . 19363 1 172 . 1 1 17 17 GLU CA C 13 59.319 0.400 . 1 . . . A 322 GLU CA . 19363 1 173 . 1 1 17 17 GLU CB C 13 28.763 0.002 . 1 . . . A 322 GLU CB . 19363 1 174 . 1 1 17 17 GLU CG C 13 35.548 0.400 . 1 . . . A 322 GLU CG . 19363 1 175 . 1 1 17 17 GLU N N 15 118.917 0.400 . 1 . . . A 322 GLU N . 19363 1 176 . 1 1 18 18 GLN H H 1 7.837 0.040 . 1 . . . A 323 GLN H . 19363 1 177 . 1 1 18 18 GLN HA H 1 4.131 0.040 . 1 . . . A 323 GLN HA . 19363 1 178 . 1 1 18 18 GLN HB2 H 1 2.291 0.040 . 2 . . . A 323 GLN HB2 . 19363 1 179 . 1 1 18 18 GLN HB3 H 1 2.204 0.040 . 2 . . . A 323 GLN HB3 . 19363 1 180 . 1 1 18 18 GLN HG2 H 1 2.591 0.040 . 2 . . . A 323 GLN HG2 . 19363 1 181 . 1 1 18 18 GLN HG3 H 1 2.486 0.040 . 2 . . . A 323 GLN HG3 . 19363 1 182 . 1 1 18 18 GLN C C 13 179.146 0.400 . 1 . . . A 323 GLN C . 19363 1 183 . 1 1 18 18 GLN CA C 13 59.052 0.400 . 1 . . . A 323 GLN CA . 19363 1 184 . 1 1 18 18 GLN CB C 13 28.29 0.002 . 1 . . . A 323 GLN CB . 19363 1 185 . 1 1 18 18 GLN CG C 13 34.081 0.012 . 1 . . . A 323 GLN CG . 19363 1 186 . 1 1 18 18 GLN N N 15 118.136 0.400 . 1 . . . A 323 GLN N . 19363 1 187 . 1 1 19 19 VAL H H 1 8.019 0.040 . 1 . . . A 324 VAL H . 19363 1 188 . 1 1 19 19 VAL HA H 1 3.694 0.040 . 1 . . . A 324 VAL HA . 19363 1 189 . 1 1 19 19 VAL HB H 1 2.246 0.040 . 1 . . . A 324 VAL HB . 19363 1 190 . 1 1 19 19 VAL HG11 H 1 1.045 0.040 . 2 . . . A 324 VAL HG11 . 19363 1 191 . 1 1 19 19 VAL HG12 H 1 1.045 0.040 . 2 . . . A 324 VAL HG12 . 19363 1 192 . 1 1 19 19 VAL HG13 H 1 1.045 0.040 . 2 . . . A 324 VAL HG13 . 19363 1 193 . 1 1 19 19 VAL HG21 H 1 0.914 0.040 . 2 . . . A 324 VAL HG21 . 19363 1 194 . 1 1 19 19 VAL HG22 H 1 0.914 0.040 . 2 . . . A 324 VAL HG22 . 19363 1 195 . 1 1 19 19 VAL HG23 H 1 0.914 0.040 . 2 . . . A 324 VAL HG23 . 19363 1 196 . 1 1 19 19 VAL C C 13 177.431 0.400 . 1 . . . A 324 VAL C . 19363 1 197 . 1 1 19 19 VAL CA C 13 66.456 0.400 . 1 . . . A 324 VAL CA . 19363 1 198 . 1 1 19 19 VAL CB C 13 31.54 0.400 . 1 . . . A 324 VAL CB . 19363 1 199 . 1 1 19 19 VAL CG1 C 13 22.169 0.400 . 2 . . . A 324 VAL CG1 . 19363 1 200 . 1 1 19 19 VAL CG2 C 13 21.033 0.400 . 2 . . . A 324 VAL CG2 . 19363 1 201 . 1 1 19 19 VAL N N 15 121.469 0.400 . 1 . . . A 324 VAL N . 19363 1 202 . 1 1 20 20 ARG H H 1 8.382 0.040 . 1 . . . A 325 ARG H . 19363 1 203 . 1 1 20 20 ARG HA H 1 3.869 0.040 . 1 . . . A 325 ARG HA . 19363 1 204 . 1 1 20 20 ARG HB2 H 1 1.939 0.040 . 2 . . . A 325 ARG HB2 . 19363 1 205 . 1 1 20 20 ARG HB3 H 1 1.986 0.040 . 2 . . . A 325 ARG HB3 . 19363 1 206 . 1 1 20 20 ARG HG2 H 1 1.511 0.040 . 2 . . . A 325 ARG HG2 . 19363 1 207 . 1 1 20 20 ARG HG3 H 1 1.754 0.040 . 2 . . . A 325 ARG HG3 . 19363 1 208 . 1 1 20 20 ARG HD2 H 1 2.987 0.040 . 2 . . . A 325 ARG HD2 . 19363 1 209 . 1 1 20 20 ARG HD3 H 1 2.987 0.040 . 2 . . . A 325 ARG HD3 . 19363 1 210 . 1 1 20 20 ARG C C 13 178.908 0.400 . 1 . . . A 325 ARG C . 19363 1 211 . 1 1 20 20 ARG CA C 13 60.402 0.400 . 1 . . . A 325 ARG CA . 19363 1 212 . 1 1 20 20 ARG CB C 13 30.135 0.003 . 1 . . . A 325 ARG CB . 19363 1 213 . 1 1 20 20 ARG CG C 13 27.905 0.03 . 1 . . . A 325 ARG CG . 19363 1 214 . 1 1 20 20 ARG CD C 13 43.542 0.400 . 1 . . . A 325 ARG CD . 19363 1 215 . 1 1 20 20 ARG N N 15 119.067 0.400 . 1 . . . A 325 ARG N . 19363 1 216 . 1 1 21 21 GLU H H 1 8.086 0.040 . 1 . . . A 326 GLU H . 19363 1 217 . 1 1 21 21 GLU HA H 1 4.167 0.040 . 1 . . . A 326 GLU HA . 19363 1 218 . 1 1 21 21 GLU HB2 H 1 2.176 0.040 . 2 . . . A 326 GLU HB2 . 19363 1 219 . 1 1 21 21 GLU HB3 H 1 2.176 0.040 . 2 . . . A 326 GLU HB3 . 19363 1 220 . 1 1 21 21 GLU HG2 H 1 2.428 0.040 . 2 . . . A 326 GLU HG2 . 19363 1 221 . 1 1 21 21 GLU HG3 H 1 2.428 0.040 . 2 . . . A 326 GLU HG3 . 19363 1 222 . 1 1 21 21 GLU C C 13 178.62 0.400 . 1 . . . A 326 GLU C . 19363 1 223 . 1 1 21 21 GLU CA C 13 59.052 0.400 . 1 . . . A 326 GLU CA . 19363 1 224 . 1 1 21 21 GLU CB C 13 29.176 0.400 . 1 . . . A 326 GLU CB . 19363 1 225 . 1 1 21 21 GLU CG C 13 35.561 0.400 . 1 . . . A 326 GLU CG . 19363 1 226 . 1 1 21 21 GLU N N 15 117.907 0.400 . 1 . . . A 326 GLU N . 19363 1 227 . 1 1 22 22 ALA H H 1 8.012 0.040 . 1 . . . A 327 ALA H . 19363 1 228 . 1 1 22 22 ALA HA H 1 4.164 0.040 . 1 . . . A 327 ALA HA . 19363 1 229 . 1 1 22 22 ALA HB1 H 1 1.605 0.040 . 1 . . . A 327 ALA HB1 . 19363 1 230 . 1 1 22 22 ALA HB2 H 1 1.605 0.040 . 1 . . . A 327 ALA HB2 . 19363 1 231 . 1 1 22 22 ALA HB3 H 1 1.605 0.040 . 1 . . . A 327 ALA HB3 . 19363 1 232 . 1 1 22 22 ALA C C 13 180.845 0.400 . 1 . . . A 327 ALA C . 19363 1 233 . 1 1 22 22 ALA CA C 13 55.352 0.400 . 1 . . . A 327 ALA CA . 19363 1 234 . 1 1 22 22 ALA CB C 13 17.593 0.400 . 1 . . . A 327 ALA CB . 19363 1 235 . 1 1 22 22 ALA N N 15 123.254 0.400 . 1 . . . A 327 ALA N . 19363 1 236 . 1 1 23 23 LEU H H 1 8.547 0.040 . 1 . . . A 328 LEU H . 19363 1 237 . 1 1 23 23 LEU HA H 1 4.194 0.040 . 1 . . . A 328 LEU HA . 19363 1 238 . 1 1 23 23 LEU HB2 H 1 1.55 0.040 . 2 . . . A 328 LEU HB2 . 19363 1 239 . 1 1 23 23 LEU HB3 H 1 2.011 0.040 . 2 . . . A 328 LEU HB3 . 19363 1 240 . 1 1 23 23 LEU HG H 1 1.888 0.040 . 1 . . . A 328 LEU HG . 19363 1 241 . 1 1 23 23 LEU HD11 H 1 0.779 0.040 . 2 . . . A 328 LEU HD11 . 19363 1 242 . 1 1 23 23 LEU HD12 H 1 0.779 0.040 . 2 . . . A 328 LEU HD12 . 19363 1 243 . 1 1 23 23 LEU HD13 H 1 0.779 0.040 . 2 . . . A 328 LEU HD13 . 19363 1 244 . 1 1 23 23 LEU HD21 H 1 0.795 0.040 . 2 . . . A 328 LEU HD21 . 19363 1 245 . 1 1 23 23 LEU HD22 H 1 0.795 0.040 . 2 . . . A 328 LEU HD22 . 19363 1 246 . 1 1 23 23 LEU HD23 H 1 0.795 0.040 . 2 . . . A 328 LEU HD23 . 19363 1 247 . 1 1 23 23 LEU C C 13 179.537 0.400 . 1 . . . A 328 LEU C . 19363 1 248 . 1 1 23 23 LEU CA C 13 57.927 0.400 . 1 . . . A 328 LEU CA . 19363 1 249 . 1 1 23 23 LEU CB C 13 41.59 0.001 . 1 . . . A 328 LEU CB . 19363 1 250 . 1 1 23 23 LEU CG C 13 26.763 0.400 . 1 . . . A 328 LEU CG . 19363 1 251 . 1 1 23 23 LEU CD1 C 13 25.5 0.400 . 2 . . . A 328 LEU CD1 . 19363 1 252 . 1 1 23 23 LEU CD2 C 13 22.564 0.400 . 2 . . . A 328 LEU CD2 . 19363 1 253 . 1 1 23 23 LEU N N 15 119.188 0.400 . 1 . . . A 328 LEU N . 19363 1 254 . 1 1 24 24 ARG H H 1 8.255 0.040 . 1 . . . A 329 ARG H . 19363 1 255 . 1 1 24 24 ARG HA H 1 4.197 0.040 . 1 . . . A 329 ARG HA . 19363 1 256 . 1 1 24 24 ARG HB2 H 1 1.992 0.040 . 2 . . . A 329 ARG HB2 . 19363 1 257 . 1 1 24 24 ARG HB3 H 1 2.046 0.040 . 2 . . . A 329 ARG HB3 . 19363 1 258 . 1 1 24 24 ARG HG2 H 1 1.707 0.040 . 2 . . . A 329 ARG HG2 . 19363 1 259 . 1 1 24 24 ARG HG3 H 1 1.903 0.040 . 2 . . . A 329 ARG HG3 . 19363 1 260 . 1 1 24 24 ARG HD2 H 1 3.233 0.040 . 2 . . . A 329 ARG HD2 . 19363 1 261 . 1 1 24 24 ARG HD3 H 1 3.275 0.040 . 2 . . . A 329 ARG HD3 . 19363 1 262 . 1 1 24 24 ARG C C 13 179.435 0.400 . 1 . . . A 329 ARG C . 19363 1 263 . 1 1 24 24 ARG CA C 13 59.445 0.400 . 1 . . . A 329 ARG CA . 19363 1 264 . 1 1 24 24 ARG CB C 13 30.075 0.002 . 1 . . . A 329 ARG CB . 19363 1 265 . 1 1 24 24 ARG CG C 13 27.694 0.009 . 1 . . . A 329 ARG CG . 19363 1 266 . 1 1 24 24 ARG CD C 13 43.436 0.400 . 1 . . . A 329 ARG CD . 19363 1 267 . 1 1 24 24 ARG N N 15 120.052 0.400 . 1 . . . A 329 ARG N . 19363 1 268 . 1 1 25 25 LYS H H 1 8.07 0.040 . 1 . . . A 330 LYS H . 19363 1 269 . 1 1 25 25 LYS HA H 1 4.013 0.040 . 1 . . . A 330 LYS HA . 19363 1 270 . 1 1 25 25 LYS HB2 H 1 1.994 0.040 . 2 . . . A 330 LYS HB2 . 19363 1 271 . 1 1 25 25 LYS HB3 H 1 1.983 0.040 . 2 . . . A 330 LYS HB3 . 19363 1 272 . 1 1 25 25 LYS HG2 H 1 1.697 0.040 . 2 . . . A 330 LYS HG2 . 19363 1 273 . 1 1 25 25 LYS HG3 H 1 1.461 0.040 . 2 . . . A 330 LYS HG3 . 19363 1 274 . 1 1 25 25 LYS HD2 H 1 1.727 0.040 . 2 . . . A 330 LYS HD2 . 19363 1 275 . 1 1 25 25 LYS HD3 H 1 1.727 0.040 . 2 . . . A 330 LYS HD3 . 19363 1 276 . 1 1 25 25 LYS HE2 H 1 2.983 0.040 . 2 . . . A 330 LYS HE2 . 19363 1 277 . 1 1 25 25 LYS HE3 H 1 2.983 0.040 . 2 . . . A 330 LYS HE3 . 19363 1 278 . 1 1 25 25 LYS C C 13 178.976 0.400 . 1 . . . A 330 LYS C . 19363 1 279 . 1 1 25 25 LYS CA C 13 59.849 0.400 . 1 . . . A 330 LYS CA . 19363 1 280 . 1 1 25 25 LYS CB C 13 32.23 0.002 . 1 . . . A 330 LYS CB . 19363 1 281 . 1 1 25 25 LYS CG C 13 25.592 0.008 . 1 . . . A 330 LYS CG . 19363 1 282 . 1 1 25 25 LYS CD C 13 29.414 0.400 . 1 . . . A 330 LYS CD . 19363 1 283 . 1 1 25 25 LYS CE C 13 42.197 0.400 . 1 . . . A 330 LYS CE . 19363 1 284 . 1 1 25 25 LYS N N 15 119.711 0.400 . 1 . . . A 330 LYS N . 19363 1 285 . 1 1 26 26 ALA H H 1 8.157 0.040 . 1 . . . A 331 ALA H . 19363 1 286 . 1 1 26 26 ALA HA H 1 4.125 0.040 . 1 . . . A 331 ALA HA . 19363 1 287 . 1 1 26 26 ALA HB1 H 1 1.541 0.040 . 1 . . . A 331 ALA HB1 . 19363 1 288 . 1 1 26 26 ALA HB2 H 1 1.541 0.040 . 1 . . . A 331 ALA HB2 . 19363 1 289 . 1 1 26 26 ALA HB3 H 1 1.541 0.040 . 1 . . . A 331 ALA HB3 . 19363 1 290 . 1 1 26 26 ALA C C 13 179.282 0.400 . 1 . . . A 331 ALA C . 19363 1 291 . 1 1 26 26 ALA CA C 13 54.961 0.400 . 1 . . . A 331 ALA CA . 19363 1 292 . 1 1 26 26 ALA CB C 13 17.874 0.400 . 1 . . . A 331 ALA CB . 19363 1 293 . 1 1 26 26 ALA N N 15 122.193 0.400 . 1 . . . A 331 ALA N . 19363 1 294 . 1 1 27 27 GLU H H 1 8.327 0.040 . 1 . . . A 332 GLU H . 19363 1 295 . 1 1 27 27 GLU HA H 1 3.579 0.040 . 1 . . . A 332 GLU HA . 19363 1 296 . 1 1 27 27 GLU HB2 H 1 2.178 0.040 . 2 . . . A 332 GLU HB2 . 19363 1 297 . 1 1 27 27 GLU HB3 H 1 2.178 0.040 . 2 . . . A 332 GLU HB3 . 19363 1 298 . 1 1 27 27 GLU HG2 H 1 2.242 0.040 . 2 . . . A 332 GLU HG2 . 19363 1 299 . 1 1 27 27 GLU HG3 H 1 2.127 0.040 . 2 . . . A 332 GLU HG3 . 19363 1 300 . 1 1 27 27 GLU C C 13 178.11 0.400 . 1 . . . A 332 GLU C . 19363 1 301 . 1 1 27 27 GLU CA C 13 59.676 0.400 . 1 . . . A 332 GLU CA . 19363 1 302 . 1 1 27 27 GLU CB C 13 28.755 0.400 . 1 . . . A 332 GLU CB . 19363 1 303 . 1 1 27 27 GLU CG C 13 34.627 0.004 . 1 . . . A 332 GLU CG . 19363 1 304 . 1 1 27 27 GLU N N 15 117.825 0.400 . 1 . . . A 332 GLU N . 19363 1 305 . 1 1 28 28 LYS H H 1 7.729 0.040 . 1 . . . A 333 LYS H . 19363 1 306 . 