data_5788 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5788 _Entry.Title ; Structural basis for negative regulation of hypoxia-inducible factor-1alpha by CITED2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-04-29 _Entry.Accession_date 2003-04-29 _Entry.Last_release_date 2003-08-01 _Entry.Original_release_date 2003-08-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Steven Freedman . J. . 5788 2 Zhen-Yu Sun . J. . 5788 3 Andrew Kung . L. . 5788 4 Dennis France . S. . 5788 5 Gerhard Wagner . . . 5788 6 Michael Eck . J. . 5788 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5788 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 855 5788 '13C chemical shifts' 546 5788 '15N chemical shifts' 131 5788 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 . . 2003-08-01 2003-04-29 original author . 5788 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5788 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22708832 _Citation.DOI . _Citation.PubMed_ID 12778114 _Citation.Full_citation . _Citation.Title ; Structural Basis for Negative Regulation of Hypoxia-inducible Factor-1alpha by CITED2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 504 _Citation.Page_last 512 _Citation.Year 2003 _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 Steven Freedman . J. . 5788 1 2 Zhen-Yu Sun . J. . 5788 1 3 Andrew Kung . L. . 5788 1 4 Dennis France . S. . 5788 1 5 Gerhard Wagner . . . 5788 1 6 Michael Eck . J. . 5788 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5788 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11959990 _Citation.Full_citation ; Freedman SJ, Sun ZY, Poy F, Kung AL, Livingston DM, Wagner G, Eck MJ. Proc Natl Acad Sci U S A. 2002 Apr 16;99(8):5367-72. ; _Citation.Title 'Structural basis for recruitment of CBP/p300 by hypoxia-inducible factor-1 alpha.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 99 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0027-8424 _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 5367 _Citation.Page_last 5372 _Citation.Year 2002 _Citation.Details ; Adaptation to hypoxia is mediated by transactivation of hypoxia-responsive genes by hypoxia-inducible factor-1 (HIF-1) in complex with the CBP and p300 transcriptional coactivators. We report the solution structure of the cysteine/histidine-rich 1 (CH1) domain of p300 bound to the C-terminal transactivation domain of HIF-1 alpha. CH1 has a triangular geometry composed of four alpha-helices with three intervening Zn(2+)-coordinating centers. CH1 serves as a scaffold for folding of the HIF-1 alpha C-terminal transactivation domain, which forms a vise-like clamp on the CH1 domain that is stabilized by extensive hydrophobic and polar interactions. The structure reveals the mechanism of specific recognition of p300 by HIF-1 alpha, and shows how HIF-1 alpha transactivation is regulated by asparagine hydroxylation. ; 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 'Steven J' Freedman S. J. . 5788 2 2 'Zhen-Yu J' Sun Z. Y. . 5788 2 3 Florence Poy F. . . 5788 2 4 'Andrew L' Kung A. L. . 5788 2 5 'David M' Livingston D. M. . 5788 2 6 Gerhard Wagner G. . . 5788 2 7 'Michael J' Eck M. J. . 5788 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_complex _Assembly.Entry_ID 5788 _Assembly.ID 1 _Assembly.Name 'CBP/p300-interacting transactivators with a glutamic acid/aspartic acid (ED)-rich tail/p300 complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5788 1 stop_ 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 CITED2 1 $CITED2_TAD . . . native . . . . . 5788 1 2 'p300 cysteine histidine-rich 1 domain' 2 $p300_CH1 . . . native . . . . . 5788 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CBP/p300-interacting transactivators with a glutamic acid/aspartic acid (ED)-rich tail/p300 complex' system 5788 1 'CITED2/p300 complex' abbreviation 5788 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CITED2_TAD _Entity.Sf_category entity _Entity.Sf_framecode CITED2_TAD _Entity.Entry_ID 5788 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CITED2 transactivation domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGSGSGSNVIDTDFIDEEV LMSLVIEMGLDRIKELPELW LGQNEFDFMTDF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 5306 . CH1 . . . . . 100.00 101 100.00 100.00 1.59e-66 . . . . 5788 1 2 no PDB 1L3E . "Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX" . . . . . 100.00 101 100.00 100.00 1.59e-66 . . . . 5788 1 3 no PDB 1P4Q . "Solution Structure Of The Cited2 Transactivation Domain In Complex With The P300 Ch1 Domain" . . . . . 100.00 101 100.00 100.00 1.59e-66 . . . . 5788 1 4 no DBJ BAC31311 . "unnamed protein product [Mus musculus]" . . . . . 100.00 714 100.00 100.00 5.64e-66 . . . . 5788 1 5 no DBJ BAG10860 . "E1A binding protein p300 [synthetic construct]" . . . . . 100.00 2414 100.00 100.00 2.33e-63 . . . . 5788 1 6 no EMBL CAF93378 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 94.06 492 98.95 100.00 2.69e-62 . . . . 5788 1 7 no EMBL CAF95299 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 94.06 2730 98.95 100.00 1.80e-58 . . . . 5788 1 8 no EMBL CAG04516 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 94.06 2539 98.95 100.00 2.05e-58 . . . . 5788 1 9 no EMBL CBN81203 . "Histone acetyltransferase p300 [Dicentrarchus labrax]" . . . . . 94.06 2912 98.95 100.00 1.00e-58 . . . . 5788 1 10 no EMBL CDQ80651 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 94.06 701 98.95 100.00 1.27e-60 . . . . 5788 1 11 no GB AAA18639 . "p300 protein [Homo sapiens]" . . . . . 100.00 2414 100.00 100.00 2.33e-63 . . . . 5788 1 12 no GB AAB31182 . "p300=transcription coactivator {N-terminal} [mice, Peptide Partial, 688 aa]" . . . . . 100.00 688 98.02 99.01 1.08e-64 . . . . 5788 1 13 no GB AAH53889 . "EP300 protein, partial [Homo sapiens]" . . . . . 100.00 1553 100.00 100.00 8.39e-64 . . . . 5788 1 14 no GB AAI44977 . "Ep300 protein [Mus musculus]" . . . . . 100.00 2415 100.00 100.00 2.38e-63 . . . . 5788 1 15 no GB AAI50682 . "Ep300 protein [Mus musculus]" . . . . . 100.00 2415 100.00 100.00 2.38e-63 . . . . 5788 1 16 no REF NP_001231599 . "histone acetyltransferase p300 [Pan troglodytes]" . . . . . 100.00 2411 100.00 100.00 2.33e-63 . . . . 5788 1 17 no REF NP_001253415 . "histone acetyltransferase p300 [Macaca mulatta]" . . . . . 100.00 2414 100.00 100.00 2.65e-63 . . . . 5788 1 18 no REF NP_001420 . "histone acetyltransferase p300 [Homo sapiens]" . . . . . 100.00 2414 100.00 100.00 2.33e-63 . . . . 5788 1 19 no REF NP_808489 . "histone acetyltransferase p300 [Mus musculus]" . . . . . 100.00 2412 100.00 100.00 2.64e-63 . . . . 5788 1 20 no REF XP_001076610 . "PREDICTED: histone acetyltransferase p300 isoform X1 [Rattus norvegicus]" . . . . . 100.00 2413 100.00 100.00 2.33e-63 . . . . 5788 1 21 no SP B2RWS6 . "RecName: Full=Histone acetyltransferase p300; Short=p300 HAT; AltName: Full=E1A-associated protein p300 [Mus musculus]" . . . . . 100.00 2412 100.00 100.00 2.64e-63 . . . . 5788 1 22 no SP Q09472 . "RecName: Full=Histone acetyltransferase p300; Short=p300 HAT; AltName: Full=E1A-associated protein p300 [Homo sapiens]" . . . . . 100.00 2414 100.00 100.00 2.33e-63 . . . . 5788 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CITED2 transactivation domain' common 5788 1 'CITED2 TAD' abbreviation 5788 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 . GLY . 5788 1 2 . SER . 5788 1 3 . GLY . 5788 1 4 . SER . 5788 1 5 . GLY . 5788 1 6 . SER . 5788 1 7 . GLY . 5788 1 8 . SER . 5788 1 9 . ASN . 5788 1 10 . VAL . 5788 1 11 . ILE . 5788 1 12 . ASP . 5788 1 13 . THR . 5788 1 14 . ASP . 5788 1 15 . PHE . 5788 1 16 . ILE . 5788 1 17 . ASP . 5788 1 18 . GLU . 5788 1 19 . GLU . 5788 1 20 . VAL . 5788 1 21 . LEU . 5788 1 22 . MET . 5788 1 23 . SER . 5788 1 24 . LEU . 5788 1 25 . VAL . 5788 1 26 . ILE . 5788 1 27 . GLU . 5788 1 28 . MET . 5788 1 29 . GLY . 5788 1 30 . LEU . 5788 1 31 . ASP . 5788 1 32 . ARG . 5788 1 33 . ILE . 5788 1 34 . LYS . 5788 1 35 . GLU . 5788 1 36 . LEU . 5788 1 37 . PRO . 5788 1 38 . GLU . 5788 1 39 . LEU . 5788 1 40 . TRP . 5788 1 41 . LEU . 5788 1 42 . GLY . 5788 1 43 . GLN . 5788 1 44 . ASN . 5788 1 45 . GLU . 5788 1 46 . PHE . 5788 1 47 . ASP . 5788 1 48 . PHE . 5788 1 49 . MET . 5788 1 50 . THR . 5788 1 51 . ASP . 5788 1 52 . PHE . 5788 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 5788 1 . SER 2 2 5788 1 . GLY 3 3 5788 1 . SER 4 4 5788 1 . GLY 5 5 5788 1 . SER 6 6 5788 1 . GLY 7 7 5788 1 . SER 8 8 5788 1 . ASN 9 9 5788 1 . VAL 10 10 5788 1 . ILE 11 11 5788 1 . ASP 12 12 5788 1 . THR 13 13 5788 1 . ASP 14 14 5788 1 . PHE 15 15 5788 1 . ILE 16 16 5788 1 . ASP 17 17 5788 1 . GLU 18 18 5788 1 . GLU 19 19 5788 1 . VAL 20 20 5788 1 . LEU 21 21 5788 1 . MET 22 22 5788 1 . SER 23 23 5788 1 . LEU 24 24 5788 1 . VAL 25 25 5788 1 . ILE 26 26 5788 1 . GLU 27 27 5788 1 . MET 28 28 5788 1 . GLY 29 29 5788 1 . LEU 30 30 5788 1 . ASP 31 31 5788 1 . ARG 32 32 5788 1 . ILE 33 33 5788 1 . LYS 34 34 5788 1 . GLU 35 35 5788 1 . LEU 36 36 5788 1 . PRO 37 37 5788 1 . GLU 38 38 5788 1 . LEU 39 39 5788 1 . TRP 40 40 5788 1 . LEU 41 41 5788 1 . GLY 42 42 5788 1 . GLN 43 43 5788 1 . ASN 44 44 5788 1 . GLU 45 45 5788 1 . PHE 46 46 5788 1 . ASP 47 47 5788 1 . PHE 48 48 5788 1 . MET 49 49 5788 1 . THR 50 50 5788 1 . ASP 51 51 5788 1 . PHE 52 52 5788 1 stop_ save_ save_p300_CH1 _Entity.Sf_category entity _Entity.Sf_framecode p300_CH1 _Entity.Entry_ID 5788 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'p300 cysteine/histidine-rich 1 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSGAHTADPEKRKLIQQQL VLLLHAHKCQRREQANGEVR QCNLPHCRTMKNVLNHMTHC QSGKSCQVAHCASSRQIISH WKNCTRHDCPVCLPLKNAGD K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q09472 . 'Histone acetyltransferase p300 (E1A-associated protein p300)' . . . . . 100.00 2414 100.00 100.00 5.52e-49 . . . . 5788 2 . . REF XP_001168324 . 'PREDICTED: hypothetical protein isoform 1 [Pan troglodytes]' . . . . . 100.00 1393 100.00 100.00 1.60e-56 . . . . 5788 2 . . REF XP_001102844 . 'PREDICTED: E1A binding protein p300 [Macaca mulatta]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5788 2 . . REF XP_001076610 . 'PREDICTED: similar to E1A binding protein p300 [Rattus norvegicus]' . . . . . 100.00 2413 100.00 100.00 4.67e-49 . . . . 5788 2 . . REF NP_808489 . 'E1A binding protein p300 [Mus musculus]' . . . . . 100.00 2412 100.00 100.00 4.79e-49 . . . . 5788 2 . . REF NP_001420 . 'E1A binding protein p300 [Homo sapiens]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5788 2 . . GenBank EAW60408 . 'E1A binding protein p300 [Homo sapiens]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5788 2 . . GenBank AAI50682 . 'Ep300 protein [Mus musculus]' . . . . . 100.00 2415 100.00 100.00 4.60e-49 . . . . 5788 2 . . GenBank AAH53889 . 'EP300 protein [Homo sapiens]' . . . . . 100.00 1553 100.00 100.00 2.24e-56 . . . . 5788 2 . . GenBank AAB31182 . 'p300=transcription coactivator {N-terminal} [mice, Peptide Partial, 688 aa]' . . . . . 100.00 688 98.02 99.01 1.18e-55 . . . . 5788 2 . . GenBank AAA18639 . 'p300 protein' . . . . . 100.00 2414 100.00 100.00 5.52e-49 . . . . 5788 2 . . EMBL CAH73688 . 'E1A binding protein p300 [Homo sapiens]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5788 2 . . EMBL CAH70384 . 'E1A binding protein p300 [Homo sapiens]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5788 2 . . EMBL CAG04516 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 90.10 2539 98.90 100.00 4.88e-42 . . . . 5788 2 . . EMBL CAF95299 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 94.06 2730 98.95 100.00 8.82e-45 . . . . 5788 2 . . EMBL CAF93378 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 94.06 492 98.95 100.00 1.31e-52 . . . . 5788 2 . . DBJ BAG10860 . 'E1A binding protein p300 [synthetic construct]' . . . . . 100.00 2414 100.00 100.00 5.61e-49 . . . . 5788 2 . . DBJ BAC31311 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 714 100.00 100.00 8.22e-57 . . . . 5788 2 . . PDB 1P4Q . 'Solution Structure Of The Cited2 Transactivation Domain In Complex With The P300 Ch1 Domain' . . . . . 100.00 101 100.00 100.00 2.88e-52 . . . . 5788 2 . . PDB 1L3E . 'Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX' . . . . . 100.00 101 100.00 100.00 2.88e-52 . . . . 5788 2 . . BMRB 5306 . 'p300 cysteine/histidine-rich 1 domain' . . . . . 100.00 101 100.00 100.00 2.88e-52 . . . . 5788 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'p300 cysteine/histidine-rich 1 domain' common 5788 2 'p300 CH1' abbreviation 5788 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 . MET . 5788 2 2 . GLY . 5788 2 3 . SER . 5788 2 4 . GLY . 5788 2 5 . ALA . 5788 2 6 . HIS . 5788 2 7 . THR . 5788 2 8 . ALA . 5788 2 9 . ASP . 5788 2 10 . PRO . 5788 2 11 . GLU . 5788 2 12 . LYS . 5788 2 13 . ARG . 5788 2 14 . LYS . 5788 2 15 . LEU . 5788 2 16 . ILE . 5788 2 17 . GLN . 5788 2 18 . GLN . 5788 2 19 . GLN . 5788 2 20 . LEU . 5788 2 21 . VAL . 5788 2 22 . LEU . 5788 2 23 . LEU . 5788 2 24 . LEU . 5788 2 25 . HIS . 5788 2 26 . ALA . 5788 2 27 . HIS . 5788 2 28 . LYS . 5788 2 29 . CYS . 5788 2 30 . GLN . 5788 2 31 . ARG . 5788 2 32 . ARG . 5788 2 33 . GLU . 5788 2 34 . GLN . 5788 2 35 . ALA . 5788 2 36 . ASN . 5788 2 37 . GLY . 5788 2 38 . GLU . 5788 2 39 . VAL . 5788 2 40 . ARG . 5788 2 41 . GLN . 5788 2 42 . CYS . 5788 2 43 . ASN . 5788 2 44 . LEU . 5788 2 45 . PRO . 5788 2 46 . HIS . 5788 2 47 . CYS . 5788 2 48 . ARG . 5788 2 49 . THR . 5788 2 50 . MET . 5788 2 51 . LYS . 5788 2 52 . ASN . 5788 2 53 . VAL . 5788 2 54 . LEU . 5788 2 55 . ASN . 5788 2 56 . HIS . 5788 2 57 . MET . 5788 2 58 . THR . 5788 2 59 . HIS . 5788 2 60 . CYS . 5788 2 61 . GLN . 5788 2 62 . SER . 5788 2 63 . GLY . 5788 2 64 . LYS . 5788 2 65 . SER . 5788 2 66 . CYS . 5788 2 67 . GLN . 5788 2 68 . VAL . 5788 2 69 . ALA . 5788 2 70 . HIS . 5788 2 71 . CYS . 5788 2 72 . ALA . 5788 2 73 . SER . 5788 2 74 . SER . 5788 2 75 . ARG . 5788 2 76 . GLN . 5788 2 77 . ILE . 5788 2 78 . ILE . 5788 2 79 . SER . 5788 2 80 . HIS . 5788 2 81 . TRP . 5788 2 82 . LYS . 5788 2 83 . ASN . 5788 2 84 . CYS . 5788 2 85 . THR . 5788 2 86 . ARG . 5788 2 87 . HIS . 5788 2 88 . ASP . 5788 2 89 . CYS . 5788 2 90 . PRO . 5788 2 91 . VAL . 5788 2 92 . CYS . 5788 2 93 . LEU . 5788 2 94 . PRO . 5788 2 95 . LEU . 5788 2 96 . LYS . 5788 2 97 . ASN . 5788 2 98 . ALA . 5788 2 99 . GLY . 5788 2 100 . ASP . 5788 2 101 . LYS . 5788 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 . MET 1 1 5788 2 . GLY 2 2 5788 2 . SER 3 3 5788 2 . GLY 4 4 5788 2 . ALA 5 5 5788 2 . HIS 6 6 5788 2 . THR 7 7 5788 2 . ALA 8 8 5788 2 . ASP 9 9 5788 2 . PRO 10 10 5788 2 . GLU 11 11 5788 2 . LYS 12 12 5788 2 . ARG 13 13 5788 2 . LYS 14 14 5788 2 . LEU 15 15 5788 2 . ILE 16 16 5788 2 . GLN 17 17 5788 2 . GLN 18 18 5788 2 . GLN 19 19 5788 2 . LEU 20 20 5788 2 . VAL 21 21 5788 2 . LEU 22 22 5788 2 . LEU 23 23 5788 2 . LEU 24 24 5788 2 . HIS 25 25 5788 2 . ALA 26 26 5788 2 . HIS 27 27 5788 2 . LYS 28 28 5788 2 . CYS 29 29 5788 2 . GLN 30 30 5788 2 . ARG 31 31 5788 2 . ARG 32 32 5788 2 . GLU 33 33 5788 2 . GLN 34 34 5788 2 . ALA 35 35 5788 2 . ASN 36 36 5788 2 . GLY 37 37 5788 2 . GLU 38 38 5788 2 . VAL 39 39 5788 2 . ARG 40 40 5788 2 . GLN 41 41 5788 2 . CYS 42 42 5788 2 . ASN 43 43 5788 2 . LEU 44 44 5788 2 . PRO 45 45 5788 2 . HIS 46 46 5788 2 . CYS 47 47 5788 2 . ARG 48 48 5788 2 . THR 49 49 5788 2 . MET 50 50 5788 2 . LYS 51 51 5788 2 . ASN 52 52 5788 2 . VAL 53 53 5788 2 . LEU 54 54 5788 2 . ASN 55 55 5788 2 . HIS 56 56 5788 2 . MET 57 57 5788 2 . THR 58 58 5788 2 . HIS 59 59 5788 2 . CYS 60 60 5788 2 . GLN 61 61 5788 2 . SER 62 62 5788 2 . GLY 63 63 5788 2 . LYS 64 64 5788 2 . SER 65 65 5788 2 . CYS 66 66 5788 2 . GLN 67 67 5788 2 . VAL 68 68 5788 2 . ALA 69 69 5788 2 . HIS 70 70 5788 2 . CYS 71 71 5788 2 . ALA 72 72 5788 2 . SER 73 73 5788 2 . SER 74 74 5788 2 . ARG 75 75 5788 2 . GLN 76 76 5788 2 . ILE 77 77 5788 2 . ILE 78 78 5788 2 . SER 79 79 5788 2 . HIS 80 80 5788 2 . TRP 81 81 5788 2 . LYS 82 82 5788 2 . ASN 83 83 5788 2 . CYS 84 84 5788 2 . THR 85 85 5788 2 . ARG 86 86 5788 2 . HIS 87 87 5788 2 . ASP 88 88 5788 2 . CYS 89 89 5788 2 . PRO 90 90 5788 2 . VAL 91 91 5788 2 . CYS 92 92 5788 2 . LEU 93 93 5788 2 . PRO 94 94 5788 2 . LEU 95 95 5788 2 . LYS 96 96 5788 2 . ASN 97 97 5788 2 . ALA 98 98 5788 2 . GLY 99 99 5788 2 . ASP 100 100 5788 2 . LYS 101 101 5788 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 5788 _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 $CITED2_TAD . