data_4463 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4463 _Entry.Title ; Sequential NMR assignment of the Ras-binding domain of Byr2 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-11-22 _Entry.Accession_date 1999-11-22 _Entry.Last_release_date 2000-12-15 _Entry.Original_release_date 2000-12-15 _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 Fritz Huber . . . 4463 2 Wolfram Gronwald . . . 4463 3 Sabine Wohlgemuth . . . 4463 4 Christian Herrmann . . . 4463 5 Matthias Geyer . . . 4463 6 Alfred Wittinghofer . . . 4463 7 Hans Kalbitzer . R. . 4463 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4463 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 584 4463 '13C chemical shifts' 217 4463 '15N chemical shifts' 110 4463 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 . . 2000-12-15 1999-11-22 original author . 4463 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4463 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20285167 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Huber, F., Gronwald, W., Wohlgemuth, S., Herrmann, C., Geyer, M., Wittinghofer, A., and Kalbitzer, H.R., "Letter to the Editor: Sequential NMR Assignment of the RAS-binding Domain of Byr2," J. Biomol. NMR 16, 355-356 (2000). ; _Citation.Title ; Letter to the Editor: Sequential NMR Assignment of the RAS-binding Domain of Byr2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 16 _Citation.Journal_issue 4 _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 355 _Citation.Page_last 356 _Citation.Year 2000 _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 Fritz Huber . . . 4463 1 2 Wolfram Gronwald . . . 4463 1 3 Sabine Wohlgemuth . . . 4463 1 4 Christian Herrmann . . . 4463 1 5 Matthias Geyer . . . 4463 1 6 Alfred Wittinghofer . . . 4463 1 7 Hans Kalbitzer . R. . 4463 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Byr2 4463 1 'Ras-binding domain' 4463 1 'sequential assignment' 4463 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 4463 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 2046669 _Citation.Full_citation ; Mol Cell Biol 1991 Jul;11(7):3554-63 byr2, a Schizosaccharomyces pombe gene encoding a protein kinase capable of partial suppression of the ras1 mutant phenotype. Wang Y, Xu HP, Riggs M, Rodgers L, Wigler M ; _Citation.Title 'byr2, a Schizosaccharomyces pombe gene encoding a protein kinase capable of partial suppression of the ras1 mutant phenotype.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell. Biol.' _Citation.Journal_name_full 'Molecular and cellular biology' _Citation.Journal_volume 11 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0270-7306 _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 3554 _Citation.Page_last 3563 _Citation.Year 1991 _Citation.Details ; Schizosaccharomyces pombe contains a single gene, ras1, which is a homolog of the mammalian RAS genes. ras1 is required for conjugation, sporulation, and normal cell shape. ras1 has been previously identified as ste5. We report here a gene we call byr2 that can encode a predicted protein kinase and can partially suppress defects in ras1 mutants. ras1 mutant strains expressing high levels of byr2 can sporulate competently but are still defective in conjugation and abnormally round. byr2 mutants are viable and have normal shape but are absolutely defective in conjugation and sporulation. byr2 is probably identical to ste8. In many respects, byr2 resembles the byr1 gene, another suppressor of the ras1 mutation, which has been identified previously as ste1. Our data indicate that if ras1, byr2, and byr1 act along the same pathway, then the site of action for byr2 is between the sites for ras1 and byr1. ; 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 Y. Wang Y. . . 4463 2 2 'H. P.' Xu H. P. . 4463 2 3 M. Riggs M. . . 4463 2 4 L. Rodgers L. . . 4463 2 5 M. Wigler M. . . 4463 2 stop_ save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 4463 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation 'Bruker, Karlsruhe, Germany' _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_reference_3 _Citation.Sf_category citations _Citation.Sf_framecode reference_3 _Citation.Entry_ID 4463 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Neidig, K.-P., Geyer, M., Gorler, A., Antz, C., Saffrich, R., Beneicke, W. and Kalbitzer, H. R. (1995) J. Biomol. NMR, 6, 255-270. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_Byr2_system _Assembly.Sf_category assembly _Assembly.Sf_framecode Byr2_system _Assembly.Entry_ID 4463 _Assembly.ID 1 _Assembly.Name 'Ras-binding domain of Byr2' _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 free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.1.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4463 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 Byr2 1 $Byr2 . . . native . . . . . 4463 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ras-binding domain of Byr2' system 4463 1 Byr2 abbreviation 4463 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; The RAS-binding domain of the protein kinase Byr2 is studied ; 4463 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Byr2 _Entity.Sf_category entity _Entity.Sf_framecode Byr2 _Entity.Entry_ID 4463 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Byr2 _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 ; REFPRPCILRFIACNGQTRA VQSRGDYQKTLAIALKKFSL EDASKFIVCVSQSSRIKLIT EEEFKQICFNSSSPERDRLI IVPKEKPCPSFEDLRRSWEI ELAQPAALSSQSSLSP ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13193 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1I35 . "Solution Structure Of The Ras-Binding Domain Of The Protein Kinase Byr2 From Schizosaccharomyces Pombe" . . . . . 81.90 95 100.00 100.00 4.23e-60 . . . . 4463 1 2 no PDB 1K8R . "Crystal Structure Of Ras-Bry2rbd Complex" . . . . . 94.83 110 100.00 100.00 2.04e-70 . . . . 4463 1 3 no EMBL CAA48731 . "protein kinase [Schizosaccharomyces pombe]" . . . . . 100.00 659 100.00 100.00 8.95e-72 . . . . 4463 1 4 no EMBL CAB10150 . "MAP kinase kinase kinase Byr2 [Schizosaccharomyces pombe]" . . . . . 100.00 659 100.00 100.00 8.95e-72 . . . . 4463 1 5 no GB AAA35289 . "byr2 [Schizosaccharomyces pombe]" . . . . . 100.00 659 100.00 100.00 8.95e-72 . . . . 4463 1 6 no REF NP_595714 . "MAP kinase kinase kinase Byr2 [Schizosaccharomyces pombe 972h-]" . . . . . 100.00 659 100.00 100.00 8.95e-72 . . . . 4463 1 7 no SP P28829 . "RecName: Full=Protein kinase byr2; AltName: Full=MAPK kinase kinase; Short=MAPKKK; AltName: Full=Protein kinase ste8" . . . . . 100.00 659 100.00 100.00 8.95e-72 . . . . 4463 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Byr2 common 4463 1 Byr2 abbreviation 4463 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -5 ARG . 