1 1 28 28 LYS HA H 1 4.062 0.040 . 1 . . . A 333 LYS HA . 19363 1 307 . 1 1 28 28 LYS HB2 H 1 1.958 0.040 . 2 . . . A 333 LYS HB2 . 19363 1 308 . 1 1 28 28 LYS HB3 H 1 1.958 0.040 . 2 . . . A 333 LYS HB3 . 19363 1 309 . 1 1 28 28 LYS HG2 H 1 1.573 0.040 . 2 . . . A 333 LYS HG2 . 19363 1 310 . 1 1 28 28 LYS HG3 H 1 1.573 0.040 . 2 . . . A 333 LYS HG3 . 19363 1 311 . 1 1 28 28 LYS HD2 H 1 1.52 0.040 . 2 . . . A 333 LYS HD2 . 19363 1 312 . 1 1 28 28 LYS HD3 H 1 1.52 0.040 . 2 . . . A 333 LYS HD3 . 19363 1 313 . 1 1 28 28 LYS HE2 H 1 2.956 0.040 . 2 . . . A 333 LYS HE2 . 19363 1 314 . 1 1 28 28 LYS HE3 H 1 2.956 0.040 . 2 . . . A 333 LYS HE3 . 19363 1 315 . 1 1 28 28 LYS C C 13 179.622 0.400 . 1 . . . A 333 LYS C . 19363 1 316 . 1 1 28 28 LYS CA C 13 58.316 0.400 . 1 . . . A 333 LYS CA . 19363 1 317 . 1 1 28 28 LYS CB C 13 31.671 0.400 . 1 . . . A 333 LYS CB . 19363 1 318 . 1 1 28 28 LYS CG C 13 24.56 0.400 . 1 . . . A 333 LYS CG . 19363 1 319 . 1 1 28 28 LYS CD C 13 28.732 0.400 . 1 . . . A 333 LYS CD . 19363 1 320 . 1 1 28 28 LYS CE C 13 42.11 0.400 . 1 . . . A 333 LYS CE . 19363 1 321 . 1 1 28 28 LYS N N 15 117.578 0.400 . 1 . . . A 333 LYS N . 19363 1 322 . 1 1 29 29 GLU H H 1 7.926 0.040 . 1 . . . A 334 GLU H . 19363 1 323 . 1 1 29 29 GLU HA H 1 4.135 0.040 . 1 . . . A 334 GLU HA . 19363 1 324 . 1 1 29 29 GLU HB2 H 1 2.176 0.040 . 2 . . . A 334 GLU HB2 . 19363 1 325 . 1 1 29 29 GLU HB3 H 1 2.162 0.040 . 2 . . . A 334 GLU HB3 . 19363 1 326 . 1 1 29 29 GLU HG2 H 1 2.35 0.040 . 2 . . . A 334 GLU HG2 . 19363 1 327 . 1 1 29 29 GLU HG3 H 1 2.35 0.040 . 2 . . . A 334 GLU HG3 . 19363 1 328 . 1 1 29 29 GLU C C 13 179.078 0.400 . 1 . . . A 334 GLU C . 19363 1 329 . 1 1 29 29 GLU CA C 13 58.874 0.400 . 1 . . . A 334 GLU CA . 19363 1 330 . 1 1 29 29 GLU CB C 13 28.957 0.003 . 1 . . . A 334 GLU CB . 19363 1 331 . 1 1 29 29 GLU CG C 13 35.542 0.400 . 1 . . . A 334 GLU CG . 19363 1 332 . 1 1 29 29 GLU N N 15 120.301 0.400 . 1 . . . A 334 GLU N . 19363 1 333 . 1 1 30 30 LEU H H 1 8.181 0.040 . 1 . . . A 335 LEU H . 19363 1 334 . 1 1 30 30 LEU HA H 1 3.969 0.040 . 1 . . . A 335 LEU HA . 19363 1 335 . 1 1 30 30 LEU HB2 H 1 1.355 0.040 . 2 . . . A 335 LEU HB2 . 19363 1 336 . 1 1 30 30 LEU HB3 H 1 1.684 0.040 . 2 . . . A 335 LEU HB3 . 19363 1 337 . 1 1 30 30 LEU HG H 1 1.554 0.040 . 1 . . . A 335 LEU HG . 19363 1 338 . 1 1 30 30 LEU HD11 H 1 0.526 0.040 . 2 . . . A 335 LEU HD11 . 19363 1 339 . 1 1 30 30 LEU HD12 H 1 0.526 0.040 . 2 . . . A 335 LEU HD12 . 19363 1 340 . 1 1 30 30 LEU HD13 H 1 0.526 0.040 . 2 . . . A 335 LEU HD13 . 19363 1 341 . 1 1 30 30 LEU HD21 H 1 0.567 0.040 . 2 . . . A 335 LEU HD21 . 19363 1 342 . 1 1 30 30 LEU HD22 H 1 0.567 0.040 . 2 . . . A 335 LEU HD22 . 19363 1 343 . 1 1 30 30 LEU HD23 H 1 0.567 0.040 . 2 . . . A 335 LEU HD23 . 19363 1 344 . 1 1 30 30 LEU C C 13 179.061 0.400 . 1 . . . A 335 LEU C . 19363 1 345 . 1 1 30 30 LEU CA C 13 57.901 0.400 . 1 . . . A 335 LEU CA . 19363 1 346 . 1 1 30 30 LEU CB C 13 41.515 0.001 . 1 . . . A 335 LEU CB . 19363 1 347 . 1 1 30 30 LEU CG C 13 26.65 0.400 . 1 . . . A 335 LEU CG . 19363 1 348 . 1 1 30 30 LEU CD1 C 13 24.459 0.400 . 2 . . . A 335 LEU CD1 . 19363 1 349 . 1 1 30 30 LEU CD2 C 13 22.964 0.400 . 2 . . . A 335 LEU CD2 . 19363 1 350 . 1 1 30 30 LEU N N 15 120.877 0.400 . 1 . . . A 335 LEU N . 19363 1 351 . 1 1 31 31 GLU H H 1 8.139 0.040 . 1 . . . A 336 GLU H . 19363 1 352 . 1 1 31 31 GLU HA H 1 3.984 0.040 . 1 . . . A 336 GLU HA . 19363 1 353 . 1 1 31 31 GLU HB2 H 1 2.121 0.040 . 2 . . . A 336 GLU HB2 . 19363 1 354 . 1 1 31 31 GLU HB3 H 1 2.121 0.040 . 2 . . . A 336 GLU HB3 . 19363 1 355 . 1 1 31 31 GLU HG2 H 1 2.461 0.040 . 2 . . . A 336 GLU HG2 . 19363 1 356 . 1 1 31 31 GLU HG3 H 1 2.27 0.040 . 2 . . . A 336 GLU HG3 . 19363 1 357 . 1 1 31 31 GLU C C 13 178.263 0.400 . 1 . . . A 336 GLU C . 19363 1 358 . 1 1 31 31 GLU CA C 13 58.625 0.400 . 1 . . . A 336 GLU CA . 19363 1 359 . 1 1 31 31 GLU CB C 13 29.368 0.400 . 1 . . . A 336 GLU CB . 19363 1 360 . 1 1 31 31 GLU CG C 13 35.756 0.400 . 1 . . . A 336 GLU CG . 19363 1 361 . 1 1 31 31 GLU N N 15 117.199 0.400 . 1 . . . A 336 GLU N . 19363 1 362 . 1 1 32 32 SER H H 1 7.787 0.040 . 1 . . . A 337 SER H . 19363 1 363 . 1 1 32 32 SER HA H 1 4.334 0.040 . 1 . . . A 337 SER HA . 19363 1 364 . 1 1 32 32 SER HB2 H 1 3.817 0.040 . 2 . . . A 337 SER HB2 . 19363 1 365 . 1 1 32 32 SER HB3 H 1 3.846 0.040 . 2 . . . A 337 SER HB3 . 19363 1 366 . 1 1 32 32 SER C C 13 174.747 0.400 . 1 . . . A 337 SER C . 19363 1 367 . 1 1 32 32 SER CA C 13 59.888 0.400 . 1 . . . A 337 SER CA . 19363 1 368 . 1 1 32 32 SER CB C 13 63.634 0.400 . 1 . . . A 337 SER CB . 19363 1 369 . 1 1 32 32 SER N N 15 112.635 0.400 . 1 . . . A 337 SER N . 19363 1 370 . 1 1 33 33 HIS H H 1 7.829 0.040 . 1 . . . A 338 HIS H . 19363 1 371 . 1 1 33 33 HIS HA H 1 4.754 0.040 . 1 . . . A 338 HIS HA . 19363 1 372 . 1 1 33 33 HIS HB2 H 1 3.075 0.040 . 2 . . . A 338 HIS HB2 . 19363 1 373 . 1 1 33 33 HIS HB3 H 1 3.021 0.040 . 2 . . . A 338 HIS HB3 . 19363 1 374 . 1 1 33 33 HIS C C 13 174.73 0.400 . 1 . . . A 338 HIS C . 19363 1 375 . 1 1 33 33 HIS CA C 13 55.223 0.400 . 1 . . . A 338 HIS CA . 19363 1 376 . 1 1 33 33 HIS CB C 13 28.533 0.003 . 1 . . . A 338 HIS CB . 19363 1 377 . 1 1 33 33 HIS N N 15 118.553 0.400 . 1 . . . A 338 HIS N . 19363 1 378 . 1 1 34 34 SER H H 1 7.968 0.040 . 1 . . . A 339 SER H . 19363 1 379 . 1 1 34 34 SER HA H 1 4.341 0.040 . 1 . . . A 339 SER HA . 19363 1 380 . 1 1 34 34 SER HB2 H 1 3.92 0.040 . 2 . . . A 339 SER HB2 . 19363 1 381 . 1 1 34 34 SER HB3 H 1 3.973 0.040 . 2 . . . A 339 SER HB3 . 19363 1 382 . 1 1 34 34 SER C C 13 175.087 0.400 . 1 . . . A 339 SER C . 19363 1 383 . 1 1 34 34 SER CA C 13 60.223 0.400 . 1 . . . A 339 SER CA . 19363 1 384 . 1 1 34 34 SER CB C 13 63.446 0.400 . 1 . . . A 339 SER CB . 19363 1 385 . 1 1 34 34 SER N N 15 115.449 0.400 . 1 . . . A 339 SER N . 19363 1 386 . 1 1 35 35 SER H H 1 8.13 0.040 . 1 . . . A 340 SER H . 19363 1 387 . 1 1 35 35 SER HA H 1 4.422 0.040 . 1 . . . A 340 SER HA . 19363 1 388 . 1 1 35 35 SER HB2 H 1 3.844 0.040 . 2 . . . A 340 SER HB2 . 19363 1 389 . 1 1 35 35 SER HB3 H 1 3.896 0.040 . 2 . . . A 340 SER HB3 . 19363 1 390 . 1 1 35 35 SER C C 13 174.509 0.400 . 1 . . . A 340 SER C . 19363 1 391 . 1 1 35 35 SER CA C 13 59.193 0.400 . 1 . . . A 340 SER CA . 19363 1 392 . 1 1 35 35 SER CB C 13 63.502 0.400 . 1 . . . A 340 SER CB . 19363 1 393 . 1 1 35 35 SER N N 15 115.492 0.400 . 1 . . . A 340 SER N . 19363 1 394 . 1 1 36 36 TRP H H 1 7.94 0.040 . 1 . . . A 341 TRP H . 19363 1 395 . 1 1 36 36 TRP HA H 1 4.598 0.040 . 1 . . . A 341 TRP HA . 19363 1 396 . 1 1 36 36 TRP HB2 H 1 3.136 0.040 . 2 . . . A 341 TRP HB2 . 19363 1 397 . 1 1 36 36 TRP HB3 H 1 3.11 0.040 . 2 . . . A 341 TRP HB3 . 19363 1 398 . 1 1 36 36 TRP HD1 H 1 7.072 0.040 . 1 . . . A 341 TRP HD1 . 19363 1 399 . 1 1 36 36 TRP HE1 H 1 9.921 0.040 . 1 . . . A 341 TRP HE1 . 19363 1 400 . 1 1 36 36 TRP HE3 H 1 7.459 0.040 . 1 . . . A 341 TRP HE3 . 19363 1 401 . 1 1 36 36 TRP HZ2 H 1 7.348 0.040 . 1 . . . A 341 TRP HZ2 . 19363 1 402 . 1 1 36 36 TRP HZ3 H 1 7.08 0.040 . 1 . . . A 341 TRP HZ3 . 19363 1 403 . 1 1 36 36 TRP C C 13 175.444 0.400 . 1 . . . A 341 TRP C . 19363 1 404 . 1 1 36 36 TRP CA C 13 57.187 0.400 . 1 . . . A 341 TRP CA . 19363 1 405 . 1 1 36 36 TRP CB C 13 29.442 0.400 . 1 . . . A 341 TRP CB . 19363 1 406 . 1 1 36 36 TRP CD1 C 13 125.147 0.400 . 1 . . . A 341 TRP CD1 . 19363 1 407 . 1 1 36 36 TRP CE3 C 13 120.235 0.400 . 1 . . . A 341 TRP CE3 . 19363 1 408 . 1 1 36 36 TRP CZ2 C 13 113.997 0.400 . 1 . . . A 341 TRP CZ2 . 19363 1 409 . 1 1 36 36 TRP CZ3 C 13 124.085 0.400 . 1 . . . A 341 TRP CZ3 . 19363 1 410 . 1 1 36 36 TRP N N 15 121.143 0.400 . 1 . . . A 341 TRP N . 19363 1 411 . 1 1 36 36 TRP NE1 N 15 127.952 0.400 . 1 . . . A 341 TRP NE1 . 19363 1 412 . 1 1 37 37 TYR H H 1 7.495 0.040 . 1 . . . A 342 TYR H . 19363 1 413 . 1 1 37 37 TYR HA H 1 4.574 0.040 . 1 . . . A 342 TYR HA . 19363 1 414 . 1 1 37 37 TYR HB2 H 1 2.925 0.040 . 2 . . . A 342 TYR HB2 . 19363 1 415 . 1 1 37 37 TYR HB3 H 1 2.785 0.040 . 2 . . . A 342 TYR HB3 . 19363 1 416 . 1 1 37 37 TYR HD1 H 1 7.058 0.040 . 3 . . . A 342 TYR HD1 . 19363 1 417 . 1 1 37 37 TYR HE2 H 1 6.802 0.040 . 3 . . . A 342 TYR HE2 . 19363 1 418 . 1 1 37 37 TYR C C 13 174.577 0.400 . 1 . . . A 342 TYR C . 19363 1 419 . 1 1 37 37 TYR CA C 13 57.251 0.400 . 1 . . . A 342 TYR CA . 19363 1 420 . 1 1 37 37 TYR CB C 13 39.425 0.400 . 1 . . . A 342 TYR CB . 19363 1 421 . 1 1 37 37 TYR CD1 C 13 133.643 0.400 . 3 . . . A 342 TYR CD1 . 19363 1 422 . 1 1 37 37 TYR CE2 C 13 117.714 0.400 . 3 . . . A 342 TYR CE2 . 19363 1 423 . 1 1 37 37 TYR N N 15 118.917 0.400 . 1 . . . A 342 TYR N . 19363 1 424 . 1 1 38 38 ALA H H 1 7.923 0.040 . 1 . . . A 343 ALA H . 19363 1 425 . 1 1 38 38 ALA HA H 1 4.552 0.040 . 1 . . . A 343 ALA HA . 19363 1 426 . 1 1 38 38 ALA HB1 H 1 1.479 0.040 . 1 . . . A 343 ALA HB1 . 19363 1 427 . 1 1 38 38 ALA HB2 H 1 1.479 0.040 . 1 . . . A 343 ALA HB2 . 19363 1 428 . 1 1 38 38 ALA HB3 H 1 1.479 0.040 . 1 . . . A 343 ALA HB3 . 19363 1 429 . 1 1 38 38 ALA CA C 13 51.139 0.400 . 1 . . . A 343 ALA CA . 19363 1 430 . 1 1 38 38 ALA CB C 13 17.985 0.400 . 1 . . . A 343 ALA CB . 19363 1 431 . 1 1 38 38 ALA N N 15 125.09 0.400 . 1 . . . A 343 ALA N . 19363 1 432 . 1 1 39 39 PRO HA H 1 4.296 0.040 . 1 . . . A 344 PRO HA . 19363 1 433 . 1 1 39 39 PRO HB2 H 1 2.398 0.040 . 2 . . . A 344 PRO HB2 . 19363 1 434 . 1 1 39 39 PRO HB3 H 1 1.966 0.040 . 2 . . . A 344 PRO HB3 . 19363 1 435 . 1 1 39 39 PRO HG2 H 1 2.174 0.040 . 2 . . . A 344 PRO HG2 . 19363 1 436 . 1 1 39 39 PRO HG3 H 1 2.058 0.040 . 2 . . . A 344 PRO HG3 . 19363 1 437 . 1 1 39 39 PRO HD2 H 1 3.766 0.040 . 2 . . . A 344 PRO HD2 . 19363 1 438 . 1 1 39 39 PRO HD3 H 1 3.734 0.040 . 2 . . . A 344 PRO HD3 . 19363 1 439 . 1 1 39 39 PRO C C 13 178.28 0.400 . 1 . . . A 344 PRO C . 19363 1 440 . 1 1 39 39 PRO CA C 13 65.382 0.400 . 