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5788 1 2 2 $p300_CH1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5788 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 5788 _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 $CITED2_TAD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 2 2 $p300_CH1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5788 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CITED2 transactivation domain' '[U-15N; U-13C]' . . 1 $CITED2_TAD . . 1.0 . . mM . . . . 5788 1 2 p300_CH1 '[U-15N; U-13C]' . . . . . . 1.0 . . mM . . . . 5788 1 3 deut-MES . . . . . . . 10 . . mM . . . . 5788 1 4 NaCl . . . . . . . 100 . . mM . . . . 5788 1 5 ZnSO4 . . . . . . . 0.1 . . mM . . . . 5788 1 6 deut-DTT . . . . . . . 1 . . mM . . . . 5788 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5788 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CITED2 transactivation domain' [U-15N] . . 1 $CITED2_TAD . . 1.0 . . mM . . . . 5788 2 2 'p300 cysteine/histidine-rich 1 domain' [U-15N] . . 2 $p300_CH1 . . 1.0 . . mM . . . . 5788 2 3 deut-MES . . . . . . . 10 . . mM . . . . 5788 2 4 NaCl . . . . . . . 100 . . mM . . . . 5788 2 5 ZnSO4 . . . . . . . 0.1 . . mM . . . . 5788 2 6 deut-DTT . . . . . . . 1 . . mM . . . . 5788 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5788 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CITED2 transactivation domain' . . . 1 $CITED2_TAD . . 1.0 . . mM . . . . 5788 3 2 'p300 cysteine/histidine-rich 1 domain' . . . 2 $p300_CH1 . . 1.0 . . mM . . . . 5788 3 3 deut-MES . . . . . . . 10 . . mM . . . . 5788 3 4 NaCl . . . . . . . 100 . . mM . . . . 5788 3 5 ZnSO4 . . . . . . . 0.1 . . mM . . . . 5788 3 6 deut-DTT . . . . . . . 1 . . mM . . . . 5788 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5788 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5788 1 temperature 298 1 K 5788 1 stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 5788 _Software.ID 1 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR processing' 5788 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5788 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak analysis' 5788 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5788 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5788 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5788 _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 NMR_spectrometer_1 Varian UnityInova . 500 . . . 5788 1 2 NMR_spectrometer_2 Varian UnityInova . 750 . . . 5788 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 5788 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 4 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 5 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 6 1H-15N-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 7 1H-13C-HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 8 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 9 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 10 '1H-1H 2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5788 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 1H-15N-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 1H-13C-HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5788 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '1H-1H 2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5788 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5788 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5788 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5788 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5788 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5788 1 . . 2 $sample_2 . 5788 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 5 5 GLY C C 13 174.120 0.000 . 1 . . . . . . . . 5788 1 2 . 1 1 5 5 GLY CA C 13 45.300 0.000 . 1 . . . . . . . . 5788 1 3 . 1 1 6 6 SER H H 1 8.480 0.000 . 1 . . . . . . . . 5788 1 4 . 1 1 6 6 SER HA H 1 4.490 0.000 . 1 . . . . . . . . 5788 1 5 . 1 1 6 6 SER HB2 H 1 3.880 0.000 . 1 . . . . . . . . 5788 1 6 . 1 1 6 6 SER C C 13 175.000 0.000 . 1 . . . . . . . . 5788 1 7 . 1 1 6 6 SER CA C 13 57.968 0.000 . 1 . . . . . . . . 5788 1 8 . 1 1 6 6 SER CB C 13 63.568 0.000 . 1 . . . . . . . . 5788 1 9 . 1 1 6 6 SER N N 15 115.610 0.000 . 1 . . . . . . . . 5788 1 10 . 1 1 7 7 GLY H H 1 8.530 0.000 . 1 . . . . . . . . 5788 1 11 . 1 1 7 7 GLY C C 13 174.310 0.000 . 1 . . . . . . . . 5788 1 12 . 1 1 7 7 GLY CA C 13 45.300 0.000 . 1 . . . . . . . . 5788 1 13 . 1 1 7 7 GLY N N 15 110.860 0.000 . 1 . . . . . . . . 5788 1 14 . 1 1 8 8 SER H H 1 8.260 0.000 . 1 . . . . . . . . 5788 1 15 . 1 1 8 8 SER HA H 1 4.480 0.000 . 1 . . . . . . . . 5788 1 16 . 1 1 8 8 SER HB2 H 1 3.880 0.000 . 1 . . . . . . . . 5788 1 17 . 1 1 8 8 SER C C 13 174.280 0.000 . 1 . . . . . . . . 5788 1 18 . 1 1 8 8 SER CA C 13 58.348 0.000 . 1 . . . . . . . . 5788 1 19 . 1 1 8 8 SER CB C 13 63.568 0.000 . 1 . . . . . . . . 5788 1 20 . 1 1 8 8 SER N N 15 115.400 0.000 . 1 . . . . . . . . 5788 1 21 . 1 1 9 9 ASN H H 1 8.510 0.000 . 1 . . . . . . . . 5788 1 22 . 1 1 9 9 ASN HA H 1 4.770 0.000 . 1 . . . . . . . . 5788 1 23 . 1 1 9 9 ASN HB2 H 1 2.770 0.000 . 1 . . . . . . . . 5788 1 24 . 1 1 9 9 ASN C C 13 174.980 0.000 . 1 . . . . . . . . 5788 1 25 . 1 1 9 9 ASN CA C 13 52.758 0.000 . 1 . . . . . . . . 5788 1 26 . 1 1 9 9 ASN CB C 13 38.960 0.000 . 1 . . . . . . . . 5788 1 27 . 1 1 9 9 ASN N N 15 120.370 0.000 . 1 . . . . . . . . 5788 1 28 . 1 1 10 10 VAL H H 1 8.030 0.000 . 1 . . . . . . . . 5788 1 29 . 1 1 10 10 VAL HA H 1 4.010 0.000 . 1 . . . . . . . . 5788 1 30 . 1 1 10 10 VAL HB H 1 2.040 0.000 . 1 . . . . . . . . 5788 1 31 . 1 1 10 10 VAL HG11 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 32 . 1 1 10 10 VAL HG12 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 33 . 1 1 10 10 VAL HG13 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 34 . 1 1 10 10 VAL HG21 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 35 . 1 1 10 10 VAL HG22 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 36 . 1 1 10 10 VAL HG23 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 37 . 1 1 10 10 VAL C C 13 177.000 0.000 . 1 . . . . . . . . 5788 1 38 . 1 1 10 10 VAL CA C 13 62.818 0.000 . 1 . . . . . . . . 5788 1 39 . 1 1 10 10 VAL CB C 13 32.620 0.000 . 1 . . . . . . . . 5788 1 40 . 1 1 10 10 VAL CG1 C 13 21.060 0.000 . 1 . . . . . . . . 5788 1 41 . 1 1 10 10 VAL CG2 C 13 20.690 0.000 . 1 . . . . . . . . 5788 1 42 . 1 1 10 10 VAL N N 15 119.720 0.000 . 1 . . . . . . . . 5788 1 43 . 1 1 11 11 ILE H H 1 7.810 0.000 . 1 . . . . . . . . 5788 1 44 . 1 1 11 11 ILE HA H 1 4.150 0.000 . 1 . . . . . . . . 5788 1 45 . 1 1 11 11 ILE HB H 1 1.340 0.000 . 1 . . . . . . . . 5788 1 46 . 1 1 11 11 ILE HG12 H 1 1.280 0.000 . 2 . . . . . . . . 5788 1 47 . 1 1 11 11 ILE HG13 H 1 0.810 0.000 . 2 . . . . . . . . 5788 1 48 . 1 1 11 11 ILE HG21 H 1 0.560 0.000 . 1 . . . . . . . . 5788 1 49 . 1 1 11 11 ILE HG22 H 1 0.560 0.000 . 1 . . . . . . . . 5788 1 50 . 1 1 11 11 ILE HG23 H 1 0.560 0.000 . 1 . . . . . . . . 5788 1 51 . 1 1 11 11 ILE HD11 H 1 0.600 0.000 . 1 . . . . . . . . 5788 1 52 . 1 1 11 11 ILE HD12 H 1 0.600 0.000 . 1 . . . . . . . . 5788 1 53 . 1 1 11 11 ILE HD13 H 1 0.600 0.000 . 1 . . . . . . . . 5788 1 54 . 1 1 11 11 ILE C C 13 173.660 0.000 . 1 . . . . . . . . 5788 1 55 . 1 1 11 11 ILE CA C 13 60.208 0.000 . 1 . . . . . . . . 5788 1 56 . 1 1 11 11 ILE CB C 13 40.080 0.000 . 1 . . . . . . . . 5788 1 57 . 1 1 11 11 ILE CG1 C 13 27.400 0.000 . 1 . . . . . . . . 5788 1 58 . 1 1 11 11 ILE CG2 C 13 17.330 0.000 . 1 . . . . . . . . 5788 1 59 . 1 1 11 11 ILE CD1 C 13 13.600 0.000 . 1 . . . . . . . . 5788 1 60 . 1 1 11 11 ILE N N 15 120.800 0.000 . 1 . . . . . . . . 5788 1 61 . 1 1 12 12 ASP H H 1 8.380 0.000 . 1 . . . . . . . . 5788 1 62 . 1 1 12 12 ASP HA H 1 4.870 0.000 . 1 . . . . . . . . 5788 1 63 . 1 1 12 12 ASP HB2 H 1 2.880 0.000 . 2 . . . . . . . . 5788 1 64 . 1 1 12 12 ASP HB3 H 1 2.660 0.000 . 2 . . . . . . . . 5788 1 65 . 1 1 12 12 ASP C C 13 176.530 0.000 . 1 . . . . . . . . 5788 1 66 . 1 1 12 12 ASP CA C 13 53.128 0.000 . 1 . . . . . . . . 5788 1 67 . 1 1 12 12 ASP CB C 13 41.940 0.000 . 1 . . . . . . . . 5788 1 68 . 1 1 12 12 ASP N N 15 124.040 0.000 . 1 . . . . . . . . 5788 1 69 . 1 1 13 13 THR H H 1 8.330 0.000 . 1 . . . . . . . . 5788 1 70 . 1 1 13 13 THR HA H 1 4.410 0.000 . 1 . . . . . . . . 5788 1 71 . 1 1 13 13 THR HB H 1 4.390 0.000 . 1 . . . . . . . . 5788 1 72 . 1 1 13 13 THR HG21 H 1 1.160 0.000 . 1 . . . . . . . . 5788 1 73 . 1 1 13 13 THR HG22 H 1 1.160 0.000 . 1 . . . . . . . . 5788 1 74 . 1 1 13 13 THR HG23 H 1 1.160 0.000 . 1 . . . . . . . . 5788 1 75 . 1 1 13 13 THR C C 13 175.680 0.000 . 1 . . . . . . . . 5788 1 76 . 1 1 13 13 THR CA C 13 60.958 0.000 . 1 . . . . . . . . 5788 1 77 . 1 1 13 13 THR CB C 13 69.158 0.000 . 1 . . . . . . . . 5788 1 78 . 1 1 13 13 THR CG2 C 13 21.800 0.000 . 1 . . . . . . . . 5788 1 79 . 1 1 13 13 THR N N 15 112.380 0.000 . 1 . . . . . . . . 5788 1 80 . 1 1 14 14 ASP H H 1 8.690 0.000 . 1 . . . . . . . . 5788 1 81 . 1 1 14 14 ASP HA H 1 4.430 0.000 . 1 . . . . . . . . 5788 1 82 . 1 1 14 14 ASP HB2 H 1 2.780 0.000 . 2 . . . . . . . . 5788 1 83 . 1 1 14 14 ASP HB3 H 1 2.620 0.000 . 2 . . . . . . . . 5788 1 84 . 1 1 14 14 ASP C C 13 176.380 0.000 . 1 . . . . . . . . 5788 1 85 . 1 1 14 14 ASP CA C 13 56.108 0.000 . 1 . . . . . . . . 5788 1 86 . 1 1 14 14 ASP CB C 13 40.080 0.000 . 1 . . . . . . . . 5788 1 87 . 1 1 14 14 ASP N N 15 123.820 0.000 . 1 . . . . . . . . 5788 1 88 . 1 1 15 15 PHE H H 1 7.970 0.000 . 1 . . . . . . . . 5788 1 89 . 1 1 15 15 PHE HA H 1 4.630 0.000 . 1 . . . . . . . . 5788 1 90 . 1 1 15 15 PHE HB2 H 1 3.230 0.000 . 1 . . . . . . . . 5788 1 91 . 1 1 15 15 PHE HD1 H 1 7.290 0.000 . 1 . . . . . . . . 5788 1 92 . 1 1 15 15 PHE HE1 H 1 7.450 0.000 . 1 . . . . . . . . 5788 1 93 . 1 1 15 15 PHE HZ H 1 7.050 0.000 . 1 . . . . . . . . 5788 1 94 . 1 1 15 15 PHE C C 13 174.750 0.000 . 1 . . . . . . . . 5788 1 95 . 1 1 15 15 PHE CA C 13 57.228 0.000 . 1 . . . . . . . . 5788 1 96 . 1 1 15 15 PHE CB C 13 38.580 0.000 . 1 . . . . . . . . 5788 1 97 . 1 1 15 15 PHE N N 15 116.050 0.000 . 1 . . . . . . . . 5788 1 98 . 1 1 16 16 ILE H H 1 7.330 0.000 . 1 . . . . . . . . 5788 1 99 . 1 1 16 16 ILE HA H 1 4.210 0.000 . 1 . . . . . . . . 5788 1 100 . 1 1 16 16 ILE HB H 1 1.580 0.000 . 1 . . . . . . . . 5788 1 101 . 1 1 16 16 ILE HG12 H 1 1.320 0.000 . 2 . . . . . . . . 5788 1 102 . 1 1 16 16 ILE HG13 H 1 1.090 0.000 . 2 . . . . . . . . 5788 1 103 . 1 1 16 16 ILE HG21 H 1 0.780 0.000 . 1 . . . . . . . . 5788 1 104 . 1 1 16 16 ILE HG22 H 1 0.780 0.000 . 1 . . . . . . . . 5788 1 105 . 1 1 16 16 ILE HG23 H 1 0.780 0.000 . 1 . . . . . . . . 5788 1 106 . 1 1 16 16 ILE HD11 H 1 0.890 0.000 . 1 . . . . . . . . 5788 1 107 . 1 1 16 16 ILE HD12 H 1 0.890 0.000 . 1 . . . . . . . . 5788 1 108 . 1 1 16 16 ILE HD13 H 1 0.890 0.000 . 1 . . . . . . . . 5788 1 109 . 1 1 16 16 ILE C C 13 174.440 0.000 . 1 . . . . . . . . 5788 1 110 . 1 1 16 16 ILE CA C 13 59.468 0.000 . 1 . . . . . . . . 5788 1 111 . 1 1 16 16 ILE CB C 13 39.330 0.000 . 1 . . . . . . . . 5788 1 112 . 1 1 16 16 ILE CG1 C 13 27.770 0.000 . 1 . . . . . . . . 5788 1 113 . 1 1 16 16 ILE CG2 C 13 16.960 0.000 . 1 . . . . . . . . 5788 1 114 . 1 1 16 16 ILE CD1 C 13 13.970 0.000 . 1 . . . . . . . . 5788 1 115 . 1 1 16 16 ILE N N 15 121.450 0.000 . 1 . . . . . . . . 5788 1 116 . 1 1 17 17 ASP H H 1 8.660 0.000 . 1 . . . . . . . . 5788 1 117 . 1 1 17 17 ASP HA H 1 4.580 0.000 . 1 . . . . . . . . 5788 1 118 . 1 1 17 17 ASP HB2 H 1 2.830 0.000 . 2 . . . . . . . . 5788 1 119 . 1 1 17 17 ASP HB3 H 1 2.740 0.000 . 2 . . . . . . . . 5788 1 120 . 1 1 17 17 ASP C C 13 177.000 0.000 . 1 . . . . . . . . 5788 1 121 . 1 1 17 17 ASP CA C 13 53.868 0.000 . 1 . . . . . . . . 5788 1 122 . 1 1 17 17 ASP CB C 13 42.310 0.000 . 1 . . . . . . . . 5788 1 123 . 1 1 17 17 ASP N N 15 127.710 0.000 . 1 . . . . . . . . 5788 1 124 . 1 1 18 18 GLU H H 1 9.070 0.000 . 1 . . . . . . . . 5788 1 125 . 1 1 18 18 GLU HA H 1 3.860 0.000 . 1 . . . . . . . . 5788 1 126 . 1 1 18 18 GLU HB2 H 1 2.120 0.000 . 1 . . . . . . . . 5788 1 127 . 1 1 18 18 GLU HG2 H 1 2.330 0.000 . 1 . . . . . . . . 5788 1 128 . 1 1 18 18 GLU C C 13 178.240 0.000 . 1 . . . . . . . . 5788 1 129 . 1 1 18 18 GLU CA C 13 59.468 0.000 . 1 . . . . . . . . 5788 1 130 . 1 1 18 18 GLU CB C 13 30.010 0.000 . 1 . . . . . . . . 5788 1 131 . 1 1 18 18 GLU CG C 13 36.350 0.000 . 1 . . . . . . . . 5788 1 132 . 1 1 18 18 GLU N N 15 125.550 0.000 . 1 . . . . . . . . 5788 1 133 . 1 1 19 19 GLU H H 1 8.760 0.000 . 1 . . . . . . . . 5788 1 134 . 1 1 19 19 GLU HA H 1 4.160 0.000 . 1 . . . . . . . . 5788 1 135 . 1 1 19 19 GLU HB2 H 1 2.120 0.000 . 1 . . . . . . . . 5788 1 136 . 1 1 19 19 GLU HG2 H 1 2.410 0.000 . 2 . . . . . . . . 5788 1 137 . 1 1 19 19 GLU HG3 H 1 2.330 0.000 . 2 . . . . . . . . 5788 1 138 . 1 1 19 19 GLU C C 13 179.790 0.000 . 1 . . . . . . . . 5788 1 139 . 1 1 19 19 GLU CA C 13 59.088 0.000 . 1 . . . . . . . . 5788 1 140 . 1 1 19 19 GLU CB C 13 28.890 0.000 . 1 . . . . . . . . 5788 1 141 . 1 1 19 19 GLU CG C 13 36.350 0.000 . 1 . . . . . . . . 5788 1 142 . 1 1 19 19 GLU N N 15 119.720 0.000 . 1 . . . . . . . . 5788 1 143 . 1 1 20 20 VAL H H 1 7.770 0.000 . 1 . . . . . . . . 5788 1 144 . 1 1 20 20 VAL HA H 1 3.750 0.000 . 1 . . . . . . . . 5788 1 145 . 1 1 20 20 VAL HB H 1 2.240 0.000 . 1 . . . . . . . . 5788 1 146 . 1 1 20 20 VAL HG11 H 1 1.000 0.000 . 2 . . . . . . . . 5788 1 147 . 1 1 20 20 VAL HG12 H 1 1.000 0.000 . 2 . . . . . . . . 5788 1 148 . 1 1 20 20 VAL HG13 H 1 1.000 0.000 . 2 . . . . . . . . 5788 1 149 . 1 1 20 20 VAL HG21 H 1 1.140 0.000 . 2 . . . . . . . . 5788 1 150 . 1 1 20 20 VAL HG22 H 1 1.140 0.000 . 2 . . . . . . . . 5788 1 151 . 1 1 20 20 VAL HG23 H 1 1.140 0.000 . 2 . . . . . . . . 5788 1 152 . 1 1 20 20 VAL C C 13 179.020 0.000 . 1 . . . . . . . . 5788 1 153 . 1 1 20 20 VAL CA C 13 65.808 0.000 . 1 . . . . . . . . 5788 1 154 . 1 1 20 20 VAL CB C 13 31.500 0.000 . 1 . . . . . . . . 5788 1 155 . 1 1 20 20 VAL CG1 C 13 21.060 0.000 . 1 . . . . . . . . 5788 1 156 . 1 1 20 20 VAL CG2 C 13 22.550 0.000 . 1 . . . . . . . . 5788 1 157 . 1 1 20 20 VAL N N 15 122.310 0.000 . 1 . . . . . . . . 5788 1 158 . 1 1 21 21 LEU H H 1 7.940 0.000 . 1 . . . . . . . . 5788 1 159 . 1 1 21 21 LEU HA H 1 4.030 0.000 . 1 . . . . . . . . 5788 1 160 . 1 1 21 21 LEU HB2 H 1 1.700 0.000 . 1 . . . . . . . . 5788 1 161 . 1 1 21 21 LEU HG H 1 1.700 0.000 . 1 . . . . . . . . 5788 1 162 . 