4463 1 2 -4 GLU . 4463 1 3 -3 PHE . 4463 1 4 -2 PRO . 4463 1 5 -1 ARG . 4463 1 6 0 PRO . 4463 1 7 1 CYS . 4463 1 8 2 ILE . 4463 1 9 3 LEU . 4463 1 10 4 ARG . 4463 1 11 5 PHE . 4463 1 12 6 ILE . 4463 1 13 7 ALA . 4463 1 14 8 CYS . 4463 1 15 9 ASN . 4463 1 16 10 GLY . 4463 1 17 11 GLN . 4463 1 18 12 THR . 4463 1 19 13 ARG . 4463 1 20 14 ALA . 4463 1 21 15 VAL . 4463 1 22 16 GLN . 4463 1 23 17 SER . 4463 1 24 18 ARG . 4463 1 25 19 GLY . 4463 1 26 20 ASP . 4463 1 27 21 TYR . 4463 1 28 22 GLN . 4463 1 29 23 LYS . 4463 1 30 24 THR . 4463 1 31 25 LEU . 4463 1 32 26 ALA . 4463 1 33 27 ILE . 4463 1 34 28 ALA . 4463 1 35 29 LEU . 4463 1 36 30 LYS . 4463 1 37 31 LYS . 4463 1 38 32 PHE . 4463 1 39 33 SER . 4463 1 40 34 LEU . 4463 1 41 35 GLU . 4463 1 42 36 ASP . 4463 1 43 37 ALA . 4463 1 44 38 SER . 4463 1 45 39 LYS . 4463 1 46 40 PHE . 4463 1 47 41 ILE . 4463 1 48 42 VAL . 4463 1 49 43 CYS . 4463 1 50 44 VAL . 4463 1 51 45 SER . 4463 1 52 46 GLN . 4463 1 53 47 SER . 4463 1 54 48 SER . 4463 1 55 49 ARG . 4463 1 56 50 ILE . 4463 1 57 51 LYS . 4463 1 58 52 LEU . 4463 1 59 53 ILE . 4463 1 60 54 THR . 4463 1 61 55 GLU . 4463 1 62 56 GLU . 4463 1 63 57 GLU . 4463 1 64 58 PHE . 4463 1 65 59 LYS . 4463 1 66 60 GLN . 4463 1 67 61 ILE . 4463 1 68 62 CYS . 4463 1 69 63 PHE . 4463 1 70 64 ASN . 4463 1 71 65 SER . 4463 1 72 66 SER . 4463 1 73 67 SER . 4463 1 74 68 PRO . 4463 1 75 69 GLU . 4463 1 76 70 ARG . 4463 1 77 71 ASP . 4463 1 78 72 ARG . 4463 1 79 73 LEU . 4463 1 80 74 ILE . 4463 1 81 75 ILE . 4463 1 82 76 VAL . 4463 1 83 77 PRO . 4463 1 84 78 LYS . 4463 1 85 79 GLU . 4463 1 86 80 LYS . 4463 1 87 81 PRO . 4463 1 88 82 CYS . 4463 1 89 83 PRO . 4463 1 90 84 SER . 4463 1 91 85 PHE . 4463 1 92 86 GLU . 4463 1 93 87 ASP . 4463 1 94 88 LEU . 4463 1 95 89 ARG . 4463 1 96 90 ARG . 4463 1 97 91 SER . 4463 1 98 92 TRP . 4463 1 99 93 GLU . 4463 1 100 94 ILE . 4463 1 101 95 GLU . 4463 1 102 96 LEU . 4463 1 103 97 ALA . 4463 1 104 98 GLN . 4463 1 105 99 PRO . 4463 1 106 100 ALA . 4463 1 107 101 ALA . 4463 1 108 102 LEU . 4463 1 109 103 SER . 4463 1 110 104 SER . 4463 1 111 105 GLN . 4463 1 112 106 SER . 4463 1 113 107 SER . 4463 1 114 108 LEU . 4463 1 115 109 SER . 4463 1 116 110 PRO . 4463 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 . ARG 1 1 4463 1 . GLU 2 2 4463 1 . PHE 3 3 4463 1 . PRO 4 4 4463 1 . ARG 5 5 4463 1 . PRO 6 6 4463 1 . CYS 7 7 4463 1 . ILE 8 8 4463 1 . LEU 9 9 4463 1 . ARG 10 10 4463 1 . PHE 11 11 4463 1 . ILE 12 12 4463 1 . ALA 13 13 4463 1 . CYS 14 14 4463 1 . ASN 15 15 4463 1 . GLY 16 16 4463 1 . GLN 17 17 4463 1 . THR 18 18 4463 1 . ARG 19 19 4463 1 . ALA 20 20 4463 1 . VAL 21 21 4463 1 . GLN 22 22 4463 1 . SER 23 23 4463 1 . ARG 24 24 4463 1 . GLY 25 25 4463 1 . ASP 26 26 4463 1 . TYR 27 27 4463 1 . GLN 28 28 4463 1 . LYS 29 29 4463 1 . THR 30 30 4463 1 . LEU 31 31 4463 1 . ALA 32 32 4463 1 . ILE 33 33 4463 1 . ALA 34 34 4463 1 . LEU 35 35 4463 1 . LYS 36 36 4463 1 . LYS 37 37 4463 1 . PHE 38 38 4463 1 . SER 39 39 4463 1 . LEU 40 40 4463 1 . GLU 41 41 4463 1 . ASP 42 42 4463 1 . ALA 43 43 4463 1 . SER 44 44 4463 1 . LYS 45 45 4463 1 . PHE 46 46 4463 1 . ILE 47 47 4463 1 . VAL 48 48 4463 1 . CYS 49 49 4463 1 . VAL 50 50 4463 1 . SER 51 51 4463 1 . GLN 52 52 4463 1 . SER 53 53 4463 1 . SER 54 54 4463 1 . ARG 55 55 4463 1 . ILE 56 56 4463 1 . LYS 57 57 4463 1 . LEU 58 58 4463 1 . ILE 59 59 4463 1 . THR 60 60 4463 1 . GLU 61 61 4463 1 . GLU 62 62 4463 1 . GLU 63 63 4463 1 . PHE 64 64 4463 1 . LYS 65 65 4463 1 . GLN 66 66 4463 1 . ILE 67 67 4463 1 . CYS 68 68 4463 1 . PHE 69 69 4463 1 . ASN 70 70 4463 1 . SER 71 71 4463 1 . SER 72 72 4463 1 . SER 73 73 4463 1 . PRO 74 74 4463 1 . GLU 75 75 4463 1 . ARG 76 76 4463 1 . ASP 77 77 4463 1 . ARG 78 78 4463 1 . LEU 79 79 4463 1 . ILE 80 80 4463 1 . ILE 81 81 4463 1 . VAL 82 82 4463 1 . PRO 83 83 4463 1 . LYS 84 84 4463 1 . GLU 85 85 4463 1 . LYS 86 86 4463 1 . PRO 87 87 4463 1 . CYS 88 88 4463 1 . PRO 89 89 4463 1 . SER 90 90 4463 1 . PHE 91 91 4463 1 . GLU 92 92 4463 1 . ASP 93 93 4463 1 . LEU 94 94 4463 1 . ARG 95 95 4463 1 . ARG 96 96 4463 1 . SER 97 97 4463 1 . TRP 98 98 4463 1 . GLU 99 99 4463 1 . ILE 100 100 4463 1 . GLU 101 101 4463 1 . LEU 102 102 4463 1 . ALA 103 103 4463 1 . GLN 104 104 4463 1 . PRO 105 105 4463 1 . ALA 106 106 4463 1 . ALA 107 107 4463 1 . LEU 108 108 4463 1 . SER 109 109 4463 1 . SER 110 110 4463 1 . GLN 111 111 4463 1 . SER 112 112 4463 1 . SER 113 113 4463 1 . LEU 114 114 4463 1 . SER 115 115 4463 1 . PRO 116 116 4463 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4463 _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 $Byr2 . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota . Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 4463 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 4463 _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 $Byr2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'B121 DE3' . . . . . . . . . . . . plasmid . . pGEX4T3 . . . . . . 4463 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4463 _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 Byr2 '[U-13C; U-15N]' . . 1 $Byr2 . . 0.7 . . mM . . . . 4463 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4463 1 3 DTE . . . . . . . 25 . . mM . . . . 4463 1 4 glycine [U-2H] . . . . . . 0.200 . . M . . . . 4463 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4463 _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 Byr2 [U-15N] . . 1 $Byr2 . . 1.2 . . mM . . . . 4463 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4463 _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 Byr2 . . . 1 $Byr2 . . 1.2 . . mM . . . . 4463 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_1_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_1_conditions _Sample_condition_list.Entry_ID 4463 _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 6.9 0.1 n/a 4463 1 temperature 298 1 K 4463 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4463 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'aquisition and processing of spectra' 4463 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $reference_2 4463 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 4463 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'sequence specific assignment' 4463 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $reference_3 4463 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 4463 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4463 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4463 _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 Bruker DRX . 600 . . . 