1 . . . A 344 PRO CA . 19363 1 441 . 1 1 39 39 PRO CB C 13 31.493 0.003 . 1 . . . A 344 PRO CB . 19363 1 442 . 1 1 39 39 PRO CG C 13 27.63 0.005 . 1 . . . A 344 PRO CG . 19363 1 443 . 1 1 39 39 PRO CD C 13 50.216 0.001 . 1 . . . A 344 PRO CD . 19363 1 444 . 1 1 40 40 GLU H H 1 8.81 0.040 . 1 . . . A 345 GLU H . 19363 1 445 . 1 1 40 40 GLU HA H 1 4.111 0.040 . 1 . . . A 345 GLU HA . 19363 1 446 . 1 1 40 40 GLU HB2 H 1 2.07 0.040 . 2 . . . A 345 GLU HB2 . 19363 1 447 . 1 1 40 40 GLU HB3 H 1 2.07 0.040 . 2 . . . A 345 GLU HB3 . 19363 1 448 . 1 1 40 40 GLU HG2 H 1 2.366 0.040 . 2 . . . A 345 GLU HG2 . 19363 1 449 . 1 1 40 40 GLU HG3 H 1 2.366 0.040 . 2 . . . A 345 GLU HG3 . 19363 1 450 . 1 1 40 40 GLU C C 13 178.144 0.400 . 1 . . . A 345 GLU C . 19363 1 451 . 1 1 40 40 GLU CA C 13 59.592 0.400 . 1 . . . A 345 GLU CA . 19363 1 452 . 1 1 40 40 GLU CB C 13 28.923 0.400 . 1 . . . A 345 GLU CB . 19363 1 453 . 1 1 40 40 GLU CG C 13 36.258 0.400 . 1 . . . A 345 GLU CG . 19363 1 454 . 1 1 40 40 GLU N N 15 117.313 0.400 . 1 . . . A 345 GLU N . 19363 1 455 . 1 1 41 41 ALA H H 1 7.854 0.040 . 1 . . . A 346 ALA H . 19363 1 456 . 1 1 41 41 ALA HA H 1 4.152 0.040 . 1 . . . A 346 ALA HA . 19363 1 457 . 1 1 41 41 ALA HB1 H 1 1.521 0.040 . 1 . . . A 346 ALA HB1 . 19363 1 458 . 1 1 41 41 ALA HB2 H 1 1.521 0.040 . 1 . . . A 346 ALA HB2 . 19363 1 459 . 1 1 41 41 ALA HB3 H 1 1.521 0.040 . 1 . . . A 346 ALA HB3 . 19363 1 460 . 1 1 41 41 ALA C C 13 179.384 0.400 . 1 . . . A 346 ALA C . 19363 1 461 . 1 1 41 41 ALA CA C 13 54.977 0.400 . 1 . . . A 346 ALA CA . 19363 1 462 . 1 1 41 41 ALA CB C 13 18.48 0.400 . 1 . . . A 346 ALA CB . 19363 1 463 . 1 1 41 41 ALA N N 15 121.742 0.400 . 1 . . . A 346 ALA N . 19363 1 464 . 1 1 42 42 LEU H H 1 7.731 0.040 . 1 . . . A 347 LEU H . 19363 1 465 . 1 1 42 42 LEU HA H 1 3.829 0.040 . 1 . . . A 347 LEU HA . 19363 1 466 . 1 1 42 42 LEU HB2 H 1 1.494 0.040 . 2 . . . A 347 LEU HB2 . 19363 1 467 . 1 1 42 42 LEU HB3 H 1 2.016 0.040 . 2 . . . A 347 LEU HB3 . 19363 1 468 . 1 1 42 42 LEU HG H 1 1.962 0.040 . 1 . . . A 347 LEU HG . 19363 1 469 . 1 1 42 42 LEU HD11 H 1 0.965 0.040 . 2 . . . A 347 LEU HD11 . 19363 1 470 . 1 1 42 42 LEU HD12 H 1 0.965 0.040 . 2 . . . A 347 LEU HD12 . 19363 1 471 . 1 1 42 42 LEU HD13 H 1 0.965 0.040 . 2 . . . A 347 LEU HD13 . 19363 1 472 . 1 1 42 42 LEU HD21 H 1 0.929 0.040 . 2 . . . A 347 LEU HD21 . 19363 1 473 . 1 1 42 42 LEU HD22 H 1 0.929 0.040 . 2 . . . A 347 LEU HD22 . 19363 1 474 . 1 1 42 42 LEU HD23 H 1 0.929 0.040 . 2 . . . A 347 LEU HD23 . 19363 1 475 . 1 1 42 42 LEU C C 13 178.654 0.400 . 1 . . . A 347 LEU C . 19363 1 476 . 1 1 42 42 LEU CA C 13 58.166 0.400 . 1 . . . A 347 LEU CA . 19363 1 477 . 1 1 42 42 LEU CB C 13 41.714 0.005 . 1 . . . A 347 LEU CB . 19363 1 478 . 1 1 42 42 LEU CG C 13 27.022 0.400 . 1 . . . A 347 LEU CG . 19363 1 479 . 1 1 42 42 LEU CD1 C 13 22.921 0.400 . 2 . . . A 347 LEU CD1 . 19363 1 480 . 1 1 42 42 LEU CD2 C 13 24.986 0.400 . 2 . . . A 347 LEU CD2 . 19363 1 481 . 1 1 42 42 LEU N N 15 118.053 0.400 . 1 . . . A 347 LEU N . 19363 1 482 . 1 1 43 43 GLN H H 1 8.07 0.040 . 1 . . . A 348 GLN H . 19363 1 483 . 1 1 43 43 GLN HA H 1 4.026 0.040 . 1 . . . A 348 GLN HA . 19363 1 484 . 1 1 43 43 GLN HB2 H 1 2.195 0.040 . 2 . . . A 348 GLN HB2 . 19363 1 485 . 1 1 43 43 GLN HB3 H 1 2.195 0.040 . 2 . . . A 348 GLN HB3 . 19363 1 486 . 1 1 43 43 GLN HG2 H 1 2.502 0.040 . 2 . . . A 348 GLN HG2 . 19363 1 487 . 1 1 43 43 GLN HG3 H 1 2.393 0.040 . 2 . . . A 348 GLN HG3 . 19363 1 488 . 1 1 43 43 GLN C C 13 178.586 0.400 . 1 . . . A 348 GLN C . 19363 1 489 . 1 1 43 43 GLN CA C 13 59.631 0.400 . 1 . . . A 348 GLN CA . 19363 1 490 . 1 1 43 43 GLN CB C 13 28.347 0.400 . 1 . . . A 348 GLN CB . 19363 1 491 . 1 1 43 43 GLN CG C 13 33.82 0.023 . 1 . . . A 348 GLN CG . 19363 1 492 . 1 1 43 43 GLN N N 15 118.359 0.400 . 1 . . . A 348 GLN N . 19363 1 493 . 1 1 44 44 LYS H H 1 7.892 0.040 . 1 . . . A 349 LYS H . 19363 1 494 . 1 1 44 44 LYS HA H 1 4.13 0.040 . 1 . . . A 349 LYS HA . 19363 1 495 . 1 1 44 44 LYS HB2 H 1 2.003 0.040 . 2 . . . A 349 LYS HB2 . 19363 1 496 . 1 1 44 44 LYS HB3 H 1 2.003 0.040 . 2 . . . A 349 LYS HB3 . 19363 1 497 . 1 1 44 44 LYS HG2 H 1 1.579 0.040 . 2 . . . A 349 LYS HG2 . 19363 1 498 . 1 1 44 44 LYS HG3 H 1 1.579 0.040 . 2 . . . A 349 LYS HG3 . 19363 1 499 . 1 1 44 44 LYS HD2 H 1 1.712 0.040 . 2 . . . A 349 LYS HD2 . 19363 1 500 . 1 1 44 44 LYS HD3 H 1 1.712 0.040 . 2 . . . A 349 LYS HD3 . 19363 1 501 . 1 1 44 44 LYS HE2 H 1 2.956 0.040 . 2 . . . A 349 LYS HE2 . 19363 1 502 . 1 1 44 44 LYS HE3 H 1 2.956 0.040 . 2 . . . A 349 LYS HE3 . 19363 1 503 . 1 1 44 44 LYS C C 13 178.331 0.400 . 1 . . . A 349 LYS C . 19363 1 504 . 1 1 44 44 LYS CA C 13 59.113 0.400 . 1 . . . A 349 LYS CA . 19363 1 505 . 1 1 44 44 LYS CB C 13 31.832 0.400 . 1 . . . A 349 LYS CB . 19363 1 506 . 1 1 44 44 LYS CG C 13 24.944 0.400 . 1 . . . A 349 LYS CG . 19363 1 507 . 1 1 44 44 LYS CD C 13 28.398 0.400 . 1 . . . A 349 LYS CD . 19363 1 508 . 1 1 44 44 LYS CE C 13 42.077 0.400 . 1 . . . A 349 LYS CE . 19363 1 509 . 1 1 44 44 LYS N N 15 118.713 0.400 . 1 . . . A 349 LYS N . 19363 1 510 . 1 1 45 45 TRP H H 1 8.231 0.040 . 1 . . . A 350 TRP H . 19363 1 511 . 1 1 45 45 TRP HA H 1 4.265 0.040 . 1 . . . A 350 TRP HA . 19363 1 512 . 1 1 45 45 TRP HB2 H 1 3.542 0.040 . 2 . . . A 350 TRP HB2 . 19363 1 513 . 1 1 45 45 TRP HB3 H 1 3.321 0.040 . 2 . . . A 350 TRP HB3 . 19363 1 514 . 1 1 45 45 TRP HD1 H 1 6.983 0.040 . 1 . . . A 350 TRP HD1 . 19363 1 515 . 1 1 45 45 TRP HE1 H 1 9.741 0.040 . 1 . . . A 350 TRP HE1 . 19363 1 516 . 1 1 45 45 TRP HE3 H 1 7.48 0.040 . 1 . . . A 350 TRP HE3 . 19363 1 517 . 1 1 45 45 TRP HZ2 H 1 7.322 0.040 . 1 . . . A 350 TRP HZ2 . 19363 1 518 . 1 1 45 45 TRP HZ3 H 1 7.102 0.040 . 1 . . . A 350 TRP HZ3 . 19363 1 519 . 1 1 45 45 TRP C C 13 179.095 0.400 . 1 . . . A 350 TRP C . 19363 1 520 . 1 1 45 45 TRP CA C 13 61.446 0.400 . 1 . . . A 350 TRP CA . 19363 1 521 . 1 1 45 45 TRP CB C 13 29.068 0.400 . 1 . . . A 350 TRP CB . 19363 1 522 . 1 1 45 45 TRP CD1 C 13 125.545 0.400 . 1 . . . A 350 TRP CD1 . 19363 1 523 . 1 1 45 45 TRP CE3 C 13 120.369 0.400 . 1 . . . A 350 TRP CE3 . 19363 1 524 . 1 1 45 45 TRP CZ2 C 13 113.994 0.400 . 1 . . . A 350 TRP CZ2 . 19363 1 525 . 1 1 45 45 TRP CZ3 C 13 123.554 0.400 . 1 . . . A 350 TRP CZ3 . 19363 1 526 . 1 1 45 45 TRP N N 15 120.914 0.400 . 1 . . . A 350 TRP N . 19363 1 527 . 1 1 45 45 TRP NE1 N 15 126.903 0.400 . 1 . . . A 350 TRP NE1 . 19363 1 528 . 1 1 46 46 LEU H H 1 8.763 0.040 . 1 . . . A 351 LEU H . 19363 1 529 . 1 1 46 46 LEU HA H 1 4.191 0.040 . 1 . . . A 351 LEU HA . 19363 1 530 . 1 1 46 46 LEU HB2 H 1 1.84 0.040 . 2 . . . A 351 LEU HB2 . 19363 1 531 . 1 1 46 46 LEU HB3 H 1 1.686 0.040 . 2 . . . A 351 LEU HB3 . 19363 1 532 . 1 1 46 46 LEU HD11 H 1 0.938 0.040 . 2 . . . A 351 LEU HD11 . 19363 1 533 . 1 1 46 46 LEU HD12 H 1 0.938 0.040 . 2 . . . A 351 LEU HD12 . 19363 1 534 . 1 1 46 46 LEU HD13 H 1 0.938 0.040 . 2 . . . A 351 LEU HD13 . 19363 1 535 . 1 1 46 46 LEU HD21 H 1 0.863 0.040 . 2 . . . A 351 LEU HD21 . 19363 1 536 . 1 1 46 46 LEU HD22 H 1 0.863 0.040 . 2 . . . A 351 LEU HD22 . 19363 1 537 . 1 1 46 46 LEU HD23 H 1 0.863 0.040 . 2 . . . A 351 LEU HD23 . 19363 1 538 . 1 1 46 46 LEU C C 13 178.484 0.400 . 1 . . . A 351 LEU C . 19363 1 539 . 1 1 46 46 LEU CA C 13 57.888 0.400 . 1 . . . A 351 LEU CA . 19363 1 540 . 1 1 46 46 LEU CB C 13 41.629 0.400 . 1 . . . A 351 LEU CB . 19363 1 541 . 1 1 46 46 LEU CD1 C 13 23.721 0.400 . 2 . . . A 351 LEU CD1 . 19363 1 542 . 1 1 46 46 LEU CD2 C 13 23.951 0.400 . 2 . . . A 351 LEU CD2 . 19363 1 543 . 1 1 46 46 LEU N N 15 120.893 0.400 . 1 . . . A 351 LEU N . 19363 1 544 . 1 1 47 47 GLN H H 1 8.027 0.040 . 1 . . . A 352 GLN H . 19363 1 545 . 1 1 47 47 GLN HA H 1 4.035 0.040 . 1 . . . A 352 GLN HA . 19363 1 546 . 1 1 47 47 GLN HB2 H 1 2.321 0.040 . 2 . . . A 352 GLN HB2 . 19363 1 547 . 1 1 47 47 GLN HB3 H 1 2.217 0.040 . 2 . . . A 352 GLN HB3 . 19363 1 548 . 1 1 47 47 GLN HG2 H 1 2.595 0.040 . 2 . . . A 352 GLN HG2 . 19363 1 549 . 1 1 47 47 GLN HG3 H 1 2.595 0.040 . 2 . . . A 352 GLN HG3 . 19363 1 550 . 1 1 47 47 GLN C C 13 178.603 0.400 . 1 . . . A 352 GLN C . 19363 1 551 . 1 1 47 47 GLN CA C 13 59.397 0.400 . 1 . . . A 352 GLN CA . 19363 1 552 . 1 1 47 47 GLN CB C 13 28.288 0.400 . 1 . . . A 352 GLN CB . 19363 1 553 . 1 1 47 47 GLN CG C 13 33.781 0.400 . 1 . . . A 352 GLN CG . 19363 1 554 . 1 1 47 47 GLN N N 15 116.806 0.400 . 1 . . . A 352 GLN N . 19363 1 555 . 1 1 48 48 LEU H H 1 8.329 0.040 . 1 . . . A 353 LEU H . 19363 1 556 . 1 1 48 48 LEU HA H 1 4.118 0.040 . 1 . . . A 353 LEU HA . 19363 1 557 . 1 1 48 48 LEU HB2 H 1 1.649 0.040 . 2 . . . A 353 LEU HB2 . 19363 1 558 . 1 1 48 48 LEU HB3 H 1 1.758 0.040 . 2 . . . A 353 LEU HB3 . 19363 1 559 . 1 1 48 48 LEU HD11 H 1 0.863 0.040 . 2 . . . A 353 LEU HD11 . 19363 1 560 . 1 1 48 48 LEU HD12 H 1 0.863 0.040 . 2 . . . A 353 LEU HD12 . 19363 1 561 . 1 1 48 48 LEU HD13 H 1 0.863 0.040 . 2 . . . A 353 LEU HD13 . 19363 1 562 . 1 1 48 48 LEU HD21 H 1 0.833 0.040 . 2 . . . A 353 LEU HD21 . 19363 1 563 . 1 1 48 48 LEU HD22 H 1 0.833 0.040 . 2 . . . A 353 LEU HD22 . 19363 1 564 . 1 1 48 48 LEU HD23 H 1 0.833 0.040 . 2 . . . A 353 LEU HD23 . 19363 1 565 . 1 1 48 48 LEU C C 13 178.654 0.400 . 1 . . . A 353 LEU C . 19363 1 566 . 1 1 48 48 LEU CA C 13 58.294 0.400 . 1 . . . A 353 LEU CA . 19363 1 567 . 1 1 48 48 LEU CB C 13 42.009 0.001 . 1 . . . A 353 LEU CB . 19363 1 568 . 1 1 48 48 LEU CD1 C 13 23.787 0.400 . 2 . . . A 353 LEU CD1 . 19363 1 569 . 1 1 48 48 LEU CD2 C 13 24.063 0.400 . 2 . . . A 353 LEU CD2 . 19363 1 570 . 1 1 48 48 LEU N N 15 120.958 0.400 . 1 . . . A 353 LEU N . 19363 1 571 . 1 1 49 49 THR H H 1 8.176 0.040 . 1 . . . A 354 THR H . 19363 1 572 . 1 1 49 49 THR HA H 1 3.629 0.040 . 1 . . . A 354 THR HA . 19363 1 573 . 1 1 49 49 THR HB H 1 3.867 0.040 . 1 . . . A 354 THR HB . 19363 1 574 . 1 1 49 49 THR HG21 H 1 0.702 0.040 . 