1 1 21 21 LEU HD11 H 1 0.890 0.000 . 2 . . . . . . . . 5788 1 163 . 1 1 21 21 LEU HD12 H 1 0.890 0.000 . 2 . . . . . . . . 5788 1 164 . 1 1 21 21 LEU HD13 H 1 0.890 0.000 . 2 . . . . . . . . 5788 1 165 . 1 1 21 21 LEU HD21 H 1 0.840 0.000 . 2 . . . . . . . . 5788 1 166 . 1 1 21 21 LEU HD22 H 1 0.840 0.000 . 2 . . . . . . . . 5788 1 167 . 1 1 21 21 LEU HD23 H 1 0.840 0.000 . 2 . . . . . . . . 5788 1 168 . 1 1 21 21 LEU C C 13 178.320 0.000 . 1 . . . . . . . . 5788 1 169 . 1 1 21 21 LEU CA C 13 57.968 0.000 . 1 . . . . . . . . 5788 1 170 . 1 1 21 21 LEU CB C 13 41.940 0.000 . 1 . . . . . . . . 5788 1 171 . 1 1 21 21 LEU CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 1 172 . 1 1 21 21 LEU CD1 C 13 24.410 0.000 . 1 . . . . . . . . 5788 1 173 . 1 1 21 21 LEU CD2 C 13 24.790 0.000 . 1 . . . . . . . . 5788 1 174 . 1 1 21 21 LEU N N 15 119.500 0.000 . 1 . . . . . . . . 5788 1 175 . 1 1 22 22 MET H H 1 8.270 0.000 . 1 . . . . . . . . 5788 1 176 . 1 1 22 22 MET HA H 1 4.290 0.000 . 1 . . . . . . . . 5788 1 177 . 1 1 22 22 MET HB2 H 1 2.230 0.000 . 1 . . . . . . . . 5788 1 178 . 1 1 22 22 MET HG2 H 1 2.750 0.000 . 1 . . . . . . . . 5788 1 179 . 1 1 22 22 MET HE1 H 1 2.110 0.000 . 1 . . . . . . . . 5788 1 180 . 1 1 22 22 MET HE2 H 1 2.110 0.000 . 1 . . . . . . . . 5788 1 181 . 1 1 22 22 MET HE3 H 1 2.110 0.000 . 1 . . . . . . . . 5788 1 182 . 1 1 22 22 MET C C 13 178.240 0.000 . 1 . . . . . . . . 5788 1 183 . 1 1 22 22 MET CA C 13 57.228 0.000 . 1 . . . . . . . . 5788 1 184 . 1 1 22 22 MET CB C 13 30.750 0.000 . 1 . . . . . . . . 5788 1 185 . 1 1 22 22 MET CG C 13 32.240 0.000 . 1 . . . . . . . . 5788 1 186 . 1 1 22 22 MET CE C 13 16.580 0.000 . 1 . . . . . . . . 5788 1 187 . 1 1 22 22 MET N N 15 116.690 0.000 . 1 . . . . . . . . 5788 1 188 . 1 1 23 23 SER H H 1 7.970 0.000 . 1 . . . . . . . . 5788 1 189 . 1 1 23 23 SER HA H 1 4.200 0.000 . 1 . . . . . . . . 5788 1 190 . 1 1 23 23 SER HB2 H 1 3.990 0.000 . 1 . . . . . . . . 5788 1 191 . 1 1 23 23 SER C C 13 177.070 0.000 . 1 . . . . . . . . 5788 1 192 . 1 1 23 23 SER CA C 13 61.698 0.000 . 1 . . . . . . . . 5788 1 193 . 1 1 23 23 SER CB C 13 61.698 0.000 . 1 . . . . . . . . 5788 1 194 . 1 1 23 23 SER N N 15 114.750 0.000 . 1 . . . . . . . . 5788 1 195 . 1 1 24 24 LEU H H 1 7.930 0.000 . 1 . . . . . . . . 5788 1 196 . 1 1 24 24 LEU HA H 1 4.220 0.000 . 1 . . . . . . . . 5788 1 197 . 1 1 24 24 LEU HB2 H 1 2.040 0.000 . 1 . . . . . . . . 5788 1 198 . 1 1 24 24 LEU HG H 1 1.590 0.000 . 1 . . . . . . . . 5788 1 199 . 1 1 24 24 LEU HD11 H 1 0.870 0.000 . 2 . . . . . . . . 5788 1 200 . 1 1 24 24 LEU HD12 H 1 0.870 0.000 . 2 . . . . . . . . 5788 1 201 . 1 1 24 24 LEU HD13 H 1 0.870 0.000 . 2 . . . . . . . . 5788 1 202 . 1 1 24 24 LEU HD21 H 1 0.860 0.000 . 2 . . . . . . . . 5788 1 203 . 1 1 24 24 LEU HD22 H 1 0.860 0.000 . 2 . . . . . . . . 5788 1 204 . 1 1 24 24 LEU HD23 H 1 0.860 0.000 . 2 . . . . . . . . 5788 1 205 . 1 1 24 24 LEU C C 13 178.320 0.000 . 1 . . . . . . . . 5788 1 206 . 1 1 24 24 LEU CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 1 207 . 1 1 24 24 LEU CB C 13 42.310 0.000 . 1 . . . . . . . . 5788 1 208 . 1 1 24 24 LEU CD1 C 13 25.530 0.000 . 1 . . . . . . . . 5788 1 209 . 1 1 24 24 LEU CD2 C 13 23.670 0.000 . 1 . . . . . . . . 5788 1 210 . 1 1 24 24 LEU N N 15 123.610 0.000 . 1 . . . . . . . . 5788 1 211 . 1 1 25 25 VAL H H 1 8.250 0.000 . 1 . . . . . . . . 5788 1 212 . 1 1 25 25 VAL HA H 1 3.430 0.000 . 1 . . . . . . . . 5788 1 213 . 1 1 25 25 VAL HB H 1 2.530 0.000 . 1 . . . . . . . . 5788 1 214 . 1 1 25 25 VAL HG11 H 1 0.790 0.000 . 2 . . . . . . . . 5788 1 215 . 1 1 25 25 VAL HG12 H 1 0.790 0.000 . 2 . . . . . . . . 5788 1 216 . 1 1 25 25 VAL HG13 H 1 0.790 0.000 . 2 . . . . . . . . 5788 1 217 . 1 1 25 25 VAL HG21 H 1 0.910 0.000 . 2 . . . . . . . . 5788 1 218 . 1 1 25 25 VAL HG22 H 1 0.910 0.000 . 2 . . . . . . . . 5788 1 219 . 1 1 25 25 VAL HG23 H 1 0.910 0.000 . 2 . . . . . . . . 5788 1 220 . 1 1 25 25 VAL C C 13 177.850 0.000 . 1 . . . . . . . . 5788 1 221 . 1 1 25 25 VAL CA C 13 66.548 0.000 . 1 . . . . . . . . 5788 1 222 . 1 1 25 25 VAL CB C 13 31.500 0.000 . 1 . . . . . . . . 5788 1 223 . 1 1 25 25 VAL CG1 C 13 22.180 0.000 . 1 . . . . . . . . 5788 1 224 . 1 1 25 25 VAL CG2 C 13 22.550 0.000 . 1 . . . . . . . . 5788 1 225 . 1 1 25 25 VAL N N 15 119.720 0.000 . 1 . . . . . . . . 5788 1 226 . 1 1 26 26 ILE H H 1 7.670 0.000 . 1 . . . . . . . . 5788 1 227 . 1 1 26 26 ILE HA H 1 3.810 0.000 . 1 . . . . . . . . 5788 1 228 . 1 1 26 26 ILE HB H 1 1.990 0.000 . 1 . . . . . . . . 5788 1 229 . 1 1 26 26 ILE HG12 H 1 1.630 0.000 . 2 . . . . . . . . 5788 1 230 . 1 1 26 26 ILE HG13 H 1 1.330 0.000 . 2 . . . . . . . . 5788 1 231 . 1 1 26 26 ILE HG21 H 1 0.950 0.000 . 1 . . . . . . . . 5788 1 232 . 1 1 26 26 ILE HG22 H 1 0.950 0.000 . 1 . . . . . . . . 5788 1 233 . 1 1 26 26 ILE HG23 H 1 0.950 0.000 . 1 . . . . . . . . 5788 1 234 . 1 1 26 26 ILE HD11 H 1 0.810 0.000 . 1 . . . . . . . . 5788 1 235 . 1 1 26 26 ILE HD12 H 1 0.810 0.000 . 1 . . . . . . . . 5788 1 236 . 1 1 26 26 ILE HD13 H 1 0.810 0.000 . 1 . . . . . . . . 5788 1 237 . 1 1 26 26 ILE C C 13 180.650 0.000 . 1 . . . . . . . . 5788 1 238 . 1 1 26 26 ILE CA C 13 63.198 0.000 . 1 . . . . . . . . 5788 1 239 . 1 1 26 26 ILE CB C 13 37.470 0.000 . 1 . . . . . . . . 5788 1 240 . 1 1 26 26 ILE CG1 C 13 28.520 0.000 . 1 . . . . . . . . 5788 1 241 . 1 1 26 26 ILE CG2 C 13 16.960 0.000 . 1 . . . . . . . . 5788 1 242 . 1 1 26 26 ILE CD1 C 13 11.360 0.000 . 1 . . . . . . . . 5788 1 243 . 1 1 26 26 ILE N N 15 117.990 0.000 . 1 . . . . . . . . 5788 1 244 . 1 1 27 27 GLU H H 1 8.680 0.000 . 1 . . . . . . . . 5788 1 245 . 1 1 27 27 GLU HA H 1 4.050 0.000 . 1 . . . . . . . . 5788 1 246 . 1 1 27 27 GLU HB2 H 1 2.170 0.000 . 1 . . . . . . . . 5788 1 247 . 1 1 27 27 GLU HG2 H 1 2.400 0.000 . 2 . . . . . . . . 5788 1 248 . 1 1 27 27 GLU HG3 H 1 2.310 0.000 . 2 . . . . . . . . 5788 1 249 . 1 1 27 27 GLU C C 13 178.940 0.000 . 1 . . . . . . . . 5788 1 250 . 1 1 27 27 GLU CA C 13 59.088 0.000 . 1 . . . . . . . . 5788 1 251 . 1 1 27 27 GLU CB C 13 30.010 0.000 . 1 . . . . . . . . 5788 1 252 . 1 1 27 27 GLU CG C 13 35.600 0.000 . 1 . . . . . . . . 5788 1 253 . 1 1 27 27 GLU N N 15 123.820 0.000 . 1 . . . . . . . . 5788 1 254 . 1 1 28 28 MET H H 1 8.470 0.000 . 1 . . . . . . . . 5788 1 255 . 1 1 28 28 MET HA H 1 4.350 0.000 . 1 . . . . . . . . 5788 1 256 . 1 1 28 28 MET HB2 H 1 2.220 0.000 . 2 . . . . . . . . 5788 1 257 . 1 1 28 28 MET HB3 H 1 2.040 0.000 . 2 . . . . . . . . 5788 1 258 . 1 1 28 28 MET HG2 H 1 2.870 0.000 . 2 . . . . . . . . 5788 1 259 . 1 1 28 28 MET HG3 H 1 2.620 0.000 . 2 . . . . . . . . 5788 1 260 . 1 1 28 28 MET HE1 H 1 2.050 0.000 . 1 . . . . . . . . 5788 1 261 . 1 1 28 28 MET HE2 H 1 2.050 0.000 . 1 . . . . . . . . 5788 1 262 . 1 1 28 28 MET HE3 H 1 2.050 0.000 . 1 . . . . . . . . 5788 1 263 . 1 1 28 28 MET C C 13 176.380 0.000 . 1 . . . . . . . . 5788 1 264 . 1 1 28 28 MET CA C 13 56.478 0.000 . 1 . . . . . . . . 5788 1 265 . 1 1 28 28 MET CG C 13 33.740 0.000 . 1 . . . . . . . . 5788 1 266 . 1 1 28 28 MET CE C 13 18.080 0.000 . 1 . . . . . . . . 5788 1 267 . 1 1 28 28 MET N N 15 114.100 0.000 . 1 . . . . . . . . 5788 1 268 . 1 1 29 29 GLY H H 1 7.970 0.000 . 1 . . . . . . . . 5788 1 269 . 1 1 29 29 GLY HA2 H 1 4.040 0.000 . 1 . . . . . . . . 5788 1 270 . 1 1 29 29 GLY HA3 H 1 3.960 0.000 . 1 . . . . . . . . 5788 1 271 . 1 1 29 29 GLY C C 13 177.070 0.000 . 1 . . . . . . . . 5788 1 272 . 1 1 29 29 GLY CA C 13 46.410 0.000 . 1 . . . . . . . . 5788 1 273 . 1 1 29 29 GLY N N 15 107.410 0.000 . 1 . . . . . . . . 5788 1 274 . 1 1 30 30 LEU H H 1 8.320 0.000 . 1 . . . . . . . . 5788 1 275 . 1 1 30 30 LEU HA H 1 4.130 0.000 . 1 . . . . . . . . 5788 1 276 . 1 1 30 30 LEU HB2 H 1 1.910 0.000 . 2 . . . . . . . . 5788 1 277 . 1 1 30 30 LEU HB3 H 1 1.580 0.000 . 2 . . . . . . . . 5788 1 278 . 1 1 30 30 LEU HG H 1 1.720 0.000 . 1 . . . . . . . . 5788 1 279 . 1 1 30 30 LEU HD11 H 1 1.000 0.000 . 2 . . . . . . . . 5788 1 280 . 1 1 30 30 LEU HD12 H 1 1.000 0.000 . 2 . . . . . . . . 5788 1 281 . 1 1 30 30 LEU HD13 H 1 1.000 0.000 . 2 . . . . . . . . 5788 1 282 . 1 1 30 30 LEU HD21 H 1 0.870 0.000 . 2 . . . . . . . . 5788 1 283 . 1 1 30 30 LEU HD22 H 1 0.870 0.000 . 2 . . . . . . . . 5788 1 284 . 1 1 30 30 LEU HD23 H 1 0.870 0.000 . 2 . . . . . . . . 5788 1 285 . 1 1 30 30 LEU C C 13 176.210 0.000 . 1 . . . . . . . . 5788 1 286 . 1 1 30 30 LEU CA C 13 56.478 0.000 . 1 . . . . . . . . 5788 1 287 . 1 1 30 30 LEU CB C 13 41.570 0.000 . 1 . . . . . . . . 5788 1 288 . 1 1 30 30 LEU CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 1 289 . 1 1 30 30 LEU CD1 C 13 25.910 0.000 . 1 . . . . . . . . 5788 1 290 . 1 1 30 30 LEU CD2 C 13 22.920 0.000 . 1 . . . . . . . . 5788 1 291 . 1 1 30 30 LEU N N 15 118.850 0.000 . 1 . . . . . . . . 5788 1 292 . 1 1 31 31 ASP H H 1 9.310 0.000 . 1 . . . . . . . . 5788 1 293 . 1 1 31 31 ASP HA H 1 4.240 0.000 . 1 . . . . . . . . 5788 1 294 . 1 1 31 31 ASP HB2 H 1 2.700 0.000 . 2 . . . . . . . . 5788 1 295 . 1 1 31 31 ASP HB3 H 1 2.300 0.000 . 2 . . . . . . . . 5788 1 296 . 1 1 31 31 ASP C C 13 176.070 0.000 . 1 . . . . . . . . 5788 1 297 . 1 1 31 31 ASP CA C 13 54.248 0.000 . 1 . . . . . . . . 5788 1 298 . 1 1 31 31 ASP CB C 13 38.960 0.000 . 1 . . . . . . . . 5788 1 299 . 1 1 31 31 ASP N N 15 114.320 0.000 . 1 . . . . . . . . 5788 1 300 . 1 1 32 32 ARG H H 1 7.460 0.000 . 1 . . . . . . . . 5788 1 301 . 1 1 32 32 ARG HA H 1 4.460 0.000 . 1 . . . . . . . . 5788 1 302 . 1 1 32 32 ARG HB2 H 1 2.030 0.000 . 1 . . . . . . . . 5788 1 303 . 1 1 32 32 ARG HG2 H 1 1.580 0.000 . 1 . . . . . . . . 5788 1 304 . 1 1 32 32 ARG HD2 H 1 3.180 0.000 . 1 . . . . . . . . 5788 1 305 . 1 1 32 32 ARG C C 13 176.070 0.000 . 1 . . . . . . . . 5788 1 306 . 1 1 32 32 ARG CA C 13 54.988 0.000 . 1 . . . . . . . . 5788 1 307 . 1 1 32 32 ARG CB C 13 32.240 0.000 . 1 . . . . . . . . 5788 1 308 . 1 1 32 32 ARG CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 1 309 . 1 1 32 32 ARG CD C 13 43.430 0.000 . 1 . . . . . . . . 5788 1 310 . 1 1 32 32 ARG N N 15 117.340 0.000 . 1 . . . . . . . . 5788 1 311 . 1 1 33 33 ILE H H 1 7.220 0.000 . 1 . . . . . . . . 5788 1 312 . 1 1 33 33 ILE HA H 1 4.100 0.000 . 1 . . . . . . . . 5788 1 313 . 1 1 33 33 ILE HB H 1 1.870 0.000 . 1 . . . . . . . . 5788 1 314 . 1 1 33 33 ILE HG12 H 1 1.630 0.000 . 2 . . . . . . . . 5788 1 315 . 1 1 33 33 ILE HG13 H 1 1.200 0.000 . 2 . . . . . . . . 5788 1 316 . 1 1 33 33 ILE HG21 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 317 . 1 1 33 33 ILE HG22 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 318 . 1 1 33 33 ILE HG23 H 1 0.920 0.000 . 1 . . . . . . . . 5788 1 319 . 1 1 33 33 ILE HD11 H 1 0.840 0.000 . 1 . . . . . . . . 5788 1 320 . 1 1 33 33 ILE HD12 H 1 0.840 0.000 . 1 . . . . . . . . 5788 1 321 . 1 1 33 33 ILE HD13 H 1 0.840 0.000 . 1 . . . . . . . . 5788 1 322 . 1 1 33 33 ILE CA C 13 61.698 0.000 . 1 . . . . . . . . 5788 1 323 . 1 1 33 33 ILE CB C 13 38.580 0.000 . 1 . . . . . . . . 5788 1 324 . 1 1 33 33 ILE CG1 C 13 27.020 0.000 . 1 . . . . . . . . 5788 1 325 . 1 1 33 33 ILE CG2 C 13 17.330 0.000 . 1 . . . . . . . . 5788 1 326 . 1 1 33 33 ILE CD1 C 13 13.230 0.000 . 1 . . . . . . . . 5788 1 327 . 1 1 33 33 ILE N N 15 119.290 0.000 . 1 . . . . . . . . 5788 1 328 . 1 1 34 34 LYS HB2 H 1 1.880 0.000 . 1 . . . . . . . . 5788 1 329 . 1 1 34 34 LYS C C 13 176.610 0.000 . 1 . . . . . . . . 5788 1 330 . 1 1 35 35 GLU H H 1 7.850 0.000 . 1 . . . . . . . . 5788 1 331 . 1 1 35 35 GLU HA H 1 4.490 0.000 . 1 . . . . . . . . 5788 1 332 . 1 1 35 35 GLU HB2 H 1 1.940 0.000 . 2 . . . . . . . . 5788 1 333 . 1 1 35 35 GLU HB3 H 1 1.870 0.000 . 2 . . . . . . . . 5788 1 334 . 1 1 35 35 GLU HG2 H 1 2.160 0.000 . 1 . . . . . . . . 5788 1 335 . 1 1 35 35 GLU C C 13 174.280 0.000 . 1 . . . . . . . . 5788 1 336 . 1 1 35 35 GLU CA C 13 54.618 0.000 . 1 . . . . . . . . 5788 1 337 . 1 1 35 35 GLU CB C 13 31.500 0.000 . 1 . . . . . . . . 5788 1 338 . 1 1 35 35 GLU CG C 13 35.600 0.000 . 1 . . . . . . . . 5788 1 339 . 1 1 35 35 GLU N N 15 118.420 0.000 . 1 . . . . . . . . 5788 1 340 . 1 1 36 36 LEU H H 1 8.480 0.000 . 1 . . . . . . . . 5788 1 341 . 1 1 36 36 LEU HA H 1 4.390 0.000 . 1 . . . . . . . . 5788 1 342 . 1 1 36 36 LEU HB2 H 1 1.350 0.000 . 2 . . . . . . . . 5788 1 343 . 1 1 36 36 LEU HB3 H 1 0.510 0.000 . 2 . . . . . . . . 5788 1 344 . 1 1 36 36 LEU HG H 1 1.060 0.000 . 1 . . . . . . . . 5788 1 345 . 1 1 36 36 LEU HD11 H 1 0.500 0.000 . 2 . . . . . . . . 5788 1 346 . 1 1 36 36 LEU HD12 H 1 0.500 0.000 . 2 . . . . . . . . 5788 1 347 . 1 1 36 36 LEU HD13 H 1 0.500 0.000 . 2 . . . . . . . . 5788 1 348 . 1 1 36 36 LEU HD21 H 1 0.270 0.000 . 2 . . . . . . . . 5788 1 349 . 1 1 36 36 LEU HD22 H 1 0.270 0.000 . 2 . . . . . . . . 5788 1 350 . 1 1 36 36 LEU HD23 H 1 0.270 0.000 . 2 . . . . . . . . 5788 1 351 . 1 1 36 36 LEU CA C 13 51.260 0.000 . 1 . . . . . . . . 5788 1 352 . 1 1 36 36 LEU CB C 13 41.570 0.000 . 1 . . . . . . . . 5788 1 353 . 1 1 36 36 LEU CG C 13 26.280 0.000 . 1 . . . . . . . . 5788 1 354 . 1 1 36 36 LEU CD1 C 13 24.040 0.000 . 1 . . . . . . . . 5788 1 355 . 1 1 36 36 LEU CD2 C 13 24.410 0.000 . 1 . . . . . . . . 5788 1 356 . 1 1 36 36 LEU N N 15 126.200 0.000 . 1 . . . . . . . . 5788 1 357 . 1 1 37 37 PRO HA H 1 4.360 0.000 . 1 . . . . . . . . 5788 1 358 . 1 1 37 37 PRO HB2 H 1 2.240 0.000 . 2 . . . . . . . . 5788 1 359 . 1 1 37 37 PRO HB3 H 1 1.720 0.000 . 2 . . . . . . . . 5788 1 360 . 1 1 37 37 PRO HG2 H 1 2.060 0.000 . 2 . . . . . . . . 5788 1 361 . 1 1 37 37 PRO HG3 H 1 2.020 0.000 . 2 . . . . . . . . 5788 1 362 . 1 1 37 37 PRO HD2 H 1 3.500 0.000 . 1 . . . . . . . . 5788 1 363 . 1 1 37 37 PRO C C 13 175.910 0.000 . 1 . . . . . . . . 5788 1 364 . 1 1 37 37 PRO CA C 13 62.448 0.000 . 1 . . . . . . . . 5788 1 365 . 1 1 37 37 PRO CB C 13 31.870 0.000 . 1 . . . . . . . . 5788 1 366 . 1 1 37 37 PRO CG C 13 27.400 0.000 . 1 . . . . . . . . 5788 1 367 . 1 1 37 37 PRO CD C 13 50.520 0.000 . 1 . . . . . . . . 5788 1 368 . 1 1 38 38 GLU H H 1 8.470 0.000 . 1 . . . . . . . . 5788 1 369 . 1 1 38 38 GLU HA H 1 4.290 0.000 . 1 . . . . . . . . 5788 1 370 . 1 1 38 38 GLU HB2 H 1 1.850 0.000 . 2 . . . . . . . . 5788 1 371 . 1 1 38 38 GLU HB3 H 1 1.700 0.000 . 2 . . . . . . . . 5788 1 372 . 1 1 38 38 GLU HG2 H 1 2.080 0.000 . 1 . . . . . . . . 5788 1 373 . 1 1 38 38 GLU C C 13 175.830 0.000 . 1 . . . . . . . . 5788 1 374 . 1 1 38 38 GLU N N 15 121.880 0.000 . 1 . . . . . . . . 5788 1 375 . 1 1 39 39 LEU H H 1 9.070 0.000 . 1 . . . . . . . . 5788 1 376 . 1 1 39 39 LEU HA H 1 4.420 0.000 . 1 . . . . . . . . 5788 1 377 . 1 1 39 39 LEU HB2 H 1 1.570 0.000 . 2 . . . . . . . . 5788 1 378 . 1 1 39 39 LEU HB3 H 1 1.230 0.000 . 2 . . . . . . . . 5788 1 379 . 1 1 39 39 LEU HG H 1 1.570 0.000 . 1 . . . . . . . . 5788 1 380 . 1 1 39 39 LEU HD11 H 1 0.750 0.000 . 2 . . . . . . . . 5788 1 381 . 1 1 39 39 LEU HD12 H 1 0.750 0.000 . 2 . . . . . . . . 5788 1 382 . 1 1 39 39 LEU HD13 H 1 0.750 0.000 . 2 . . . . . . . . 5788 1 383 . 1 1 39 39 LEU HD21 H 1 0.760 0.000 . 2 . . . . . . . . 5788 1 384 . 1 1 39 39 LEU HD22 H 1 0.760 0.000 . 2 . . . . . . . . 5788 1 385 . 1 1 39 39 LEU HD23 H 1 0.760 0.000 . 2 . . . . . . . . 5788 1 386 . 1 1 39 39 LEU C C 13 175.990 0.000 . 1 . . . . . . . . 5788 1 387 . 1 1 39 39 LEU CA C 13 54.248 0.000 . 1 . . . . . . . . 5788 1 388 . 1 1 39 39 LEU CB C 13 43.060 0.000 . 1 . . . . . . . . 5788 1 389 . 1 1 39 39 LEU CD1 C 13 25.910 0.000 . 1 . . . . . . . . 5788 1 390 . 