4463 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 4463 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 4463 _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 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 2 CBCANH . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 3 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 4 HNCA . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 5 HN(CO)CA . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 6 TOCSY-HSQC . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 7 NOESY-HSQC . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 9 HNHA . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 10 '2D NOESY and TOCSY spectra measured in H2O' . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 11 'and D2O.' . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 1 12 '2D 1H-15N and 1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $sample_1_conditions . . . . . . . . . . . . . . . . . . . . . 4463 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 4463 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name CBCA(CO)NH _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 4463 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCANH _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 4463 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HBHA(CO)NH _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 4463 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4463 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4463 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TOCSY-HSQC _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 4463 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name NOESY-HSQC _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 4463 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4463 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHA _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 4463 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '2D NOESY and TOCSY spectra measured in H2O' _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4463 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 'and D2O.' _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4463 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '2D 1H-15N and 1H-13C HSQC' _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 4463 _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 . . . . . . . . . 4463 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4463 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4463 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 4463 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_Byrshift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Byrshift _Assigned_chem_shift_list.Entry_ID 4463 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_1_conditions _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 ; Sequential assignments were obtained for all amino acids with the exception of P83, S84, R90 and P110. In the region P83-E93 signals in all spectra were generally very weak and only rudimentary side chain assignments could be obtained. ; _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 . 4463 1 . . 2 $sample_2 . 4463 1 . . 3 $sample_3 . 4463 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG HA H 1 4.31 0.04 . 1 . . . . . . . . 4463 1 2 . 1 1 1 1 ARG HB2 H 1 1.78 0.04 . 1 . . . . . . . . 4463 1 3 . 1 1 1 1 ARG HB3 H 1 1.78 0.04 . 1 . . . . . . . . 4463 1 4 . 1 1 1 1 ARG CA C 13 56.32 0.2 . 1 . . . . . . . . 4463 1 5 . 1 1 1 1 ARG CB C 13 30.59 0.2 . 1 . . . . . . . . 4463 1 6 . 1 1 2 2 GLU N N 15 121.4 0.5 . 1 . . . . . . . . 4463 1 7 . 1 1 2 2 GLU HA H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 8 . 1 1 2 2 GLU HB2 H 1 2.04 0.04 . 2 . . . . . . . . 4463 1 9 . 1 1 2 2 GLU HB3 H 1 1.89 0.04 . 2 . . . . . . . . 4463 1 10 . 1 1 2 2 GLU CA C 13 56.28 0.2 . 1 . . . . . . . . 4463 1 11 . 1 1 2 2 GLU CB C 13 30.66 0.2 . 1 . . . . . . . . 4463 1 12 . 1 1 2 2 GLU HG2 H 1 2.39 0.04 . 2 . . . . . . . . 4463 1 13 . 1 1 2 2 GLU HG3 H 1 2.2 0.04 . 2 . . . . . . . . 4463 1 14 . 1 1 2 2 GLU H H 1 8.29 0.05 . 1 . . . . . . . . 4463 1 15 . 1 1 3 3 PHE N N 15 121.81 0.5 . 1 . . . . . . . . 4463 1 16 . 1 1 3 3 PHE HA H 1 4.23 0.04 . 1 . . . . . . . . 4463 1 17 . 1 1 3 3 PHE HB2 H 1 1.89 0.04 . 1 . . . . . . . . 4463 1 18 . 1 1 3 3 PHE HB3 H 1 1.89 0.04 . 1 . . . . . . . . 4463 1 19 . 1 1 3 3 PHE CA C 13 55.95 0.2 . 1 . . . . . . . . 4463 1 20 . 1 1 3 3 PHE CB C 13 39.09 0.2 . 1 . . . . . . . . 4463 1 21 . 1 1 3 3 PHE H H 1 8.36 0.05 . 1 . . . . . . . . 4463 1 22 . 1 1 4 4 PRO HA H 1 4.38 0.04 . 1 . . . . . . . . 4463 1 23 . 1 1 4 4 PRO HB2 H 1 2.13 0.04 . 2 . . . . . . . . 4463 1 24 . 1 1 4 4 PRO HB3 H 1 1.87 0.04 . 2 . . . . . . . . 4463 1 25 . 1 1 4 4 PRO CA C 13 63.29 0.2 . 1 . . . . . . . . 4463 1 26 . 1 1 4 4 PRO CB C 13 31.97 0.2 . 1 . . . . . . . . 4463 1 27 . 1 1 5 5 ARG N N 15 121.26 0.5 . 1 . . . . . . . . 4463 1 28 . 1 1 5 5 ARG HA H 1 4.63 0.04 . 1 . . . . . . . . 4463 1 29 . 1 1 5 5 ARG HB2 H 1 1.86 0.04 . 1 . . . . . . . . 4463 1 30 . 1 1 5 5 ARG HB3 H 1 1.86 0.04 . 1 . . . . . . . . 4463 1 31 . 1 1 5 5 ARG CA C 13 53.76 0.2 . 1 . . . . . . . . 4463 1 32 . 1 1 5 5 ARG CB C 13 30.22 0.2 . 1 . . . . . . . . 4463 1 33 . 1 1 5 5 ARG HD2 H 1 3.24 0.04 . 1 . . . . . . . . 4463 1 34 . 1 1 5 5 ARG HD3 H 1 3.24 0.04 . 1 . . . . . . . . 4463 1 35 . 1 1 5 5 ARG HG2 H 1 1.73 0.04 . 1 . . . . . . . . 4463 1 36 . 1 1 5 5 ARG HG3 H 1 1.73 0.04 . 1 . . . . . . . . 4463 1 37 . 1 1 5 5 ARG H H 1 8.24 0.05 . 1 . . . . . . . . 4463 1 38 . 1 1 6 6 PRO HA H 1 4.64 0.04 . 1 . . . . . . . . 4463 1 39 . 1 1 6 6 PRO HB2 H 1 2.15 0.04 . 2 . . . . . . . . 4463 1 40 . 1 1 6 6 PRO HB3 H 1 1.9 0.04 . 2 . . . . . . . . 4463 1 41 . 1 1 6 6 PRO CA C 13 62.74 0.2 . 1 . . . . . . . . 4463 1 42 . 1 1 6 6 PRO CB C 13 32.3 0.2 . 1 . . . . . . . . 4463 1 43 . 1 1 6 6 PRO HG2 H 1 1.8 0.04 . 1 . . . . . . . . 4463 1 44 . 1 1 6 6 PRO HG3 H 1 1.8 0.04 . 1 . . . . . . . . 4463 1 45 . 1 1 7 7 CYS N N 15 119.69 0.5 . 1 . . . . . . . . 4463 1 46 . 1 1 7 7 CYS HA H 1 4.58 0.04 . 1 . . . . . . . . 4463 1 47 . 1 1 7 7 CYS HB2 H 1 3.07 0.04 . 2 . . . . . . . . 4463 1 48 . 1 1 7 7 CYS HB3 H 1 2.85 0.04 . 2 . . . . . . . . 4463 1 49 . 1 1 7 7 CYS CA C 13 56.28 0.2 . 1 . . . . . . . . 4463 1 50 . 1 1 7 7 CYS CB C 13 29.79 0.2 . 1 . . . . . . . . 4463 1 51 . 1 1 7 7 CYS H H 1 8.97 0.05 . 1 . . . . . . . . 4463 1 52 . 1 1 8 8 ILE N N 15 123.25 0.5 . 1 . . . . . . . . 4463 1 53 . 1 1 8 8 ILE HA H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 54 . 1 1 8 8 ILE HB H 1 1.81 0.04 . 1 . . . . . . . . 4463 1 55 . 1 1 8 8 ILE CA C 13 60.12 0.2 . 1 . . . . . . . . 4463 1 56 . 1 1 8 8 ILE CB C 13 37.67 0.2 . 1 . . . . . . . . 