1 . . . A 354 THR HG21 . 19363 1 575 . 1 1 49 49 THR HG22 H 1 0.702 0.040 . 1 . . . A 354 THR HG22 . 19363 1 576 . 1 1 49 49 THR HG23 H 1 0.702 0.040 . 1 . . . A 354 THR HG23 . 19363 1 577 . 1 1 49 49 THR C C 13 176.038 0.400 . 1 . . . A 354 THR C . 19363 1 578 . 1 1 49 49 THR CA C 13 66.424 0.400 . 1 . . . A 354 THR CA . 19363 1 579 . 1 1 49 49 THR CB C 13 68.479 0.400 . 1 . . . A 354 THR CB . 19363 1 580 . 1 1 49 49 THR CG2 C 13 21.086 0.400 . 1 . . . A 354 THR CG2 . 19363 1 581 . 1 1 49 49 THR N N 15 111.769 0.400 . 1 . . . A 354 THR N . 19363 1 582 . 1 1 50 50 HIS H H 1 8.091 0.040 . 1 . . . A 355 HIS H . 19363 1 583 . 1 1 50 50 HIS HA H 1 4.431 0.040 . 1 . . . A 355 HIS HA . 19363 1 584 . 1 1 50 50 HIS HB2 H 1 3.403 0.040 . 2 . . . A 355 HIS HB2 . 19363 1 585 . 1 1 50 50 HIS HB3 H 1 3.343 0.040 . 2 . . . A 355 HIS HB3 . 19363 1 586 . 1 1 50 50 HIS HD2 H 1 7.3 0.040 . 1 . . . A 355 HIS HD2 . 19363 1 587 . 1 1 50 50 HIS C C 13 178.586 0.400 . 1 . . . A 355 HIS C . 19363 1 588 . 1 1 50 50 HIS CA C 13 59.087 0.400 . 1 . . . A 355 HIS CA . 19363 1 589 . 1 1 50 50 HIS CB C 13 27.969 0.003 . 1 . . . A 355 HIS CB . 19363 1 590 . 1 1 50 50 HIS CD2 C 13 120.235 0.400 . 1 . . . A 355 HIS CD2 . 19363 1 591 . 1 1 50 50 HIS N N 15 118.801 0.400 . 1 . . . A 355 HIS N . 19363 1 592 . 1 1 51 51 GLU H H 1 8.05 0.040 . 1 . . . A 356 GLU H . 19363 1 593 . 1 1 51 51 GLU HA H 1 3.984 0.040 . 1 . . . A 356 GLU HA . 19363 1 594 . 1 1 51 51 GLU HB3 H 1 2.169 0.040 . 2 . . . A 356 GLU HB3 . 19363 1 595 . 1 1 51 51 GLU HG2 H 1 2.433 0.040 . 2 . . . A 356 GLU HG2 . 19363 1 596 . 1 1 51 51 GLU HG3 H 1 2.281 0.040 . 2 . . . A 356 GLU HG3 . 19363 1 597 . 1 1 51 51 GLU C C 13 179.129 0.400 . 1 . . . A 356 GLU C . 19363 1 598 . 1 1 51 51 GLU CA C 13 59.448 0.400 . 1 . . . A 356 GLU CA . 19363 1 599 . 1 1 51 51 GLU CB C 13 28.901 0.400 . 1 . . . A 356 GLU CB . 19363 1 600 . 1 1 51 51 GLU CG C 13 36.232 0.400 . 1 . . . A 356 GLU CG . 19363 1 601 . 1 1 51 51 GLU N N 15 119.019 0.400 . 1 . . . A 356 GLU N . 19363 1 602 . 1 1 52 52 VAL H H 1 8.196 0.040 . 1 . . . A 357 VAL H . 19363 1 603 . 1 1 52 52 VAL HA H 1 3.591 0.040 . 1 . . . A 357 VAL HA . 19363 1 604 . 1 1 52 52 VAL HB H 1 2.119 0.040 . 1 . . . A 357 VAL HB . 19363 1 605 . 1 1 52 52 VAL HG11 H 1 0.99 0.040 . 2 . . . A 357 VAL HG11 . 19363 1 606 . 1 1 52 52 VAL HG12 H 1 0.99 0.040 . 2 . . . A 357 VAL HG12 . 19363 1 607 . 1 1 52 52 VAL HG13 H 1 0.99 0.040 . 2 . . . A 357 VAL HG13 . 19363 1 608 . 1 1 52 52 VAL HG21 H 1 0.876 0.040 . 2 . . . A 357 VAL HG21 . 19363 1 609 . 1 1 52 52 VAL HG22 H 1 0.876 0.040 . 2 . . . A 357 VAL HG22 . 19363 1 610 . 1 1 52 52 VAL HG23 H 1 0.876 0.040 . 2 . . . A 357 VAL HG23 . 19363 1 611 . 1 1 52 52 VAL C C 13 177.516 0.400 . 1 . . . A 357 VAL C . 19363 1 612 . 1 1 52 52 VAL CA C 13 66.685 0.400 . 1 . . . A 357 VAL CA . 19363 1 613 . 1 1 52 52 VAL CB C 13 31.526 0.400 . 1 . . . A 357 VAL CB . 19363 1 614 . 1 1 52 52 VAL CG1 C 13 22.701 0.400 . 2 . . . A 357 VAL CG1 . 19363 1 615 . 1 1 52 52 VAL CG2 C 13 21.1 0.400 . 2 . . . A 357 VAL CG2 . 19363 1 616 . 1 1 52 52 VAL N N 15 119.455 0.400 . 1 . . . A 357 VAL N . 19363 1 617 . 1 1 53 53 GLU H H 1 8.002 0.040 . 1 . . . A 358 GLU H . 19363 1 618 . 1 1 53 53 GLU HA H 1 4.106 0.040 . 1 . . . A 358 GLU HA . 19363 1 619 . 1 1 53 53 GLU HB2 H 1 2.179 0.040 . 2 . . . A 358 GLU HB2 . 19363 1 620 . 1 1 53 53 GLU HB3 H 1 2.179 0.040 . 2 . . . A 358 GLU HB3 . 19363 1 621 . 1 1 53 53 GLU HG2 H 1 2.449 0.040 . 2 . . . A 358 GLU HG2 . 19363 1 622 . 1 1 53 53 GLU HG3 H 1 2.288 0.040 . 2 . . . A 358 GLU HG3 . 19363 1 623 . 1 1 53 53 GLU C C 13 178.263 0.400 . 1 . . . A 358 GLU C . 19363 1 624 . 1 1 53 53 GLU CA C 13 59.453 0.400 . 1 . . . A 358 GLU CA . 19363 1 625 . 1 1 53 53 GLU CB C 13 29.347 0.400 . 1 . . . A 358 GLU CB . 19363 1 626 . 1 1 53 53 GLU CG C 13 36.151 0.003 . 1 . . . A 358 GLU CG . 19363 1 627 . 1 1 53 53 GLU N N 15 119.514 0.400 . 1 . . . A 358 GLU N . 19363 1 628 . 1 1 54 54 VAL H H 1 8.071 0.040 . 1 . . . A 359 VAL H . 19363 1 629 . 1 1 54 54 VAL HA H 1 3.694 0.040 . 1 . . . A 359 VAL HA . 19363 1 630 . 1 1 54 54 VAL HB H 1 2.111 0.040 . 1 . . . A 359 VAL HB . 19363 1 631 . 1 1 54 54 VAL HG11 H 1 0.839 0.040 . 2 . . . A 359 VAL HG11 . 19363 1 632 . 1 1 54 54 VAL HG12 H 1 0.839 0.040 . 2 . . . A 359 VAL HG12 . 19363 1 633 . 1 1 54 54 VAL HG13 H 1 0.839 0.040 . 2 . . . A 359 VAL HG13 . 19363 1 634 . 1 1 54 54 VAL HG21 H 1 0.947 0.040 . 2 . . . A 359 VAL HG21 . 19363 1 635 . 1 1 54 54 VAL HG22 H 1 0.947 0.040 . 2 . . . A 359 VAL HG22 . 19363 1 636 . 1 1 54 54 VAL HG23 H 1 0.947 0.040 . 2 . . . A 359 VAL HG23 . 19363 1 637 . 1 1 54 54 VAL C C 13 177.04 0.400 . 1 . . . A 359 VAL C . 19363 1 638 . 1 1 54 54 VAL CA C 13 66.626 0.400 . 1 . . . A 359 VAL CA . 19363 1 639 . 1 1 54 54 VAL CB C 13 31.684 0.400 . 1 . . . A 359 VAL CB . 19363 1 640 . 1 1 54 54 VAL CG1 C 13 22.297 0.400 . 2 . . . A 359 VAL CG1 . 19363 1 641 . 1 1 54 54 VAL CG2 C 13 21.1 0.400 . 2 . . . A 359 VAL CG2 . 19363 1 642 . 1 1 54 54 VAL N N 15 118.478 0.400 . 1 . . . A 359 VAL N . 19363 1 643 . 1 1 55 55 GLN H H 1 8.042 0.040 . 1 . . . A 360 GLN H . 19363 1 644 . 1 1 55 55 GLN HA H 1 4.205 0.040 . 1 . . . A 360 GLN HA . 19363 1 645 . 1 1 55 55 GLN HB2 H 1 2.209 0.040 . 2 . . . A 360 GLN HB2 . 19363 1 646 . 1 1 55 55 GLN HB3 H 1 2.209 0.040 . 2 . . . A 360 GLN HB3 . 19363 1 647 . 1 1 55 55 GLN HG2 H 1 2.504 0.040 . 2 . . . A 360 GLN HG2 . 19363 1 648 . 1 1 55 55 GLN HG3 H 1 2.504 0.040 . 2 . . . A 360 GLN HG3 . 19363 1 649 . 1 1 55 55 GLN C C 13 178.331 0.400 . 1 . . . A 360 GLN C . 19363 1 650 . 1 1 55 55 GLN CA C 13 58.545 0.400 . 1 . . . A 360 GLN CA . 19363 1 651 . 1 1 55 55 GLN CB C 13 28.031 0.400 . 1 . . . A 360 GLN CB . 19363 1 652 . 1 1 55 55 GLN CG C 13 33.43 0.400 . 1 . . . A 360 GLN CG . 19363 1 653 . 1 1 55 55 GLN N N 15 119.545 0.400 . 1 . . . A 360 GLN N . 19363 1 654 . 1 1 56 56 TYR H H 1 8.71 0.040 . 1 . . . A 361 TYR H . 19363 1 655 . 1 1 56 56 TYR HA H 1 4.145 0.040 . 1 . . . A 361 TYR HA . 19363 1 656 . 1 1 56 56 TYR HB2 H 1 3.167 0.040 . 2 . . . A 361 TYR HB2 . 19363 1 657 . 1 1 56 56 TYR HB3 H 1 3.048 0.040 . 2 . . . A 361 TYR HB3 . 19363 1 658 . 1 1 56 56 TYR HD1 H 1 6.887 0.040 . 3 . . . A 361 TYR HD1 . 19363 1 659 . 1 1 56 56 TYR HE2 H 1 6.701 0.040 . 3 . . . A 361 TYR HE2 . 19363 1 660 . 1 1 56 56 TYR C C 13 177.176 0.400 . 1 . . . A 361 TYR C . 19363 1 661 . 1 1 56 56 TYR CA C 13 61.552 0.400 . 1 . . . A 361 TYR CA . 19363 1 662 . 1 1 56 56 TYR CB C 13 38.384 0.006 . 1 . . . A 361 TYR CB . 19363 1 663 . 1 1 56 56 TYR CD1 C 13 132.582 0.400 . 3 . . . A 361 TYR CD1 . 19363 1 664 . 1 1 56 56 TYR CE2 C 13 118.111 0.400 . 3 . . . A 361 TYR CE2 . 19363 1 665 . 1 1 56 56 TYR N N 15 120.168 0.400 . 1 . . . A 361 TYR N . 19363 1 666 . 1 1 57 57 TYR H H 1 8.433 0.040 . 1 . . . A 362 TYR H . 19363 1 667 . 1 1 57 57 TYR HA H 1 4.028 0.040 . 1 . . . A 362 TYR HA . 19363 1 668 . 1 1 57 57 TYR HB2 H 1 3.174 0.040 . 2 . . . A 362 TYR HB2 . 19363 1 669 . 1 1 57 57 TYR HB3 H 1 3.2 0.040 . 2 . . . A 362 TYR HB3 . 19363 1 670 . 1 1 57 57 TYR HD1 H 1 7.222 0.040 . 3 . . . A 362 TYR HD1 . 19363 1 671 . 1 1 57 57 TYR HE2 H 1 6.877 0.040 . 3 . . . A 362 TYR HE2 . 19363 1 672 . 1 1 57 57 TYR C C 13 177.686 0.400 . 1 . . . A 362 TYR C . 19363 1 673 . 1 1 57 57 TYR CA C 13 61.787 0.400 . 1 . . . A 362 TYR CA . 19363 1 674 . 1 1 57 57 TYR CB C 13 37.755 0.012 . 1 . . . A 362 TYR CB . 19363 1 675 . 1 1 57 57 TYR CD1 C 13 133.244 0.400 . 3 . . . A 362 TYR CD1 . 19363 1 676 . 1 1 57 57 TYR CE2 C 13 117.183 0.400 . 3 . . . A 362 TYR CE2 . 19363 1 677 . 1 1 57 57 TYR N N 15 118.639 0.400 . 1 . . . A 362 TYR N . 19363 1 678 . 1 1 58 58 ASN H H 1 8.311 0.040 . 1 . . . A 363 ASN H . 19363 1 679 . 1 1 58 58 ASN HA H 1 4.398 0.040 . 1 . . . A 363 ASN HA . 19363 1 680 . 1 1 58 58 ASN HB2 H 1 3.016 0.040 . 2 . . . A 363 ASN HB2 . 19363 1 681 . 1 1 58 58 ASN HB3 H 1 2.788 0.040 . 2 . . . A 363 ASN HB3 . 19363 1 682 . 1 1 58 58 ASN C C 13 177.94 0.400 . 1 . . . A 363 ASN C . 19363 1 683 . 1 1 58 58 ASN CA C 13 56.601 0.400 . 1 . . . A 363 ASN CA . 19363 1 684 . 1 1 58 58 ASN CB C 13 38.384 0.006 . 1 . . . A 363 ASN CB . 19363 1 685 . 1 1 58 58 ASN N N 15 117.878 0.400 . 1 . . . A 363 ASN N . 19363 1 686 . 1 1 59 59 ILE H H 1 8.189 0.040 . 1 . . . A 364 ILE H . 19363 1 687 . 1 1 59 59 ILE HA H 1 3.774 0.040 . 1 . . . A 364 ILE HA . 19363 1 688 . 1 1 59 59 ILE HB H 1 1.935 0.040 . 1 . . . A 364 ILE HB . 19363 1 689 . 1 1 59 59 ILE HG12 H 1 1.195 0.040 . 2 . . . A 364 ILE HG12 . 19363 1 690 . 1 1 59 59 ILE HG13 H 1 1.182 0.040 . 2 . . . A 364 ILE HG13 . 19363 1 691 . 1 1 59 59 ILE HG21 H 1 0.895 0.040 . 1 . . . A 364 ILE HG21 . 19363 1 692 . 1 1 59 59 ILE HG22 H 1 0.895 0.040 . 1 . . . A 364 ILE HG22 . 19363 1 693 . 1 1 59 59 ILE HG23 H 1 0.895 0.040 . 1 . . . A 364 ILE HG23 . 19363 1 694 . 1 1 59 59 ILE HD11 H 1 0.856 0.040 . 1 . . . A 364 ILE HD11 . 19363 1 695 . 1 1 59 59 ILE HD12 H 1 0.856 0.040 . 1 . . . A 364 ILE HD12 . 19363 1 696 . 1 1 59 59 ILE HD13 H 1 0.856 0.040 . 1 . . . A 364 ILE HD13 . 19363 1 697 . 1 1 59 59 ILE C C 13 178.212 0.400 . 1 . . . A 364 ILE C . 19363 1 698 . 1 1 59 59 ILE CA C 13 64.769 0.400 . 1 . . . A 364 ILE CA . 19363 1 699 . 1 1 59 59 ILE CB C 13 37.884 0.400 . 1 . . . A 364 ILE CB . 19363 1 700 . 1 1 59 59 ILE CG1 C 13 29.014 0.001 . 1 . . . A 364 ILE CG1 . 19363 1 701 . 1 1 59 59 ILE CG2 C 13 17.18 0.400 . 1 . . . A 364 ILE CG2 . 19363 1 702 . 1 1 59 59 ILE CD1 C 13 13.074 0.400 . 1 . . . A 364 ILE CD1 . 19363 1 703 . 1 1 59 59 ILE N N 15 121.461 0.400 . 1 . . . A 364 ILE N . 19363 1 704 . 1 1 60 60 LYS H H 1 8.1 0.040 . 1 . . . A 365 LYS H . 19363 1 705 . 1 1 60 60 LYS HA H 1 3.913 0.040 . 1 . . . A 365 LYS HA . 19363 1 706 . 1 1 60 60 LYS HB2 H 1 2.002 0.040 . 2 . . . A 365 LYS HB2 . 19363 1 707 . 1 1 60 60 LYS HB3 H 1 2.002 0.040 . 2 . . . A 365 LYS HB3 . 19363 1 708 . 1 1 60 60 LYS HG2 H 1 1.255 0.040 . 