1 1 39 39 LEU CD2 C 13 22.920 0.000 . 1 . . . . . . . . 5788 1 391 . 1 1 39 39 LEU N N 15 126.200 0.000 . 1 . . . . . . . . 5788 1 392 . 1 1 40 40 TRP H H 1 8.900 0.000 . 1 . . . . . . . . 5788 1 393 . 1 1 40 40 TRP HA H 1 4.860 0.000 . 1 . . . . . . . . 5788 1 394 . 1 1 40 40 TRP HB2 H 1 3.350 0.000 . 2 . . . . . . . . 5788 1 395 . 1 1 40 40 TRP HB3 H 1 2.980 0.000 . 2 . . . . . . . . 5788 1 396 . 1 1 40 40 TRP HD1 H 1 7.180 0.000 . 1 . . . . . . . . 5788 1 397 . 1 1 40 40 TRP HE1 H 1 10.140 0.000 . 1 . . . . . . . . 5788 1 398 . 1 1 40 40 TRP HE3 H 1 7.580 0.000 . 1 . . . . . . . . 5788 1 399 . 1 1 40 40 TRP HZ2 H 1 7.430 0.000 . 1 . . . . . . . . 5788 1 400 . 1 1 40 40 TRP HZ3 H 1 7.100 0.000 . 1 . . . . . . . . 5788 1 401 . 1 1 40 40 TRP HH2 H 1 7.120 0.000 . 1 . . . . . . . . 5788 1 402 . 1 1 40 40 TRP C C 13 175.770 0.000 . 1 . . . . . . . . 5788 1 403 . 1 1 40 40 TRP CA C 13 56.108 0.000 . 1 . . . . . . . . 5788 1 404 . 1 1 40 40 TRP CB C 13 30.010 0.000 . 1 . . . . . . . . 5788 1 405 . 1 1 40 40 TRP N N 15 122.960 0.000 . 1 . . . . . . . . 5788 1 406 . 1 1 40 40 TRP NE1 N 15 129.220 0.000 . 1 . . . . . . . . 5788 1 407 . 1 1 41 41 LEU H H 1 8.710 0.000 . 1 . . . . . . . . 5788 1 408 . 1 1 41 41 LEU HA H 1 4.320 0.000 . 1 . . . . . . . . 5788 1 409 . 1 1 41 41 LEU HB2 H 1 1.640 0.000 . 2 . . . . . . . . 5788 1 410 . 1 1 41 41 LEU HB3 H 1 1.450 0.000 . 2 . . . . . . . . 5788 1 411 . 1 1 41 41 LEU HG H 1 1.630 0.000 . 1 . . . . . . . . 5788 1 412 . 1 1 41 41 LEU HD11 H 1 0.750 0.000 . 2 . . . . . . . . 5788 1 413 . 1 1 41 41 LEU HD12 H 1 0.750 0.000 . 2 . . . . . . . . 5788 1 414 . 1 1 41 41 LEU HD13 H 1 0.750 0.000 . 2 . . . . . . . . 5788 1 415 . 1 1 41 41 LEU HD21 H 1 0.740 0.000 . 2 . . . . . . . . 5788 1 416 . 1 1 41 41 LEU HD22 H 1 0.740 0.000 . 2 . . . . . . . . 5788 1 417 . 1 1 41 41 LEU HD23 H 1 0.740 0.000 . 2 . . . . . . . . 5788 1 418 . 1 1 41 41 LEU C C 13 177.390 0.000 . 1 . . . . . . . . 5788 1 419 . 1 1 41 41 LEU CA C 13 54.248 0.000 . 1 . . . . . . . . 5788 1 420 . 1 1 41 41 LEU CB C 13 41.940 0.000 . 1 . . . . . . . . 5788 1 421 . 1 1 41 41 LEU CD2 C 13 23.300 0.000 . 1 . . . . . . . . 5788 1 422 . 1 1 41 41 LEU N N 15 124.470 0.000 . 1 . . . . . . . . 5788 1 423 . 1 1 42 42 GLY H H 1 8.500 0.000 . 1 . . . . . . . . 5788 1 424 . 1 1 42 42 GLY C C 13 174.360 0.000 . 1 . . . . . . . . 5788 1 425 . 1 1 42 42 GLY CA C 13 44.920 0.000 . 1 . . . . . . . . 5788 1 426 . 1 1 42 42 GLY N N 15 109.570 0.000 . 1 . . . . . . . . 5788 1 427 . 1 1 43 43 GLN H H 1 8.360 0.000 . 1 . . . . . . . . 5788 1 428 . 1 1 43 43 GLN HA H 1 4.250 0.000 . 1 . . . . . . . . 5788 1 429 . 1 1 43 43 GLN HB2 H 1 2.120 0.000 . 2 . . . . . . . . 5788 1 430 . 1 1 43 43 GLN HB3 H 1 1.960 0.000 . 2 . . . . . . . . 5788 1 431 . 1 1 43 43 GLN HG2 H 1 2.320 0.000 . 1 . . . . . . . . 5788 1 432 . 1 1 43 43 GLN C C 13 176.220 0.000 . 1 . . . . . . . . 5788 1 433 . 1 1 43 43 GLN CA C 13 56.108 0.000 . 1 . . . . . . . . 5788 1 434 . 1 1 43 43 GLN CB C 13 29.260 0.000 . 1 . . . . . . . . 5788 1 435 . 1 1 43 43 GLN CG C 13 33.740 0.000 . 1 . . . . . . . . 5788 1 436 . 1 1 43 43 GLN N N 15 119.070 0.000 . 1 . . . . . . . . 5788 1 437 . 1 1 44 44 ASN H H 1 8.510 0.000 . 1 . . . . . . . . 5788 1 438 . 1 1 44 44 ASN HA H 1 4.650 0.000 . 1 . . . . . . . . 5788 1 439 . 1 1 44 44 ASN HB2 H 1 2.840 0.000 . 2 . . . . . . . . 5788 1 440 . 1 1 44 44 ASN HB3 H 1 2.700 0.000 . 2 . . . . . . . . 5788 1 441 . 1 1 44 44 ASN C C 13 175.600 0.000 . 1 . . . . . . . . 5788 1 442 . 1 1 44 44 ASN CA C 13 53.128 0.000 . 1 . . . . . . . . 5788 1 443 . 1 1 44 44 ASN CB C 13 38.580 0.000 . 1 . . . . . . . . 5788 1 444 . 1 1 44 44 ASN N N 15 117.340 0.000 . 1 . . . . . . . . 5788 1 445 . 1 1 45 45 GLU H H 1 8.160 0.000 . 1 . . . . . . . . 5788 1 446 . 1 1 45 45 GLU HA H 1 3.900 0.000 . 1 . . . . . . . . 5788 1 447 . 1 1 45 45 GLU HB2 H 1 1.840 0.000 . 2 . . . . . . . . 5788 1 448 . 1 1 45 45 GLU HB3 H 1 1.690 0.000 . 2 . . . . . . . . 5788 1 449 . 1 1 45 45 GLU HG2 H 1 2.010 0.000 . 2 . . . . . . . . 5788 1 450 . 1 1 45 45 GLU HG3 H 1 1.950 0.000 . 2 . . . . . . . . 5788 1 451 . 1 1 45 45 GLU C C 13 176.610 0.000 . 1 . . . . . . . . 5788 1 452 . 1 1 45 45 GLU CA C 13 57.968 0.000 . 1 . . . . . . . . 5788 1 453 . 1 1 45 45 GLU CB C 13 29.640 0.000 . 1 . . . . . . . . 5788 1 454 . 1 1 45 45 GLU CG C 13 35.970 0.000 . 1 . . . . . . . . 5788 1 455 . 1 1 45 45 GLU N N 15 120.150 0.000 . 1 . . . . . . . . 5788 1 456 . 1 1 46 46 PHE H H 1 8.070 0.000 . 1 . . . . . . . . 5788 1 457 . 1 1 46 46 PHE HA H 1 4.400 0.000 . 1 . . . . . . . . 5788 1 458 . 1 1 46 46 PHE HB2 H 1 3.050 0.000 . 2 . . . . . . . . 5788 1 459 . 1 1 46 46 PHE HB3 H 1 2.910 0.000 . 2 . . . . . . . . 5788 1 460 . 1 1 46 46 PHE HD1 H 1 7.110 0.000 . 1 . . . . . . . . 5788 1 461 . 1 1 46 46 PHE HE1 H 1 7.330 0.000 . 1 . . . . . . . . 5788 1 462 . 1 1 46 46 PHE C C 13 175.750 0.000 . 1 . . . . . . . . 5788 1 463 . 1 1 46 46 PHE CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 1 464 . 1 1 46 46 PHE CB C 13 38.960 0.000 . 1 . . . . . . . . 5788 1 465 . 1 1 46 46 PHE N N 15 116.910 0.000 . 1 . . . . . . . . 5788 1 466 . 1 1 47 47 ASP H H 1 7.970 0.000 . 1 . . . . . . . . 5788 1 467 . 1 1 47 47 ASP HA H 1 4.510 0.000 . 1 . . . . . . . . 5788 1 468 . 1 1 47 47 ASP HB2 H 1 2.630 0.000 . 2 . . . . . . . . 5788 1 469 . 1 1 47 47 ASP HB3 H 1 2.570 0.000 . 2 . . . . . . . . 5788 1 470 . 1 1 47 47 ASP C C 13 176.450 0.000 . 1 . . . . . . . . 5788 1 471 . 1 1 47 47 ASP CA C 13 54.618 0.000 . 1 . . . . . . . . 5788 1 472 . 1 1 47 47 ASP CB C 13 40.450 0.000 . 1 . . . . . . . . 5788 1 473 . 1 1 47 47 ASP N N 15 120.580 0.000 . 1 . . . . . . . . 5788 1 474 . 1 1 48 48 PHE H H 1 7.960 0.000 . 1 . . . . . . . . 5788 1 475 . 1 1 48 48 PHE HA H 1 4.550 0.000 . 1 . . . . . . . . 5788 1 476 . 1 1 48 48 PHE HB2 H 1 3.150 0.000 . 2 . . . . . . . . 5788 1 477 . 1 1 48 48 PHE HB3 H 1 3.110 0.000 . 2 . . . . . . . . 5788 1 478 . 1 1 48 48 PHE HD1 H 1 7.220 0.000 . 1 . . . . . . . . 5788 1 479 . 1 1 48 48 PHE C C 13 175.750 0.000 . 1 . . . . . . . . 5788 1 480 . 1 1 48 48 PHE CA C 13 57.968 0.000 . 1 . . . . . . . . 5788 1 481 . 1 1 48 48 PHE CB C 13 38.960 0.000 . 1 . . . . . . . . 5788 1 482 . 1 1 48 48 PHE N N 15 118.850 0.000 . 1 . . . . . . . . 5788 1 483 . 1 1 49 49 MET H H 1 8.070 0.000 . 1 . . . . . . . . 5788 1 484 . 1 1 49 49 MET HA H 1 4.450 0.000 . 1 . . . . . . . . 5788 1 485 . 1 1 49 49 MET HB2 H 1 2.030 0.000 . 1 . . . . . . . . 5788 1 486 . 1 1 49 49 MET HG2 H 1 2.460 0.000 . 2 . . . . . . . . 5788 1 487 . 1 1 49 49 MET HG3 H 1 2.320 0.000 . 2 . . . . . . . . 5788 1 488 . 1 1 49 49 MET HE1 H 1 1.970 0.000 . 1 . . . . . . . . 5788 1 489 . 1 1 49 49 MET HE2 H 1 1.970 0.000 . 1 . . . . . . . . 5788 1 490 . 1 1 49 49 MET HE3 H 1 1.970 0.000 . 1 . . . . . . . . 5788 1 491 . 1 1 49 49 MET C C 13 176.460 0.000 . 1 . . . . . . . . 5788 1 492 . 1 1 49 49 MET CA C 13 55.358 0.000 . 1 . . . . . . . . 5788 1 493 . 1 1 49 49 MET CB C 13 32.240 0.000 . 1 . . . . . . . . 5788 1 494 . 1 1 49 49 MET CG C 13 32.240 0.000 . 1 . . . . . . . . 5788 1 495 . 1 1 49 49 MET CE C 13 16.960 0.000 . 1 . . . . . . . . 5788 1 496 . 1 1 49 49 MET N N 15 118.420 0.000 . 1 . . . . . . . . 5788 1 497 . 1 1 50 50 THR H H 1 7.890 0.000 . 1 . . . . . . . . 5788 1 498 . 1 1 50 50 THR HA H 1 4.280 0.000 . 1 . . . . . . . . 5788 1 499 . 1 1 50 50 THR HB H 1 4.180 0.000 . 1 . . . . . . . . 5788 1 500 . 1 1 50 50 THR HG21 H 1 1.110 0.000 . 1 . . . . . . . . 5788 1 501 . 1 1 50 50 THR HG22 H 1 1.110 0.000 . 1 . . . . . . . . 5788 1 502 . 1 1 50 50 THR HG23 H 1 1.110 0.000 . 1 . . . . . . . . 5788 1 503 . 1 1 50 50 THR C C 13 174.120 0.000 . 1 . . . . . . . . 5788 1 504 . 1 1 50 50 THR CA C 13 62.078 0.000 . 1 . . . . . . . . 5788 1 505 . 1 1 50 50 THR CB C 13 69.528 0.000 . 1 . . . . . . . . 5788 1 506 . 1 1 50 50 THR CG2 C 13 21.430 0.000 . 1 . . . . . . . . 5788 1 507 . 1 1 50 50 THR N N 15 112.160 0.000 . 1 . . . . . . . . 5788 1 508 . 1 1 51 51 ASP H H 1 8.120 0.000 . 1 . . . . . . . . 5788 1 509 . 1 1 51 51 ASP HA H 1 4.640 0.000 . 1 . . . . . . . . 5788 1 510 . 1 1 51 51 ASP HB2 H 1 2.660 0.000 . 2 . . . . . . . . 5788 1 511 . 1 1 51 51 ASP HB3 H 1 2.510 0.000 . 2 . . . . . . . . 5788 1 512 . 1 1 51 51 ASP C C 13 174.610 0.000 . 1 . . . . . . . . 5788 1 513 . 1 1 51 51 ASP CA C 13 54.248 0.000 . 1 . . . . . . . . 5788 1 514 . 1 1 51 51 ASP CB C 13 40.820 0.000 . 1 . . . . . . . . 5788 1 515 . 1 1 51 51 ASP N N 15 121.660 0.000 . 1 . . . . . . . . 5788 1 516 . 1 1 52 52 PHE H H 1 7.580 0.000 . 1 . . . . . . . . 5788 1 517 . 1 1 52 52 PHE HA H 1 4.420 0.000 . 1 . . . . . . . . 5788 1 518 . 1 1 52 52 PHE HB2 H 1 3.120 0.000 . 2 . . . . . . . . 5788 1 519 . 1 1 52 52 PHE HB3 H 1 2.980 0.000 . 2 . . . . . . . . 5788 1 520 . 1 1 52 52 PHE HD1 H 1 7.180 0.000 . 1 . . . . . . . . 5788 1 521 . 1 1 52 52 PHE CA C 13 58.718 0.000 . 1 . . . . . . . . 5788 1 522 . 1 1 52 52 PHE CB C 13 40.080 0.000 . 1 . . . . . . . . 5788 1 523 . 1 1 52 52 PHE N N 15 124.040 0.000 . 1 . . . . . . . . 5788 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5788 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5788 2 . . 2 $sample_2 . 5788 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 4 4 GLY C C 13 173.810 0.000 . 1 . . . . . . . . 5788 2 2 . 2 2 4 4 GLY CA C 13 45.300 0.000 . 1 . . . . . . . . 5788 2 3 . 2 2 5 5 ALA H H 1 8.110 0.000 . 1 . . . . . . . . 5788 2 4 . 2 2 5 5 ALA HA H 1 4.280 0.000 . 1 . . . . . . . . 5788 2 5 . 2 2 5 5 ALA HB1 H 1 1.320 0.000 . 1 . . . . . . . . 5788 2 6 . 2 2 5 5 ALA HB2 H 1 1.320 0.000 . 1 . . . . . . . . 5788 2 7 . 2 2 5 5 ALA HB3 H 1 1.320 0.000 . 1 . . . . . . . . 5788 2 8 . 2 2 5 5 ALA C C 13 177.620 0.000 . 1 . . . . . . . . 5788 2 9 . 2 2 5 5 ALA CA C 13 52.008 0.000 . 1 . . . . . . . . 5788 2 10 . 2 2 5 5 ALA CB C 13 19.190 0.000 . 1 . . . . . . . . 5788 2 11 . 2 2 5 5 ALA N N 15 123.170 0.000 . 1 . . . . . . . . 5788 2 12 . 2 2 6 6 HIS H H 1 8.540 0.000 . 1 . . . . . . . . 5788 2 13 . 2 2 6 6 HIS HA H 1 4.730 0.000 . 1 . . . . . . . . 5788 2 14 . 2 2 6 6 HIS HB2 H 1 3.240 0.000 . 2 . . . . . . . . 5788 2 15 . 2 2 6 6 HIS HB3 H 1 3.130 0.000 . 2 . . . . . . . . 5788 2 16 . 2 2 6 6 HIS C C 13 174.590 0.000 . 1 . . . . . . . . 5788 2 17 . 2 2 6 6 HIS CA C 13 54.988 0.000 . 1 . . . . . . . . 5788 2 18 . 2 2 6 6 HIS CB C 13 29.260 0.000 . 1 . . . . . . . . 5788 2 19 . 2 2 6 6 HIS N N 15 117.770 0.000 . 1 . . . . . . . . 5788 2 20 . 2 2 7 7 THR H H 1 8.120 0.000 . 1 . . . . . . . . 5788 2 21 . 2 2 7 7 THR HA H 1 4.290 0.000 . 1 . . . . . . . . 5788 2 22 . 2 2 7 7 THR HB H 1 4.130 0.000 . 1 . . . . . . . . 5788 2 23 . 2 2 7 7 THR HG21 H 1 1.190 0.000 . 1 . . . . . . . . 5788 2 24 . 2 2 7 7 THR HG22 H 1 1.190 0.000 . 1 . . . . . . . . 5788 2 25 . 2 2 7 7 THR HG23 H 1 1.190 0.000 . 1 . . . . . . . . 5788 2 26 . 2 2 7 7 THR C C 13 173.890 0.000 . 1 . . . . . . . . 5788 2 27 . 2 2 7 7 THR CA C 13 61.328 0.000 . 1 . . . . . . . . 5788 2 28 . 2 2 7 7 THR CB C 13 69.528 0.000 . 1 . . . . . . . . 5788 2 29 . 2 2 7 7 THR CG2 C 13 21.430 0.000 . 1 . . . . . . . . 5788 2 30 . 2 2 7 7 THR N N 15 115.830 0.000 . 1 . . . . . . . . 5788 2 31 . 2 2 8 8 ALA H H 1 8.440 0.000 . 1 . . . . . . . . 5788 2 32 . 2 2 8 8 ALA HA H 1 4.300 0.000 . 1 . . . . . . . . 5788 2 33 . 2 2 8 8 ALA HB1 H 1 1.330 0.000 . 1 . . . . . . . . 5788 2 34 . 2 2 8 8 ALA HB2 H 1 1.330 0.000 . 1 . . . . . . . . 5788 2 35 . 2 2 8 8 ALA HB3 H 1 1.330 0.000 . 1 . . . . . . . . 5788 2 36 . 2 2 8 8 ALA C C 13 177.000 0.000 . 1 . . . . . . . . 5788 2 37 . 2 2 8 8 ALA CA C 13 52.008 0.000 . 1 . . . . . . . . 5788 2 38 . 2 2 8 8 ALA CB C 13 19.570 0.000 . 1 . . . . . . . . 5788 2 39 . 2 2 8 8 ALA N N 15 126.630 0.000 . 1 . . . . . . . . 5788 2 40 . 2 2 9 9 ASP H H 1 8.420 0.000 . 1 . . . . . . . . 5788 2 41 . 2 2 9 9 ASP HA H 1 4.850 0.000 . 1 . . . . . . . . 5788 2 42 . 2 2 9 9 ASP HB2 H 1 2.880 0.000 . 2 . . . . . . . . 5788 2 43 . 2 2 9 9 ASP HB3 H 1 2.760 0.000 . 2 . . . . . . . . 5788 2 44 . 2 2 9 9 ASP CA C 13 52.758 0.000 . 1 . . . . . . . . 5788 2 45 . 2 2 9 9 ASP CB C 13 38.580 0.000 . 1 . . . . . . . . 5788 2 46 . 2 2 9 9 ASP N N 15 121.660 0.000 . 1 . . . . . . . . 5788 2 47 . 2 2 10 10 PRO HA H 1 4.260 0.000 . 1 . . . . . . . . 5788 2 48 . 2 2 10 10 PRO HB2 H 1 2.380 0.000 . 2 . . . . . . . . 5788 2 49 . 2 2 10 10 PRO HB3 H 1 2.020 0.000 . 2 . . . . . . . . 5788 2 50 . 2 2 10 10 PRO HG2 H 1 2.130 0.000 . 2 . . . . . . . . 5788 2 51 . 2 2 10 10 PRO HG3 H 1 2.080 0.000 . 2 . . . . . . . . 5788 2 52 . 2 2 10 10 PRO HD2 H 1 3.920 0.000 . 1 . . . . . . . . 5788 2 53 . 2 2 10 10 PRO C C 13 178.780 0.000 . 1 . . . . . . . . 5788 2 54 . 2 2 10 10 PRO CA C 13 64.688 0.000 . 1 . . . . . . . . 5788 2 55 . 2 2 10 10 PRO CB C 13 31.870 0.000 . 1 . . . . . . . . 5788 2 56 . 2 2 10 10 PRO CG C 13 27.400 0.000 . 1 . . . . . . . . 5788 2 57 . 2 2 10 10 PRO CD C 13 50.890 0.000 . 1 . . . . . . . . 5788 2 58 . 2 2 11 11 GLU H H 1 8.310 0.000 . 1 . . . . . . . . 5788 2 59 . 2 2 11 11 GLU HA H 1 4.170 0.000 . 1 . . . . . . . . 5788 2 60 . 2 2 11 11 GLU HB2 H 1 2.120 0.000 . 1 . . . . . . . . 5788 2 61 . 2 2 11 11 GLU HG2 H 1 2.320 0.000 . 1 . . . . . . . . 5788 2 62 . 2 2 11 11 GLU C C 13 178.470 0.000 . 1 . . . . . . . . 5788 2 63 . 2 2 11 11 GLU CA C 13 58.348 0.000 . 1 . . . . . . . . 5788 2 64 . 2 2 11 11 GLU CB C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 65 . 2 2 11 11 GLU CG C 13 36.350 0.000 . 1 . . . . . . . . 5788 2 66 . 2 2 11 11 GLU N N 15 119.070 0.000 . 1 . . . . . . . . 5788 2 67 . 2 2 12 12 LYS H H 1 7.890 0.000 . 1 . . . . . . . . 5788 2 68 . 2 2 12 12 LYS HA H 1 3.950 0.000 . 1 . . . . . . . . 5788 2 69 . 2 2 12 12 LYS HB2 H 1 1.930 0.000 . 2 . . . . . . . . 5788 2 70 . 2 2 12 12 LYS HB3 H 1 1.820 0.000 . 2 . . . . . . . . 5788 2 71 . 2 2 12 12 LYS HG2 H 1 1.470 0.000 . 1 . . . . . . . . 5788 2 72 . 2 2 12 12 LYS HD2 H 1 1.690 0.000 . 1 . . . . . . . . 5788 2 73 . 2 2 12 12 LYS HE2 H 1 3.010 0.000 . 2 . . . . . . . . 5788 2 74 . 2 2 12 12 LYS HE3 H 1 2.720 0.000 . 2 . . . . . . . . 5788 2 75 . 2 2 12 12 LYS C C 13 178.320 0.000 . 1 . . . . . . . . 5788 2 76 . 2 2 12 12 LYS CA C 13 59.088 0.000 . 1 . . . . . . . . 5788 2 77 . 2 2 12 12 LYS CB C 13 32.240 0.000 . 1 . . . . . . . . 5788 2 78 . 2 2 12 12 LYS CG C 13 25.160 0.000 . 1 . . . . . . . . 5788 2 79 . 2 2 12 12 LYS CD C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 80 . 2 2 12 12 LYS CE C 13 41.940 0.000 . 1 . . . . . . . . 5788 2 81 . 2 2 12 12 LYS N N 15 120.580 0.000 . 1 . . . . . . . . 5788 2 82 . 2 2 13 13 ARG H H 1 8.030 0.000 . 1 . . . . . . . . 5788 2 83 . 2 2 13 13 ARG HA H 1 3.690 0.000 . 1 . . . . . . . . 5788 2 84 . 2 2 13 13 ARG HB2 H 1 1.850 0.000 . 2 . . . . . . . . 5788 2 85 . 2 2 13 13 ARG HB3 H 1 1.800 0.000 . 2 . . . . . . . . 5788 2 86 . 2 2 13 13 ARG HG2 H 1 1.540 0.000 . 2 . . . . . . . . 5788 2 87 . 2 2 13 13 ARG HG3 H 1 1.440 0.000 . 2 . . . . . . . . 5788 2 88 . 2 2 13 13 ARG HD2 H 1 3.080 0.000 . 2 . . . . . . . . 5788 2 89 . 2 2 13 13 ARG HD3 H 1 3.040 0.000 . 2 . . . . . . . . 5788 2 90 . 2 2 13 13 ARG C C 13 177.700 0.000 . 1 . . . . . . . . 5788 2 91 . 2 2 13 13 ARG CA C 13 60.208 0.000 . 1 . . . . . . . . 5788 2 92 . 2 2 13 13 ARG CB C 13 30.010 0.000 . 1 . . . . . . . . 5788 2 93 . 2 2 13 13 ARG CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 2 94 . 2 2 13 13 ARG CD C 13 43.800 0.000 . 1 . . . . . . . . 5788 2 95 . 2 2 13 13 ARG N N 15 117.560 0.000 . 1 . . . . . . . . 5788 2 96 . 2 2 14 14 LYS H H 1 7.550 0.000 . 