4463 1 57 . 1 1 8 8 ILE HD11 H 1 0.66 0.04 . 1 . . . . . . . . 4463 1 58 . 1 1 8 8 ILE HD12 H 1 0.66 0.04 . 1 . . . . . . . . 4463 1 59 . 1 1 8 8 ILE HD13 H 1 0.66 0.04 . 1 . . . . . . . . 4463 1 60 . 1 1 8 8 ILE HG12 H 1 1.47 0.04 . 1 . . . . . . . . 4463 1 61 . 1 1 8 8 ILE HG13 H 1 1.47 0.04 . 1 . . . . . . . . 4463 1 62 . 1 1 8 8 ILE HG21 H 1 0.79 0.04 . 1 . . . . . . . . 4463 1 63 . 1 1 8 8 ILE HG22 H 1 0.79 0.04 . 1 . . . . . . . . 4463 1 64 . 1 1 8 8 ILE HG23 H 1 0.79 0.04 . 1 . . . . . . . . 4463 1 65 . 1 1 8 8 ILE H H 1 8.38 0.05 . 1 . . . . . . . . 4463 1 66 . 1 1 9 9 LEU N N 15 128.51 0.5 . 1 . . . . . . . . 4463 1 67 . 1 1 9 9 LEU HA H 1 4.79 0.04 . 1 . . . . . . . . 4463 1 68 . 1 1 9 9 LEU CA C 13 52.45 0.2 . 1 . . . . . . . . 4463 1 69 . 1 1 9 9 LEU CB C 13 45.12 0.2 . 1 . . . . . . . . 4463 1 70 . 1 1 9 9 LEU HD11 H 1 0.95 0.04 . 1 . . . . . . . . 4463 1 71 . 1 1 9 9 LEU HD12 H 1 0.95 0.04 . 1 . . . . . . . . 4463 1 72 . 1 1 9 9 LEU HD13 H 1 0.95 0.04 . 1 . . . . . . . . 4463 1 73 . 1 1 9 9 LEU HD21 H 1 0.95 0.04 . 1 . . . . . . . . 4463 1 74 . 1 1 9 9 LEU HD22 H 1 0.95 0.04 . 1 . . . . . . . . 4463 1 75 . 1 1 9 9 LEU HD23 H 1 0.95 0.04 . 1 . . . . . . . . 4463 1 76 . 1 1 9 9 LEU H H 1 8.86 0.05 . 1 . . . . . . . . 4463 1 77 . 1 1 10 10 ARG N N 15 122.03 0.5 . 1 . . . . . . . . 4463 1 78 . 1 1 10 10 ARG HA H 1 5.11 0.04 . 1 . . . . . . . . 4463 1 79 . 1 1 10 10 ARG HB2 H 1 1.74 0.04 . 1 . . . . . . . . 4463 1 80 . 1 1 10 10 ARG HB3 H 1 1.74 0.04 . 1 . . . . . . . . 4463 1 81 . 1 1 10 10 ARG CA C 13 55.41 0.2 . 1 . . . . . . . . 4463 1 82 . 1 1 10 10 ARG CB C 13 31.76 0.2 . 1 . . . . . . . . 4463 1 83 . 1 1 10 10 ARG H H 1 8.74 0.05 . 1 . . . . . . . . 4463 1 84 . 1 1 11 11 PHE N N 15 121.47 0.5 . 1 . . . . . . . . 4463 1 85 . 1 1 11 11 PHE HA H 1 5.68 0.04 . 1 . . . . . . . . 4463 1 86 . 1 1 11 11 PHE HB2 H 1 2.83 0.04 . 1 . . . . . . . . 4463 1 87 . 1 1 11 11 PHE HB3 H 1 2.83 0.04 . 1 . . . . . . . . 4463 1 88 . 1 1 11 11 PHE HD1 H 1 6.79 0.04 . 1 . . . . . . . . 4463 1 89 . 1 1 11 11 PHE HD2 H 1 6.79 0.04 . 1 . . . . . . . . 4463 1 90 . 1 1 11 11 PHE HE1 H 1 7.05 0.04 . 1 . . . . . . . . 4463 1 91 . 1 1 11 11 PHE HE2 H 1 7.05 0.04 . 1 . . . . . . . . 4463 1 92 . 1 1 11 11 PHE CA C 13 55.63 0.2 . 1 . . . . . . . . 4463 1 93 . 1 1 11 11 PHE CB C 13 44.13 0.2 . 1 . . . . . . . . 4463 1 94 . 1 1 11 11 PHE H H 1 8.7 0.05 . 1 . . . . . . . . 4463 1 95 . 1 1 12 12 ILE N N 15 122.63 0.5 . 1 . . . . . . . . 4463 1 96 . 1 1 12 12 ILE HA H 1 5.29 0.04 . 1 . . . . . . . . 4463 1 97 . 1 1 12 12 ILE HB H 1 1.54 0.04 . 1 . . . . . . . . 4463 1 98 . 1 1 12 12 ILE CA C 13 59.35 0.2 . 1 . . . . . . . . 4463 1 99 . 1 1 12 12 ILE CB C 13 41.2 0.2 . 1 . . . . . . . . 4463 1 100 . 1 1 12 12 ILE HG21 H 1 0.98 0.04 . 1 . . . . . . . . 4463 1 101 . 1 1 12 12 ILE HG22 H 1 0.98 0.04 . 1 . . . . . . . . 4463 1 102 . 1 1 12 12 ILE HG23 H 1 0.98 0.04 . 1 . . . . . . . . 4463 1 103 . 1 1 12 12 ILE H H 1 9.5 0.05 . 1 . . . . . . . . 4463 1 104 . 1 1 13 13 ALA N N 15 124.96 0.5 . 1 . . . . . . . . 4463 1 105 . 1 1 13 13 ALA HA H 1 4.32 0.04 . 1 . . . . . . . . 4463 1 106 . 1 1 13 13 ALA HB1 H 1 0.23 0.04 . 1 . . . . . . . . 4463 1 107 . 1 1 13 13 ALA HB2 H 1 0.23 0.04 . 1 . . . . . . . . 4463 1 108 . 1 1 13 13 ALA HB3 H 1 0.23 0.04 . 1 . . . . . . . . 4463 1 109 . 1 1 13 13 ALA CA C 13 50.92 0.2 . 1 . . . . . . . . 4463 1 110 . 1 1 13 13 ALA CB C 13 20.26 0.2 . 1 . . . . . . . . 4463 1 111 . 1 1 13 13 ALA H H 1 8.62 0.05 . 1 . . . . . . . . 4463 1 112 . 1 1 14 14 CYS N N 15 110.39 0.5 . 1 . . . . . . . . 4463 1 113 . 1 1 14 14 CYS HA H 1 3.8 0.04 . 1 . . . . . . . . 4463 1 114 . 1 1 14 14 CYS HB2 H 1 3.13 0.04 . 2 . . . . . . . . 4463 1 115 . 1 1 14 14 CYS HB3 H 1 2.87 0.04 . 2 . . . . . . . . 4463 1 116 . 1 1 14 14 CYS CA C 13 59.79 0.2 . 1 . . . . . . . . 4463 1 117 . 1 1 14 14 CYS CB C 13 25.3 0.2 . 1 . . . . . . . . 4463 1 118 . 1 1 14 14 CYS H H 1 8.71 0.05 . 1 . . . . . . . . 4463 1 119 . 1 1 15 15 ASN N N 15 114.5 0.5 . 1 . . . . . . . . 4463 1 120 . 1 1 15 15 ASN HA H 1 3.97 0.04 . 1 . . . . . . . . 4463 1 121 . 1 1 15 15 ASN HB2 H 1 3.19 0.04 . 2 . . . . . . . . 4463 1 122 . 1 1 15 15 ASN HB3 H 1 2.74 0.04 . 2 . . . . . . . . 4463 1 123 . 1 1 15 15 ASN CA C 13 54.09 0.2 . 1 . . . . . . . . 4463 1 124 . 1 1 15 15 ASN CB C 13 36.14 0.2 . 1 . . . . . . . . 4463 1 125 . 1 1 15 15 ASN ND2 N 15 113.87 0.5 . 1 . . . . . . . . 4463 1 126 . 1 1 15 15 ASN HD21 H 1 7.67 0.04 . 2 . . . . . . . . 4463 1 127 . 1 1 15 15 ASN HD22 H 1 7.06 0.04 . 2 . . . . . . . . 4463 1 128 . 1 1 15 15 ASN H H 1 9.23 0.05 . 1 . . . . . . . . 4463 1 129 . 1 1 16 16 GLY N N 15 107.73 0.5 . 1 . . . . . . . . 4463 1 130 . 1 1 16 16 GLY HA2 H 1 3.93 0.04 . 2 . . . . . . . . 4463 1 131 . 1 1 16 16 GLY HA3 H 1 3.27 0.04 . 2 . . . . . . . . 4463 1 132 . 1 1 16 16 GLY CA C 13 47.02 0.2 . 1 . . . . . . . . 4463 1 133 . 1 1 16 16 GLY H H 1 9.46 0.05 . 1 . . . . . . . . 4463 1 134 . 1 1 17 17 GLN N N 15 120.31 0.5 . 1 . . . . . . . . 4463 1 135 . 1 1 17 17 GLN HA H 1 4.56 0.04 . 1 . . . . . . . . 4463 1 136 . 1 1 17 17 GLN HB2 H 1 2.4 0.04 . 1 . . . . . . . . 4463 1 137 . 1 1 17 17 GLN HB3 H 1 2.4 0.04 . 1 . . . . . . . . 4463 1 138 . 1 1 17 17 GLN CA C 13 56.17 0.2 . 1 . . . . . . . . 4463 1 139 . 1 1 17 17 GLN CB C 13 30.44 0.2 . 1 . . . . . . . . 4463 1 140 . 1 1 17 17 GLN NE2 N 15 118.87 0.5 . 1 . . . . . . . . 4463 1 141 . 1 1 17 17 GLN HE21 H 1 7.82 0.04 . 2 . . . . . . . . 4463 1 142 . 1 1 17 17 GLN HE22 H 1 7.51 0.04 . 2 . . . . . . . . 4463 1 143 . 1 1 17 17 GLN H H 1 8.21 0.05 . 1 . . . . . . . . 4463 1 144 . 1 1 18 18 THR N N 15 107.82 0.5 . 1 . . . . . . . . 4463 1 145 . 1 1 18 18 THR HA H 1 6.28 0.04 . 1 . . . . . . . . 4463 1 146 . 1 1 18 18 THR HB H 1 4.01 0.04 . 1 . . . . . . . . 4463 1 147 . 1 1 18 18 THR CA C 13 59.13 0.2 . 1 . . . . . . . . 4463 1 148 . 1 1 18 18 THR CB C 13 72.27 0.2 . 1 . . . . . . . . 4463 1 149 . 1 1 18 18 THR HG21 H 1 1.15 0.04 . 1 . . . . . . . . 4463 1 150 . 1 1 18 18 THR HG22 H 1 1.15 0.04 . 1 . . . . . . . . 4463 1 151 . 1 1 18 18 THR HG23 H 1 1.15 0.04 . 1 . . . . . . . . 4463 1 152 . 1 1 18 18 THR H H 1 8.54 0.05 . 1 . . . . . . . . 4463 1 153 . 1 1 19 19 ARG N N 15 121.2 0.5 . 1 . . . . . . . . 4463 1 154 . 1 1 19 19 ARG HA H 1 4.54 0.04 . 1 . . . . . . . . 4463 1 155 . 1 1 19 19 ARG HB2 H 1 1.19 0.04 . 1 . . . . . . . . 4463 1 156 . 1 1 19 19 ARG HB3 H 1 1.19 0.04 . 1 . . . . . . . . 4463 1 157 . 1 1 19 19 ARG CA C 13 53.77 0.2 . 1 . . . . . . . . 4463 1 158 . 1 1 19 19 ARG CB C 13 33.95 0.2 . 1 . . . . . . . . 4463 1 159 . 1 1 19 19 ARG H H 1 8.9 0.05 . 1 . . . . . . . . 4463 1 160 . 1 1 20 20 ALA N N 15 125.78 0.5 . 1 . . . . . . . . 4463 1 161 . 1 1 20 20 ALA HA H 1 5.42 0.04 . 