2 . . . A 365 LYS HG2 . 19363 1 709 . 1 1 60 60 LYS HG3 H 1 1.203 0.040 . 2 . . . A 365 LYS HG3 . 19363 1 710 . 1 1 60 60 LYS HD2 H 1 1.52 0.040 . 2 . . . A 365 LYS HD2 . 19363 1 711 . 1 1 60 60 LYS HD3 H 1 1.52 0.040 . 2 . . . A 365 LYS HD3 . 19363 1 712 . 1 1 60 60 LYS HE2 H 1 2.98 0.040 . 2 . . . A 365 LYS HE2 . 19363 1 713 . 1 1 60 60 LYS HE3 H 1 2.799 0.040 . 2 . . . A 365 LYS HE3 . 19363 1 714 . 1 1 60 60 LYS C C 13 179.401 0.400 . 1 . . . A 365 LYS C . 19363 1 715 . 1 1 60 60 LYS CA C 13 59.156 0.400 . 1 . . . A 365 LYS CA . 19363 1 716 . 1 1 60 60 LYS CB C 13 31.694 0.400 . 1 . . . A 365 LYS CB . 19363 1 717 . 1 1 60 60 LYS CG C 13 24.464 0.400 . 1 . . . A 365 LYS CG . 19363 1 718 . 1 1 60 60 LYS CD C 13 28.658 0.400 . 1 . . . A 365 LYS CD . 19363 1 719 . 1 1 60 60 LYS CE C 13 41.956 0.002 . 1 . . . A 365 LYS CE . 19363 1 720 . 1 1 60 60 LYS N N 15 120.817 0.400 . 1 . . . A 365 LYS N . 19363 1 721 . 1 1 61 61 LYS H H 1 8.317 0.040 . 1 . . . A 366 LYS H . 19363 1 722 . 1 1 61 61 LYS HA H 1 3.956 0.040 . 1 . . . A 366 LYS HA . 19363 1 723 . 1 1 61 61 LYS HB2 H 1 1.836 0.040 . 2 . . . A 366 LYS HB2 . 19363 1 724 . 1 1 61 61 LYS HB3 H 1 1.718 0.040 . 2 . . . A 366 LYS HB3 . 19363 1 725 . 1 1 61 61 LYS HG2 H 1 1.395 0.040 . 2 . . . A 366 LYS HG2 . 19363 1 726 . 1 1 61 61 LYS HG3 H 1 1.332 0.040 . 2 . . . A 366 LYS HG3 . 19363 1 727 . 1 1 61 61 LYS HD2 H 1 1.662 0.040 . 2 . . . A 366 LYS HD2 . 19363 1 728 . 1 1 61 61 LYS HD3 H 1 1.641 0.040 . 2 . . . A 366 LYS HD3 . 19363 1 729 . 1 1 61 61 LYS HE2 H 1 2.906 0.040 . 2 . . . A 366 LYS HE2 . 19363 1 730 . 1 1 61 61 LYS HE3 H 1 2.906 0.040 . 2 . . . A 366 LYS HE3 . 19363 1 731 . 1 1 61 61 LYS CA C 13 59.319 0.400 . 1 . . . A 366 LYS CA . 19363 1 732 . 1 1 61 61 LYS CB C 13 32.315 0.400 . 1 . . . A 366 LYS CB . 19363 1 733 . 1 1 61 61 LYS CG C 13 24.64 0.400 . 1 . . . A 366 LYS CG . 19363 1 734 . 1 1 61 61 LYS CD C 13 29.424 0.400 . 1 . . . A 366 LYS CD . 19363 1 735 . 1 1 61 61 LYS CE C 13 41.979 0.400 . 1 . . . A 366 LYS CE . 19363 1 736 . 1 1 61 61 LYS N N 15 120.285 0.400 . 1 . . . A 366 LYS N . 19363 1 737 . 1 1 62 62 GLN HA H 1 4.13 0.040 . 1 . . . A 367 GLN HA . 19363 1 738 . 1 1 62 62 GLN HB2 H 1 2.19 0.040 . 2 . . . A 367 GLN HB2 . 19363 1 739 . 1 1 62 62 GLN HB3 H 1 2.19 0.040 . 2 . . . A 367 GLN HB3 . 19363 1 740 . 1 1 62 62 GLN HG2 H 1 2.583 0.040 . 2 . . . A 367 GLN HG2 . 19363 1 741 . 1 1 62 62 GLN HG3 H 1 2.416 0.040 . 2 . . . A 367 GLN HG3 . 19363 1 742 . 1 1 62 62 GLN C C 13 178.586 0.400 . 1 . . . A 367 GLN C . 19363 1 743 . 1 1 62 62 GLN CA C 13 58.629 0.400 . 1 . . . A 367 GLN CA . 19363 1 744 . 1 1 62 62 GLN CB C 13 28.663 0.400 . 1 . . . A 367 GLN CB . 19363 1 745 . 1 1 62 62 GLN CG C 13 34.249 0.008 . 1 . . . A 367 GLN CG . 19363 1 746 . 1 1 63 63 ASN H H 1 8.286 0.040 . 1 . . . A 368 ASN H . 19363 1 747 . 1 1 63 63 ASN HA H 1 4.523 0.040 . 1 . . . A 368 ASN HA . 19363 1 748 . 1 1 63 63 ASN HB2 H 1 2.934 0.040 . 2 . . . A 368 ASN HB2 . 19363 1 749 . 1 1 63 63 ASN HB3 H 1 2.81 0.040 . 2 . . . A 368 ASN HB3 . 19363 1 750 . 1 1 63 63 ASN C C 13 177.125 0.400 . 1 . . . A 368 ASN C . 19363 1 751 . 1 1 63 63 ASN CA C 13 55.845 0.400 . 1 . . . A 368 ASN CA . 19363 1 752 . 1 1 63 63 ASN CB C 13 38.525 0.018 . 1 . . . A 368 ASN CB . 19363 1 753 . 1 1 63 63 ASN N N 15 117.903 0.400 . 1 . . . A 368 ASN N . 19363 1 754 . 1 1 64 64 ALA H H 1 8.127 0.040 . 1 . . . A 369 ALA H . 19363 1 755 . 1 1 64 64 ALA HA H 1 4.174 0.040 . 1 . . . A 369 ALA HA . 19363 1 756 . 1 1 64 64 ALA HB1 H 1 1.54 0.040 . 1 . . . A 369 ALA HB1 . 19363 1 757 . 1 1 64 64 ALA HB2 H 1 1.54 0.040 . 1 . . . A 369 ALA HB2 . 19363 1 758 . 1 1 64 64 ALA HB3 H 1 1.54 0.040 . 1 . . . A 369 ALA HB3 . 19363 1 759 . 1 1 64 64 ALA C C 13 179.69 0.400 . 1 . . . A 369 ALA C . 19363 1 760 . 1 1 64 64 ALA CA C 13 55.001 0.400 . 1 . . . A 369 ALA CA . 19363 1 761 . 1 1 64 64 ALA CB C 13 18.062 0.400 . 1 . . . A 369 ALA CB . 19363 1 762 . 1 1 64 64 ALA N N 15 123.422 0.400 . 1 . . . A 369 ALA N . 19363 1 763 . 1 1 65 65 GLU H H 1 8.267 0.040 . 1 . . . A 370 GLU H . 19363 1 764 . 1 1 65 65 GLU HA H 1 4.035 0.040 . 1 . . . A 370 GLU HA . 19363 1 765 . 1 1 65 65 GLU HB2 H 1 2.176 0.040 . 2 . . . A 370 GLU HB2 . 19363 1 766 . 1 1 65 65 GLU HB3 H 1 2.126 0.040 . 2 . . . A 370 GLU HB3 . 19363 1 767 . 1 1 65 65 GLU HG2 H 1 2.509 0.040 . 2 . . . A 370 GLU HG2 . 19363 1 768 . 1 1 65 65 GLU HG3 H 1 2.271 0.040 . 2 . . . A 370 GLU HG3 . 19363 1 769 . 1 1 65 65 GLU C C 13 178.535 0.400 . 1 . . . A 370 GLU C . 19363 1 770 . 1 1 65 65 GLU CA C 13 59.314 0.400 . 1 . . . A 370 GLU CA . 19363 1 771 . 1 1 65 65 GLU CB C 13 29.254 0.400 . 1 . . . A 370 GLU CB . 19363 1 772 . 1 1 65 65 GLU CG C 13 36.364 0.005 . 1 . . . A 370 GLU CG . 19363 1 773 . 1 1 65 65 GLU N N 15 117.752 0.400 . 1 . . . A 370 GLU N . 19363 1 774 . 1 1 66 66 LYS H H 1 7.961 0.040 . 1 . . . A 371 LYS H . 19363 1 775 . 1 1 66 66 LYS HA H 1 4.094 0.040 . 1 . . . A 371 LYS HA . 19363 1 776 . 1 1 66 66 LYS HB2 H 1 1.983 0.040 . 2 . . . A 371 LYS HB2 . 19363 1 777 . 1 1 66 66 LYS HB3 H 1 1.983 0.040 . 2 . . . A 371 LYS HB3 . 19363 1 778 . 1 1 66 66 LYS HG2 H 1 1.612 0.040 . 2 . . . A 371 LYS HG2 . 19363 1 779 . 1 1 66 66 LYS HG3 H 1 1.494 0.040 . 2 . . . A 371 LYS HG3 . 19363 1 780 . 1 1 66 66 LYS HD2 H 1 1.735 0.040 . 2 . . . A 371 LYS HD2 . 19363 1 781 . 1 1 66 66 LYS HD3 H 1 1.654 0.040 . 2 . . . A 371 LYS HD3 . 19363 1 782 . 1 1 66 66 LYS HE2 H 1 2.979 0.040 . 2 . . . A 371 LYS HE2 . 19363 1 783 . 1 1 66 66 LYS HE3 H 1 2.979 0.040 . 2 . . . A 371 LYS HE3 . 19363 1 784 . 1 1 66 66 LYS C C 13 178.246 0.400 . 1 . . . A 371 LYS C . 19363 1 785 . 1 1 66 66 LYS CA C 13 59.319 0.400 . 1 . . . A 371 LYS CA . 19363 1 786 . 1 1 66 66 LYS CB C 13 32.321 0.400 . 1 . . . A 371 LYS CB . 19363 1 787 . 1 1 66 66 LYS CG C 13 25.097 0.008 . 1 . . . A 371 LYS CG . 19363 1 788 . 1 1 66 66 LYS CD C 13 28.971 0.074 . 1 . . . A 371 LYS CD . 19363 1 789 . 1 1 66 66 LYS CE C 13 41.916 0.400 . 1 . . . A 371 LYS CE . 19363 1 790 . 1 1 66 66 LYS N N 15 118.542 0.400 . 1 . . . A 371 LYS N . 19363 1 791 . 1 1 67 67 GLN H H 1 7.913 0.040 . 1 . . . A 372 GLN H . 19363 1 792 . 1 1 67 67 GLN HA H 1 4.078 0.040 . 1 . . . A 372 GLN HA . 19363 1 793 . 1 1 67 67 GLN HB2 H 1 2.204 0.040 . 2 . . . A 372 GLN HB2 . 19363 1 794 . 1 1 67 67 GLN HB3 H 1 2.204 0.040 . 2 . . . A 372 GLN HB3 . 19363 1 795 . 1 1 67 67 GLN HG2 H 1 2.518 0.040 . 2 . . . A 372 GLN HG2 . 19363 1 796 . 1 1 67 67 GLN HG3 H 1 2.431 0.040 . 2 . . . A 372 GLN HG3 . 19363 1 797 . 1 1 67 67 GLN C C 13 178.314 0.400 . 1 . . . A 372 GLN C . 19363 1 798 . 1 1 67 67 GLN CA C 13 58.522 0.400 . 1 . . . A 372 GLN CA . 19363 1 799 . 1 1 67 67 GLN CB C 13 28.409 0.400 . 1 . . . A 372 GLN CB . 19363 1 800 . 1 1 67 67 GLN CG C 13 34.035 0.019 . 1 . . . A 372 GLN CG . 19363 1 801 . 1 1 67 67 GLN N N 15 116.974 0.400 . 1 . . . A 372 GLN N . 19363 1 802 . 1 1 68 68 LEU H H 1 7.94 0.040 . 1 . . . A 373 LEU H . 19363 1 803 . 1 1 68 68 LEU HA H 1 4.135 0.040 . 1 . . . A 373 LEU HA . 19363 1 804 . 1 1 68 68 LEU HB2 H 1 1.692 0.040 . 2 . . . A 373 LEU HB2 . 19363 1 805 . 1 1 68 68 LEU HB3 H 1 1.857 0.040 . 2 . . . A 373 LEU HB3 . 19363 1 806 . 1 1 68 68 LEU HG H 1 1.769 0.040 . 1 . . . A 373 LEU HG . 19363 1 807 . 1 1 68 68 LEU HD11 H 1 0.906 0.040 . 2 . . . A 373 LEU HD11 . 19363 1 808 . 1 1 68 68 LEU HD12 H 1 0.906 0.040 . 2 . . . A 373 LEU HD12 . 19363 1 809 . 1 1 68 68 LEU HD13 H 1 0.906 0.040 . 2 . . . A 373 LEU HD13 . 19363 1 810 . 1 1 68 68 LEU HD21 H 1 0.957 0.040 . 2 . . . A 373 LEU HD21 . 19363 1 811 . 1 1 68 68 LEU HD22 H 1 0.957 0.040 . 2 . . . A 373 LEU HD22 . 19363 1 812 . 1 1 68 68 LEU HD23 H 1 0.957 0.040 . 2 . . . A 373 LEU HD23 . 19363 1 813 . 1 1 68 68 LEU C C 13 178.569 0.400 . 1 . . . A 373 LEU C . 19363 1 814 . 1 1 68 68 LEU CA C 13 57.501 0.400 . 1 . . . A 373 LEU CA . 19363 1 815 . 1 1 68 68 LEU CB C 13 41.795 0.001 . 1 . . . A 373 LEU CB . 19363 1 816 . 1 1 68 68 LEU CG C 13 26.945 0.400 . 1 . . . A 373 LEU CG . 19363 1 817 . 1 1 68 68 LEU CD1 C 13 23.477 0.400 . 2 . . . A 373 LEU CD1 . 19363 1 818 . 1 1 68 68 LEU CD2 C 13 24.643 0.400 . 2 . . . A 373 LEU CD2 . 19363 1 819 . 1 1 68 68 LEU N N 15 120.206 0.400 . 1 . . . A 373 LEU N . 19363 1 820 . 1 1 69 69 LEU H H 1 7.912 0.040 . 1 . . . A 374 LEU H . 19363 1 821 . 1 1 69 69 LEU HA H 1 4.085 0.040 . 1 . . . A 374 LEU HA . 19363 1 822 . 1 1 69 69 LEU HB2 H 1 1.691 0.040 . 2 . . . A 374 LEU HB2 . 19363 1 823 . 1 1 69 69 LEU HB3 H 1 1.869 0.040 . 2 . . . A 374 LEU HB3 . 19363 1 824 . 1 1 69 69 LEU HG H 1 1.804 0.040 . 1 . . . A 374 LEU HG . 19363 1 825 . 1 1 69 69 LEU HD11 H 1 0.942 0.040 . 2 . . . A 374 LEU HD11 . 19363 1 826 . 1 1 69 69 LEU HD12 H 1 0.942 0.040 . 2 . . . A 374 LEU HD12 . 19363 1 827 . 1 1 69 69 LEU HD13 H 1 0.942 0.040 . 2 . . . A 374 LEU HD13 . 19363 1 828 . 1 1 69 69 LEU HD21 H 1 0.911 0.040 . 2 . . . A 374 LEU HD21 . 19363 1 829 . 1 1 69 69 LEU HD22 H 1 0.911 0.040 . 2 . . . A 374 LEU HD22 . 19363 1 830 . 1 1 69 69 LEU HD23 H 1 0.911 0.040 . 2 . . . A 374 LEU HD23 . 19363 1 831 . 1 1 69 69 LEU C C 13 179.197 0.400 . 1 . . . A 374 LEU C . 19363 1 832 . 1 1 69 69 LEU CA C 13 57.659 0.400 . 1 . . . A 374 LEU CA . 19363 1 833 . 1 1 69 69 LEU CB C 13 41.743 0.002 . 1 . . . A 374 LEU CB . 19363 1 834 . 1 1 69 69 LEU CG C 13 26.86 0.400 . 1 . . . A 374 LEU CG . 19363 1 835 . 1 1 69 69 LEU CD1 C 13 24.419 0.400 . 2 . . . A 374 LEU CD1 . 19363 1 836 . 1 1 69 69 LEU CD2 C 13 23.261 0.400 . 2 . . . A 374 LEU CD2 . 19363 1 837 . 1 1 69 69 LEU N N 15 119.726 0.400 . 1 . . . A 374 LEU N . 19363 1 838 . 1 1 70 70 VAL H H 1 7.951 0.040 . 1 . . . A 375 VAL H . 19363 1 839 . 1 1 70 70 VAL HA H 1 3.84 0.040 . 1 . . . A 375 VAL HA . 19363 1 840 . 1 1 70 70 VAL HB H 1 2.196 0.040 . 1 . . . A 375 VAL HB . 19363 1 841 . 1 1 70 70 VAL HG11 H 1 1.085 0.040 . 2 . . . A 375 VAL HG11 . 19363 1 842 . 1 1 70 70 VAL HG12 H 1 1.085 0.040 . 2 . . . A 375 VAL HG12 . 