1 . . . . . . . . 5788 2 97 . 2 2 14 14 LYS HA H 1 4.170 0.000 . 1 . . . . . . . . 5788 2 98 . 2 2 14 14 LYS HB2 H 1 1.990 0.000 . 2 . . . . . . . . 5788 2 99 . 2 2 14 14 LYS HB3 H 1 1.950 0.000 . 2 . . . . . . . . 5788 2 100 . 2 2 14 14 LYS HG2 H 1 1.410 0.000 . 1 . . . . . . . . 5788 2 101 . 2 2 14 14 LYS HD2 H 1 1.760 0.000 . 1 . . . . . . . . 5788 2 102 . 2 2 14 14 LYS HE2 H 1 2.970 0.000 . 1 . . . . . . . . 5788 2 103 . 2 2 14 14 LYS C C 13 178.630 0.000 . 1 . . . . . . . . 5788 2 104 . 2 2 14 14 LYS CA C 13 58.718 0.000 . 1 . . . . . . . . 5788 2 105 . 2 2 14 14 LYS CB C 13 31.870 0.000 . 1 . . . . . . . . 5788 2 106 . 2 2 14 14 LYS CG C 13 24.790 0.000 . 1 . . . . . . . . 5788 2 107 . 2 2 14 14 LYS CD C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 108 . 2 2 14 14 LYS CE C 13 41.940 0.000 . 1 . . . . . . . . 5788 2 109 . 2 2 14 14 LYS N N 15 118.640 0.000 . 1 . . . . . . . . 5788 2 110 . 2 2 15 15 LEU H H 1 7.680 0.000 . 1 . . . . . . . . 5788 2 111 . 2 2 15 15 LEU HA H 1 4.110 0.000 . 1 . . . . . . . . 5788 2 112 . 2 2 15 15 LEU HB2 H 1 2.050 0.000 . 2 . . . . . . . . 5788 2 113 . 2 2 15 15 LEU HB3 H 1 1.600 0.000 . 2 . . . . . . . . 5788 2 114 . 2 2 15 15 LEU HG H 1 1.980 0.000 . 1 . . . . . . . . 5788 2 115 . 2 2 15 15 LEU HD11 H 1 0.910 0.000 . 2 . . . . . . . . 5788 2 116 . 2 2 15 15 LEU HD12 H 1 0.910 0.000 . 2 . . . . . . . . 5788 2 117 . 2 2 15 15 LEU HD13 H 1 0.910 0.000 . 2 . . . . . . . . 5788 2 118 . 2 2 15 15 LEU HD21 H 1 0.900 0.000 . 2 . . . . . . . . 5788 2 119 . 2 2 15 15 LEU HD22 H 1 0.900 0.000 . 2 . . . . . . . . 5788 2 120 . 2 2 15 15 LEU HD23 H 1 0.900 0.000 . 2 . . . . . . . . 5788 2 121 . 2 2 15 15 LEU C C 13 180.650 0.000 . 1 . . . . . . . . 5788 2 122 . 2 2 15 15 LEU CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 2 123 . 2 2 15 15 LEU CB C 13 41.570 0.000 . 1 . . . . . . . . 5788 2 124 . 2 2 15 15 LEU CD1 C 13 25.530 0.000 . 1 . . . . . . . . 5788 2 125 . 2 2 15 15 LEU CD2 C 13 22.550 0.000 . 1 . . . . . . . . 5788 2 126 . 2 2 15 15 LEU N N 15 118.420 0.000 . 1 . . . . . . . . 5788 2 127 . 2 2 16 16 ILE H H 1 8.110 0.000 . 1 . . . . . . . . 5788 2 128 . 2 2 16 16 ILE HA H 1 3.430 0.000 . 1 . . . . . . . . 5788 2 129 . 2 2 16 16 ILE HB H 1 1.940 0.000 . 1 . . . . . . . . 5788 2 130 . 2 2 16 16 ILE HG12 H 1 1.790 0.000 . 2 . . . . . . . . 5788 2 131 . 2 2 16 16 ILE HG13 H 1 0.770 0.000 . 2 . . . . . . . . 5788 2 132 . 2 2 16 16 ILE HG21 H 1 0.800 0.000 . 1 . . . . . . . . 5788 2 133 . 2 2 16 16 ILE HG22 H 1 0.800 0.000 . 1 . . . . . . . . 5788 2 134 . 2 2 16 16 ILE HG23 H 1 0.800 0.000 . 1 . . . . . . . . 5788 2 135 . 2 2 16 16 ILE HD11 H 1 0.560 0.000 . 1 . . . . . . . . 5788 2 136 . 2 2 16 16 ILE HD12 H 1 0.560 0.000 . 1 . . . . . . . . 5788 2 137 . 2 2 16 16 ILE HD13 H 1 0.560 0.000 . 1 . . . . . . . . 5788 2 138 . 2 2 16 16 ILE C C 13 177.230 0.000 . 1 . . . . . . . . 5788 2 139 . 2 2 16 16 ILE CA C 13 65.058 0.000 . 1 . . . . . . . . 5788 2 140 . 2 2 16 16 ILE CB C 13 37.470 0.000 . 1 . . . . . . . . 5788 2 141 . 2 2 16 16 ILE CG1 C 13 29.640 0.000 . 1 . . . . . . . . 5788 2 142 . 2 2 16 16 ILE CG2 C 13 17.700 0.000 . 1 . . . . . . . . 5788 2 143 . 2 2 16 16 ILE CD1 C 13 13.970 0.000 . 1 . . . . . . . . 5788 2 144 . 2 2 16 16 ILE N N 15 120.150 0.000 . 1 . . . . . . . . 5788 2 145 . 2 2 17 17 GLN H H 1 8.240 0.000 . 1 . . . . . . . . 5788 2 146 . 2 2 17 17 GLN HA H 1 3.790 0.000 . 1 . . . . . . . . 5788 2 147 . 2 2 17 17 GLN HB2 H 1 2.460 0.000 . 1 . . . . . . . . 5788 2 148 . 2 2 17 17 GLN HG2 H 1 2.690 0.000 . 2 . . . . . . . . 5788 2 149 . 2 2 17 17 GLN HG3 H 1 2.500 0.000 . 2 . . . . . . . . 5788 2 150 . 2 2 17 17 GLN C C 13 177.770 0.000 . 1 . . . . . . . . 5788 2 151 . 2 2 17 17 GLN CA C 13 59.468 0.000 . 1 . . . . . . . . 5788 2 152 . 2 2 17 17 GLN CB C 13 29.640 0.000 . 1 . . . . . . . . 5788 2 153 . 2 2 17 17 GLN CG C 13 34.480 0.000 . 1 . . . . . . . . 5788 2 154 . 2 2 17 17 GLN N N 15 118.210 0.000 . 1 . . . . . . . . 5788 2 155 . 2 2 18 18 GLN H H 1 8.510 0.000 . 1 . . . . . . . . 5788 2 156 . 2 2 18 18 GLN HA H 1 3.910 0.000 . 1 . . . . . . . . 5788 2 157 . 2 2 18 18 GLN HB2 H 1 2.000 0.000 . 1 . . . . . . . . 5788 2 158 . 2 2 18 18 GLN HG2 H 1 2.360 0.000 . 1 . . . . . . . . 5788 2 159 . 2 2 18 18 GLN C C 13 177.070 0.000 . 1 . . . . . . . . 5788 2 160 . 2 2 18 18 GLN CA C 13 59.088 0.000 . 1 . . . . . . . . 5788 2 161 . 2 2 18 18 GLN CB C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 162 . 2 2 18 18 GLN CG C 13 35.230 0.000 . 1 . . . . . . . . 5788 2 163 . 2 2 18 18 GLN N N 15 116.480 0.000 . 1 . . . . . . . . 5788 2 164 . 2 2 19 19 GLN H H 1 7.720 0.000 . 1 . . . . . . . . 5788 2 165 . 2 2 19 19 GLN HA H 1 3.900 0.000 . 1 . . . . . . . . 5788 2 166 . 2 2 19 19 GLN HB2 H 1 2.070 0.000 . 1 . . . . . . . . 5788 2 167 . 2 2 19 19 GLN HG2 H 1 2.790 0.000 . 1 . . . . . . . . 5788 2 168 . 2 2 19 19 GLN C C 13 176.530 0.000 . 1 . . . . . . . . 5788 2 169 . 2 2 19 19 GLN CA C 13 60.208 0.000 . 1 . . . . . . . . 5788 2 170 . 2 2 19 19 GLN CG C 13 34.850 0.000 . 1 . . . . . . . . 5788 2 171 . 2 2 19 19 GLN N N 15 118.210 0.000 . 1 . . . . . . . . 5788 2 172 . 2 2 20 20 LEU H H 1 8.520 0.000 . 1 . . . . . . . . 5788 2 173 . 2 2 20 20 LEU HA H 1 3.960 0.000 . 1 . . . . . . . . 5788 2 174 . 2 2 20 20 LEU HB2 H 1 2.140 0.000 . 2 . . . . . . . . 5788 2 175 . 2 2 20 20 LEU HB3 H 1 1.360 0.000 . 2 . . . . . . . . 5788 2 176 . 2 2 20 20 LEU HG H 1 1.120 0.000 . 1 . . . . . . . . 5788 2 177 . 2 2 20 20 LEU HD11 H 1 0.520 0.000 . 2 . . . . . . . . 5788 2 178 . 2 2 20 20 LEU HD12 H 1 0.520 0.000 . 2 . . . . . . . . 5788 2 179 . 2 2 20 20 LEU HD13 H 1 0.520 0.000 . 2 . . . . . . . . 5788 2 180 . 2 2 20 20 LEU HD21 H 1 0.890 0.000 . 2 . . . . . . . . 5788 2 181 . 2 2 20 20 LEU HD22 H 1 0.890 0.000 . 2 . . . . . . . . 5788 2 182 . 2 2 20 20 LEU HD23 H 1 0.890 0.000 . 2 . . . . . . . . 5788 2 183 . 2 2 20 20 LEU C C 13 177.150 0.000 . 1 . . . . . . . . 5788 2 184 . 2 2 20 20 LEU CA C 13 58.348 0.000 . 1 . . . . . . . . 5788 2 185 . 2 2 20 20 LEU CB C 13 41.190 0.000 . 1 . . . . . . . . 5788 2 186 . 2 2 20 20 LEU CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 2 187 . 2 2 20 20 LEU CD1 C 13 20.690 0.000 . 1 . . . . . . . . 5788 2 188 . 2 2 20 20 LEU CD2 C 13 26.650 0.000 . 1 . . . . . . . . 5788 2 189 . 2 2 20 20 LEU N N 15 119.500 0.000 . 1 . . . . . . . . 5788 2 190 . 2 2 21 21 VAL H H 1 8.230 0.000 . 1 . . . . . . . . 5788 2 191 . 2 2 21 21 VAL HA H 1 3.300 0.000 . 1 . . . . . . . . 5788 2 192 . 2 2 21 21 VAL HB H 1 2.060 0.000 . 1 . . . . . . . . 5788 2 193 . 2 2 21 21 VAL HG11 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 194 . 2 2 21 21 VAL HG12 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 195 . 2 2 21 21 VAL HG13 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 196 . 2 2 21 21 VAL HG21 H 1 1.020 0.000 . 2 . . . . . . . . 5788 2 197 . 2 2 21 21 VAL HG22 H 1 1.020 0.000 . 2 . . . . . . . . 5788 2 198 . 2 2 21 21 VAL HG23 H 1 1.020 0.000 . 2 . . . . . . . . 5788 2 199 . 2 2 21 21 VAL C C 13 177.540 0.000 . 1 . . . . . . . . 5788 2 200 . 2 2 21 21 VAL CA C 13 67.298 0.000 . 1 . . . . . . . . 5788 2 201 . 2 2 21 21 VAL CB C 13 31.500 0.000 . 1 . . . . . . . . 5788 2 202 . 2 2 21 21 VAL CG1 C 13 22.550 0.000 . 1 . . . . . . . . 5788 2 203 . 2 2 21 21 VAL CG2 C 13 24.410 0.000 . 1 . . . . . . . . 5788 2 204 . 2 2 21 21 VAL N N 15 117.130 0.000 . 1 . . . . . . . . 5788 2 205 . 2 2 22 22 LEU H H 1 8.010 0.000 . 1 . . . . . . . . 5788 2 206 . 2 2 22 22 LEU HA H 1 3.980 0.000 . 1 . . . . . . . . 5788 2 207 . 2 2 22 22 LEU HB2 H 1 1.810 0.000 . 2 . . . . . . . . 5788 2 208 . 2 2 22 22 LEU HB3 H 1 1.530 0.000 . 2 . . . . . . . . 5788 2 209 . 2 2 22 22 LEU HG H 1 1.680 0.000 . 1 . . . . . . . . 5788 2 210 . 2 2 22 22 LEU HD11 H 1 0.840 0.000 . 2 . . . . . . . . 5788 2 211 . 2 2 22 22 LEU HD12 H 1 0.840 0.000 . 2 . . . . . . . . 5788 2 212 . 2 2 22 22 LEU HD13 H 1 0.840 0.000 . 2 . . . . . . . . 5788 2 213 . 2 2 22 22 LEU HD21 H 1 0.830 0.000 . 2 . . . . . . . . 5788 2 214 . 2 2 22 22 LEU HD22 H 1 0.830 0.000 . 2 . . . . . . . . 5788 2 215 . 2 2 22 22 LEU HD23 H 1 0.830 0.000 . 2 . . . . . . . . 5788 2 216 . 2 2 22 22 LEU C C 13 178.710 0.000 . 1 . . . . . . . . 5788 2 217 . 2 2 22 22 LEU CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 2 218 . 2 2 22 22 LEU CD1 C 13 24.410 0.000 . 1 . . . . . . . . 5788 2 219 . 2 2 22 22 LEU CD2 C 13 25.160 0.000 . 1 . . . . . . . . 5788 2 220 . 2 2 22 22 LEU N N 15 118.850 0.000 . 1 . . . . . . . . 5788 2 221 . 2 2 23 23 LEU H H 1 8.560 0.000 . 1 . . . . . . . . 5788 2 222 . 2 2 23 23 LEU HA H 1 3.870 0.000 . 1 . . . . . . . . 5788 2 223 . 2 2 23 23 LEU HB2 H 1 2.190 0.000 . 2 . . . . . . . . 5788 2 224 . 2 2 23 23 LEU HB3 H 1 1.190 0.000 . 2 . . . . . . . . 5788 2 225 . 2 2 23 23 LEU HG H 1 1.860 0.000 . 1 . . . . . . . . 5788 2 226 . 2 2 23 23 LEU HD11 H 1 0.950 0.000 . 2 . . . . . . . . 5788 2 227 . 2 2 23 23 LEU HD12 H 1 0.950 0.000 . 2 . . . . . . . . 5788 2 228 . 2 2 23 23 LEU HD13 H 1 0.950 0.000 . 2 . . . . . . . . 5788 2 229 . 2 2 23 23 LEU HD21 H 1 0.970 0.000 . 2 . . . . . . . . 5788 2 230 . 2 2 23 23 LEU HD22 H 1 0.970 0.000 . 2 . . . . . . . . 5788 2 231 . 2 2 23 23 LEU HD23 H 1 0.970 0.000 . 2 . . . . . . . . 5788 2 232 . 2 2 23 23 LEU C C 13 178.470 0.000 . 1 . . . . . . . . 5788 2 233 . 2 2 23 23 LEU CA C 13 58.718 0.000 . 1 . . . . . . . . 5788 2 234 . 2 2 23 23 LEU CB C 13 43.060 0.000 . 1 . . . . . . . . 5788 2 235 . 2 2 23 23 LEU CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 2 236 . 2 2 23 23 LEU CD1 C 13 25.160 0.000 . 1 . . . . . . . . 5788 2 237 . 2 2 23 23 LEU CD2 C 13 23.670 0.000 . 1 . . . . . . . . 5788 2 238 . 2 2 23 23 LEU N N 15 121.010 0.000 . 1 . . . . . . . . 5788 2 239 . 2 2 24 24 LEU H H 1 8.140 0.000 . 1 . . . . . . . . 5788 2 240 . 2 2 24 24 LEU HA H 1 3.830 0.000 . 1 . . . . . . . . 5788 2 241 . 2 2 24 24 LEU HB2 H 1 1.800 0.000 . 2 . . . . . . . . 5788 2 242 . 2 2 24 24 LEU HB3 H 1 1.040 0.000 . 2 . . . . . . . . 5788 2 243 . 2 2 24 24 LEU HG H 1 1.510 0.000 . 1 . . . . . . . . 5788 2 244 . 2 2 24 24 LEU HD11 H 1 0.040 0.000 . 2 . . . . . . . . 5788 2 245 . 2 2 24 24 LEU HD12 H 1 0.040 0.000 . 2 . . . . . . . . 5788 2 246 . 2 2 24 24 LEU HD13 H 1 0.040 0.000 . 2 . . . . . . . . 5788 2 247 . 2 2 24 24 LEU HD21 H 1 0.030 0.000 . 2 . . . . . . . . 5788 2 248 . 2 2 24 24 LEU HD22 H 1 0.030 0.000 . 2 . . . . . . . . 5788 2 249 . 2 2 24 24 LEU HD23 H 1 0.030 0.000 . 2 . . . . . . . . 5788 2 250 . 2 2 24 24 LEU C C 13 179.560 0.000 . 1 . . . . . . . . 5788 2 251 . 2 2 24 24 LEU CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 2 252 . 2 2 24 24 LEU CB C 13 41.190 0.000 . 1 . . . . . . . . 5788 2 253 . 2 2 24 24 LEU CG C 13 25.910 0.000 . 1 . . . . . . . . 5788 2 254 . 2 2 24 24 LEU CD1 C 13 25.910 0.000 . 1 . . . . . . . . 5788 2 255 . 2 2 24 24 LEU CD2 C 13 21.430 0.000 . 1 . . . . . . . . 5788 2 256 . 2 2 24 24 LEU N N 15 117.770 0.000 . 1 . . . . . . . . 5788 2 257 . 2 2 25 25 HIS H H 1 8.770 0.000 . 1 . . . . . . . . 5788 2 258 . 2 2 25 25 HIS HA H 1 3.920 0.000 . 1 . . . . . . . . 5788 2 259 . 2 2 25 25 HIS HB2 H 1 3.410 0.000 . 2 . . . . . . . . 5788 2 260 . 2 2 25 25 HIS HB3 H 1 2.800 0.000 . 2 . . . . . . . . 5788 2 261 . 2 2 25 25 HIS HD2 H 1 7.130 0.000 . 1 . . . . . . . . 5788 2 262 . 2 2 25 25 HIS HE1 H 1 7.980 0.000 . 1 . . . . . . . . 5788 2 263 . 2 2 25 25 HIS C C 13 176.140 0.000 . 1 . . . . . . . . 5788 2 264 . 2 2 25 25 HIS CA C 13 60.588 0.000 . 1 . . . . . . . . 5788 2 265 . 2 2 25 25 HIS CB C 13 27.020 0.000 . 1 . . . . . . . . 5788 2 266 . 2 2 25 25 HIS N N 15 116.480 0.000 . 1 . . . . . . . . 5788 2 267 . 2 2 26 26 ALA H H 1 9.100 0.000 . 1 . . . . . . . . 5788 2 268 . 2 2 26 26 ALA HA H 1 4.000 0.000 . 1 . . . . . . . . 5788 2 269 . 2 2 26 26 ALA HB1 H 1 1.510 0.000 . 1 . . . . . . . . 5788 2 270 . 2 2 26 26 ALA HB2 H 1 1.510 0.000 . 1 . . . . . . . . 5788 2 271 . 2 2 26 26 ALA HB3 H 1 1.510 0.000 . 1 . . . . . . . . 5788 2 272 . 2 2 26 26 ALA C C 13 178.780 0.000 . 1 . . . . . . . . 5788 2 273 . 2 2 26 26 ALA CA C 13 54.988 0.000 . 1 . . . . . . . . 5788 2 274 . 2 2 26 26 ALA CB C 13 18.820 0.000 . 1 . . . . . . . . 5788 2 275 . 2 2 26 26 ALA N N 15 121.660 0.000 . 1 . . . . . . . . 5788 2 276 . 2 2 27 27 HIS H H 1 8.140 0.000 . 1 . . . . . . . . 5788 2 277 . 2 2 27 27 HIS HA H 1 4.000 0.000 . 1 . . . . . . . . 5788 2 278 . 2 2 27 27 HIS HB2 H 1 3.130 0.000 . 2 . . . . . . . . 5788 2 279 . 2 2 27 27 HIS HB3 H 1 3.080 0.000 . 2 . . . . . . . . 5788 2 280 . 2 2 27 27 HIS C C 13 177.590 0.000 . 1 . . . . . . . . 5788 2 281 . 2 2 27 27 HIS CA C 13 60.588 0.000 . 1 . . . . . . . . 5788 2 282 . 2 2 27 27 HIS CB C 13 30.380 0.000 . 1 . . . . . . . . 5788 2 283 . 2 2 27 27 HIS N N 15 116.910 0.000 . 1 . . . . . . . . 5788 2 284 . 2 2 28 28 LYS H H 1 7.530 0.000 . 1 . . . . . . . . 5788 2 285 . 2 2 28 28 LYS HA H 1 3.800 0.000 . 1 . . . . . . . . 5788 2 286 . 2 2 28 28 LYS HB2 H 1 1.820 0.000 . 1 . . . . . . . . 5788 2 287 . 2 2 28 28 LYS HG2 H 1 1.550 0.000 . 2 . . . . . . . . 5788 2 288 . 2 2 28 28 LYS HG3 H 1 1.460 0.000 . 2 . . . . . . . . 5788 2 289 . 2 2 28 28 LYS HD2 H 1 1.670 0.000 . 1 . . . . . . . . 5788 2 290 . 2 2 28 28 LYS HE2 H 1 2.990 0.000 . 1 . . . . . . . . 5788 2 291 . 2 2 28 28 LYS C C 13 178.160 0.000 . 1 . . . . . . . . 5788 2 292 . 2 2 28 28 LYS CA C 13 58.718 0.000 . 1 . . . . . . . . 5788 2 293 . 2 2 28 28 LYS CB C 13 32.240 0.000 . 1 . . . . . . . . 5788 2 294 . 2 2 28 28 LYS CG C 13 24.790 0.000 . 1 . . . . . . . . 5788 2 295 . 2 2 28 28 LYS CD C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 296 . 2 2 28 28 LYS CE C 13 41.190 0.000 . 1 . . . . . . . . 5788 2 297 . 2 2 28 28 LYS N N 15 119.070 0.000 . 1 . . . . . . . . 5788 2 298 . 2 2 29 29 CYS H H 1 8.860 0.000 . 1 . . . . . . . . 5788 2 299 . 2 2 29 29 CYS HA H 1 3.700 0.000 . 1 . . . . . . . . 5788 2 300 . 2 2 29 29 CYS HB2 H 1 2.550 0.000 . 2 . . . . . . . . 5788 2 301 . 2 2 29 29 CYS HB3 H 1 2.090 0.000 . 2 . . . . . . . . 5788 2 302 . 2 2 29 29 CYS C C 13 177.700 0.000 . 1 . . . . . . . . 5788 2 303 . 2 2 29 29 CYS CA C 13 62.448 0.000 . 1 . . . . . . . . 5788 2 304 . 2 2 29 29 CYS CB C 13 29.640 0.000 . 1 . . . . . . . . 5788 2 305 . 2 2 29 29 CYS N N 15 123.610 0.000 . 1 . . . . . . . . 5788 2 306 . 2 2 30 30 GLN H H 1 8.290 0.000 . 1 . . . . . . . . 5788 2 307 . 2 2 30 30 GLN HA H 1 4.160 0.000 . 1 . . . . . . . . 5788 2 308 . 2 2 30 30 GLN HB2 H 1 2.110 0.000 . 1 . . . . . . . . 5788 2 309 . 2 2 30 30 GLN HG2 H 1 2.430 0.000 . 2 . . . . . . . . 5788 2 310 . 2 2 30 30 GLN HG3 H 1 2.330 0.000 . 2 . . . . . . . . 5788 2 311 . 2 2 30 30 GLN C C 13 177.460 0.000 . 1 . . . . . . . . 5788 2 312 . 2 2 30 30 GLN CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 2 313 . 2 2 30 30 GLN CB C 13 29.260 0.000 . 1 . . . . . . . . 5788 2 314 . 2 2 30 30 GLN CG C 13 34.480 0.000 . 1 . . . . . . . . 5788 2 315 . 2 2 30 30 GLN N N 15 118.850 0.000 . 1 . . . . . . . . 5788 2 316 . 2 2 31 31 ARG H H 1 7.600 0.000 . 1 . . . . . . . . 5788 2 317 . 2 2 31 31 ARG HA H 1 4.090 0.000 . 1 . . . . . . . . 5788 2 318 . 2 2 31 31 ARG HB2 H 1 1.730 0.000 . 1 . . . . . . . . 5788 2 319 . 2 2 31 31 ARG HG2 H 1 1.590 0.000 . 1 . . . . . . . . 5788 2 320 . 2 2 31 31 ARG HD2 H 1 3.090 0.000 . 1 . . . . . . . . 5788 2 321 . 2 2 31 31 ARG C C 13 178.240 0.000 . 1 . . . . . . . . 5788 2 322 . 2 2 31 31 ARG CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 2 323 . 2 2 31 31 ARG CB C 13 29.640 0.000 . 1 . . . . . . . . 