1 . . . . . . . . 4463 1 162 . 1 1 20 20 ALA HB1 H 1 1.27 0.04 . 1 . . . . . . . . 4463 1 163 . 1 1 20 20 ALA HB2 H 1 1.27 0.04 . 1 . . . . . . . . 4463 1 164 . 1 1 20 20 ALA HB3 H 1 1.27 0.04 . 1 . . . . . . . . 4463 1 165 . 1 1 20 20 ALA CA C 13 50.7 0.2 . 1 . . . . . . . . 4463 1 166 . 1 1 20 20 ALA CB C 13 19.93 0.2 . 1 . . . . . . . . 4463 1 167 . 1 1 20 20 ALA H H 1 8.53 0.05 . 1 . . . . . . . . 4463 1 168 . 1 1 21 21 VAL N N 15 121.88 0.5 . 1 . . . . . . . . 4463 1 169 . 1 1 21 21 VAL HA H 1 4.38 0.04 . 1 . . . . . . . . 4463 1 170 . 1 1 21 21 VAL HB H 1 2.13 0.04 . 1 . . . . . . . . 4463 1 171 . 1 1 21 21 VAL CA C 13 60.77 0.2 . 1 . . . . . . . . 4463 1 172 . 1 1 21 21 VAL CB C 13 36.9 0.2 . 1 . . . . . . . . 4463 1 173 . 1 1 21 21 VAL HG11 H 1 1 0.04 . 2 . . . . . . . . 4463 1 174 . 1 1 21 21 VAL HG12 H 1 1 0.04 . 2 . . . . . . . . 4463 1 175 . 1 1 21 21 VAL HG13 H 1 1 0.04 . 2 . . . . . . . . 4463 1 176 . 1 1 21 21 VAL HG21 H 1 0.8 0.04 . 2 . . . . . . . . 4463 1 177 . 1 1 21 21 VAL HG22 H 1 0.8 0.04 . 2 . . . . . . . . 4463 1 178 . 1 1 21 21 VAL HG23 H 1 0.8 0.04 . 2 . . . . . . . . 4463 1 179 . 1 1 21 21 VAL H H 1 9.32 0.05 . 1 . . . . . . . . 4463 1 180 . 1 1 22 22 GLN N N 15 125.98 0.5 . 1 . . . . . . . . 4463 1 181 . 1 1 22 22 GLN HA H 1 5.03 0.04 . 1 . . . . . . . . 4463 1 182 . 1 1 22 22 GLN HB2 H 1 2.05 0.04 . 2 . . . . . . . . 4463 1 183 . 1 1 22 22 GLN HB3 H 1 2.01 0.04 . 2 . . . . . . . . 4463 1 184 . 1 1 22 22 GLN CA C 13 55.63 0.2 . 1 . . . . . . . . 4463 1 185 . 1 1 22 22 GLN CB C 13 29.57 0.2 . 1 . . . . . . . . 4463 1 186 . 1 1 22 22 GLN HG2 H 1 2.37 0.04 . 2 . . . . . . . . 4463 1 187 . 1 1 22 22 GLN HG3 H 1 2.25 0.04 . 2 . . . . . . . . 4463 1 188 . 1 1 22 22 GLN HE21 H 1 7.87 0.04 . 2 . . . . . . . . 4463 1 189 . 1 1 22 22 GLN NE2 N 15 115 0.5 . 1 . . . . . . . . 4463 1 190 . 1 1 22 22 GLN HE22 H 1 7.57 0.04 . 2 . . . . . . . . 4463 1 191 . 1 1 22 22 GLN H H 1 8.79 0.05 . 1 . . . . . . . . 4463 1 192 . 1 1 23 23 SER N N 15 116.62 0.5 . 1 . . . . . . . . 4463 1 193 . 1 1 23 23 SER CA C 13 57.71 0.2 . 1 . . . . . . . . 4463 1 194 . 1 1 23 23 SER CB C 13 66.36 0.2 . 1 . . . . . . . . 4463 1 195 . 1 1 23 23 SER H H 1 9.01 0.05 . 1 . . . . . . . . 4463 1 196 . 1 1 24 24 ARG N N 15 121.47 0.5 . 1 . . . . . . . . 4463 1 197 . 1 1 24 24 ARG HA H 1 4.74 0.04 . 1 . . . . . . . . 4463 1 198 . 1 1 24 24 ARG HB2 H 1 2.27 0.04 . 2 . . . . . . . . 4463 1 199 . 1 1 24 24 ARG HB3 H 1 1.93 0.04 . 2 . . . . . . . . 4463 1 200 . 1 1 24 24 ARG CA C 13 55.12 0.2 . 1 . . . . . . . . 4463 1 201 . 1 1 24 24 ARG CB C 13 30.48 0.2 . 1 . . . . . . . . 4463 1 202 . 1 1 24 24 ARG H H 1 9.09 0.05 . 1 . . . . . . . . 4463 1 203 . 1 1 25 25 GLY N N 15 106.7 0.5 . 1 . . . . . . . . 4463 1 204 . 1 1 25 25 GLY HA2 H 1 4.31 0.04 . 2 . . . . . . . . 4463 1 205 . 1 1 25 25 GLY HA3 H 1 3.93 0.04 . 2 . . . . . . . . 4463 1 206 . 1 1 25 25 GLY CA C 13 45.78 0.2 . 1 . . . . . . . . 4463 1 207 . 1 1 25 25 GLY H H 1 8.74 0.05 . 1 . . . . . . . . 4463 1 208 . 1 1 26 26 ASP N N 15 119.08 0.5 . 1 . . . . . . . . 4463 1 209 . 1 1 26 26 ASP HA H 1 4.91 0.04 . 1 . . . . . . . . 4463 1 210 . 1 1 26 26 ASP CA C 13 53.33 0.2 . 1 . . . . . . . . 4463 1 211 . 1 1 26 26 ASP CB C 13 41.48 0.2 . 1 . . . . . . . . 4463 1 212 . 1 1 26 26 ASP H H 1 8.32 0.05 . 1 . . . . . . . . 4463 1 213 . 1 1 27 27 TYR N N 15 132 0.5 . 1 . . . . . . . . 4463 1 214 . 1 1 27 27 TYR HA H 1 3.05 0.04 . 1 . . . . . . . . 4463 1 215 . 1 1 27 27 TYR HB2 H 1 2.78 0.04 . 1 . . . . . . . . 4463 1 216 . 1 1 27 27 TYR HB3 H 1 2.78 0.04 . 1 . . . . . . . . 4463 1 217 . 1 1 27 27 TYR HD1 H 1 6.45 0.04 . 1 . . . . . . . . 4463 1 218 . 1 1 27 27 TYR HD2 H 1 6.45 0.04 . 1 . . . . . . . . 4463 1 219 . 1 1 27 27 TYR HE1 H 1 6.62 0.04 . 1 . . . . . . . . 4463 1 220 . 1 1 27 27 TYR HE2 H 1 6.62 0.04 . 1 . . . . . . . . 4463 1 221 . 1 1 27 27 TYR CA C 13 61.54 0.2 . 1 . . . . . . . . 4463 1 222 . 1 1 27 27 TYR CB C 13 38.69 0.2 . 1 . . . . . . . . 4463 1 223 . 1 1 27 27 TYR H H 1 9.14 0.05 . 1 . . . . . . . . 4463 1 224 . 1 1 28 28 GLN N N 15 118.73 0.5 . 1 . . . . . . . . 4463 1 225 . 1 1 28 28 GLN HA H 1 3.62 0.04 . 1 . . . . . . . . 4463 1 226 . 1 1 28 28 GLN HB2 H 1 2.17 0.04 . 1 . . . . . . . . 4463 1 227 . 1 1 28 28 GLN HB3 H 1 2.17 0.04 . 1 . . . . . . . . 4463 1 228 . 1 1 28 28 GLN CA C 13 59.678 0.2 . 1 . . . . . . . . 4463 1 229 . 1 1 28 28 GLN CB C 13 27.814 0.2 . 1 . . . . . . . . 4463 1 230 . 1 1 28 28 GLN NE2 N 15 111.87 0.5 . 1 . . . . . . . . 4463 1 231 . 1 1 28 28 GLN HE21 H 1 6.92 0.04 . 2 . . . . . . . . 4463 1 232 . 1 1 28 28 GLN HE22 H 1 6.65 0.04 . 2 . . . . . . . . 4463 1 233 . 1 1 28 28 GLN H H 1 8.84 0.05 . 1 . . . . . . . . 4463 1 234 . 1 1 29 29 LYS N N 15 119.01 0.5 . 1 . . . . . . . . 4463 1 235 . 1 1 29 29 LYS HA H 1 4 0.04 . 1 . . . . . . . . 4463 1 236 . 1 1 29 29 LYS HB2 H 1 1.76 0.04 . 1 . . . . . . . . 4463 1 237 . 1 1 29 29 LYS HB3 H 1 1.76 0.04 . 1 . . . . . . . . 4463 1 238 . 1 1 29 29 LYS CA C 13 59.46 0.2 . 1 . . . . . . . . 4463 1 239 . 1 1 29 29 LYS CB C 13 32.74 0.2 . 1 . . . . . . . . 4463 1 240 . 1 1 29 29 LYS HD2 H 1 1.59 0.04 . 1 . . . . . . . . 4463 1 241 . 1 1 29 29 LYS HD3 H 1 1.59 0.04 . 1 . . . . . . . . 4463 1 242 . 1 1 29 29 LYS HG2 H 1 1.43 0.04 . 1 . . . . . . . . 4463 1 243 . 1 1 29 29 LYS HG3 H 1 1.43 0.04 . 1 . . . . . . . . 4463 1 244 . 1 1 29 29 LYS H H 1 8.53 0.05 . 1 . . . . . . . . 4463 1 245 . 1 1 30 30 THR N N 15 114.09 0.5 . 1 . . . . . . . . 4463 1 246 . 1 1 30 30 THR HA H 1 3.87 0.04 . 1 . . . . . . . . 4463 1 247 . 1 1 30 30 THR HB H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 248 . 1 1 30 30 THR CA C 13 66.8 0.2 . 1 . . . . . . . . 4463 1 249 . 1 1 30 30 THR CB C 13 67.56 0.2 . 1 . . . . . . . . 4463 1 250 . 1 1 30 30 THR H H 1 8.05 0.05 . 1 . . . . . . . . 4463 1 251 . 1 1 31 31 LEU N N 15 123.11 0.5 . 1 . . . . . . . . 4463 1 252 . 1 1 31 31 LEU HA H 1 3.42 0.04 . 1 . . . . . . . . 4463 1 253 . 1 1 31 31 LEU HB2 H 1 1.5 0.04 . 2 . . . . . . . . 4463 1 254 . 1 1 31 31 LEU HB3 H 1 0.5 0.04 . 2 . . . . . . . . 4463 1 255 . 1 1 31 31 LEU CA C 13 57.71 0.2 . 1 . . . . . . . . 4463 1 256 . 1 1 31 31 LEU CB C 13 40.95 0.2 . 1 . . . . . . . . 4463 1 257 . 1 1 31 31 LEU HD11 H 1 0.72 0.04 . 2 . . . . . . . . 4463 1 258 . 1 1 31 31 LEU HD12 H 1 0.72 0.04 . 2 . . . . . . . . 4463 1 259 . 1 1 31 31 LEU HD13 H 1 0.72 0.04 . 2 . . . . . . . . 4463 1 260 . 1 1 31 31 LEU HD21 H 1 0.46 0.04 . 2 . . . . . . . . 4463 1 261 . 1 1 31 31 LEU HD22 H 1 0.46 0.04 . 2 . . . . . . . . 4463 1 262 . 1 1 31 31 LEU HD23 H 1 0.46 0.04 . 2 . . . . . . . . 4463 1 263 . 1 1 31 31 LEU H H 1 8.5 0.05 . 1 . . . . . . . . 4463 1 264 . 1 1 32 32 ALA N N 15 117.98 0.5 . 1 . . . . . . . . 