19363 1 843 . 1 1 70 70 VAL HG13 H 1 1.085 0.040 . 2 . . . A 375 VAL HG13 . 19363 1 844 . 1 1 70 70 VAL HG21 H 1 0.993 0.040 . 2 . . . A 375 VAL HG21 . 19363 1 845 . 1 1 70 70 VAL HG22 H 1 0.993 0.040 . 2 . . . A 375 VAL HG22 . 19363 1 846 . 1 1 70 70 VAL HG23 H 1 0.993 0.040 . 2 . . . A 375 VAL HG23 . 19363 1 847 . 1 1 70 70 VAL C C 13 178.331 0.400 . 1 . . . A 375 VAL C . 19363 1 848 . 1 1 70 70 VAL CA C 13 65.312 0.400 . 1 . . . A 375 VAL CA . 19363 1 849 . 1 1 70 70 VAL CB C 13 31.917 0.400 . 1 . . . A 375 VAL CB . 19363 1 850 . 1 1 70 70 VAL CG1 C 13 21.901 0.400 . 2 . . . A 375 VAL CG1 . 19363 1 851 . 1 1 70 70 VAL CG2 C 13 21.019 0.400 . 2 . . . A 375 VAL CG2 . 19363 1 852 . 1 1 70 70 VAL N N 15 118.393 0.400 . 1 . . . A 375 VAL N . 19363 1 853 . 1 1 71 71 ALA H H 1 7.987 0.040 . 1 . . . A 376 ALA H . 19363 1 854 . 1 1 71 71 ALA HA H 1 4.227 0.040 . 1 . . . A 376 ALA HA . 19363 1 855 . 1 1 71 71 ALA HB1 H 1 1.539 0.040 . 1 . . . A 376 ALA HB1 . 19363 1 856 . 1 1 71 71 ALA HB2 H 1 1.539 0.040 . 1 . . . A 376 ALA HB2 . 19363 1 857 . 1 1 71 71 ALA HB3 H 1 1.539 0.040 . 1 . . . A 376 ALA HB3 . 19363 1 858 . 1 1 71 71 ALA C C 13 179.605 0.400 . 1 . . . A 376 ALA C . 19363 1 859 . 1 1 71 71 ALA CA C 13 54.242 0.400 . 1 . . . A 376 ALA CA . 19363 1 860 . 1 1 71 71 ALA CB C 13 18.281 0.400 . 1 . . . A 376 ALA CB . 19363 1 861 . 1 1 71 71 ALA N N 15 123.662 0.400 . 1 . . . A 376 ALA N . 19363 1 862 . 1 1 72 72 LYS H H 1 8.257 0.040 . 1 . . . A 377 LYS H . 19363 1 863 . 1 1 72 72 LYS HA H 1 4.144 0.040 . 1 . . . A 377 LYS HA . 19363 1 864 . 1 1 72 72 LYS HB2 H 1 1.984 0.040 . 2 . . . A 377 LYS HB2 . 19363 1 865 . 1 1 72 72 LYS HB3 H 1 1.984 0.040 . 2 . . . A 377 LYS HB3 . 19363 1 866 . 1 1 72 72 LYS HG2 H 1 1.583 0.040 . 2 . . . A 377 LYS HG2 . 19363 1 867 . 1 1 72 72 LYS HG3 H 1 1.477 0.040 . 2 . . . A 377 LYS HG3 . 19363 1 868 . 1 1 72 72 LYS HD2 H 1 1.718 0.040 . 2 . . . A 377 LYS HD2 . 19363 1 869 . 1 1 72 72 LYS HE2 H 1 2.99 0.040 . 2 . . . A 377 LYS HE2 . 19363 1 870 . 1 1 72 72 LYS HE3 H 1 2.99 0.040 . 2 . . . A 377 LYS HE3 . 19363 1 871 . 1 1 72 72 LYS C C 13 178.314 0.400 . 1 . . . A 377 LYS C . 19363 1 872 . 1 1 72 72 LYS CA C 13 58.634 0.400 . 1 . . . A 377 LYS CA . 19363 1 873 . 1 1 72 72 LYS CB C 13 32.704 0.400 . 1 . . . A 377 LYS CB . 19363 1 874 . 1 1 72 72 LYS CG C 13 24.876 0.002 . 1 . . . A 377 LYS CG . 19363 1 875 . 1 1 72 72 LYS CD C 13 29.151 0.400 . 1 . . . A 377 LYS CD . 19363 1 876 . 1 1 72 72 LYS CE C 13 41.922 0.400 . 1 . . . A 377 LYS CE . 19363 1 877 . 1 1 72 72 LYS N N 15 119.027 0.400 . 1 . . . A 377 LYS N . 19363 1 878 . 1 1 73 73 GLU H H 1 8.303 0.040 . 1 . . . A 378 GLU H . 19363 1 879 . 1 1 73 73 GLU HA H 1 4.139 0.040 . 1 . . . A 378 GLU HA . 19363 1 880 . 1 1 73 73 GLU HB2 H 1 2.143 0.040 . 2 . . . A 378 GLU HB2 . 19363 1 881 . 1 1 73 73 GLU HB3 H 1 2.143 0.040 . 2 . . . A 378 GLU HB3 . 19363 1 882 . 1 1 73 73 GLU HG2 H 1 2.421 0.040 . 2 . . . A 378 GLU HG2 . 19363 1 883 . 1 1 73 73 GLU HG3 H 1 2.277 0.040 . 2 . . . A 378 GLU HG3 . 19363 1 884 . 1 1 73 73 GLU C C 13 178.637 0.400 . 1 . . . A 378 GLU C . 19363 1 885 . 1 1 73 73 GLU CA C 13 58.573 0.400 . 1 . . . A 378 GLU CA . 19363 1 886 . 1 1 73 73 GLU CB C 13 29.501 0.400 . 1 . . . A 378 GLU CB . 19363 1 887 . 1 1 73 73 GLU CG C 13 36.056 0.002 . 1 . . . A 378 GLU CG . 19363 1 888 . 1 1 73 73 GLU N N 15 119.232 0.400 . 1 . . . A 378 GLU N . 19363 1 889 . 1 1 74 74 GLY H H 1 8.283 0.040 . 1 . . . A 379 GLY H . 19363 1 890 . 1 1 74 74 GLY HA2 H 1 3.938 0.040 . 2 . . . A 379 GLY HA2 . 19363 1 891 . 1 1 74 74 GLY HA3 H 1 3.938 0.040 . 2 . . . A 379 GLY HA3 . 19363 1 892 . 1 1 74 74 GLY C C 13 175.189 0.400 . 1 . . . A 379 GLY C . 19363 1 893 . 1 1 74 74 GLY CA C 13 46.39 0.400 . 1 . . . A 379 GLY CA . 19363 1 894 . 1 1 74 74 GLY N N 15 107.435 0.400 . 1 . . . A 379 GLY N . 19363 1 895 . 1 1 75 75 ALA H H 1 8.035 0.040 . 1 . . . A 380 ALA H . 19363 1 896 . 1 1 75 75 ALA HA H 1 4.225 0.040 . 1 . . . A 380 ALA HA . 19363 1 897 . 1 1 75 75 ALA HB1 H 1 1.52 0.040 . 1 . . . A 380 ALA HB1 . 19363 1 898 . 1 1 75 75 ALA HB2 H 1 1.52 0.040 . 1 . . . A 380 ALA HB2 . 19363 1 899 . 1 1 75 75 ALA HB3 H 1 1.52 0.040 . 1 . . . A 380 ALA HB3 . 19363 1 900 . 1 1 75 75 ALA C C 13 179.197 0.400 . 1 . . . A 380 ALA C . 19363 1 901 . 1 1 75 75 ALA CA C 13 54.058 0.400 . 1 . . . A 380 ALA CA . 19363 1 902 . 1 1 75 75 ALA CB C 13 18.53 0.400 . 1 . . . A 380 ALA CB . 19363 1 903 . 1 1 75 75 ALA N N 15 123.157 0.400 . 1 . . . A 380 ALA N . 19363 1 904 . 1 1 76 76 GLU H H 1 8.147 0.040 . 1 . . . A 381 GLU H . 19363 1 905 . 1 1 76 76 GLU HA H 1 4.176 0.040 . 1 . . . A 381 GLU HA . 19363 1 906 . 1 1 76 76 GLU HB2 H 1 2.129 0.040 . 2 . . . A 381 GLU HB2 . 19363 1 907 . 1 1 76 76 GLU HB3 H 1 2.129 0.040 . 2 . . . A 381 GLU HB3 . 19363 1 908 . 1 1 76 76 GLU HG2 H 1 2.419 0.040 . 2 . . . A 381 GLU HG2 . 19363 1 909 . 1 1 76 76 GLU HG3 H 1 2.341 0.040 . 2 . . . A 381 GLU HG3 . 19363 1 910 . 1 1 76 76 GLU C C 13 177.821 0.400 . 1 . . . A 381 GLU C . 19363 1 911 . 1 1 76 76 GLU CA C 13 58.066 0.400 . 1 . . . A 381 GLU CA . 19363 1 912 . 1 1 76 76 GLU CB C 13 29.613 0.400 . 1 . . . A 381 GLU CB . 19363 1 913 . 1 1 76 76 GLU CG C 13 36.158 0.001 . 1 . . . A 381 GLU CG . 19363 1 914 . 1 1 76 76 GLU N N 15 117.199 0.400 . 1 . . . A 381 GLU N . 19363 1 915 . 1 1 77 77 LYS H H 1 7.91 0.040 . 1 . . . A 382 LYS H . 19363 1 916 . 1 1 77 77 LYS HA H 1 4.192 0.040 . 1 . . . A 382 LYS HA . 19363 1 917 . 1 1 77 77 LYS HB2 H 1 1.938 0.040 . 2 . . . A 382 LYS HB2 . 19363 1 918 . 1 1 77 77 LYS HB3 H 1 1.938 0.040 . 2 . . . A 382 LYS HB3 . 19363 1 919 . 1 1 77 77 LYS HG2 H 1 1.612 0.040 . 2 . . . A 382 LYS HG2 . 19363 1 920 . 1 1 77 77 LYS HG3 H 1 1.496 0.040 . 2 . . . A 382 LYS HG3 . 19363 1 921 . 1 1 77 77 LYS HD2 H 1 1.725 0.040 . 2 . . . A 382 LYS HD2 . 19363 1 922 . 1 1 77 77 LYS HD3 H 1 1.725 0.040 . 2 . . . A 382 LYS HD3 . 19363 1 923 . 1 1 77 77 LYS HE2 H 1 3.005 0.040 . 2 . . . A 382 LYS HE2 . 19363 1 924 . 1 1 77 77 LYS HE3 H 1 3.005 0.040 . 2 . . . A 382 LYS HE3 . 19363 1 925 . 1 1 77 77 LYS C C 13 177.686 0.400 . 1 . . . A 382 LYS C . 19363 1 926 . 1 1 77 77 LYS CA C 13 58.066 0.400 . 1 . . . A 382 LYS CA . 19363 1 927 . 1 1 77 77 LYS CB C 13 32.605 0.400 . 1 . . . A 382 LYS CB . 19363 1 928 . 1 1 77 77 LYS CG C 13 25.185 0.400 . 1 . . . A 382 LYS CG . 19363 1 929 . 1 1 77 77 LYS CD C 13 28.982 0.400 . 1 . . . A 382 LYS CD . 19363 1 930 . 1 1 77 77 LYS CE C 13 42.159 0.400 . 1 . . . A 382 LYS CE . 19363 1 931 . 1 1 77 77 LYS N N 15 118.829 0.400 . 1 . . . A 382 LYS N . 19363 1 932 . 1 1 78 78 ILE H H 1 7.627 0.040 . 1 . . . A 383 ILE H . 19363 1 933 . 1 1 78 78 ILE HA H 1 4.087 0.040 . 1 . . . A 383 ILE HA . 19363 1 934 . 1 1 78 78 ILE HB H 1 1.976 0.040 . 1 . . . A 383 ILE HB . 19363 1 935 . 1 1 78 78 ILE HG12 H 1 1.56 0.040 . 2 . . . A 383 ILE HG12 . 19363 1 936 . 1 1 78 78 ILE HG13 H 1 1.277 0.040 . 2 . . . A 383 ILE HG13 . 19363 1 937 . 1 1 78 78 ILE HG21 H 1 0.946 0.040 . 1 . . . A 383 ILE HG21 . 19363 1 938 . 1 1 78 78 ILE HG22 H 1 0.946 0.040 . 1 . . . A 383 ILE HG22 . 19363 1 939 . 1 1 78 78 ILE HG23 H 1 0.946 0.040 . 1 . . . A 383 ILE HG23 . 19363 1 940 . 1 1 78 78 ILE HD11 H 1 0.893 0.040 . 1 . . . A 383 ILE HD11 . 19363 1 941 . 1 1 78 78 ILE HD12 H 1 0.893 0.040 . 1 . . . A 383 ILE HD12 . 19363 1 942 . 1 1 78 78 ILE HD13 H 1 0.893 0.040 . 1 . . . A 383 ILE HD13 . 19363 1 943 . 1 1 78 78 ILE C C 13 176.616 0.400 . 1 . . . A 383 ILE C . 19363 1 944 . 1 1 78 78 ILE CA C 13 62.106 0.400 . 1 . . . A 383 ILE CA . 19363 1 945 . 1 1 78 78 ILE CB C 13 38.325 0.400 . 1 . . . A 383 ILE CB . 19363 1 946 . 1 1 78 78 ILE CG1 C 13 27.736 0.01 . 1 . . . A 383 ILE CG1 . 19363 1 947 . 1 1 78 78 ILE CG2 C 13 17.294 0.400 . 1 . . . A 383 ILE CG2 . 19363 1 948 . 1 1 78 78 ILE CD1 C 13 12.769 0.400 . 1 . . . A 383 ILE CD1 . 19363 1 949 . 1 1 78 78 ILE N N 15 117.65 0.400 . 1 . . . A 383 ILE N . 19363 1 950 . 1 1 79 79 LYS H H 1 7.88 0.040 . 1 . . . A 384 LYS H . 19363 1 951 . 1 1 79 79 LYS HA H 1 4.263 0.040 . 1 . . . A 384 LYS HA . 19363 1 952 . 1 1 79 79 LYS HB2 H 1 1.903 0.040 . 2 . . . A 384 LYS HB2 . 19363 1 953 . 1 1 79 79 LYS HB3 H 1 1.841 0.040 . 2 . . . A 384 LYS HB3 . 19363 1 954 . 1 1 79 79 LYS HG2 H 1 1.563 0.040 . 2 . . . A 384 LYS HG2 . 19363 1 955 . 1 1 79 79 LYS HG3 H 1 1.478 0.040 . 2 . . . A 384 LYS HG3 . 19363 1 956 . 1 1 79 79 LYS HD2 H 1 1.713 0.040 . 2 . . . A 384 LYS HD2 . 19363 1 957 . 1 1 79 79 LYS HD3 H 1 1.713 0.040 . 2 . . . A 384 LYS HD3 . 19363 1 958 . 1 1 79 79 LYS HE2 H 1 2.96 0.040 . 2 . . . A 384 LYS HE2 . 19363 1 959 . 1 1 79 79 LYS HE3 H 1 2.96 0.040 . 2 . . . A 384 LYS HE3 . 19363 1 960 . 1 1 79 79 LYS C C 13 176.565 0.400 . 1 . . . A 384 LYS C . 19363 1 961 . 1 1 79 79 LYS CA C 13 56.919 0.400 . 1 . . . A 384 LYS CA . 19363 1 962 . 1 1 79 79 LYS CB C 13 32.8 0.001 . 1 . . . A 384 LYS CB . 19363 1 963 . 1 1 79 79 LYS CG C 13 24.792 0.002 . 1 . . . A 384 LYS CG . 19363 1 964 . 1 1 79 79 LYS CD C 13 28.877 0.400 . 1 . . . A 384 LYS CD . 19363 1 965 . 1 1 79 79 LYS CE C 13 42.096 0.400 . 1 . . . A 384 LYS CE . 19363 1 966 . 1 1 79 79 LYS N N 15 122.04 0.400 . 1 . . . A 384 LYS N . 19363 1 967 . 1 1 80 80 LYS H H 1 7.927 0.040 . 1 . . . A 385 LYS H . 19363 1 968 . 1 1 80 80 LYS HA H 1 4.334 0.040 . 1 . . . A 385 LYS HA . 19363 1 969 . 1 1 80 80 LYS HB2 H 1 1.908 0.040 . 2 . . . A 385 LYS HB2 . 19363 1 970 . 1 1 80 80 LYS HB3 H 1 1.819 0.040 . 2 . . . A 385 LYS HB3 . 19363 1 971 . 1 1 80 80 LYS HG2 H 1 1.485 0.040 . 2 . . . A 385 LYS HG2 . 19363 1 972 . 1 1 80 80 LYS HG3 H 1 1.485 0.040 . 2 . . . A 385 LYS HG3 . 19363 1 973 . 1 1 80 80 LYS HD2 H 1 1.715 0.040 . 2 . . . A 385 LYS HD2 . 19363 1 974 . 1 1 80 80 LYS HD3 H 1 1.715 0.040 . 2 . . . A 385 LYS HD3 . 19363 1 975 . 1 1 80 80 LYS HE2 H 1 3.005 0.040 . 2 . . . A 385 LYS HE2 . 19363 1 976 . 1 1 80 80 LYS HE3 H 1 3.005 0.040 . 2 . . . A 385 LYS HE3 . 19363 1 977 . 