5788 2 324 . 2 2 31 31 ARG CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 2 325 . 2 2 31 31 ARG CD C 13 43.060 0.000 . 1 . . . . . . . . 5788 2 326 . 2 2 31 31 ARG N N 15 119.070 0.000 . 1 . . . . . . . . 5788 2 327 . 2 2 32 32 ARG H H 1 7.840 0.000 . 1 . . . . . . . . 5788 2 328 . 2 2 32 32 ARG HA H 1 4.170 0.000 . 1 . . . . . . . . 5788 2 329 . 2 2 32 32 ARG HB2 H 1 1.930 0.000 . 1 . . . . . . . . 5788 2 330 . 2 2 32 32 ARG HG2 H 1 1.740 0.000 . 2 . . . . . . . . 5788 2 331 . 2 2 32 32 ARG HG3 H 1 1.650 0.000 . 2 . . . . . . . . 5788 2 332 . 2 2 32 32 ARG HD2 H 1 3.230 0.000 . 1 . . . . . . . . 5788 2 333 . 2 2 32 32 ARG C C 13 177.620 0.000 . 1 . . . . . . . . 5788 2 334 . 2 2 32 32 ARG CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 2 335 . 2 2 32 32 ARG CB C 13 30.380 0.000 . 1 . . . . . . . . 5788 2 336 . 2 2 32 32 ARG CG C 13 27.400 0.000 . 1 . . . . . . . . 5788 2 337 . 2 2 32 32 ARG CD C 13 43.430 0.000 . 1 . . . . . . . . 5788 2 338 . 2 2 32 32 ARG N N 15 119.930 0.000 . 1 . . . . . . . . 5788 2 339 . 2 2 33 33 GLU H H 1 8.040 0.000 . 1 . . . . . . . . 5788 2 340 . 2 2 33 33 GLU HA H 1 4.170 0.000 . 1 . . . . . . . . 5788 2 341 . 2 2 33 33 GLU HB2 H 1 2.120 0.000 . 1 . . . . . . . . 5788 2 342 . 2 2 33 33 GLU HG2 H 1 2.430 0.000 . 2 . . . . . . . . 5788 2 343 . 2 2 33 33 GLU HG3 H 1 2.330 0.000 . 2 . . . . . . . . 5788 2 344 . 2 2 33 33 GLU C C 13 177.850 0.000 . 1 . . . . . . . . 5788 2 345 . 2 2 33 33 GLU CA C 13 57.598 0.000 . 1 . . . . . . . . 5788 2 346 . 2 2 33 33 GLU CB C 13 30.380 0.000 . 1 . . . . . . . . 5788 2 347 . 2 2 33 33 GLU CG C 13 36.350 0.000 . 1 . . . . . . . . 5788 2 348 . 2 2 33 33 GLU N N 15 120.150 0.000 . 1 . . . . . . . . 5788 2 349 . 2 2 34 34 GLN H H 1 8.120 0.000 . 1 . . . . . . . . 5788 2 350 . 2 2 34 34 GLN HA H 1 4.240 0.000 . 1 . . . . . . . . 5788 2 351 . 2 2 34 34 GLN HB2 H 1 2.110 0.000 . 1 . . . . . . . . 5788 2 352 . 2 2 34 34 GLN HG2 H 1 2.500 0.000 . 2 . . . . . . . . 5788 2 353 . 2 2 34 34 GLN HG3 H 1 2.420 0.000 . 2 . . . . . . . . 5788 2 354 . 2 2 34 34 GLN C C 13 176.840 0.000 . 1 . . . . . . . . 5788 2 355 . 2 2 34 34 GLN CA C 13 56.478 0.000 . 1 . . . . . . . . 5788 2 356 . 2 2 34 34 GLN CB C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 357 . 2 2 34 34 GLN CG C 13 34.110 0.000 . 1 . . . . . . . . 5788 2 358 . 2 2 34 34 GLN N N 15 118.640 0.000 . 1 . . . . . . . . 5788 2 359 . 2 2 35 35 ALA H H 1 7.990 0.000 . 1 . . . . . . . . 5788 2 360 . 2 2 35 35 ALA HA H 1 4.300 0.000 . 1 . . . . . . . . 5788 2 361 . 2 2 35 35 ALA HB1 H 1 1.460 0.000 . 1 . . . . . . . . 5788 2 362 . 2 2 35 35 ALA HB2 H 1 1.460 0.000 . 1 . . . . . . . . 5788 2 363 . 2 2 35 35 ALA HB3 H 1 1.460 0.000 . 1 . . . . . . . . 5788 2 364 . 2 2 35 35 ALA C C 13 177.930 0.000 . 1 . . . . . . . . 5788 2 365 . 2 2 35 35 ALA CA C 13 52.758 0.000 . 1 . . . . . . . . 5788 2 366 . 2 2 35 35 ALA CB C 13 19.190 0.000 . 1 . . . . . . . . 5788 2 367 . 2 2 35 35 ALA N N 15 122.530 0.000 . 1 . . . . . . . . 5788 2 368 . 2 2 36 36 ASN H H 1 8.140 0.000 . 1 . . . . . . . . 5788 2 369 . 2 2 36 36 ASN HA H 1 4.730 0.000 . 1 . . . . . . . . 5788 2 370 . 2 2 36 36 ASN HB2 H 1 2.850 0.000 . 1 . . . . . . . . 5788 2 371 . 2 2 36 36 ASN C C 13 175.680 0.000 . 1 . . . . . . . . 5788 2 372 . 2 2 36 36 ASN CA C 13 53.128 0.000 . 1 . . . . . . . . 5788 2 373 . 2 2 36 36 ASN CB C 13 38.960 0.000 . 1 . . . . . . . . 5788 2 374 . 2 2 36 36 ASN N N 15 115.400 0.000 . 1 . . . . . . . . 5788 2 375 . 2 2 37 37 GLY H H 1 8.240 0.000 . 1 . . . . . . . . 5788 2 376 . 2 2 37 37 GLY C C 13 174.050 0.000 . 1 . . . . . . . . 5788 2 377 . 2 2 37 37 GLY CA C 13 45.670 0.000 . 1 . . . . . . . . 5788 2 378 . 2 2 37 37 GLY N N 15 108.700 0.000 . 1 . . . . . . . . 5788 2 379 . 2 2 38 38 GLU H H 1 8.110 0.000 . 1 . . . . . . . . 5788 2 380 . 2 2 38 38 GLU HA H 1 4.330 0.000 . 1 . . . . . . . . 5788 2 381 . 2 2 38 38 GLU HB2 H 1 2.020 0.000 . 2 . . . . . . . . 5788 2 382 . 2 2 38 38 GLU HB3 H 1 1.930 0.000 . 2 . . . . . . . . 5788 2 383 . 2 2 38 38 GLU HG2 H 1 2.200 0.000 . 1 . . . . . . . . 5788 2 384 . 2 2 38 38 GLU C C 13 176.070 0.000 . 1 . . . . . . . . 5788 2 385 . 2 2 38 38 GLU CA C 13 55.738 0.000 . 1 . . . . . . . . 5788 2 386 . 2 2 38 38 GLU CB C 13 30.010 0.000 . 1 . . . . . . . . 5788 2 387 . 2 2 38 38 GLU CG C 13 35.970 0.000 . 1 . . . . . . . . 5788 2 388 . 2 2 38 38 GLU N N 15 119.930 0.000 . 1 . . . . . . . . 5788 2 389 . 2 2 39 39 VAL H H 1 8.150 0.000 . 1 . . . . . . . . 5788 2 390 . 2 2 39 39 VAL HA H 1 4.100 0.000 . 1 . . . . . . . . 5788 2 391 . 2 2 39 39 VAL HB H 1 2.050 0.000 . 1 . . . . . . . . 5788 2 392 . 2 2 39 39 VAL HG11 H 1 0.930 0.000 . 2 . . . . . . . . 5788 2 393 . 2 2 39 39 VAL HG12 H 1 0.930 0.000 . 2 . . . . . . . . 5788 2 394 . 2 2 39 39 VAL HG13 H 1 0.930 0.000 . 2 . . . . . . . . 5788 2 395 . 2 2 39 39 VAL HG21 H 1 0.910 0.000 . 2 . . . . . . . . 5788 2 396 . 2 2 39 39 VAL HG22 H 1 0.910 0.000 . 2 . . . . . . . . 5788 2 397 . 2 2 39 39 VAL HG23 H 1 0.910 0.000 . 2 . . . . . . . . 5788 2 398 . 2 2 39 39 VAL C C 13 175.990 0.000 . 1 . . . . . . . . 5788 2 399 . 2 2 39 39 VAL CA C 13 62.078 0.000 . 1 . . . . . . . . 5788 2 400 . 2 2 39 39 VAL CB C 13 32.620 0.000 . 1 . . . . . . . . 5788 2 401 . 2 2 39 39 VAL CG1 C 13 20.690 0.000 . 1 . . . . . . . . 5788 2 402 . 2 2 39 39 VAL CG2 C 13 21.430 0.000 . 1 . . . . . . . . 5788 2 403 . 2 2 39 39 VAL N N 15 121.660 0.000 . 1 . . . . . . . . 5788 2 404 . 2 2 40 40 ARG H H 1 8.520 0.000 . 1 . . . . . . . . 5788 2 405 . 2 2 40 40 ARG HA H 1 4.360 0.000 . 1 . . . . . . . . 5788 2 406 . 2 2 40 40 ARG HB2 H 1 1.750 0.000 . 1 . . . . . . . . 5788 2 407 . 2 2 40 40 ARG HG2 H 1 1.600 0.000 . 1 . . . . . . . . 5788 2 408 . 2 2 40 40 ARG HD2 H 1 3.180 0.000 . 1 . . . . . . . . 5788 2 409 . 2 2 40 40 ARG C C 13 175.750 0.000 . 1 . . . . . . . . 5788 2 410 . 2 2 40 40 ARG CA C 13 54.988 0.000 . 1 . . . . . . . . 5788 2 411 . 2 2 40 40 ARG CB C 13 31.130 0.000 . 1 . . . . . . . . 5788 2 412 . 2 2 40 40 ARG CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 2 413 . 2 2 40 40 ARG CD C 13 43.430 0.000 . 1 . . . . . . . . 5788 2 414 . 2 2 40 40 ARG N N 15 125.550 0.000 . 1 . . . . . . . . 5788 2 415 . 2 2 41 41 GLN H H 1 8.570 0.000 . 1 . . . . . . . . 5788 2 416 . 2 2 41 41 GLN HA H 1 4.250 0.000 . 1 . . . . . . . . 5788 2 417 . 2 2 41 41 GLN HB2 H 1 2.000 0.000 . 2 . . . . . . . . 5788 2 418 . 2 2 41 41 GLN HB3 H 1 1.930 0.000 . 2 . . . . . . . . 5788 2 419 . 2 2 41 41 GLN HG2 H 1 2.310 0.000 . 1 . . . . . . . . 5788 2 420 . 2 2 41 41 GLN C C 13 175.130 0.000 . 1 . . . . . . . . 5788 2 421 . 2 2 41 41 GLN CA C 13 54.988 0.000 . 1 . . . . . . . . 5788 2 422 . 2 2 41 41 GLN CB C 13 29.260 0.000 . 1 . . . . . . . . 5788 2 423 . 2 2 41 41 GLN CG C 13 33.740 0.000 . 1 . . . . . . . . 5788 2 424 . 2 2 41 41 GLN N N 15 123.170 0.000 . 1 . . . . . . . . 5788 2 425 . 2 2 42 42 CYS H H 1 8.570 0.000 . 1 . . . . . . . . 5788 2 426 . 2 2 42 42 CYS HA H 1 4.270 0.000 . 1 . . . . . . . . 5788 2 427 . 2 2 42 42 CYS HB2 H 1 2.800 0.000 . 1 . . . . . . . . 5788 2 428 . 2 2 42 42 CYS C C 13 174.780 0.000 . 1 . . . . . . . . 5788 2 429 . 2 2 42 42 CYS CA C 13 59.838 0.000 . 1 . . . . . . . . 5788 2 430 . 2 2 42 42 CYS CB C 13 30.010 0.000 . 1 . . . . . . . . 5788 2 431 . 2 2 42 42 CYS N N 15 125.980 0.000 . 1 . . . . . . . . 5788 2 432 . 2 2 43 43 ASN H H 1 8.710 0.000 . 1 . . . . . . . . 5788 2 433 . 2 2 43 43 ASN HA H 1 4.820 0.000 . 1 . . . . . . . . 5788 2 434 . 2 2 43 43 ASN HB2 H 1 2.820 0.000 . 1 . . . . . . . . 5788 2 435 . 2 2 43 43 ASN CA C 13 53.868 0.000 . 1 . . . . . . . . 5788 2 436 . 2 2 43 43 ASN CB C 13 38.580 0.000 . 1 . . . . . . . . 5788 2 437 . 2 2 43 43 ASN N N 15 126.410 0.000 . 1 . . . . . . . . 5788 2 438 . 2 2 44 44 LEU HA H 1 4.500 0.000 . 1 . . . . . . . . 5788 2 439 . 2 2 44 44 LEU HB2 H 1 1.310 0.000 . 1 . . . . . . . . 5788 2 440 . 2 2 44 44 LEU HG H 1 1.550 0.000 . 1 . . . . . . . . 5788 2 441 . 2 2 44 44 LEU HD11 H 1 0.390 0.000 . 2 . . . . . . . . 5788 2 442 . 2 2 44 44 LEU HD12 H 1 0.390 0.000 . 2 . . . . . . . . 5788 2 443 . 2 2 44 44 LEU HD13 H 1 0.390 0.000 . 2 . . . . . . . . 5788 2 444 . 2 2 44 44 LEU HD21 H 1 0.410 0.000 . 2 . . . . . . . . 5788 2 445 . 2 2 44 44 LEU HD22 H 1 0.410 0.000 . 2 . . . . . . . . 5788 2 446 . 2 2 44 44 LEU HD23 H 1 0.410 0.000 . 2 . . . . . . . . 5788 2 447 . 2 2 44 44 LEU CA C 13 53.498 0.000 . 1 . . . . . . . . 5788 2 448 . 2 2 44 44 LEU CB C 13 41.190 0.000 . 1 . . . . . . . . 5788 2 449 . 2 2 44 44 LEU CG C 13 26.650 0.000 . 1 . . . . . . . . 5788 2 450 . 2 2 44 44 LEU CD1 C 13 24.040 0.000 . 1 . . . . . . . . 5788 2 451 . 2 2 44 44 LEU CD2 C 13 23.670 0.000 . 1 . . . . . . . . 5788 2 452 . 2 2 47 47 CYS HA H 1 4.040 0.000 . 1 . . . . . . . . 5788 2 453 . 2 2 47 47 CYS HB2 H 1 3.150 0.000 . 2 . . . . . . . . 5788 2 454 . 2 2 47 47 CYS HB3 H 1 2.770 0.000 . 2 . . . . . . . . 5788 2 455 . 2 2 47 47 CYS C C 13 176.760 0.000 . 1 . . . . . . . . 5788 2 456 . 2 2 47 47 CYS CA C 13 63.938 0.000 . 1 . . . . . . . . 5788 2 457 . 2 2 47 47 CYS CB C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 458 . 2 2 48 48 ARG H H 1 8.270 0.000 . 1 . . . . . . . . 5788 2 459 . 2 2 48 48 ARG HA H 1 3.920 0.000 . 1 . . . . . . . . 5788 2 460 . 2 2 48 48 ARG HB2 H 1 2.000 0.000 . 1 . . . . . . . . 5788 2 461 . 2 2 48 48 ARG HG2 H 1 1.780 0.000 . 2 . . . . . . . . 5788 2 462 . 2 2 48 48 ARG HG3 H 1 1.730 0.000 . 2 . . . . . . . . 5788 2 463 . 2 2 48 48 ARG HD2 H 1 3.300 0.000 . 2 . . . . . . . . 5788 2 464 . 2 2 48 48 ARG HD3 H 1 3.260 0.000 . 2 . . . . . . . . 5788 2 465 . 2 2 48 48 ARG C C 13 178.470 0.000 . 1 . . . . . . . . 5788 2 466 . 2 2 48 48 ARG CA C 13 59.088 0.000 . 1 . . . . . . . . 5788 2 467 . 2 2 48 48 ARG CB C 13 28.520 0.000 . 1 . . . . . . . . 5788 2 468 . 2 2 48 48 ARG CG C 13 26.280 0.000 . 1 . . . . . . . . 5788 2 469 . 2 2 48 48 ARG CD C 13 42.690 0.000 . 1 . . . . . . . . 5788 2 470 . 2 2 49 49 THR H H 1 7.500 0.000 . 1 . . . . . . . . 5788 2 471 . 2 2 49 49 THR HA H 1 3.960 0.000 . 1 . . . . . . . . 5788 2 472 . 2 2 49 49 THR HB H 1 4.340 0.000 . 1 . . . . . . . . 5788 2 473 . 2 2 49 49 THR HG21 H 1 1.260 0.000 . 1 . . . . . . . . 5788 2 474 . 2 2 49 49 THR HG22 H 1 1.260 0.000 . 1 . . . . . . . . 5788 2 475 . 2 2 49 49 THR HG23 H 1 1.260 0.000 . 1 . . . . . . . . 5788 2 476 . 2 2 49 49 THR CA C 13 65.808 0.000 . 1 . . . . . . . . 5788 2 477 . 2 2 49 49 THR CB C 13 68.418 0.000 . 1 . . . . . . . . 5788 2 478 . 2 2 49 49 THR CG2 C 13 21.800 0.000 . 1 . . . . . . . . 5788 2 479 . 2 2 49 49 THR N N 15 114.320 0.000 . 1 . . . . . . . . 5788 2 480 . 2 2 50 50 MET H H 1 7.890 0.000 . 1 . . . . . . . . 5788 2 481 . 2 2 50 50 MET HA H 1 4.510 0.000 . 1 . . . . . . . . 5788 2 482 . 2 2 50 50 MET HB2 H 1 2.240 0.000 . 2 . . . . . . . . 5788 2 483 . 2 2 50 50 MET HB3 H 1 1.890 0.000 . 2 . . . . . . . . 5788 2 484 . 2 2 50 50 MET HG2 H 1 2.620 0.000 . 2 . . . . . . . . 5788 2 485 . 2 2 50 50 MET HG3 H 1 2.450 0.000 . 2 . . . . . . . . 5788 2 486 . 2 2 50 50 MET HE1 H 1 1.700 0.000 . 1 . . . . . . . . 5788 2 487 . 2 2 50 50 MET HE2 H 1 1.700 0.000 . 1 . . . . . . . . 5788 2 488 . 2 2 50 50 MET HE3 H 1 1.700 0.000 . 1 . . . . . . . . 5788 2 489 . 2 2 50 50 MET C C 13 178.630 0.000 . 1 . . . . . . . . 5788 2 490 . 2 2 50 50 MET CA C 13 56.478 0.000 . 1 . . . . . . . . 5788 2 491 . 2 2 50 50 MET CB C 13 31.870 0.000 . 1 . . . . . . . . 5788 2 492 . 2 2 50 50 MET CG C 13 34.110 0.000 . 1 . . . . . . . . 5788 2 493 . 2 2 50 50 MET CE C 13 18.080 0.000 . 1 . . . . . . . . 5788 2 494 . 2 2 51 51 LYS H H 1 9.260 0.000 . 1 . . . . . . . . 5788 2 495 . 2 2 51 51 LYS HA H 1 3.860 0.000 . 1 . . . . . . . . 5788 2 496 . 2 2 51 51 LYS HB2 H 1 2.080 0.000 . 2 . . . . . . . . 5788 2 497 . 2 2 51 51 LYS HB3 H 1 1.820 0.000 . 2 . . . . . . . . 5788 2 498 . 2 2 51 51 LYS HG2 H 1 2.060 0.000 . 2 . . . . . . . . 5788 2 499 . 2 2 51 51 LYS HG3 H 1 1.190 0.000 . 2 . . . . . . . . 5788 2 500 . 2 2 51 51 LYS HD2 H 1 1.690 0.000 . 2 . . . . . . . . 5788 2 501 . 2 2 51 51 LYS HD3 H 1 1.570 0.000 . 2 . . . . . . . . 5788 2 502 . 2 2 51 51 LYS HE2 H 1 3.250 0.000 . 2 . . . . . . . . 5788 2 503 . 2 2 51 51 LYS C C 13 179.020 0.000 . 1 . . . . . . . . 5788 2 504 . 2 2 51 51 LYS CA C 13 60.958 0.000 . 1 . . . . . . . . 5788 2 505 . 2 2 51 51 LYS N N 15 122.530 0.000 . 1 . . . . . . . . 5788 2 506 . 2 2 52 52 ASN H H 1 8.110 0.000 . 1 . . . . . . . . 5788 2 507 . 2 2 52 52 ASN HA H 1 4.590 0.000 . 1 . . . . . . . . 5788 2 508 . 2 2 52 52 ASN HB2 H 1 3.200 0.000 . 2 . . . . . . . . 5788 2 509 . 2 2 52 52 ASN HB3 H 1 2.950 0.000 . 2 . . . . . . . . 5788 2 510 . 2 2 52 52 ASN C C 13 179.170 0.000 . 1 . . . . . . . . 5788 2 511 . 2 2 52 52 ASN CA C 13 55.738 0.000 . 1 . . . . . . . . 5788 2 512 . 2 2 52 52 ASN CB C 13 37.090 0.000 . 1 . . . . . . . . 5788 2 513 . 2 2 52 52 ASN N N 15 117.340 0.000 . 1 . . . . . . . . 5788 2 514 . 2 2 53 53 VAL H H 1 8.090 0.000 . 1 . . . . . . . . 5788 2 515 . 2 2 53 53 VAL HA H 1 3.780 0.000 . 1 . . . . . . . . 5788 2 516 . 2 2 53 53 VAL HB H 1 2.440 0.000 . 1 . . . . . . . . 5788 2 517 . 2 2 53 53 VAL HG11 H 1 1.010 0.000 . 2 . . . . . . . . 5788 2 518 . 2 2 53 53 VAL HG12 H 1 1.010 0.000 . 2 . . . . . . . . 5788 2 519 . 2 2 53 53 VAL HG13 H 1 1.010 0.000 . 2 . . . . . . . . 5788 2 520 . 2 2 53 53 VAL HG21 H 1 1.250 0.000 . 2 . . . . . . . . 5788 2 521 . 2 2 53 53 VAL HG22 H 1 1.250 0.000 . 2 . . . . . . . . 5788 2 522 . 2 2 53 53 VAL HG23 H 1 1.250 0.000 . 2 . . . . . . . . 5788 2 523 . 2 2 53 53 VAL C C 13 177.800 0.000 . 1 . . . . . . . . 5788 2 524 . 2 2 53 53 VAL CA C 13 66.918 0.000 . 1 . . . . . . . . 5788 2 525 . 2 2 53 53 VAL CB C 13 31.500 0.000 . 1 . . . . . . . . 5788 2 526 . 2 2 53 53 VAL CG1 C 13 21.060 0.000 . 1 . . . . . . . . 5788 2 527 . 2 2 53 53 VAL CG2 C 13 23.670 0.000 . 1 . . . . . . . . 5788 2 528 . 2 2 53 53 VAL N N 15 124.040 0.000 . 1 . . . . . . . . 5788 2 529 . 2 2 54 54 LEU H H 1 8.700 0.000 . 1 . . . . . . . . 5788 2 530 . 2 2 54 54 LEU HA H 1 4.100 0.000 . 1 . . . . . . . . 5788 2 531 . 2 2 54 54 LEU HB2 H 1 2.050 0.000 . 2 . . . . . . . . 5788 2 532 . 2 2 54 54 LEU HB3 H 1 1.600 0.000 . 2 . . . . . . . . 5788 2 533 . 2 2 54 54 LEU HG H 1 1.850 0.000 . 1 . . . . . . . . 5788 2 534 . 2 2 54 54 LEU HD11 H 1 0.890 0.000 . 1 . . . . . . . . 5788 2 535 . 2 2 54 54 LEU HD12 H 1 0.890 0.000 . 1 . . . . . . . . 5788 2 536 . 2 2 54 54 LEU HD13 H 1 0.890 0.000 . 1 . . . . . . . . 5788 2 537 . 2 2 54 54 LEU HD21 H 1 0.890 0.000 . 1 . . . . . . . . 5788 2 538 . 2 2 54 54 LEU HD22 H 1 0.890 0.000 . 1 . . . . . . . . 5788 2 539 . 2 2 54 54 LEU HD23 H 1 0.890 0.000 . 1 . . . . . . . . 5788 2 540 . 2 2 54 54 LEU C C 13 179.790 0.000 . 1 . . . . . . . . 5788 2 541 . 2 2 54 54 LEU CA C 13 57.968 0.000 . 1 . . . . . . . . 5788 2 542 . 2 2 54 54 LEU CB C 13 41.570 0.000 . 1 . . . . . . . . 5788 2 543 . 2 2 54 54 LEU CG C 13 26.650 0.000 . 1 . . . . . . . . 5788 2 544 . 2 2 54 54 LEU CD1 C 13 25.910 0.000 . 1 . . . . . . . . 5788 2 545 . 2 2 54 54 LEU CD2 C 13 23.300 0.000 . 1 . . . . . . . . 5788 2 546 . 2 2 54 54 LEU N N 15 121.450 0.000 . 1 . . . . . . . . 5788 2 547 . 2 2 55 55 ASN H H 1 8.230 0.000 . 1 . . . . . . . . 5788 2 548 . 2 2 55 55 ASN HA H 1 4.530 0.000 . 1 . . . . . . . . 5788 2 549 . 2 2 55 55 ASN HB2 H 1 2.960 0.000 . 1 . . . . . . . . 5788 2 550 . 2 2 55 55 ASN C C 13 178.090 0.000 . 1 . . . . . . . . 5788 2 551 . 2 2 55 55 ASN CA C 13 55.738 0.000 . 1 . . . . . . . . 5788 2 552 . 2 2 55 55 ASN CB C 13 38.210 0.000 . 1 . . . . . . . . 