4463 1 265 . 1 1 32 32 ALA HA H 1 3.85 0.04 . 1 . . . . . . . . 4463 1 266 . 1 1 32 32 ALA HB1 H 1 1.48 0.04 . 1 . . . . . . . . 4463 1 267 . 1 1 32 32 ALA HB2 H 1 1.48 0.04 . 1 . . . . . . . . 4463 1 268 . 1 1 32 32 ALA HB3 H 1 1.48 0.04 . 1 . . . . . . . . 4463 1 269 . 1 1 32 32 ALA CA C 13 55.74 0.2 . 1 . . . . . . . . 4463 1 270 . 1 1 32 32 ALA CB C 13 18.07 0.2 . 1 . . . . . . . . 4463 1 271 . 1 1 32 32 ALA H H 1 7.66 0.05 . 1 . . . . . . . . 4463 1 272 . 1 1 33 33 ILE N N 15 118.32 0.5 . 1 . . . . . . . . 4463 1 273 . 1 1 33 33 ILE HA H 1 3.7 0.04 . 1 . . . . . . . . 4463 1 274 . 1 1 33 33 ILE HB H 1 1.93 0.04 . 1 . . . . . . . . 4463 1 275 . 1 1 33 33 ILE CA C 13 64.28 0.2 . 1 . . . . . . . . 4463 1 276 . 1 1 33 33 ILE CB C 13 37.89 0.2 . 1 . . . . . . . . 4463 1 277 . 1 1 33 33 ILE HD11 H 1 0.9 0.04 . 1 . . . . . . . . 4463 1 278 . 1 1 33 33 ILE HD12 H 1 0.9 0.04 . 1 . . . . . . . . 4463 1 279 . 1 1 33 33 ILE HD13 H 1 0.9 0.04 . 1 . . . . . . . . 4463 1 280 . 1 1 33 33 ILE HG21 H 1 0.98 0.04 . 1 . . . . . . . . 4463 1 281 . 1 1 33 33 ILE HG22 H 1 0.98 0.04 . 1 . . . . . . . . 4463 1 282 . 1 1 33 33 ILE HG23 H 1 0.98 0.04 . 1 . . . . . . . . 4463 1 283 . 1 1 33 33 ILE H H 1 7.35 0.05 . 1 . . . . . . . . 4463 1 284 . 1 1 34 34 ALA N N 15 122.7 0.5 . 1 . . . . . . . . 4463 1 285 . 1 1 34 34 ALA HA H 1 3.42 0.04 . 1 . . . . . . . . 4463 1 286 . 1 1 34 34 ALA HB1 H 1 0.5 0.04 . 1 . . . . . . . . 4463 1 287 . 1 1 34 34 ALA HB2 H 1 0.5 0.04 . 1 . . . . . . . . 4463 1 288 . 1 1 34 34 ALA HB3 H 1 0.5 0.04 . 1 . . . . . . . . 4463 1 289 . 1 1 34 34 ALA CA C 13 55.52 0.2 . 1 . . . . . . . . 4463 1 290 . 1 1 34 34 ALA CB C 13 17.52 0.2 . 1 . . . . . . . . 4463 1 291 . 1 1 34 34 ALA H H 1 8.18 0.05 . 1 . . . . . . . . 4463 1 292 . 1 1 35 35 LEU N N 15 114.5 0.5 . 1 . . . . . . . . 4463 1 293 . 1 1 35 35 LEU HA H 1 3.6 0.04 . 1 . . . . . . . . 4463 1 294 . 1 1 35 35 LEU HB2 H 1 1.6 0.04 . 1 . . . . . . . . 4463 1 295 . 1 1 35 35 LEU HB3 H 1 1.6 0.04 . 1 . . . . . . . . 4463 1 296 . 1 1 35 35 LEU CA C 13 58.36 0.2 . 1 . . . . . . . . 4463 1 297 . 1 1 35 35 LEU CB C 13 40.08 0.2 . 1 . . . . . . . . 4463 1 298 . 1 1 35 35 LEU H H 1 8.51 0.05 . 1 . . . . . . . . 4463 1 299 . 1 1 36 36 LYS N N 15 118.67 0.5 . 1 . . . . . . . . 4463 1 300 . 1 1 36 36 LYS HA H 1 4.17 0.04 . 1 . . . . . . . . 4463 1 301 . 1 1 36 36 LYS HB2 H 1 1.98 0.04 . 1 . . . . . . . . 4463 1 302 . 1 1 36 36 LYS HB3 H 1 1.98 0.04 . 1 . . . . . . . . 4463 1 303 . 1 1 36 36 LYS CA C 13 59.24 0.2 . 1 . . . . . . . . 4463 1 304 . 1 1 36 36 LYS CB C 13 31.65 0.2 . 1 . . . . . . . . 4463 1 305 . 1 1 36 36 LYS HD2 H 1 1.58 0.04 . 1 . . . . . . . . 4463 1 306 . 1 1 36 36 LYS HD3 H 1 1.58 0.04 . 1 . . . . . . . . 4463 1 307 . 1 1 36 36 LYS HG2 H 1 1.53 0.04 . 1 . . . . . . . . 4463 1 308 . 1 1 36 36 LYS HG3 H 1 1.53 0.04 . 1 . . . . . . . . 4463 1 309 . 1 1 36 36 LYS H H 1 7.3 0.05 . 1 . . . . . . . . 4463 1 310 . 1 1 37 37 LYS N N 15 118.87 0.5 . 1 . . . . . . . . 4463 1 311 . 1 1 37 37 LYS HA H 1 4.09 0.04 . 1 . . . . . . . . 4463 1 312 . 1 1 37 37 LYS HB2 H 1 1.77 0.04 . 1 . . . . . . . . 4463 1 313 . 1 1 37 37 LYS HB3 H 1 1.77 0.04 . 1 . . . . . . . . 4463 1 314 . 1 1 37 37 LYS CA C 13 58.91 0.2 . 1 . . . . . . . . 4463 1 315 . 1 1 37 37 LYS CB C 13 31.87 0.2 . 1 . . . . . . . . 4463 1 316 . 1 1 37 37 LYS HG2 H 1 1.43 0.04 . 1 . . . . . . . . 4463 1 317 . 1 1 37 37 LYS HG3 H 1 1.43 0.04 . 1 . . . . . . . . 4463 1 318 . 1 1 37 37 LYS H H 1 7.88 0.05 . 1 . . . . . . . . 4463 1 319 . 1 1 38 38 PHE N N 15 118.53 0.5 . 1 . . . . . . . . 4463 1 320 . 1 1 38 38 PHE HA H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 321 . 1 1 38 38 PHE HB2 H 1 3.6 0.04 . 2 . . . . . . . . 4463 1 322 . 1 1 38 38 PHE HB3 H 1 2.4 0.04 . 2 . . . . . . . . 4463 1 323 . 1 1 38 38 PHE HD1 H 1 7.05 0.04 . 1 . . . . . . . . 4463 1 324 . 1 1 38 38 PHE HD2 H 1 7.05 0.04 . 1 . . . . . . . . 4463 1 325 . 1 1 38 38 PHE CA C 13 59.24 0.2 . 1 . . . . . . . . 4463 1 326 . 1 1 38 38 PHE CB C 13 40.41 0.2 . 1 . . . . . . . . 4463 1 327 . 1 1 38 38 PHE H H 1 7.65 0.05 . 1 . . . . . . . . 4463 1 328 . 1 1 39 39 SER N N 15 112.44 0.5 . 1 . . . . . . . . 4463 1 329 . 1 1 39 39 SER HA H 1 4.13 0.04 . 1 . . . . . . . . 4463 1 330 . 1 1 39 39 SER CA C 13 59.46 0.2 . 1 . . . . . . . . 4463 1 331 . 1 1 39 39 SER CB C 13 61.32 0.2 . 1 . . . . . . . . 4463 1 332 . 1 1 39 39 SER H H 1 7.94 0.05 . 1 . . . . . . . . 4463 1 333 . 1 1 40 40 LEU N N 15 119.9 0.5 . 1 . . . . . . . . 4463 1 334 . 1 1 40 40 LEU HA H 1 4.6 0.04 . 1 . . . . . . . . 4463 1 335 . 1 1 40 40 LEU HB2 H 1 1.27 0.04 . 2 . . . . . . . . 4463 1 336 . 1 1 40 40 LEU HB3 H 1 0.97 0.04 . 2 . . . . . . . . 4463 1 337 . 1 1 40 40 LEU CA C 13 53 0.2 . 1 . . . . . . . . 4463 1 338 . 1 1 40 40 LEU CB C 13 44.13 0.2 . 1 . . . . . . . . 4463 1 339 . 1 1 40 40 LEU HG H 1 0.81 0.04 . 1 . . . . . . . . 4463 1 340 . 1 1 40 40 LEU H H 1 8.05 0.05 . 1 . . . . . . . . 4463 1 341 . 1 1 41 41 GLU N N 15 118.26 0.5 . 1 . . . . . . . . 4463 1 342 . 1 1 41 41 GLU HA H 1 4.38 0.04 . 1 . . . . . . . . 4463 1 343 . 1 1 41 41 GLU HB2 H 1 2.04 0.04 . 2 . . . . . . . . 4463 1 344 . 1 1 41 41 GLU HB3 H 1 1.9 0.04 . 2 . . . . . . . . 4463 1 345 . 1 1 41 41 GLU CA C 13 56.06 0.2 . 1 . . . . . . . . 4463 1 346 . 1 1 41 41 GLU CB C 13 32.85 0.2 . 1 . . . . . . . . 4463 1 347 . 1 1 41 41 GLU HG2 H 1 2.42 0.04 . 2 . . . . . . . . 4463 1 348 . 1 1 41 41 GLU HG3 H 1 2.2 0.04 . 2 . . . . . . . . 4463 1 349 . 1 1 41 41 GLU H H 1 8.05 0.05 . 1 . . . . . . . . 4463 1 350 . 1 1 42 42 ASP N N 15 115.25 0.5 . 1 . . . . . . . . 4463 1 351 . 1 1 42 42 ASP HA H 1 4.19 0.04 . 1 . . . . . . . . 4463 1 352 . 1 1 42 42 ASP HB2 H 1 3.72 0.04 . 2 . . . . . . . . 4463 1 353 . 1 1 42 42 ASP HB3 H 1 2.56 0.04 . 2 . . . . . . . . 4463 1 354 . 1 1 42 42 ASP CA C 13 56.07 0.2 . 1 . . . . . . . . 4463 1 355 . 1 1 42 42 ASP CB C 13 38.98 0.2 . 1 . . . . . . . . 4463 1 356 . 1 1 42 42 ASP H H 1 8.32 0.05 . 1 . . . . . . . . 4463 1 357 . 1 1 43 43 ALA N N 15 125.23 0.5 . 1 . . . . . . . . 4463 1 358 . 1 1 43 43 ALA HA H 1 4.01 0.04 . 1 . . . . . . . . 4463 1 359 . 1 1 43 43 ALA HB1 H 1 1.36 0.04 . 1 . . . . . . . . 4463 1 360 . 1 1 43 43 ALA HB2 H 1 1.36 0.04 . 1 . . . . . . . . 4463 1 361 . 1 1 43 43 ALA HB3 H 1 1.36 0.04 . 1 . . . . . . . . 4463 1 362 . 1 1 43 43 ALA CA C 13 54.97 0.2 . 1 . . . . . . . . 4463 1 363 . 1 1 43 43 ALA CB C 13 18.29 0.2 . 1 . . . . . . . . 4463 1 364 . 1 1 43 43 ALA H H 1 8.73 0.05 . 1 . . . . . . . . 4463 1 365 . 1 1 44 44 SER N N 15 111.9 0.5 . 1 . . . . . . . . 4463 1 366 . 1 1 44 44 SER HA H 1 4.39 0.04 . 1 . . . . . . . . 4463 1 367 . 1 1 44 44 SER HB2 H 1 3.98 0.04 . 1 . . . . . . . . 4463 1 368 . 1 1 44 44 SER HB3 H 1 3.98 0.04 . 