1 1 80 80 LYS C C 13 176.106 0.400 . 1 . . . A 385 LYS C . 19363 1 978 . 1 1 80 80 LYS CA C 13 56.351 0.400 . 1 . . . A 385 LYS CA . 19363 1 979 . 1 1 80 80 LYS CB C 13 33.068 0.400 . 1 . . . A 385 LYS CB . 19363 1 980 . 1 1 80 80 LYS CG C 13 24.694 0.400 . 1 . . . A 385 LYS CG . 19363 1 981 . 1 1 80 80 LYS CD C 13 28.81 0.400 . 1 . . . A 385 LYS CD . 19363 1 982 . 1 1 80 80 LYS CE C 13 42.091 0.400 . 1 . . . A 385 LYS CE . 19363 1 983 . 1 1 80 80 LYS N N 15 120.437 0.400 . 1 . . . A 385 LYS N . 19363 1 984 . 1 1 81 81 LYS H H 1 8.085 0.040 . 1 . . . A 386 LYS H . 19363 1 985 . 1 1 81 81 LYS HA H 1 4.327 0.040 . 1 . . . A 386 LYS HA . 19363 1 986 . 1 1 81 81 LYS HB2 H 1 1.912 0.040 . 2 . . . A 386 LYS HB2 . 19363 1 987 . 1 1 81 81 LYS HB3 H 1 1.824 0.040 . 2 . . . A 386 LYS HB3 . 19363 1 988 . 1 1 81 81 LYS HG2 H 1 1.485 0.040 . 2 . . . A 386 LYS HG2 . 19363 1 989 . 1 1 81 81 LYS HG3 H 1 1.485 0.040 . 2 . . . A 386 LYS HG3 . 19363 1 990 . 1 1 81 81 LYS HD2 H 1 1.713 0.040 . 2 . . . A 386 LYS HD2 . 19363 1 991 . 1 1 81 81 LYS HD3 H 1 1.713 0.040 . 2 . . . A 386 LYS HD3 . 19363 1 992 . 1 1 81 81 LYS HE2 H 1 3.005 0.040 . 2 . . . A 386 LYS HE2 . 19363 1 993 . 1 1 81 81 LYS HE3 H 1 3.005 0.040 . 2 . . . A 386 LYS HE3 . 19363 1 994 . 1 1 81 81 LYS C C 13 175.325 0.400 . 1 . . . A 386 LYS C . 19363 1 995 . 1 1 81 81 LYS CA C 13 56.646 0.400 . 1 . . . A 386 LYS CA . 19363 1 996 . 1 1 81 81 LYS CB C 13 33.002 0.005 . 1 . . . A 386 LYS CB . 19363 1 997 . 1 1 81 81 LYS CG C 13 24.64 0.400 . 1 . . . A 386 LYS CG . 19363 1 998 . 1 1 81 81 LYS CD C 13 28.845 0.400 . 1 . . . A 386 LYS CD . 19363 1 999 . 1 1 81 81 LYS CE C 13 42.056 0.400 . 1 . . . A 386 LYS CE . 19363 1 1000 . 1 1 81 81 LYS N N 15 122.228 0.400 . 1 . . . A 386 LYS N . 19363 1 1001 . 1 1 82 82 ARG H H 1 7.831 0.040 . 1 . . . A 387 ARG H . 19363 1 1002 . 1 1 82 82 ARG HA H 1 4.212 0.040 . 1 . . . A 387 ARG HA . 19363 1 1003 . 1 1 82 82 ARG HB2 H 1 1.878 0.040 . 2 . . . A 387 ARG HB2 . 19363 1 1004 . 1 1 82 82 ARG HB3 H 1 1.756 0.040 . 2 . . . A 387 ARG HB3 . 19363 1 1005 . 1 1 82 82 ARG HD2 H 1 3.026 0.040 . 2 . . . A 387 ARG HD2 . 19363 1 1006 . 1 1 82 82 ARG HD3 H 1 3.026 0.040 . 2 . . . A 387 ARG HD3 . 19363 1 1007 . 1 1 82 82 ARG CA C 13 57.459 0.400 . 1 . . . A 387 ARG CA . 19363 1 1008 . 1 1 82 82 ARG CB C 13 31.66 0.002 . 1 . . . A 387 ARG CB . 19363 1 1009 . 1 1 82 82 ARG CD C 13 42.119 0.400 . 1 . . . A 387 ARG CD . 19363 1 1010 . 1 1 82 82 ARG N N 15 126.926 0.400 . 1 . . . A 387 ARG N . 19363 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19363 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19363 2 8 '2D 1H-13C HSQC' . . . 19363 2 12 '3D 1H-15N NOESY' . . . 19363 2 13 '3D 1H-13C NOESY' . . . 19363 2 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 . 2 2 1 1 GLY HA2 H 1 3.96 0.040 . 1 . . . B -1 GLY HA2 . 19363 2 2 . 2 2 1 1 GLY HA3 H 1 3.863 0.040 . 2 . . . B -1 GLY HA3 . 19363 2 3 . 2 2 1 1 GLY H H 1 8.47 0.040 . 1 . . . B -1 GLY H1 . 19363 2 4 . 2 2 1 1 GLY CA C 13 43.499 0.400 . 1 . . . B -1 GLY CA . 19363 2 5 . 2 2 1 1 GLY N N 15 123.293 0.400 . 1 . . . B -1 GLY N . 19363 2 6 . 2 2 2 2 SER H H 1 8.105 0.040 . 1 . . . B 0 SER H . 19363 2 7 . 2 2 2 2 SER HA H 1 4.501 0.040 . 1 . . . B 0 SER HA . 19363 2 8 . 2 2 2 2 SER HB2 H 1 3.949 0.040 . 2 . . . B 0 SER HB2 . 19363 2 9 . 2 2 2 2 SER HB3 H 1 3.866 0.040 . 2 . . . B 0 SER HB3 . 19363 2 10 . 2 2 2 2 SER CA C 13 58.535 0.400 . 1 . . . B 0 SER CA . 19363 2 11 . 2 2 2 2 SER CB C 13 63.641 0.400 . 1 . . . B 0 SER CB . 19363 2 12 . 2 2 2 2 SER N N 15 116.727 0.400 . 1 . . . B 0 SER N . 19363 2 13 . 2 2 3 3 GLU H H 1 9.072 0.040 . 1 . . . B 272 GLU H . 19363 2 14 . 2 2 3 3 GLU HA H 1 4.238 0.040 . 1 . . . B 272 GLU HA . 19363 2 15 . 2 2 3 3 GLU HB2 H 1 2.062 0.040 . 2 . . . B 272 GLU HB2 . 19363 2 16 . 2 2 3 3 GLU HB3 H 1 1.983 0.040 . 2 . . . B 272 GLU HB3 . 19363 2 17 . 2 2 3 3 GLU HG2 H 1 2.322 0.040 . 2 . . . B 272 GLU HG2 . 19363 2 18 . 2 2 3 3 GLU HG3 H 1 2.294 0.040 . 2 . . . B 272 GLU HG3 . 19363 2 19 . 2 2 3 3 GLU CA C 13 58.133 0.400 . 1 . . . B 272 GLU CA . 19363 2 20 . 2 2 3 3 GLU CB C 13 29.063 0.006 . 1 . . . B 272 GLU CB . 19363 2 21 . 2 2 3 3 GLU CG C 13 35.995 0.004 . 1 . . . B 272 GLU CG . 19363 2 22 . 2 2 3 3 GLU N N 15 123.183 0.400 . 1 . . . B 272 GLU N . 19363 2 23 . 2 2 4 4 LEU H H 1 8.146 0.040 . 1 . . . B 273 LEU H . 19363 2 24 . 2 2 4 4 LEU HA H 1 4.275 0.040 . 1 . . . B 273 LEU HA . 19363 2 25 . 2 2 4 4 LEU HB2 H 1 1.684 0.040 . 2 . . . B 273 LEU HB2 . 19363 2 26 . 2 2 4 4 LEU HB3 H 1 1.582 0.040 . 2 . . . B 273 LEU HB3 . 19363 2 27 . 2 2 4 4 LEU HG H 1 1.615 0.040 . 1 . . . B 273 LEU HG . 19363 2 28 . 2 2 4 4 LEU HD11 H 1 0.866 0.040 . 2 . . . B 273 LEU HD11 . 19363 2 29 . 2 2 4 4 LEU HD12 H 1 0.866 0.040 . 2 . . . B 273 LEU HD12 . 19363 2 30 . 2 2 4 4 LEU HD13 H 1 0.866 0.040 . 2 . . . B 273 LEU HD13 . 19363 2 31 . 2 2 4 4 LEU HD21 H 1 0.828 0.040 . 2 . . . B 273 LEU HD21 . 19363 2 32 . 2 2 4 4 LEU HD22 H 1 0.828 0.040 . 2 . . . B 273 LEU HD22 . 19363 2 33 . 2 2 4 4 LEU HD23 H 1 0.828 0.040 . 2 . . . B 273 LEU HD23 . 19363 2 34 . 2 2 4 4 LEU CA C 13 57.025 0.400 . 1 . . . B 273 LEU CA . 19363 2 35 . 2 2 4 4 LEU CB C 13 41.732 0.003 . 1 . . . B 273 LEU CB . 19363 2 36 . 2 2 4 4 LEU CG C 13 27.41 0.400 . 1 . . . B 273 LEU CG . 19363 2 37 . 2 2 4 4 LEU CD1 C 13 24.045 0.400 . 2 . . . B 273 LEU CD1 . 19363 2 38 . 2 2 4 4 LEU CD2 C 13 23.626 0.400 . 2 . . . B 273 LEU CD2 . 19363 2 39 . 2 2 4 4 LEU N N 15 120.589 0.400 . 1 . . . B 273 LEU N . 19363 2 40 . 2 2 5 5 ASN H H 1 8.061 0.040 . 1 . . . B 274 ASN H . 19363 2 41 . 2 2 5 5 ASN HA H 1 4.65 0.040 . 1 . . . B 274 ASN HA . 19363 2 42 . 2 2 5 5 ASN HB2 H 1 2.846 0.040 . 2 . . . B 274 ASN HB2 . 19363 2 43 . 2 2 5 5 ASN HB3 H 1 2.827 0.040 . 2 . . . B 274 ASN HB3 . 19363 2 44 . 2 2 5 5 ASN HD21 H 1 6.815 0.040 . 2 . . . B 274 ASN HD21 . 19363 2 45 . 2 2 5 5 ASN HD22 H 1 7.621 0.040 . 2 . . . B 274 ASN HD22 . 19363 2 46 . 2 2 5 5 ASN CA C 13 55.686 0.400 . 1 . . . B 274 ASN CA . 19363 2 47 . 2 2 5 5 ASN CB C 13 38.359 0.004 . 1 . . . B 274 ASN CB . 19363 2 48 . 2 2 5 5 ASN N N 15 117.793 0.400 . 1 . . . B 274 ASN N . 19363 2 49 . 2 2 5 5 ASN ND2 N 15 111.579 0.400 . 1 . . . B 274 ASN ND2 . 19363 2 50 . 2 2 6 6 GLU H H 1 8.376 0.040 . 1 . . . B 275 GLU H . 19363 2 51 . 2 2 6 6 GLU HA H 1 4.13 0.040 . 1 . . . B 275 GLU HA . 19363 2 52 . 2 2 6 6 GLU HB2 H 1 2.075 0.040 . 2 . . . B 275 GLU HB2 . 19363 2 53 . 2 2 6 6 GLU HB3 H 1 2.049 0.040 . 2 . . . B 275 GLU HB3 . 19363 2 54 . 2 2 6 6 GLU HG2 H 1 2.333 0.040 . 2 . . . B 275 GLU HG2 . 19363 2 55 . 2 2 6 6 GLU HG3 H 1 2.307 0.040 . 2 . . . B 275 GLU HG3 . 19363 2 56 . 2 2 6 6 GLU CA C 13 58.685 0.400 . 1 . . . B 275 GLU CA . 19363 2 57 . 2 2 6 6 GLU CB C 13 29.149 0.001 . 1 . . . B 275 GLU CB . 19363 2 58 . 2 2 6 6 GLU CG C 13 35.838 0.400 . 1 . . . B 275 GLU CG . 19363 2 59 . 2 2 6 6 GLU N N 15 120.251 0.400 . 1 . . . B 275 GLU N . 19363 2 60 . 2 2 7 7 LEU H H 1 7.925 0.040 . 1 . . . B 276 LEU H . 19363 2 61 . 2 2 7 7 LEU HA H 1 4.205 0.040 . 1 . . . B 276 LEU HA . 19363 2 62 . 2 2 7 7 LEU HB2 H 1 1.745 0.040 . 2 . . . B 276 LEU HB2 . 19363 2 63 . 2 2 7 7 LEU HB3 H 1 1.687 0.040 . 2 . . . B 276 LEU HB3 . 19363 2 64 . 2 2 7 7 LEU HG H 1 1.668 0.040 . 1 . . . B 276 LEU HG . 19363 2 65 . 2 2 7 7 LEU HD11 H 1 0.903 0.040 . 2 . . . B 276 LEU HD11 . 19363 2 66 . 2 2 7 7 LEU HD12 H 1 0.903 0.040 . 2 . . . B 276 LEU HD12 . 19363 2 67 . 2 2 7 7 LEU HD13 H 1 0.903 0.040 . 2 . . . B 276 LEU HD13 . 19363 2 68 . 2 2 7 7 LEU HD21 H 1 0.844 0.040 . 2 . . . B 276 LEU HD21 . 19363 2 69 . 2 2 7 7 LEU HD22 H 1 0.844 0.040 . 2 . . . B 276 LEU HD22 . 19363 2 70 . 2 2 7 7 LEU HD23 H 1 0.844 0.040 . 2 . . . B 276 LEU HD23 . 19363 2 71 . 2 2 7 7 LEU CA C 13 57.301 0.400 . 1 . . . B 276 LEU CA . 19363 2 72 . 2 2 7 7 LEU CB C 13 41.658 0.003 . 1 . . . B 276 LEU CB . 19363 2 73 . 2 2 7 7 LEU CG C 13 26.963 0.400 . 1 . . . B 276 LEU CG . 19363 2 74 . 2 2 7 7 LEU CD1 C 13 24.257 0.400 . 2 . . . B 276 LEU CD1 . 19363 2 75 . 2 2 7 7 LEU CD2 C 13 23.295 0.400 . 2 . . . B 276 LEU CD2 . 19363 2 76 . 2 2 7 7 LEU N N 15 120.015 0.400 . 1 . . . B 276 LEU N . 19363 2 77 . 2 2 8 8 ALA H H 1 7.981 0.040 . 1 . . . B 277 ALA H . 19363 2 78 . 2 2 8 8 ALA HA H 1 4.098 0.040 . 1 . . . B 277 ALA HA . 19363 2 79 . 2 2 8 8 ALA HB1 H 1 1.473 0.040 . 1 . . . B 277 ALA HB1 . 19363 2 80 . 2 2 8 8 ALA HB2 H 1 1.473 0.040 . 1 . . . B 277 ALA HB2 . 19363 2 81 . 2 2 8 8 ALA HB3 H 1 1.473 0.040 . 1 . . . B 277 ALA HB3 . 19363 2 82 . 2 2 8 8 ALA CA C 13 54.702 0.400 . 1 . . . B 277 ALA CA . 19363 2 83 . 2 2 8 8 ALA CB C 13 17.78 0.400 . 1 . . . B 277 ALA CB . 19363 2 84 . 2 2 8 8 ALA N N 15 121.198 0.400 . 1 . . . B 277 ALA N . 19363 2 85 . 2 2 9 9 GLU H H 1 8.004 0.040 . 1 . . . B 278 GLU H . 19363 2 86 . 2 2 9 9 GLU HA H 1 4.1 0.040 . 1 . . . B 278 GLU HA . 19363 2 87 . 2 2 9 9 GLU HB2 H 1 2.078 0.040 . 2 . . . B 278 GLU HB2 . 19363 2 88 . 2 2 9 9 GLU HB3 H 1 2.052 0.040 . 2 . . . B 278 GLU HB3 . 19363 2 89 . 2 2 9 9 GLU HG2 H 1 2.3 0.040 . 2 . . . B 278 GLU HG2 . 19363 2 90 . 2 2 9 9 GLU HG3 H 1 2.286 0.040 . 2 . . . B 278 GLU HG3 . 19363 2 91 . 2 2 9 9 GLU CA C 13 58.743 0.400 . 1 . . . B 278 GLU CA . 19363 2 92 . 2 2 9 9 GLU CB C 13 29.268 0.400 . 1 . . . B 278 GLU CB . 19363 2 93 . 2 2 9 9 GLU CG C 13 35.363 0.400 . 1 . . . B 278 GLU CG . 19363 2 94 . 2 2 9 9 GLU N N 15 117.675 0.400 . 1 . . . B 278 GLU N . 19363 2 95 . 2 2 10 10 PHE H H 1 7.846 0.040 . 1 . . . B 279 PHE H . 19363 2 96 . 2 2 10 10 PHE HA H 1 4.283 0.040 . 1 . . . B 279 PHE HA . 19363 2 97 . 2 2 10 10 PHE HB2 H 1 3.196 0.040 . 2 . . . B 279 PHE HB2 . 19363 2 98 . 2 2 10 10 PHE HB3 H 1 3.196 0.040 . 2 . . . B 279 PHE HB3 . 19363 2 99 . 2 2 10 10 PHE CA C 13 60.562 0.400 . 1 . . . B 279 PHE CA . 19363 2 100 . 2 2 10 10 PHE CB C 13 38.731 0.400 . 1 . . . B 279 PHE CB . 19363 2 101 . 2 2 10 10 PHE N N 15 117.667 0.400 . 1 . . . B 279 PHE N . 