5788 2 553 . 2 2 55 55 ASN N N 15 116.910 0.000 . 1 . . . . . . . . 5788 2 554 . 2 2 56 56 HIS H H 1 8.170 0.000 . 1 . . . . . . . . 5788 2 555 . 2 2 56 56 HIS HA H 1 4.370 0.000 . 1 . . . . . . . . 5788 2 556 . 2 2 56 56 HIS HB2 H 1 3.640 0.000 . 2 . . . . . . . . 5788 2 557 . 2 2 56 56 HIS HB3 H 1 3.420 0.000 . 2 . . . . . . . . 5788 2 558 . 2 2 56 56 HIS HD2 H 1 7.330 0.000 . 1 . . . . . . . . 5788 2 559 . 2 2 56 56 HIS HE1 H 1 8.030 0.000 . 1 . . . . . . . . 5788 2 560 . 2 2 56 56 HIS C C 13 177.540 0.000 . 1 . . . . . . . . 5788 2 561 . 2 2 56 56 HIS CA C 13 59.468 0.000 . 1 . . . . . . . . 5788 2 562 . 2 2 56 56 HIS CB C 13 27.400 0.000 . 1 . . . . . . . . 5788 2 563 . 2 2 56 56 HIS N N 15 120.800 0.000 . 1 . . . . . . . . 5788 2 564 . 2 2 57 57 MET H H 1 9.160 0.000 . 1 . . . . . . . . 5788 2 565 . 2 2 57 57 MET HA H 1 3.720 0.000 . 1 . . . . . . . . 5788 2 566 . 2 2 57 57 MET HB2 H 1 2.440 0.000 . 2 . . . . . . . . 5788 2 567 . 2 2 57 57 MET HB3 H 1 2.180 0.000 . 2 . . . . . . . . 5788 2 568 . 2 2 57 57 MET HG2 H 1 2.960 0.000 . 1 . . . . . . . . 5788 2 569 . 2 2 57 57 MET HE1 H 1 2.000 0.000 . 1 . . . . . . . . 5788 2 570 . 2 2 57 57 MET HE2 H 1 2.000 0.000 . 1 . . . . . . . . 5788 2 571 . 2 2 57 57 MET HE3 H 1 2.000 0.000 . 1 . . . . . . . . 5788 2 572 . 2 2 57 57 MET C C 13 178.090 0.000 . 1 . . . . . . . . 5788 2 573 . 2 2 57 57 MET CA C 13 59.088 0.000 . 1 . . . . . . . . 5788 2 574 . 2 2 57 57 MET CB C 13 34.110 0.000 . 1 . . . . . . . . 5788 2 575 . 2 2 57 57 MET CG C 13 31.870 0.000 . 1 . . . . . . . . 5788 2 576 . 2 2 57 57 MET CE C 13 16.580 0.000 . 1 . . . . . . . . 5788 2 577 . 2 2 57 57 MET N N 15 119.290 0.000 . 1 . . . . . . . . 5788 2 578 . 2 2 58 58 THR H H 1 7.540 0.000 . 1 . . . . . . . . 5788 2 579 . 2 2 58 58 THR HA H 1 3.940 0.000 . 1 . . . . . . . . 5788 2 580 . 2 2 58 58 THR HB H 1 4.060 0.000 . 1 . . . . . . . . 5788 2 581 . 2 2 58 58 THR HG21 H 1 1.170 0.000 . 1 . . . . . . . . 5788 2 582 . 2 2 58 58 THR HG22 H 1 1.170 0.000 . 1 . . . . . . . . 5788 2 583 . 2 2 58 58 THR HG23 H 1 1.170 0.000 . 1 . . . . . . . . 5788 2 584 . 2 2 58 58 THR C C 13 174.750 0.000 . 1 . . . . . . . . 5788 2 585 . 2 2 58 58 THR CA C 13 64.688 0.000 . 1 . . . . . . . . 5788 2 586 . 2 2 58 58 THR CB C 13 68.788 0.000 . 1 . . . . . . . . 5788 2 587 . 2 2 58 58 THR CG2 C 13 21.800 0.000 . 1 . . . . . . . . 5788 2 588 . 2 2 58 58 THR N N 15 110.220 0.000 . 1 . . . . . . . . 5788 2 589 . 2 2 59 59 HIS H H 1 7.120 0.000 . 1 . . . . . . . . 5788 2 590 . 2 2 59 59 HIS HA H 1 4.870 0.000 . 1 . . . . . . . . 5788 2 591 . 2 2 59 59 HIS HB2 H 1 3.410 0.000 . 2 . . . . . . . . 5788 2 592 . 2 2 59 59 HIS HB3 H 1 3.080 0.000 . 2 . . . . . . . . 5788 2 593 . 2 2 59 59 HIS C C 13 173.190 0.000 . 1 . . . . . . . . 5788 2 594 . 2 2 59 59 HIS CA C 13 54.248 0.000 . 1 . . . . . . . . 5788 2 595 . 2 2 59 59 HIS CB C 13 29.640 0.000 . 1 . . . . . . . . 5788 2 596 . 2 2 59 59 HIS N N 15 115.400 0.000 . 1 . . . . . . . . 5788 2 597 . 2 2 60 60 CYS H H 1 7.120 0.000 . 1 . . . . . . . . 5788 2 598 . 2 2 60 60 CYS HA H 1 4.080 0.000 . 1 . . . . . . . . 5788 2 599 . 2 2 60 60 CYS HB2 H 1 2.520 0.000 . 2 . . . . . . . . 5788 2 600 . 2 2 60 60 CYS HB3 H 1 1.970 0.000 . 2 . . . . . . . . 5788 2 601 . 2 2 60 60 CYS C C 13 176.690 0.000 . 1 . . . . . . . . 5788 2 602 . 2 2 60 60 CYS CA C 13 60.588 0.000 . 1 . . . . . . . . 5788 2 603 . 2 2 60 60 CYS CB C 13 29.640 0.000 . 1 . . . . . . . . 5788 2 604 . 2 2 60 60 CYS N N 15 124.040 0.000 . 1 . . . . . . . . 5788 2 605 . 2 2 61 61 GLN H H 1 9.140 0.000 . 1 . . . . . . . . 5788 2 606 . 2 2 61 61 GLN HA H 1 4.720 0.000 . 1 . . . . . . . . 5788 2 607 . 2 2 61 61 GLN HB2 H 1 2.470 0.000 . 2 . . . . . . . . 5788 2 608 . 2 2 61 61 GLN HB3 H 1 1.920 0.000 . 2 . . . . . . . . 5788 2 609 . 2 2 61 61 GLN HG2 H 1 2.420 0.000 . 1 . . . . . . . . 5788 2 610 . 2 2 61 61 GLN C C 13 176.760 0.000 . 1 . . . . . . . . 5788 2 611 . 2 2 61 61 GLN CA C 13 54.988 0.000 . 1 . . . . . . . . 5788 2 612 . 2 2 61 61 GLN CB C 13 29.260 0.000 . 1 . . . . . . . . 5788 2 613 . 2 2 61 61 GLN CG C 13 33.740 0.000 . 1 . . . . . . . . 5788 2 614 . 2 2 61 61 GLN N N 15 128.790 0.000 . 1 . . . . . . . . 5788 2 615 . 2 2 62 62 SER H H 1 8.810 0.000 . 1 . . . . . . . . 5788 2 616 . 2 2 62 62 SER HA H 1 4.520 0.000 . 1 . . . . . . . . 5788 2 617 . 2 2 62 62 SER HB2 H 1 3.840 0.000 . 2 . . . . . . . . 5788 2 618 . 2 2 62 62 SER HB3 H 1 3.770 0.000 . 2 . . . . . . . . 5788 2 619 . 2 2 62 62 SER C C 13 174.590 0.000 . 1 . . . . . . . . 5788 2 620 . 2 2 62 62 SER CA C 13 59.838 0.000 . 1 . . . . . . . . 5788 2 621 . 2 2 62 62 SER CB C 13 63.198 0.000 . 1 . . . . . . . . 5788 2 622 . 2 2 62 62 SER N N 15 118.640 0.000 . 1 . . . . . . . . 5788 2 623 . 2 2 63 63 GLY H H 1 8.280 0.000 . 1 . . . . . . . . 5788 2 624 . 2 2 63 63 GLY HA2 H 1 3.960 0.000 . 1 . . . . . . . . 5788 2 625 . 2 2 63 63 GLY HA3 H 1 3.620 0.000 . 1 . . . . . . . . 5788 2 626 . 2 2 63 63 GLY C C 13 176.220 0.000 . 1 . . . . . . . . 5788 2 627 . 2 2 63 63 GLY CA C 13 46.040 0.000 . 1 . . . . . . . . 5788 2 628 . 2 2 63 63 GLY N N 15 110.430 0.000 . 1 . . . . . . . . 5788 2 629 . 2 2 64 64 LYS H H 1 8.970 0.000 . 1 . . . . . . . . 5788 2 630 . 2 2 64 64 LYS HA H 1 4.090 0.000 . 1 . . . . . . . . 5788 2 631 . 2 2 64 64 LYS HB2 H 1 1.890 0.000 . 1 . . . . . . . . 5788 2 632 . 2 2 64 64 LYS HG2 H 1 1.480 0.000 . 1 . . . . . . . . 5788 2 633 . 2 2 64 64 LYS HD2 H 1 1.710 0.000 . 1 . . . . . . . . 5788 2 634 . 2 2 64 64 LYS HE2 H 1 3.000 0.000 . 1 . . . . . . . . 5788 2 635 . 2 2 64 64 LYS C C 13 176.500 0.000 . 1 . . . . . . . . 5788 2 636 . 2 2 64 64 LYS CA C 13 58.348 0.000 . 1 . . . . . . . . 5788 2 637 . 2 2 64 64 LYS CB C 13 32.240 0.000 . 1 . . . . . . . . 5788 2 638 . 2 2 64 64 LYS CG C 13 25.160 0.000 . 1 . . . . . . . . 5788 2 639 . 2 2 64 64 LYS CD C 13 29.640 0.000 . 1 . . . . . . . . 5788 2 640 . 2 2 64 64 LYS CE C 13 41.940 0.000 . 1 . . . . . . . . 5788 2 641 . 2 2 64 64 LYS N N 15 125.330 0.000 . 1 . . . . . . . . 5788 2 642 . 2 2 65 65 SER H H 1 7.860 0.000 . 1 . . . . . . . . 5788 2 643 . 2 2 65 65 SER HA H 1 4.560 0.000 . 1 . . . . . . . . 5788 2 644 . 2 2 65 65 SER HB2 H 1 4.000 0.000 . 1 . . . . . . . . 5788 2 645 . 2 2 65 65 SER C C 13 173.740 0.000 . 1 . . . . . . . . 5788 2 646 . 2 2 65 65 SER CA C 13 57.968 0.000 . 1 . . . . . . . . 5788 2 647 . 2 2 65 65 SER CB C 13 63.198 0.000 . 1 . . . . . . . . 5788 2 648 . 2 2 65 65 SER N N 15 112.810 0.000 . 1 . . . . . . . . 5788 2 649 . 2 2 66 66 CYS H H 1 7.500 0.000 . 1 . . . . . . . . 5788 2 650 . 2 2 66 66 CYS HA H 1 3.960 0.000 . 1 . . . . . . . . 5788 2 651 . 2 2 66 66 CYS HB2 H 1 2.880 0.000 . 2 . . . . . . . . 5788 2 652 . 2 2 66 66 CYS HB3 H 1 2.750 0.000 . 2 . . . . . . . . 5788 2 653 . 2 2 66 66 CYS C C 13 177.070 0.000 . 1 . . . . . . . . 5788 2 654 . 2 2 66 66 CYS CA C 13 61.698 0.000 . 1 . . . . . . . . 5788 2 655 . 2 2 66 66 CYS CB C 13 29.640 0.000 . 1 . . . . . . . . 5788 2 656 . 2 2 66 66 CYS N N 15 124.250 0.000 . 1 . . . . . . . . 5788 2 657 . 2 2 67 67 GLN H H 1 9.090 0.000 . 1 . . . . . . . . 5788 2 658 . 2 2 67 67 GLN HA H 1 4.540 0.000 . 1 . . . . . . . . 5788 2 659 . 2 2 67 67 GLN HB2 H 1 1.930 0.000 . 1 . . . . . . . . 5788 2 660 . 2 2 67 67 GLN HG2 H 1 2.460 0.000 . 1 . . . . . . . . 5788 2 661 . 2 2 67 67 GLN C C 13 175.830 0.000 . 1 . . . . . . . . 5788 2 662 . 2 2 67 67 GLN CA C 13 55.358 0.000 . 1 . . . . . . . . 5788 2 663 . 2 2 67 67 GLN CB C 13 29.260 0.000 . 1 . . . . . . . . 5788 2 664 . 2 2 67 67 GLN CG C 13 34.110 0.000 . 1 . . . . . . . . 5788 2 665 . 2 2 67 67 GLN N N 15 129.220 0.000 . 1 . . . . . . . . 5788 2 666 . 2 2 68 68 VAL H H 1 9.270 0.000 . 1 . . . . . . . . 5788 2 667 . 2 2 68 68 VAL HA H 1 3.690 0.000 . 1 . . . . . . . . 5788 2 668 . 2 2 68 68 VAL HB H 1 1.940 0.000 . 1 . . . . . . . . 5788 2 669 . 2 2 68 68 VAL HG11 H 1 0.470 0.000 . 2 . . . . . . . . 5788 2 670 . 2 2 68 68 VAL HG12 H 1 0.470 0.000 . 2 . . . . . . . . 5788 2 671 . 2 2 68 68 VAL HG13 H 1 0.470 0.000 . 2 . . . . . . . . 5788 2 672 . 2 2 68 68 VAL HG21 H 1 0.640 0.000 . 2 . . . . . . . . 5788 2 673 . 2 2 68 68 VAL HG22 H 1 0.640 0.000 . 2 . . . . . . . . 5788 2 674 . 2 2 68 68 VAL HG23 H 1 0.640 0.000 . 2 . . . . . . . . 5788 2 675 . 2 2 68 68 VAL C C 13 176.920 0.000 . 1 . . . . . . . . 5788 2 676 . 2 2 68 68 VAL CA C 13 63.938 0.000 . 1 . . . . . . . . 5788 2 677 . 2 2 68 68 VAL CB C 13 30.750 0.000 . 1 . . . . . . . . 5788 2 678 . 2 2 68 68 VAL CG1 C 13 19.940 0.000 . 1 . . . . . . . . 5788 2 679 . 2 2 68 68 VAL CG2 C 13 22.550 0.000 . 1 . . . . . . . . 5788 2 680 . 2 2 68 68 VAL N N 15 127.060 0.000 . 1 . . . . . . . . 5788 2 681 . 2 2 69 69 ALA H H 1 8.660 0.000 . 1 . . . . . . . . 5788 2 682 . 2 2 69 69 ALA HA H 1 3.690 0.000 . 1 . . . . . . . . 5788 2 683 . 2 2 69 69 ALA HB1 H 1 0.930 0.000 . 1 . . . . . . . . 5788 2 684 . 2 2 69 69 ALA HB2 H 1 0.930 0.000 . 1 . . . . . . . . 5788 2 685 . 2 2 69 69 ALA HB3 H 1 0.930 0.000 . 1 . . . . . . . . 5788 2 686 . 2 2 69 69 ALA CA C 13 53.868 0.000 . 1 . . . . . . . . 5788 2 687 . 2 2 69 69 ALA CB C 13 17.700 0.000 . 1 . . . . . . . . 5788 2 688 . 2 2 69 69 ALA N N 15 106.550 0.000 . 1 . . . . . . . . 5788 2 689 . 2 2 70 70 HIS H H 1 8.020 0.000 . 1 . . . . . . . . 5788 2 690 . 2 2 70 70 HIS HA H 1 4.400 0.000 . 1 . . . . . . . . 5788 2 691 . 2 2 70 70 HIS HB2 H 1 3.680 0.000 . 2 . . . . . . . . 5788 2 692 . 2 2 70 70 HIS HB3 H 1 2.880 0.000 . 2 . . . . . . . . 5788 2 693 . 2 2 70 70 HIS C C 13 175.750 0.000 . 1 . . . . . . . . 5788 2 694 . 2 2 70 70 HIS CA C 13 56.478 0.000 . 1 . . . . . . . . 5788 2 695 . 2 2 70 70 HIS CB C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 696 . 2 2 71 71 CYS H H 1 8.050 0.000 . 1 . . . . . . . . 5788 2 697 . 2 2 71 71 CYS HA H 1 4.130 0.000 . 1 . . . . . . . . 5788 2 698 . 2 2 71 71 CYS HB2 H 1 3.320 0.000 . 2 . . . . . . . . 5788 2 699 . 2 2 71 71 CYS HB3 H 1 2.550 0.000 . 2 . . . . . . . . 5788 2 700 . 2 2 71 71 CYS C C 13 175.370 0.000 . 1 . . . . . . . . 5788 2 701 . 2 2 71 71 CYS CA C 13 63.938 0.000 . 1 . . . . . . . . 5788 2 702 . 2 2 71 71 CYS CB C 13 30.010 0.000 . 1 . . . . . . . . 5788 2 703 . 2 2 71 71 CYS N N 15 126.840 0.000 . 1 . . . . . . . . 5788 2 704 . 2 2 72 72 ALA H H 1 8.880 0.000 . 1 . . . . . . . . 5788 2 705 . 2 2 72 72 ALA HA H 1 4.190 0.000 . 1 . . . . . . . . 5788 2 706 . 2 2 72 72 ALA HB1 H 1 1.310 0.000 . 1 . . . . . . . . 5788 2 707 . 2 2 72 72 ALA HB2 H 1 1.310 0.000 . 1 . . . . . . . . 5788 2 708 . 2 2 72 72 ALA HB3 H 1 1.310 0.000 . 1 . . . . . . . . 5788 2 709 . 2 2 72 72 ALA C C 13 182.120 0.000 . 1 . . . . . . . . 5788 2 710 . 2 2 72 72 ALA CA C 13 54.988 0.000 . 1 . . . . . . . . 5788 2 711 . 2 2 72 72 ALA CB C 13 17.330 0.000 . 1 . . . . . . . . 5788 2 712 . 2 2 72 72 ALA N N 15 119.290 0.000 . 1 . . . . . . . . 5788 2 713 . 2 2 73 73 SER H H 1 9.320 0.000 . 1 . . . . . . . . 5788 2 714 . 2 2 73 73 SER HA H 1 4.170 0.000 . 1 . . . . . . . . 5788 2 715 . 2 2 73 73 SER HB2 H 1 4.060 0.000 . 1 . . . . . . . . 5788 2 716 . 2 2 73 73 SER C C 13 175.440 0.000 . 1 . . . . . . . . 5788 2 717 . 2 2 73 73 SER N N 15 114.320 0.000 . 1 . . . . . . . . 5788 2 718 . 2 2 74 74 SER H H 1 7.830 0.000 . 1 . . . . . . . . 5788 2 719 . 2 2 74 74 SER HA H 1 4.060 0.000 . 1 . . . . . . . . 5788 2 720 . 2 2 74 74 SER HB2 H 1 4.460 0.000 . 2 . . . . . . . . 5788 2 721 . 2 2 74 74 SER HB3 H 1 3.610 0.000 . 2 . . . . . . . . 5788 2 722 . 2 2 74 74 SER HG H 1 5.590 0.000 . 1 . . . . . . . . 5788 2 723 . 2 2 74 74 SER C C 13 175.370 0.000 . 1 . . . . . . . . 5788 2 724 . 2 2 74 74 SER CA C 13 63.568 0.000 . 1 . . . . . . . . 5788 2 725 . 2 2 74 74 SER CB C 13 62.078 0.000 . 1 . . . . . . . . 5788 2 726 . 2 2 74 74 SER N N 15 120.800 0.000 . 1 . . . . . . . . 5788 2 727 . 2 2 75 75 ARG H H 1 8.900 0.000 . 1 . . . . . . . . 5788 2 728 . 2 2 75 75 ARG HA H 1 3.820 0.000 . 1 . . . . . . . . 5788 2 729 . 2 2 75 75 ARG HB2 H 1 2.100 0.000 . 2 . . . . . . . . 5788 2 730 . 2 2 75 75 ARG HB3 H 1 2.040 0.000 . 2 . . . . . . . . 5788 2 731 . 2 2 75 75 ARG HG2 H 1 1.860 0.000 . 2 . . . . . . . . 5788 2 732 . 2 2 75 75 ARG HG3 H 1 1.580 0.000 . 2 . . . . . . . . 5788 2 733 . 2 2 75 75 ARG HD2 H 1 3.310 0.000 . 2 . . . . . . . . 5788 2 734 . 2 2 75 75 ARG HD3 H 1 3.110 0.000 . 2 . . . . . . . . 5788 2 735 . 2 2 75 75 ARG C C 13 179.560 0.000 . 1 . . . . . . . . 5788 2 736 . 2 2 75 75 ARG CA C 13 59.838 0.000 . 1 . . . . . . . . 5788 2 737 . 2 2 75 75 ARG CG C 13 27.400 0.000 . 1 . . . . . . . . 5788 2 738 . 2 2 75 75 ARG CD C 13 43.430 0.000 . 1 . . . . . . . . 5788 2 739 . 2 2 75 75 ARG N N 15 122.740 0.000 . 1 . . . . . . . . 5788 2 740 . 2 2 76 76 GLN H H 1 7.890 0.000 . 1 . . . . . . . . 5788 2 741 . 2 2 76 76 GLN HA H 1 4.120 0.000 . 1 . . . . . . . . 5788 2 742 . 2 2 76 76 GLN HB2 H 1 2.180 0.000 . 2 . . . . . . . . 5788 2 743 . 2 2 76 76 GLN HB3 H 1 1.900 0.000 . 2 . . . . . . . . 5788 2 744 . 2 2 76 76 GLN HG2 H 1 2.430 0.000 . 2 . . . . . . . . 5788 2 745 . 2 2 76 76 GLN HG3 H 1 2.320 0.000 . 2 . . . . . . . . 5788 2 746 . 2 2 76 76 GLN C C 13 178.940 0.000 . 1 . . . . . . . . 5788 2 747 . 2 2 76 76 GLN CG C 13 34.480 0.000 . 1 . . . . . . . . 5788 2 748 . 2 2 76 76 GLN N N 15 118.420 0.000 . 1 . . . . . . . . 5788 2 749 . 2 2 77 77 ILE H H 1 8.590 0.000 . 1 . . . . . . . . 5788 2 750 . 2 2 77 77 ILE HA H 1 3.680 0.000 . 1 . . . . . . . . 5788 2 751 . 2 2 77 77 ILE HB H 1 1.880 0.000 . 1 . . . . . . . . 5788 2 752 . 2 2 77 77 ILE HG12 H 1 0.940 0.000 . 1 . . . . . . . . 5788 2 753 . 2 2 77 77 ILE HG13 H 1 0.940 0.000 . 1 . . . . . . . . 5788 2 754 . 2 2 77 77 ILE HG21 H 1 0.900 0.000 . 1 . . . . . . . . 5788 2 755 . 2 2 77 77 ILE HG22 H 1 0.900 0.000 . 1 . . . . . . . . 5788 2 756 . 2 2 77 77 ILE HG23 H 1 0.900 0.000 . 1 . . . . . . . . 5788 2 757 . 2 2 77 77 ILE HD11 H 1 0.830 0.000 . 1 . . . . . . . . 5788 2 758 . 2 2 77 77 ILE HD12 H 1 0.830 0.000 . 1 . . . . . . . . 5788 2 759 . 2 2 77 77 ILE HD13 H 1 0.830 0.000 . 1 . . . . . . . . 5788 2 760 . 2 2 77 77 ILE C C 13 177.460 0.000 . 1 . . . . . . . . 5788 2 761 . 2 2 77 77 ILE CA C 13 66.178 0.000 . 1 . . . . . . . . 5788 2 762 . 2 2 77 77 ILE CB C 13 38.580 0.000 . 1 . . . . . . . . 5788 2 763 . 2 2 77 77 ILE CG1 C 13 30.380 0.000 . 1 . . . . . . . . 5788 2 764 . 2 2 77 77 ILE CG2 C 13 18.820 0.000 . 1 . . . . . . . . 5788 2 765 . 2 2 77 77 ILE CD1 C 13 13.970 0.000 . 1 . . . . . . . . 5788 2 766 . 2 2 77 77 ILE N N 15 121.660 0.000 . 1 . . . . . . . . 5788 2 767 . 2 2 78 78 ILE H H 1 8.860 0.000 . 1 . . . . . . . . 5788 2 768 . 2 2 78 78 ILE HA H 1 3.830 0.000 . 1 . . . . . . . . 5788 2 769 . 2 2 78 78 ILE HB H 1 1.990 0.000 . 1 . . . . . . . . 5788 2 770 . 2 2 78 78 ILE HG12 H 1 1.690 0.000 . 2 . . . . . . . . 5788 2 771 . 2 2 78 78 ILE HG13 H 1 1.150 0.000 . 2 . . . . . . . . 5788 2 772 . 2 2 78 78 ILE HG21 H 1 0.970 0.000 . 1 . . . . . . . . 5788 2 773 . 2 2 78 78 ILE HG22 H 1 0.970 0.000 . 1 . . . . . . . . 5788 2 774 . 2 2 78 78 ILE HG23 H 1 0.970 0.000 . 1 . . . . . . . . 5788 2 775 . 2 2 78 78 ILE HD11 H 1 0.730 0.000 . 1 . . . . . . . . 5788 2 776 . 2 2 78 78 ILE HD12 H 1 0.730 0.000 . 1 . . . . . . . . 5788 2 777 . 2 2 78 78 ILE HD13 H 1 0.730 0.000 . 1 . . . . . . . . 5788 2 778 . 2 2 78 78 ILE C C 13 177.620 0.000 . 1 . . . . . . . . 5788 2 779 . 2 2 78 78 ILE CA C 13 64.308 0.000 . 1 . . . . . . . . 5788 2 780 . 2 2 78 78 ILE CB C 13 37.090 0.000 . 1 . . . . . . . . 5788 2 781 . 2 2 78 78 ILE CG1 C 13 29.260 0.000 . 1 . . . . . . . . 5788 2 782 . 