1 . . . . . . . . 4463 1 369 . 1 1 44 44 SER CA C 13 60.66 0.2 . 1 . . . . . . . . 4463 1 370 . 1 1 44 44 SER CB C 13 63.07 0.2 . 1 . . . . . . . . 4463 1 371 . 1 1 44 44 SER H H 1 8.33 0.05 . 1 . . . . . . . . 4463 1 372 . 1 1 45 45 LYS N N 15 119.35 0.5 . 1 . . . . . . . . 4463 1 373 . 1 1 45 45 LYS HA H 1 4.23 0.04 . 1 . . . . . . . . 4463 1 374 . 1 1 45 45 LYS HB2 H 1 1.74 0.04 . 2 . . . . . . . . 4463 1 375 . 1 1 45 45 LYS HB3 H 1 1.59 0.04 . 2 . . . . . . . . 4463 1 376 . 1 1 45 45 LYS CA C 13 55.95 0.2 . 1 . . . . . . . . 4463 1 377 . 1 1 45 45 LYS CB C 13 32.74 0.2 . 1 . . . . . . . . 4463 1 378 . 1 1 45 45 LYS HG2 H 1 1.38 0.04 . 2 . . . . . . . . 4463 1 379 . 1 1 45 45 LYS HG3 H 1 1.34 0.04 . 2 . . . . . . . . 4463 1 380 . 1 1 45 45 LYS H H 1 7.96 0.05 . 1 . . . . . . . . 4463 1 381 . 1 1 46 46 PHE N N 15 118.53 0.5 . 1 . . . . . . . . 4463 1 382 . 1 1 46 46 PHE HA H 1 5.21 0.04 . 1 . . . . . . . . 4463 1 383 . 1 1 46 46 PHE HB2 H 1 2.46 0.04 . 1 . . . . . . . . 4463 1 384 . 1 1 46 46 PHE HB3 H 1 2.46 0.04 . 1 . . . . . . . . 4463 1 385 . 1 1 46 46 PHE HD1 H 1 7.01 0.04 . 1 . . . . . . . . 4463 1 386 . 1 1 46 46 PHE HD2 H 1 7.01 0.04 . 1 . . . . . . . . 4463 1 387 . 1 1 46 46 PHE HE1 H 1 7.36 0.04 . 1 . . . . . . . . 4463 1 388 . 1 1 46 46 PHE HE2 H 1 7.36 0.04 . 1 . . . . . . . . 4463 1 389 . 1 1 46 46 PHE HZ H 1 7.31 0.04 . 1 . . . . . . . . 4463 1 390 . 1 1 46 46 PHE CA C 13 57.82 0.2 . 1 . . . . . . . . 4463 1 391 . 1 1 46 46 PHE CB C 13 44.24 0.2 . 1 . . . . . . . . 4463 1 392 . 1 1 46 46 PHE H H 1 7.6 0.05 . 1 . . . . . . . . 4463 1 393 . 1 1 47 47 ILE N N 15 115.52 0.5 . 1 . . . . . . . . 4463 1 394 . 1 1 47 47 ILE HA H 1 4.6 0.04 . 1 . . . . . . . . 4463 1 395 . 1 1 47 47 ILE HB H 1 2.06 0.04 . 1 . . . . . . . . 4463 1 396 . 1 1 47 47 ILE CA C 13 60.01 0.2 . 1 . . . . . . . . 4463 1 397 . 1 1 47 47 ILE CB C 13 42.27 0.2 . 1 . . . . . . . . 4463 1 398 . 1 1 47 47 ILE HD11 H 1 1.04 0.04 . 1 . . . . . . . . 4463 1 399 . 1 1 47 47 ILE HD12 H 1 1.04 0.04 . 1 . . . . . . . . 4463 1 400 . 1 1 47 47 ILE HD13 H 1 1.04 0.04 . 1 . . . . . . . . 4463 1 401 . 1 1 47 47 ILE HG21 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 402 . 1 1 47 47 ILE HG22 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 403 . 1 1 47 47 ILE HG23 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 404 . 1 1 47 47 ILE H H 1 9.26 0.05 . 1 . . . . . . . . 4463 1 405 . 1 1 48 48 VAL N N 15 119.21 0.5 . 1 . . . . . . . . 4463 1 406 . 1 1 48 48 VAL HA H 1 5.32 0.04 . 1 . . . . . . . . 4463 1 407 . 1 1 48 48 VAL HB H 1 2.18 0.04 . 1 . . . . . . . . 4463 1 408 . 1 1 48 48 VAL CA C 13 60.34 0.2 . 1 . . . . . . . . 4463 1 409 . 1 1 48 48 VAL CB C 13 34.06 0.2 . 1 . . . . . . . . 4463 1 410 . 1 1 48 48 VAL HG11 H 1 1.14 0.04 . 2 . . . . . . . . 4463 1 411 . 1 1 48 48 VAL HG12 H 1 1.14 0.04 . 2 . . . . . . . . 4463 1 412 . 1 1 48 48 VAL HG13 H 1 1.14 0.04 . 2 . . . . . . . . 4463 1 413 . 1 1 48 48 VAL HG21 H 1 1.07 0.04 . 2 . . . . . . . . 4463 1 414 . 1 1 48 48 VAL HG22 H 1 1.07 0.04 . 2 . . . . . . . . 4463 1 415 . 1 1 48 48 VAL HG23 H 1 1.07 0.04 . 2 . . . . . . . . 4463 1 416 . 1 1 48 48 VAL H H 1 8.09 0.05 . 1 . . . . . . . . 4463 1 417 . 1 1 49 49 CYS N N 15 122.43 0.5 . 1 . . . . . . . . 4463 1 418 . 1 1 49 49 CYS HA H 1 5.76 0.04 . 1 . . . . . . . . 4463 1 419 . 1 1 49 49 CYS HB2 H 1 2.78 0.04 . 1 . . . . . . . . 4463 1 420 . 1 1 49 49 CYS HB3 H 1 2.78 0.04 . 1 . . . . . . . . 4463 1 421 . 1 1 49 49 CYS CA C 13 55.52 0.2 . 1 . . . . . . . . 4463 1 422 . 1 1 49 49 CYS CB C 13 33.62 0.2 . 1 . . . . . . . . 4463 1 423 . 1 1 49 49 CYS H H 1 10.01 0.05 . 1 . . . . . . . . 4463 1 424 . 1 1 50 50 VAL N N 15 110.8 0.5 . 1 . . . . . . . . 4463 1 425 . 1 1 50 50 VAL HA H 1 4.85 0.04 . 1 . . . . . . . . 4463 1 426 . 1 1 50 50 VAL HB H 1 2.08 0.04 . 1 . . . . . . . . 4463 1 427 . 1 1 50 50 VAL CA C 13 59.57 0.2 . 1 . . . . . . . . 4463 1 428 . 1 1 50 50 VAL CB C 13 36.46 0.2 . 1 . . . . . . . . 4463 1 429 . 1 1 50 50 VAL HG11 H 1 1.02 0.04 . 2 . . . . . . . . 4463 1 430 . 1 1 50 50 VAL HG12 H 1 1.02 0.04 . 2 . . . . . . . . 4463 1 431 . 1 1 50 50 VAL HG13 H 1 1.02 0.04 . 2 . . . . . . . . 4463 1 432 . 1 1 50 50 VAL HG21 H 1 0.92 0.04 . 2 . . . . . . . . 4463 1 433 . 1 1 50 50 VAL HG22 H 1 0.92 0.04 . 2 . . . . . . . . 4463 1 434 . 1 1 50 50 VAL HG23 H 1 0.92 0.04 . 2 . . . . . . . . 4463 1 435 . 1 1 50 50 VAL H H 1 8.81 0.05 . 1 . . . . . . . . 4463 1 436 . 1 1 51 51 SER N N 15 116.07 0.5 . 1 . . . . . . . . 4463 1 437 . 1 1 51 51 SER HA H 1 5.07 0.04 . 1 . . . . . . . . 4463 1 438 . 1 1 51 51 SER HB2 H 1 3.72 0.04 . 2 . . . . . . . . 4463 1 439 . 1 1 51 51 SER HB3 H 1 3.48 0.04 . 2 . . . . . . . . 4463 1 440 . 1 1 51 51 SER CA C 13 56.28 0.2 . 1 . . . . . . . . 4463 1 441 . 1 1 51 51 SER H H 1 8.76 0.05 . 1 . . . . . . . . 4463 1 442 . 1 1 52 52 GLN N N 15 127.28 0.5 . 1 . . . . . . . . 4463 1 443 . 1 1 52 52 GLN HA H 1 4.74 0.04 . 1 . . . . . . . . 4463 1 444 . 1 1 52 52 GLN HB2 H 1 2.06 0.04 . 2 . . . . . . . . 4463 1 445 . 1 1 52 52 GLN HB3 H 1 1.94 0.04 . 2 . . . . . . . . 4463 1 446 . 1 1 52 52 GLN CA C 13 54.97 0.2 . 1 . . . . . . . . 4463 1 447 . 1 1 52 52 GLN CB C 13 30.55 0.2 . 1 . . . . . . . . 4463 1 448 . 1 1 52 52 GLN H H 1 8.88 0.05 . 1 . . . . . . . . 4463 1 449 . 1 1 53 53 SER N N 15 123.47 0.5 . 1 . . . . . . . . 4463 1 450 . 1 1 53 53 SER HA H 1 4.13 0.04 . 1 . . . . . . . . 4463 1 451 . 1 1 53 53 SER HB2 H 1 3.91 0.04 . 1 . . . . . . . . 4463 1 452 . 1 1 53 53 SER HB3 H 1 3.91 0.04 . 1 . . . . . . . . 4463 1 453 . 1 1 53 53 SER CA C 13 61.91 0.2 . 1 . . . . . . . . 4463 1 454 . 1 1 53 53 SER CB C 13 59.39 0.2 . 1 . . . . . . . . 4463 1 455 . 1 1 53 53 SER H H 1 9.91 0.05 . 1 . . . . . . . . 4463 1 456 . 1 1 54 54 SER N N 15 110.81 0.5 . 1 . . . . . . . . 4463 1 457 . 1 1 54 54 SER HA H 1 4.15 0.04 . 1 . . . . . . . . 4463 1 458 . 1 1 54 54 SER HB2 H 1 3.99 0.04 . 1 . . . . . . . . 4463 1 459 . 1 1 54 54 SER HB3 H 1 3.99 0.04 . 1 . . . . . . . . 4463 1 460 . 1 1 54 54 SER CA C 13 60.12 0.2 . 1 . . . . . . . . 4463 1 461 . 1 1 54 54 SER CB C 13 62.89 0.2 . 1 . . . . . . . . 4463 1 462 . 1 1 54 54 SER H H 1 8.49 0.05 . 1 . . . . . . . . 4463 1 463 . 1 1 55 55 ARG N N 15 120.51 0.5 . 1 . . . . . . . . 4463 1 464 . 1 1 55 55 ARG HA H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 465 . 1 1 55 55 ARG HB2 H 1 1.89 0.04 . 2 . . . . . . . . 4463 1 466 . 1 1 55 55 ARG HB3 H 1 1.62 0.04 . 2 . . . . . . . . 4463 1 467 . 1 1 55 55 ARG CA C 13 54.86 0.2 . 1 . . . . . . . . 4463 1 468 . 1 1 55 55 ARG CB C 13 31.98 0.2 . 1 . . . . . . . . 4463 1 469 . 1 1 55 55 ARG H H 1 7.89 0.05 . 1 . . . . . . . . 4463 1 470 . 1 1 56 56 ILE N N 15 122.49 0.5 . 1 . . . . . . . . 4463 1 471 . 