19363 2 102 . 2 2 11 11 ALA H H 1 8.331 0.040 . 1 . . . B 280 ALA H . 19363 2 103 . 2 2 11 11 ALA HA H 1 3.994 0.040 . 1 . . . B 280 ALA HA . 19363 2 104 . 2 2 11 11 ALA HB1 H 1 1.468 0.040 . 1 . . . B 280 ALA HB1 . 19363 2 105 . 2 2 11 11 ALA HB2 H 1 1.468 0.040 . 1 . . . B 280 ALA HB2 . 19363 2 106 . 2 2 11 11 ALA HB3 H 1 1.468 0.040 . 1 . . . B 280 ALA HB3 . 19363 2 107 . 2 2 11 11 ALA CA C 13 54.755 0.400 . 1 . . . B 280 ALA CA . 19363 2 108 . 2 2 11 11 ALA CB C 13 17.979 0.400 . 1 . . . B 280 ALA CB . 19363 2 109 . 2 2 11 11 ALA N N 15 121.423 0.400 . 1 . . . B 280 ALA N . 19363 2 110 . 2 2 12 12 ARG H H 1 8.094 0.040 . 1 . . . B 281 ARG H . 19363 2 111 . 2 2 12 12 ARG HA H 1 4.24 0.040 . 1 . . . B 281 ARG HA . 19363 2 112 . 2 2 12 12 ARG HB2 H 1 1.863 0.040 . 2 . . . B 281 ARG HB2 . 19363 2 113 . 2 2 12 12 ARG HB3 H 1 1.774 0.040 . 2 . . . B 281 ARG HB3 . 19363 2 114 . 2 2 12 12 ARG HG2 H 1 1.705 0.040 . 2 . . . B 281 ARG HG2 . 19363 2 115 . 2 2 12 12 ARG HG3 H 1 1.632 0.040 . 2 . . . B 281 ARG HG3 . 19363 2 116 . 2 2 12 12 ARG HD2 H 1 3.207 0.040 . 2 . . . B 281 ARG HD2 . 19363 2 117 . 2 2 12 12 ARG HD3 H 1 3.169 0.040 . 2 . . . B 281 ARG HD3 . 19363 2 118 . 2 2 12 12 ARG CA C 13 56.264 0.400 . 1 . . . B 281 ARG CA . 19363 2 119 . 2 2 12 12 ARG CB C 13 32.977 0.400 . 1 . . . B 281 ARG CB . 19363 2 120 . 2 2 12 12 ARG CG C 13 26.712 0.005 . 1 . . . B 281 ARG CG . 19363 2 121 . 2 2 12 12 ARG CD C 13 43.288 0.002 . 1 . . . B 281 ARG CD . 19363 2 122 . 2 2 12 12 ARG N N 15 119.833 0.400 . 1 . . . B 281 ARG N . 19363 2 123 . 2 2 13 13 LEU H H 1 7.899 0.040 . 1 . . . B 282 LEU H . 19363 2 124 . 2 2 13 13 LEU HA H 1 4.089 0.040 . 1 . . . B 282 LEU HA . 19363 2 125 . 2 2 13 13 LEU HB2 H 1 1.689 0.040 . 2 . . . B 282 LEU HB2 . 19363 2 126 . 2 2 13 13 LEU HB3 H 1 1.641 0.040 . 2 . . . B 282 LEU HB3 . 19363 2 127 . 2 2 13 13 LEU HG H 1 1.602 0.040 . 1 . . . B 282 LEU HG . 19363 2 128 . 2 2 13 13 LEU HD11 H 1 0.893 0.040 . 2 . . . B 282 LEU HD11 . 19363 2 129 . 2 2 13 13 LEU HD12 H 1 0.893 0.040 . 2 . . . B 282 LEU HD12 . 19363 2 130 . 2 2 13 13 LEU HD13 H 1 0.893 0.040 . 2 . . . B 282 LEU HD13 . 19363 2 131 . 2 2 13 13 LEU HD21 H 1 0.815 0.040 . 2 . . . B 282 LEU HD21 . 19363 2 132 . 2 2 13 13 LEU HD22 H 1 0.815 0.040 . 2 . . . B 282 LEU HD22 . 19363 2 133 . 2 2 13 13 LEU HD23 H 1 0.815 0.040 . 2 . . . B 282 LEU HD23 . 19363 2 134 . 2 2 13 13 LEU CA C 13 57.296 0.400 . 1 . . . B 282 LEU CA . 19363 2 135 . 2 2 13 13 LEU CB C 13 41.592 0.400 . 1 . . . B 282 LEU CB . 19363 2 136 . 2 2 13 13 LEU CG C 13 27.193 0.400 . 1 . . . B 282 LEU CG . 19363 2 137 . 2 2 13 13 LEU CD1 C 13 24.467 0.400 . 2 . . . B 282 LEU CD1 . 19363 2 138 . 2 2 13 13 LEU CD2 C 13 24.849 0.400 . 2 . . . B 282 LEU CD2 . 19363 2 139 . 2 2 13 13 LEU N N 15 120.823 0.400 . 1 . . . B 282 LEU N . 19363 2 140 . 2 2 14 14 GLN H H 1 8.103 0.040 . 1 . . . B 283 GLN H . 19363 2 141 . 2 2 14 14 GLN HA H 1 3.855 0.040 . 1 . . . B 283 GLN HA . 19363 2 142 . 2 2 14 14 GLN HB2 H 1 2.004 0.040 . 2 . . . B 283 GLN HB2 . 19363 2 143 . 2 2 14 14 GLN HB3 H 1 1.931 0.040 . 2 . . . B 283 GLN HB3 . 19363 2 144 . 2 2 14 14 GLN HG2 H 1 2.162 0.040 . 2 . . . B 283 GLN HG2 . 19363 2 145 . 2 2 14 14 GLN HG3 H 1 2.138 0.040 . 2 . . . B 283 GLN HG3 . 19363 2 146 . 2 2 14 14 GLN HE21 H 1 6.478 0.040 . 2 . . . B 283 GLN HE21 . 19363 2 147 . 2 2 14 14 GLN HE22 H 1 6.932 0.040 . 2 . . . B 283 GLN HE22 . 19363 2 148 . 2 2 14 14 GLN CA C 13 58.07 0.400 . 1 . . . B 283 GLN CA . 19363 2 149 . 2 2 14 14 GLN CB C 13 28.357 0.003 . 1 . . . B 283 GLN CB . 19363 2 150 . 2 2 14 14 GLN CG C 13 33.601 0.400 . 1 . . . B 283 GLN CG . 19363 2 151 . 2 2 14 14 GLN N N 15 117.584 0.400 . 1 . . . B 283 GLN N . 19363 2 152 . 2 2 14 14 GLN NE2 N 15 111.07 0.400 . 1 . . . B 283 GLN NE2 . 19363 2 153 . 2 2 15 15 ASP H H 1 7.911 0.040 . 1 . . . B 284 ASP H . 19363 2 154 . 2 2 15 15 ASP HA H 1 4.479 0.040 . 1 . . . B 284 ASP HA . 19363 2 155 . 2 2 15 15 ASP HB2 H 1 2.768 0.040 . 2 . . . B 284 ASP HB2 . 19363 2 156 . 2 2 15 15 ASP HB3 H 1 2.726 0.040 . 2 . . . B 284 ASP HB3 . 19363 2 157 . 2 2 15 15 ASP CA C 13 56.389 0.400 . 1 . . . B 284 ASP CA . 19363 2 158 . 2 2 15 15 ASP CB C 13 41.154 0.004 . 1 . . . B 284 ASP CB . 19363 2 159 . 2 2 15 15 ASP N N 15 118.291 0.400 . 1 . . . B 284 ASP N . 19363 2 160 . 2 2 16 16 GLN H H 1 7.919 0.040 . 1 . . . B 285 GLN H . 19363 2 161 . 2 2 16 16 GLN HA H 1 3.855 0.040 . 1 . . . B 285 GLN HA . 19363 2 162 . 2 2 16 16 GLN HB2 H 1 2.157 0.040 . 2 . . . B 285 GLN HB2 . 19363 2 163 . 2 2 16 16 GLN HB3 H 1 2.143 0.040 . 2 . . . B 285 GLN HB3 . 19363 2 164 . 2 2 16 16 GLN HG2 H 1 2.436 0.040 . 2 . . . B 285 GLN HG2 . 19363 2 165 . 2 2 16 16 GLN HG3 H 1 2.372 0.040 . 2 . . . B 285 GLN HG3 . 19363 2 166 . 2 2 16 16 GLN HE21 H 1 7.341 0.040 . 2 . . . B 285 GLN HE21 . 19363 2 167 . 2 2 16 16 GLN HE22 H 1 6.675 0.040 . 2 . . . B 285 GLN HE22 . 19363 2 168 . 2 2 16 16 GLN CA C 13 58.171 0.400 . 1 . . . B 285 GLN CA . 19363 2 169 . 2 2 16 16 GLN CB C 13 28.789 0.001 . 1 . . . B 285 GLN CB . 19363 2 170 . 2 2 16 16 GLN CG C 13 33.872 0.011 . 1 . . . B 285 GLN CG . 19363 2 171 . 2 2 16 16 GLN N N 15 118.022 0.400 . 1 . . . B 285 GLN N . 19363 2 172 . 2 2 16 16 GLN NE2 N 15 110.641 0.400 . 1 . . . B 285 GLN NE2 . 19363 2 173 . 2 2 17 17 LEU H H 1 8.047 0.040 . 1 . . . B 286 LEU H . 19363 2 174 . 2 2 17 17 LEU HA H 1 4.125 0.040 . 1 . . . B 286 LEU HA . 19363 2 175 . 2 2 17 17 LEU HB2 H 1 1.726 0.040 . 2 . . . B 286 LEU HB2 . 19363 2 176 . 2 2 17 17 LEU HB3 H 1 1.468 0.040 . 2 . . . B 286 LEU HB3 . 19363 2 177 . 2 2 17 17 LEU HG H 1 1.763 0.040 . 1 . . . B 286 LEU HG . 19363 2 178 . 2 2 17 17 LEU HD11 H 1 0.837 0.040 . 2 . . . B 286 LEU HD11 . 19363 2 179 . 2 2 17 17 LEU HD12 H 1 0.837 0.040 . 2 . . . B 286 LEU HD12 . 19363 2 180 . 2 2 17 17 LEU HD13 H 1 0.837 0.040 . 2 . . . B 286 LEU HD13 . 19363 2 181 . 2 2 17 17 LEU HD21 H 1 0.799 0.040 . 2 . . . B 286 LEU HD21 . 19363 2 182 . 2 2 17 17 LEU HD22 H 1 0.799 0.040 . 2 . . . B 286 LEU HD22 . 19363 2 183 . 2 2 17 17 LEU HD23 H 1 0.799 0.040 . 2 . . . B 286 LEU HD23 . 19363 2 184 . 2 2 17 17 LEU CA C 13 56.494 0.400 . 1 . . . B 286 LEU CA . 19363 2 185 . 2 2 17 17 LEU CB C 13 41.89 0.004 . 1 . . . B 286 LEU CB . 19363 2 186 . 2 2 17 17 LEU CG C 13 27.356 0.400 . 1 . . . B 286 LEU CG . 19363 2 187 . 2 2 17 17 LEU CD1 C 13 23.454 0.400 . 2 . . . B 286 LEU CD1 . 19363 2 188 . 2 2 17 17 LEU CD2 C 13 22.608 0.400 . 2 . . . B 286 LEU CD2 . 19363 2 189 . 2 2 17 17 LEU N N 15 120.015 0.400 . 1 . . . B 286 LEU N . 19363 2 190 . 2 2 18 18 ASP H H 1 8.127 0.040 . 1 . . . B 287 ASP H . 19363 2 191 . 2 2 18 18 ASP HA H 1 4.515 0.040 . 1 . . . B 287 ASP HA . 19363 2 192 . 2 2 18 18 ASP HB2 H 1 2.641 0.040 . 2 . . . B 287 ASP HB2 . 19363 2 193 . 2 2 18 18 ASP HB3 H 1 2.63 0.040 . 2 . . . B 287 ASP HB3 . 19363 2 194 . 2 2 18 18 ASP CA C 13 54.838 0.400 . 1 . . . B 287 ASP CA . 19363 2 195 . 2 2 18 18 ASP CB C 13 40.727 0.400 . 1 . . . B 287 ASP CB . 19363 2 196 . 2 2 18 18 ASP N N 15 118.603 0.400 . 1 . . . B 287 ASP N . 19363 2 197 . 2 2 19 19 HIS H H 1 8.009 0.040 . 1 . . . B 288 HIS H . 19363 2 198 . 2 2 19 19 HIS HA H 1 4.648 0.040 . 1 . . . B 288 HIS HA . 19363 2 199 . 2 2 19 19 HIS HB2 H 1 3.115 0.040 . 2 . . . B 288 HIS HB2 . 19363 2 200 . 2 2 19 19 HIS HB3 H 1 3.406 0.040 . 2 . . . B 288 HIS HB3 . 19363 2 201 . 2 2 19 19 HIS CA C 13 55.868 0.400 . 1 . . . B 288 HIS CA . 19363 2 202 . 2 2 19 19 HIS CB C 13 28.345 0.400 . 1 . . . B 288 HIS CB . 19363 2 203 . 2 2 19 19 HIS N N 15 117.213 0.400 . 1 . . . B 288 HIS N . 19363 2 204 . 2 2 20 20 ARG H H 1 8.076 0.040 . 1 . . . B 289 ARG H . 19363 2 205 . 2 2 20 20 ARG HA H 1 4.137 0.040 . 1 . . . B 289 ARG HA . 19363 2 206 . 2 2 20 20 ARG HB2 H 1 1.884 0.040 . 2 . . . B 289 ARG HB2 . 19363 2 207 . 2 2 20 20 ARG HB3 H 1 1.846 0.040 . 2 . . . B 289 ARG HB3 . 19363 2 208 . 2 2 20 20 ARG HG2 H 1 1.706 0.040 . 2 . . . B 289 ARG HG2 . 19363 2 209 . 2 2 20 20 ARG HG3 H 1 1.633 0.040 . 2 . . . B 289 ARG HG3 . 19363 2 210 . 2 2 20 20 ARG HD2 H 1 3.179 0.040 . 2 . . . B 289 ARG HD2 . 19363 2 211 . 2 2 20 20 ARG HD3 H 1 3.179 0.040 . 2 . . . B 289 ARG HD3 . 19363 2 212 . 2 2 20 20 ARG CA C 13 57.515 0.400 . 1 . . . B 289 ARG CA . 19363 2 213 . 2 2 20 20 ARG CB C 13 30.564 0.400 . 1 . . . B 289 ARG CB . 19363 2 214 . 2 2 20 20 ARG CG C 13 26.855 0.007 . 1 . . . B 289 ARG CG . 19363 2 215 . 2 2 20 20 ARG CD C 13 43.176 0.400 . 1 . . . B 289 ARG CD . 19363 2 216 . 2 2 20 20 ARG N N 15 120.724 0.400 . 1 . . . B 289 ARG N . 19363 2 217 . 2 2 21 21 GLY H H 1 8.362 0.040 . 1 . . . B 290 GLY H . 19363 2 218 . 2 2 21 21 GLY HA2 H 1 3.889 0.040 . 2 . . . B 290 GLY HA2 . 19363 2 219 . 2 2 21 21 GLY HA3 H 1 3.998 0.040 . 2 . . . B 290 GLY HA3 . 19363 2 220 . 2 2 21 21 GLY CA C 13 45.122 0.015 . 1 . . . B 290 GLY CA . 19363 2 221 . 2 2 21 21 GLY N N 15 108.414 0.400 . 1 . . . B 290 GLY N . 19363 2 222 . 2 2 22 22 ASP H H 1 8.095 0.040 . 1 . . . B 291 ASP H . 19363 2 223 . 2 2 22 22 ASP HA H 1 4.57 0.040 . 1 . . . B 291 ASP HA . 19363 2 224 . 2 2 22 22 ASP HB2 H 1 2.666 0.040 . 2 . . . B 291 ASP HB2 . 19363 2 225 . 2 2 22 22 ASP HB3 H 1 2.634 0.040 . 2 . . . B 291 ASP HB3 . 19363 2 226 . 2 2 22 22 ASP CA C 13 54.263 0.400 . 1 . . . B 291 ASP CA . 19363 2 227 . 2 2 22 22 ASP CB C 13 40.917 0.004 . 1 . . . B 291 ASP CB . 19363 2 228 . 2 2 22 22 ASP N N 15 120.002 0.400 . 1 . . . B 291 ASP N . 19363 2 229 . 2 2 23 23 HIS H H 1 7.821 0.040 . 1 . . . B 292 HIS H . 19363 2 230 . 2 2 23 23 HIS HA H 1 4.437 0.040 . 1 . . . B 292 HIS HA . 19363 2 231 . 2 2 23 23 HIS HB2 H 1 3.242 0.040 . 2 . . . B 292 HIS HB2 . 19363 2 232 . 2 2 23 23 HIS HB3 H 1 3.098 0.040 . 2 . . . B 292 HIS HB3 . 19363 2 233 . 2 2 23 23 HIS CA C 13 56.824 0.400 . 1 . . . B 292 HIS CA . 19363 2 234 . 2 2 23 23 HIS CB C 13 29.756 0.400 . 1 . . . B 292 HIS CB . 19363 2 235 . 2 2 23 23 HIS N N 15 121.877 0.400 . 1 . . . B 292 HIS N . 19363 2 stop_ save_