2 2 78 78 ILE CG2 C 13 17.700 0.000 . 1 . . . . . . . . 5788 2 783 . 2 2 78 78 ILE CD1 C 13 12.480 0.000 . 1 . . . . . . . . 5788 2 784 . 2 2 78 78 ILE N N 15 119.930 0.000 . 1 . . . . . . . . 5788 2 785 . 2 2 79 79 SER H H 1 8.040 0.000 . 1 . . . . . . . . 5788 2 786 . 2 2 79 79 SER HA H 1 4.110 0.000 . 1 . . . . . . . . 5788 2 787 . 2 2 79 79 SER HB2 H 1 4.010 0.000 . 2 . . . . . . . . 5788 2 788 . 2 2 79 79 SER HB3 H 1 3.960 0.000 . 2 . . . . . . . . 5788 2 789 . 2 2 79 79 SER C C 13 176.760 0.000 . 1 . . . . . . . . 5788 2 790 . 2 2 79 79 SER CA C 13 61.698 0.000 . 1 . . . . . . . . 5788 2 791 . 2 2 79 79 SER CB C 13 62.448 0.000 . 1 . . . . . . . . 5788 2 792 . 2 2 79 79 SER N N 15 114.320 0.000 . 1 . . . . . . . . 5788 2 793 . 2 2 80 80 HIS H H 1 8.550 0.000 . 1 . . . . . . . . 5788 2 794 . 2 2 80 80 HIS HA H 1 4.060 0.000 . 1 . . . . . . . . 5788 2 795 . 2 2 80 80 HIS HB2 H 1 3.310 0.000 . 2 . . . . . . . . 5788 2 796 . 2 2 80 80 HIS HB3 H 1 2.840 0.000 . 2 . . . . . . . . 5788 2 797 . 2 2 80 80 HIS HD2 H 1 6.590 0.000 . 1 . . . . . . . . 5788 2 798 . 2 2 80 80 HIS HE1 H 1 8.140 0.000 . 1 . . . . . . . . 5788 2 799 . 2 2 80 80 HIS C C 13 177.390 0.000 . 1 . . . . . . . . 5788 2 800 . 2 2 80 80 HIS CA C 13 60.208 0.000 . 1 . . . . . . . . 5788 2 801 . 2 2 80 80 HIS CB C 13 27.770 0.000 . 1 . . . . . . . . 5788 2 802 . 2 2 80 80 HIS N N 15 118.420 0.000 . 1 . . . . . . . . 5788 2 803 . 2 2 81 81 TRP H H 1 8.540 0.000 . 1 . . . . . . . . 5788 2 804 . 2 2 81 81 TRP HA H 1 4.280 0.000 . 1 . . . . . . . . 5788 2 805 . 2 2 81 81 TRP HB2 H 1 3.480 0.000 . 2 . . . . . . . . 5788 2 806 . 2 2 81 81 TRP HB3 H 1 3.410 0.000 . 2 . . . . . . . . 5788 2 807 . 2 2 81 81 TRP HD1 H 1 7.190 0.000 . 1 . . . . . . . . 5788 2 808 . 2 2 81 81 TRP HE1 H 1 10.180 0.000 . 1 . . . . . . . . 5788 2 809 . 2 2 81 81 TRP HE3 H 1 7.990 0.000 . 1 . . . . . . . . 5788 2 810 . 2 2 81 81 TRP HZ2 H 1 7.300 0.000 . 1 . . . . . . . . 5788 2 811 . 2 2 81 81 TRP HZ3 H 1 7.050 0.000 . 1 . . . . . . . . 5788 2 812 . 2 2 81 81 TRP HH2 H 1 7.040 0.000 . 1 . . . . . . . . 5788 2 813 . 2 2 81 81 TRP C C 13 178.090 0.000 . 1 . . . . . . . . 5788 2 814 . 2 2 81 81 TRP CA C 13 59.838 0.000 . 1 . . . . . . . . 5788 2 815 . 2 2 81 81 TRP CB C 13 29.260 0.000 . 1 . . . . . . . . 5788 2 816 . 2 2 81 81 TRP N N 15 119.500 0.000 . 1 . . . . . . . . 5788 2 817 . 2 2 81 81 TRP NE1 N 15 129.000 0.000 . 1 . . . . . . . . 5788 2 818 . 2 2 82 82 LYS H H 1 8.480 0.000 . 1 . . . . . . . . 5788 2 819 . 2 2 82 82 LYS HA H 1 3.490 0.000 . 1 . . . . . . . . 5788 2 820 . 2 2 82 82 LYS HB2 H 1 1.770 0.000 . 1 . . . . . . . . 5788 2 821 . 2 2 82 82 LYS HG2 H 1 1.470 0.000 . 1 . . . . . . . . 5788 2 822 . 2 2 82 82 LYS HD2 H 1 1.670 0.000 . 1 . . . . . . . . 5788 2 823 . 2 2 82 82 LYS HE2 H 1 2.960 0.000 . 1 . . . . . . . . 5788 2 824 . 2 2 82 82 LYS C C 13 177.230 0.000 . 1 . . . . . . . . 5788 2 825 . 2 2 82 82 LYS CA C 13 58.348 0.000 . 1 . . . . . . . . 5788 2 826 . 2 2 82 82 LYS CB C 13 32.990 0.000 . 1 . . . . . . . . 5788 2 827 . 2 2 82 82 LYS CG C 13 25.160 0.000 . 1 . . . . . . . . 5788 2 828 . 2 2 82 82 LYS CD C 13 29.260 0.000 . 1 . . . . . . . . 5788 2 829 . 2 2 82 82 LYS CE C 13 41.940 0.000 . 1 . . . . . . . . 5788 2 830 . 2 2 82 82 LYS N N 15 115.610 0.000 . 1 . . . . . . . . 5788 2 831 . 2 2 83 83 ASN H H 1 7.130 0.000 . 1 . . . . . . . . 5788 2 832 . 2 2 83 83 ASN HA H 1 4.640 0.000 . 1 . . . . . . . . 5788 2 833 . 2 2 83 83 ASN HB2 H 1 2.660 0.000 . 2 . . . . . . . . 5788 2 834 . 2 2 83 83 ASN HB3 H 1 2.500 0.000 . 2 . . . . . . . . 5788 2 835 . 2 2 83 83 ASN C C 13 173.970 0.000 . 1 . . . . . . . . 5788 2 836 . 2 2 83 83 ASN CA C 13 52.758 0.000 . 1 . . . . . . . . 5788 2 837 . 2 2 83 83 ASN CB C 13 40.820 0.000 . 1 . . . . . . . . 5788 2 838 . 2 2 83 83 ASN N N 15 113.670 0.000 . 1 . . . . . . . . 5788 2 839 . 2 2 84 84 CYS H H 1 7.380 0.000 . 1 . . . . . . . . 5788 2 840 . 2 2 84 84 CYS HA H 1 3.980 0.000 . 1 . . . . . . . . 5788 2 841 . 2 2 84 84 CYS HB2 H 1 2.700 0.000 . 2 . . . . . . . . 5788 2 842 . 2 2 84 84 CYS HB3 H 1 1.960 0.000 . 2 . . . . . . . . 5788 2 843 . 2 2 84 84 CYS C C 13 176.650 0.000 . 1 . . . . . . . . 5788 2 844 . 2 2 84 84 CYS CA C 13 60.958 0.000 . 1 . . . . . . . . 5788 2 845 . 2 2 84 84 CYS CB C 13 28.140 0.000 . 1 . . . . . . . . 5788 2 846 . 2 2 84 84 CYS N N 15 124.470 0.000 . 1 . . . . . . . . 5788 2 847 . 2 2 85 85 THR H H 1 8.550 0.000 . 1 . . . . . . . . 5788 2 848 . 2 2 85 85 THR HA H 1 4.440 0.000 . 1 . . . . . . . . 5788 2 849 . 2 2 85 85 THR HB H 1 4.480 0.000 . 1 . . . . . . . . 5788 2 850 . 2 2 85 85 THR HG21 H 1 1.100 0.000 . 1 . . . . . . . . 5788 2 851 . 2 2 85 85 THR HG22 H 1 1.100 0.000 . 1 . . . . . . . . 5788 2 852 . 2 2 85 85 THR HG23 H 1 1.100 0.000 . 1 . . . . . . . . 5788 2 853 . 2 2 85 85 THR CA C 13 60.588 0.000 . 1 . . . . . . . . 5788 2 854 . 2 2 85 85 THR CB C 13 69.158 0.000 . 1 . . . . . . . . 5788 2 855 . 2 2 85 85 THR CG2 C 13 20.690 0.000 . 1 . . . . . . . . 5788 2 856 . 2 2 85 85 THR N N 15 119.070 0.000 . 1 . . . . . . . . 5788 2 857 . 2 2 86 86 ARG HA H 1 4.330 0.000 . 1 . . . . . . . . 5788 2 858 . 2 2 87 87 HIS HA H 1 4.360 0.000 . 1 . . . . . . . . 5788 2 859 . 2 2 87 87 HIS HB2 H 1 3.230 0.000 . 1 . . . . . . . . 5788 2 860 . 2 2 87 87 HIS C C 13 174.420 0.000 . 1 . . . . . . . . 5788 2 861 . 2 2 87 87 HIS CA C 13 57.968 0.000 . 1 . . . . . . . . 5788 2 862 . 2 2 87 87 HIS CB C 13 28.520 0.000 . 1 . . . . . . . . 5788 2 863 . 2 2 88 88 ASP H H 1 8.300 0.000 . 1 . . . . . . . . 5788 2 864 . 2 2 88 88 ASP HA H 1 4.500 0.000 . 1 . . . . . . . . 5788 2 865 . 2 2 88 88 ASP HB2 H 1 2.830 0.000 . 2 . . . . . . . . 5788 2 866 . 2 2 88 88 ASP HB3 H 1 2.370 0.000 . 2 . . . . . . . . 5788 2 867 . 2 2 88 88 ASP C C 13 174.980 0.000 . 1 . . . . . . . . 5788 2 868 . 2 2 88 88 ASP CA C 13 52.008 0.000 . 1 . . . . . . . . 5788 2 869 . 2 2 88 88 ASP CB C 13 39.330 0.000 . 1 . . . . . . . . 5788 2 870 . 2 2 88 88 ASP N N 15 116.480 0.000 . 1 . . . . . . . . 5788 2 871 . 2 2 89 89 CYS H H 1 7.100 0.000 . 1 . . . . . . . . 5788 2 872 . 2 2 89 89 CYS HA H 1 4.260 0.000 . 1 . . . . . . . . 5788 2 873 . 2 2 89 89 CYS HB2 H 1 2.820 0.000 . 1 . . . . . . . . 5788 2 874 . 2 2 89 89 CYS CA C 13 56.858 0.000 . 1 . . . . . . . . 5788 2 875 . 2 2 89 89 CYS CB C 13 30.010 0.000 . 1 . . . . . . . . 5788 2 876 . 2 2 89 89 CYS N N 15 122.530 0.000 . 1 . . . . . . . . 5788 2 877 . 2 2 90 90 PRO HA H 1 4.370 0.000 . 1 . . . . . . . . 5788 2 878 . 2 2 90 90 PRO HB2 H 1 2.330 0.000 . 2 . . . . . . . . 5788 2 879 . 2 2 90 90 PRO HB3 H 1 1.770 0.000 . 2 . . . . . . . . 5788 2 880 . 2 2 90 90 PRO HD2 H 1 3.950 0.000 . 1 . . . . . . . . 5788 2 881 . 2 2 90 90 PRO C C 13 178.010 0.000 . 1 . . . . . . . . 5788 2 882 . 2 2 90 90 PRO CA C 13 64.308 0.000 . 1 . . . . . . . . 5788 2 883 . 2 2 90 90 PRO CB C 13 32.620 0.000 . 1 . . . . . . . . 5788 2 884 . 2 2 90 90 PRO CD C 13 50.890 0.000 . 1 . . . . . . . . 5788 2 885 . 2 2 91 91 VAL H H 1 8.420 0.000 . 1 . . . . . . . . 5788 2 886 . 2 2 91 91 VAL HA H 1 3.780 0.000 . 1 . . . . . . . . 5788 2 887 . 2 2 91 91 VAL HB H 1 2.160 0.000 . 1 . . . . . . . . 5788 2 888 . 2 2 91 91 VAL HG11 H 1 0.930 0.000 . 2 . . . . . . . . 5788 2 889 . 2 2 91 91 VAL HG12 H 1 0.930 0.000 . 2 . . . . . . . . 5788 2 890 . 2 2 91 91 VAL HG13 H 1 0.930 0.000 . 2 . . . . . . . . 5788 2 891 . 2 2 91 91 VAL HG21 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 892 . 2 2 91 91 VAL HG22 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 893 . 2 2 91 91 VAL HG23 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 894 . 2 2 91 91 VAL C C 13 176.530 0.000 . 1 . . . . . . . . 5788 2 895 . 2 2 91 91 VAL CA C 13 65.808 0.000 . 1 . . . . . . . . 5788 2 896 . 2 2 91 91 VAL CB C 13 32.990 0.000 . 1 . . . . . . . . 5788 2 897 . 2 2 91 91 VAL CG1 C 13 21.430 0.000 . 1 . . . . . . . . 5788 2 898 . 2 2 91 91 VAL CG2 C 13 22.550 0.000 . 1 . . . . . . . . 5788 2 899 . 2 2 91 91 VAL N N 15 119.720 0.000 . 1 . . . . . . . . 5788 2 900 . 2 2 92 92 CYS H H 1 8.460 0.000 . 1 . . . . . . . . 5788 2 901 . 2 2 92 92 CYS HA H 1 4.200 0.000 . 1 . . . . . . . . 5788 2 902 . 2 2 92 92 CYS HB2 H 1 3.220 0.000 . 2 . . . . . . . . 5788 2 903 . 2 2 92 92 CYS HB3 H 1 2.900 0.000 . 2 . . . . . . . . 5788 2 904 . 2 2 92 92 CYS C C 13 177.310 0.000 . 1 . . . . . . . . 5788 2 905 . 2 2 92 92 CYS CA C 13 62.818 0.000 . 1 . . . . . . . . 5788 2 906 . 2 2 92 92 CYS N N 15 118.850 0.000 . 1 . . . . . . . . 5788 2 907 . 2 2 93 93 LEU H H 1 7.750 0.000 . 1 . . . . . . . . 5788 2 908 . 2 2 93 93 LEU HA H 1 4.180 0.000 . 1 . . . . . . . . 5788 2 909 . 2 2 93 93 LEU HB2 H 1 1.870 0.000 . 2 . . . . . . . . 5788 2 910 . 2 2 93 93 LEU HB3 H 1 1.670 0.000 . 2 . . . . . . . . 5788 2 911 . 2 2 93 93 LEU HG H 1 1.610 0.000 . 1 . . . . . . . . 5788 2 912 . 2 2 93 93 LEU HD11 H 1 0.860 0.000 . 1 . . . . . . . . 5788 2 913 . 2 2 93 93 LEU HD12 H 1 0.860 0.000 . 1 . . . . . . . . 5788 2 914 . 2 2 93 93 LEU HD13 H 1 0.860 0.000 . 1 . . . . . . . . 5788 2 915 . 2 2 93 93 LEU HD21 H 1 0.860 0.000 . 1 . . . . . . . . 5788 2 916 . 2 2 93 93 LEU HD22 H 1 0.860 0.000 . 1 . . . . . . . . 5788 2 917 . 2 2 93 93 LEU HD23 H 1 0.860 0.000 . 1 . . . . . . . . 5788 2 918 . 2 2 93 93 LEU CA C 13 60.208 0.000 . 1 . . . . . . . . 5788 2 919 . 2 2 93 93 LEU CB C 13 39.700 0.000 . 1 . . . . . . . . 5788 2 920 . 2 2 93 93 LEU CG C 13 27.020 0.000 . 1 . . . . . . . . 5788 2 921 . 2 2 93 93 LEU CD1 C 13 25.160 0.000 . 1 . . . . . . . . 5788 2 922 . 2 2 93 93 LEU CD2 C 13 23.300 0.000 . 1 . . . . . . . . 5788 2 923 . 2 2 93 93 LEU N N 15 119.930 0.000 . 1 . . . . . . . . 5788 2 924 . 2 2 94 94 PRO HA H 1 4.410 0.000 . 1 . . . . . . . . 5788 2 925 . 2 2 94 94 PRO HB2 H 1 2.390 0.000 . 2 . . . . . . . . 5788 2 926 . 2 2 94 94 PRO HB3 H 1 1.650 0.000 . 2 . . . . . . . . 5788 2 927 . 2 2 94 94 PRO HG2 H 1 1.980 0.000 . 2 . . . . . . . . 5788 2 928 . 2 2 94 94 PRO HG3 H 1 1.820 0.000 . 2 . . . . . . . . 5788 2 929 . 2 2 94 94 PRO HD2 H 1 3.570 0.000 . 1 . . . . . . . . 5788 2 930 . 2 2 94 94 PRO CA C 13 65.058 0.000 . 1 . . . . . . . . 5788 2 931 . 2 2 94 94 PRO CB C 13 31.130 0.000 . 1 . . . . . . . . 5788 2 932 . 2 2 94 94 PRO CG C 13 28.140 0.000 . 1 . . . . . . . . 5788 2 933 . 2 2 94 94 PRO CD C 13 49.770 0.000 . 1 . . . . . . . . 5788 2 934 . 2 2 95 95 LEU H H 1 7.710 0.000 . 1 . . . . . . . . 5788 2 935 . 2 2 95 95 LEU HA H 1 4.290 0.000 . 1 . . . . . . . . 5788 2 936 . 2 2 95 95 LEU HB2 H 1 2.120 0.000 . 2 . . . . . . . . 5788 2 937 . 2 2 95 95 LEU HB3 H 1 1.850 0.000 . 2 . . . . . . . . 5788 2 938 . 2 2 95 95 LEU HG H 1 1.530 0.000 . 1 . . . . . . . . 5788 2 939 . 2 2 95 95 LEU HD11 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 940 . 2 2 95 95 LEU HD12 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 941 . 2 2 95 95 LEU HD13 H 1 0.820 0.000 . 2 . . . . . . . . 5788 2 942 . 2 2 95 95 LEU HD21 H 1 0.720 0.000 . 2 . . . . . . . . 5788 2 943 . 2 2 95 95 LEU HD22 H 1 0.720 0.000 . 2 . . . . . . . . 5788 2 944 . 2 2 95 95 LEU HD23 H 1 0.720 0.000 . 2 . . . . . . . . 5788 2 945 . 2 2 95 95 LEU C C 13 177.620 0.000 . 1 . . . . . . . . 5788 2 946 . 2 2 95 95 LEU CA C 13 55.358 0.000 . 1 . . . . . . . . 5788 2 947 . 2 2 95 95 LEU CB C 13 42.690 0.000 . 1 . . . . . . . . 5788 2 948 . 2 2 95 95 LEU CG C 13 28.140 0.000 . 1 . . . . . . . . 5788 2 949 . 2 2 95 95 LEU CD1 C 13 25.530 0.000 . 1 . . . . . . . . 5788 2 950 . 2 2 95 95 LEU CD2 C 13 24.410 0.000 . 1 . . . . . . . . 5788 2 951 . 2 2 96 96 LYS H H 1 7.910 0.000 . 1 . . . . . . . . 5788 2 952 . 2 2 96 96 LYS HA H 1 4.330 0.000 . 1 . . . . . . . . 5788 2 953 . 2 2 96 96 LYS HB2 H 1 1.950 0.000 . 2 . . . . . . . . 5788 2 954 . 2 2 96 96 LYS HB3 H 1 1.890 0.000 . 2 . . . . . . . . 5788 2 955 . 2 2 96 96 LYS HG2 H 1 1.560 0.000 . 2 . . . . . . . . 5788 2 956 . 2 2 96 96 LYS HG3 H 1 1.450 0.000 . 2 . . . . . . . . 5788 2 957 . 2 2 96 96 LYS HD2 H 1 1.720 0.000 . 2 . . . . . . . . 5788 2 958 . 2 2 96 96 LYS HD3 H 1 1.590 0.000 . 2 . . . . . . . . 5788 2 959 . 2 2 96 96 LYS HE2 H 1 2.780 0.000 . 2 . . . . . . . . 5788 2 960 . 2 2 96 96 LYS HE3 H 1 2.680 0.000 . 2 . . . . . . . . 5788 2 961 . 2 2 96 96 LYS C C 13 177.310 0.000 . 1 . . . . . . . . 5788 2 962 . 2 2 96 96 LYS CA C 13 57.228 0.000 . 1 . . . . . . . . 5788 2 963 . 2 2 96 96 LYS CB C 13 32.990 0.000 . 1 . . . . . . . . 5788 2 964 . 2 2 96 96 LYS CG C 13 25.160 0.000 . 1 . . . . . . . . 5788 2 965 . 2 2 96 96 LYS CD C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 966 . 2 2 96 96 LYS CE C 13 41.940 0.000 . 1 . . . . . . . . 5788 2 967 . 2 2 96 96 LYS N N 15 119.290 0.000 . 1 . . . . . . . . 5788 2 968 . 2 2 97 97 ASN H H 1 8.370 0.000 . 1 . . . . . . . . 5788 2 969 . 2 2 97 97 ASN HA H 1 4.760 0.000 . 1 . . . . . . . . 5788 2 970 . 2 2 97 97 ASN HB2 H 1 2.900 0.000 . 2 . . . . . . . . 5788 2 971 . 2 2 97 97 ASN HB3 H 1 2.750 0.000 . 2 . . . . . . . . 5788 2 972 . 2 2 97 97 ASN C C 13 175.510 0.000 . 1 . . . . . . . . 5788 2 973 . 2 2 97 97 ASN CA C 13 53.128 0.000 . 1 . . . . . . . . 5788 2 974 . 2 2 97 97 ASN CB C 13 38.960 0.000 . 1 . . . . . . . . 5788 2 975 . 2 2 97 97 ASN N N 15 117.990 0.000 . 1 . . . . . . . . 5788 2 976 . 2 2 98 98 ALA H H 1 8.030 0.000 . 1 . . . . . . . . 5788 2 977 . 2 2 98 98 ALA HA H 1 4.280 0.000 . 1 . . . . . . . . 5788 2 978 . 2 2 98 98 ALA HB1 H 1 1.320 0.000 . 1 . . . . . . . . 5788 2 979 . 2 2 98 98 ALA HB2 H 1 1.320 0.000 . 1 . . . . . . . . 5788 2 980 . 2 2 98 98 ALA HB3 H 1 1.320 0.000 . 1 . . . . . . . . 5788 2 981 . 2 2 98 98 ALA C C 13 177.930 0.000 . 1 . . . . . . . . 5788 2 982 . 2 2 98 98 ALA CA C 13 52.758 0.000 . 1 . . . . . . . . 5788 2 983 . 2 2 98 98 ALA CB C 13 19.190 0.000 . 1 . . . . . . . . 5788 2 984 . 2 2 98 98 ALA N N 15 123.390 0.000 . 1 . . . . . . . . 5788 2 985 . 2 2 99 99 GLY H H 1 8.290 0.000 . 1 . . . . . . . . 5788 2 986 . 2 2 99 99 GLY C C 13 173.740 0.000 . 1 . . . . . . . . 5788 2 987 . 2 2 99 99 GLY CA C 13 45.300 0.000 . 1 . . . . . . . . 5788 2 988 . 2 2 99 99 GLY N N 15 106.550 0.000 . 1 . . . . . . . . 5788 2 989 . 2 2 100 100 ASP H H 1 8.150 0.000 . 1 . . . . . . . . 5788 2 990 . 2 2 100 100 ASP HA H 1 4.670 0.000 . 1 . . . . . . . . 5788 2 991 . 2 2 100 100 ASP HB2 H 1 2.750 0.000 . 2 . . . . . . . . 5788 2 992 . 2 2 100 100 ASP HB3 H 1 2.630 0.000 . 2 . . . . . . . . 5788 2 993 . 2 2 100 100 ASP C C 13 175.210 0.000 . 1 . . . . . . . . 5788 2 994 . 2 2 100 100 ASP CA C 13 53.868 0.000 . 1 . . . . . . . . 5788 2 995 . 2 2 100 100 ASP CB C 13 41.190 0.000 . 1 . . . . . . . . 5788 2 996 . 2 2 100 100 ASP N N 15 120.580 0.000 . 1 . . . . . . . . 5788 2 997 . 2 2 101 101 LYS H H 1 7.840 0.000 . 1 . . . . . . . . 5788 2 998 . 2 2 101 101 LYS HA H 1 4.140 0.000 . 1 . . . . . . . . 5788 2 999 . 2 2 101 101 LYS HB2 H 1 1.820 0.000 . 2 . . . . . . . . 5788 2 1000 . 2 2 101 101 LYS HB3 H 1 1.700 0.000 . 2 . . . . . . . . 5788 2 1001 . 2 2 101 101 LYS HG2 H 1 1.380 0.000 . 1 . . . . . . . . 5788 2 1002 . 2 2 101 101 LYS HD2 H 1 1.640 0.000 . 1 . . . . . . . . 5788 2 1003 . 2 2 101 101 LYS HE2 H 1 2.960 0.000 . 1 . . . . . . . . 5788 2 1004 . 2 2 101 101 LYS CA C 13 57.228 0.000 . 1 . . . . . . . . 5788 2 1005 . 2 2 101 101 LYS CB C 13 33.740 0.000 . 1 . . . . . . . . 5788 2 1006 . 2 2 101 101 LYS CG C 13 24.410 0.000 . 1 . . . . . . . . 5788 2 1007 . 2 2 101 101 LYS CD C 13 28.890 0.000 . 1 . . . . . . . . 5788 2 1008 . 2 2 101 101 LYS CE C 13 41.940 0.000 . 1 . . . . . . . . 5788 2 1009 . 2 2 101 101 LYS N N 15 125.980 0.000 . 1 . . . . . . . . 5788 2 stop_ save_