1 1 56 56 ILE HA H 1 4.76 0.04 . 1 . . . . . . . . 4463 1 472 . 1 1 56 56 ILE HB H 1 1.98 0.04 . 1 . . . . . . . . 4463 1 473 . 1 1 56 56 ILE CA C 13 58.91 0.2 . 1 . . . . . . . . 4463 1 474 . 1 1 56 56 ILE CB C 13 37.34 0.2 . 1 . . . . . . . . 4463 1 475 . 1 1 56 56 ILE HG21 H 1 0.82 0.04 . 1 . . . . . . . . 4463 1 476 . 1 1 56 56 ILE HG22 H 1 0.82 0.04 . 1 . . . . . . . . 4463 1 477 . 1 1 56 56 ILE HG23 H 1 0.82 0.04 . 1 . . . . . . . . 4463 1 478 . 1 1 56 56 ILE H H 1 8.6 0.05 . 1 . . . . . . . . 4463 1 479 . 1 1 57 57 LYS N N 15 129.26 0.5 . 1 . . . . . . . . 4463 1 480 . 1 1 57 57 LYS HA H 1 4.72 0.04 . 1 . . . . . . . . 4463 1 481 . 1 1 57 57 LYS HB2 H 1 1.66 0.04 . 2 . . . . . . . . 4463 1 482 . 1 1 57 57 LYS HB3 H 1 1.64 0.04 . 2 . . . . . . . . 4463 1 483 . 1 1 57 57 LYS CA C 13 54.64 0.2 . 1 . . . . . . . . 4463 1 484 . 1 1 57 57 LYS CB C 13 35.37 0.2 . 1 . . . . . . . . 4463 1 485 . 1 1 57 57 LYS HG2 H 1 1.53 0.04 . 1 . . . . . . . . 4463 1 486 . 1 1 57 57 LYS HG3 H 1 1.53 0.04 . 1 . . . . . . . . 4463 1 487 . 1 1 57 57 LYS H H 1 9.06 0.05 . 1 . . . . . . . . 4463 1 488 . 1 1 58 58 LEU N N 15 127.62 0.5 . 1 . . . . . . . . 4463 1 489 . 1 1 58 58 LEU HA H 1 4.53 0.04 . 1 . . . . . . . . 4463 1 490 . 1 1 58 58 LEU CA C 13 55.298 0.2 . 1 . . . . . . . . 4463 1 491 . 1 1 58 58 LEU CB C 13 41.501 0.2 . 1 . . . . . . . . 4463 1 492 . 1 1 58 58 LEU H H 1 8.82 0.05 . 1 . . . . . . . . 4463 1 493 . 1 1 59 59 ILE N N 15 124.27 0.5 . 1 . . . . . . . . 4463 1 494 . 1 1 59 59 ILE HA H 1 4.62 0.04 . 1 . . . . . . . . 4463 1 495 . 1 1 59 59 ILE HB H 1 2.09 0.04 . 1 . . . . . . . . 4463 1 496 . 1 1 59 59 ILE CA C 13 58.26 0.2 . 1 . . . . . . . . 4463 1 497 . 1 1 59 59 ILE HD11 H 1 0.87 0.04 . 1 . . . . . . . . 4463 1 498 . 1 1 59 59 ILE HD12 H 1 0.87 0.04 . 1 . . . . . . . . 4463 1 499 . 1 1 59 59 ILE HD13 H 1 0.87 0.04 . 1 . . . . . . . . 4463 1 500 . 1 1 59 59 ILE HG21 H 1 0.99 0.04 . 1 . . . . . . . . 4463 1 501 . 1 1 59 59 ILE HG22 H 1 0.99 0.04 . 1 . . . . . . . . 4463 1 502 . 1 1 59 59 ILE HG23 H 1 0.99 0.04 . 1 . . . . . . . . 4463 1 503 . 1 1 59 59 ILE H H 1 8.46 0.05 . 1 . . . . . . . . 4463 1 504 . 1 1 60 60 THR N N 15 117.09 0.5 . 1 . . . . . . . . 4463 1 505 . 1 1 60 60 THR HA H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 506 . 1 1 60 60 THR HB H 1 4.73 0.04 . 1 . . . . . . . . 4463 1 507 . 1 1 60 60 THR CA C 13 60.23 0.2 . 1 . . . . . . . . 4463 1 508 . 1 1 60 60 THR CB C 13 71.29 0.2 . 1 . . . . . . . . 4463 1 509 . 1 1 60 60 THR HG21 H 1 1.36 0.04 . 1 . . . . . . . . 4463 1 510 . 1 1 60 60 THR HG22 H 1 1.36 0.04 . 1 . . . . . . . . 4463 1 511 . 1 1 60 60 THR HG23 H 1 1.36 0.04 . 1 . . . . . . . . 4463 1 512 . 1 1 60 60 THR H H 1 8.48 0.05 . 1 . . . . . . . . 4463 1 513 . 1 1 61 61 GLU N N 15 120.38 0.5 . 1 . . . . . . . . 4463 1 514 . 1 1 61 61 GLU HA H 1 3.62 0.04 . 1 . . . . . . . . 4463 1 515 . 1 1 61 61 GLU HB2 H 1 2.04 0.04 . 2 . . . . . . . . 4463 1 516 . 1 1 61 61 GLU HB3 H 1 1.96 0.04 . 2 . . . . . . . . 4463 1 517 . 1 1 61 61 GLU CA C 13 60.88 0.2 . 1 . . . . . . . . 4463 1 518 . 1 1 61 61 GLU CB C 13 28.91 0.2 . 1 . . . . . . . . 4463 1 519 . 1 1 61 61 GLU HG2 H 1 2.2 0.04 . 2 . . . . . . . . 4463 1 520 . 1 1 61 61 GLU HG3 H 1 2.17 0.04 . 2 . . . . . . . . 4463 1 521 . 1 1 61 61 GLU H H 1 8.93 0.05 . 1 . . . . . . . . 4463 1 522 . 1 1 62 62 GLU N N 15 118.73 0.5 . 1 . . . . . . . . 4463 1 523 . 1 1 62 62 GLU HA H 1 4.15 0.04 . 1 . . . . . . . . 4463 1 524 . 1 1 62 62 GLU HB2 H 1 2.1 0.04 . 2 . . . . . . . . 4463 1 525 . 1 1 62 62 GLU HB3 H 1 2 0.04 . 2 . . . . . . . . 4463 1 526 . 1 1 62 62 GLU CA C 13 59.57 0.2 . 1 . . . . . . . . 4463 1 527 . 1 1 62 62 GLU CB C 13 29.02 0.2 . 1 . . . . . . . . 4463 1 528 . 1 1 62 62 GLU HG2 H 1 2.4 0.04 . 2 . . . . . . . . 4463 1 529 . 1 1 62 62 GLU HG3 H 1 2.33 0.04 . 2 . . . . . . . . 4463 1 530 . 1 1 62 62 GLU H H 1 8.57 0.05 . 1 . . . . . . . . 4463 1 531 . 1 1 63 63 GLU N N 15 120.85 0.5 . 1 . . . . . . . . 4463 1 532 . 1 1 63 63 GLU HA H 1 4.09 0.04 . 1 . . . . . . . . 4463 1 533 . 1 1 63 63 GLU HB2 H 1 2.1 0.04 . 2 . . . . . . . . 4463 1 534 . 1 1 63 63 GLU HB3 H 1 1.98 0.04 . 2 . . . . . . . . 4463 1 535 . 1 1 63 63 GLU CA C 13 59.13 0.2 . 1 . . . . . . . . 4463 1 536 . 1 1 63 63 GLU CB C 13 29.56 0.2 . 1 . . . . . . . . 4463 1 537 . 1 1 63 63 GLU HG2 H 1 2.39 0.04 . 2 . . . . . . . . 4463 1 538 . 1 1 63 63 GLU HG3 H 1 2.36 0.04 . 2 . . . . . . . . 4463 1 539 . 1 1 63 63 GLU H H 1 7.82 0.05 . 1 . . . . . . . . 4463 1 540 . 1 1 64 64 PHE N N 15 120.58 0.5 . 1 . . . . . . . . 4463 1 541 . 1 1 64 64 PHE HA H 1 3.85 0.04 . 1 . . . . . . . . 4463 1 542 . 1 1 64 64 PHE HB2 H 1 3.44 0.04 . 2 . . . . . . . . 4463 1 543 . 1 1 64 64 PHE HB3 H 1 3.05 0.04 . 2 . . . . . . . . 4463 1 544 . 1 1 64 64 PHE HD1 H 1 7.05 0.04 . 1 . . . . . . . . 4463 1 545 . 1 1 64 64 PHE HD2 H 1 7.05 0.04 . 1 . . . . . . . . 4463 1 546 . 1 1 64 64 PHE HE1 H 1 6.98 0.04 . 1 . . . . . . . . 4463 1 547 . 1 1 64 64 PHE HE2 H 1 6.98 0.04 . 1 . . . . . . . . 4463 1 548 . 1 1 64 64 PHE CA C 13 62.09 0.2 . 1 . . . . . . . . 4463 1 549 . 1 1 64 64 PHE CB C 13 39.53 0.2 . 1 . . . . . . . . 4463 1 550 . 1 1 64 64 PHE H H 1 8.96 0.05 . 1 . . . . . . . . 4463 1 551 . 1 1 65 65 LYS N N 15 119.01 0.5 . 1 . . . . . . . . 4463 1 552 . 1 1 65 65 LYS HA H 1 3.74 0.04 . 1 . . . . . . . . 4463 1 553 . 1 1 65 65 LYS HB2 H 1 2.1 0.04 . 2 . . . . . . . . 4463 1 554 . 1 1 65 65 LYS HB3 H 1 2.01 0.04 . 2 . . . . . . . . 4463 1 555 . 1 1 65 65 LYS CA C 13 60.55 0.2 . 1 . . . . . . . . 4463 1 556 . 1 1 65 65 LYS CB C 13 32.19 0.2 . 1 . . . . . . . . 4463 1 557 . 1 1 65 65 LYS H H 1 7.96 0.05 . 1 . . . . . . . . 4463 1 558 . 1 1 66 66 GLN N N 15 117.16 0.5 . 1 . . . . . . . . 4463 1 559 . 1 1 66 66 GLN HA H 1 4.03 0.04 . 1 . . . . . . . . 4463 1 560 . 1 1 66 66 GLN HB2 H 1 2.23 0.04 . 1 . . . . . . . . 4463 1 561 . 1 1 66 66 GLN HB3 H 1 2.23 0.04 . 1 . . . . . . . . 4463 1 562 . 1 1 66 66 GLN CA C 13 58.91 0.2 . 1 . . . . . . . . 4463 1 563 . 1 1 66 66 GLN CB C 13 26.92 0.2 . 1 . . . . . . . . 4463 1 564 . 1 1 66 66 GLN HG2 H 1 2.56 0.04 . 2 . . . . . . . . 4463 1 565 . 1 1 66 66 GLN HG3 H 1 2.5 0.04 . 2 . . . . . . . . 4463 1 566 . 1 1 66 66 GLN HE21 H 1 7.61 0.04 . 2 . . . . . . . . 4463 1 567 . 1 1 66 66 GLN NE2 N 15 111.62 0.5 . 1 . . . . . . . . 4463 1 568 . 1 1 66 66 GLN HE22 H 1 6.87 0.04 . 2 . . . . . . . . 4463 1 569 . 1 1 66 66 GLN H H 1 7.49 0.05 . 1 . . . . . . . . 4463 1 570 . 1 1 67 67 ILE N N 15 120.62 0.5 . 1 . . . . . . . . 4463 1 571 . 1 1 67 67 ILE HA H 1 3.8 0.04 . 1 . . . . . . . . 4463 1 572 . 1 1 67 67 ILE HB H 1 1.97 0.04 . 1 . . . . . . . . 4463 1 573 . 1 1 67 67 ILE CA C 13 64.71 0.2 . 1 . . . . . . . . 4463 1 574 . 1 1 67 67 ILE CB C 13 38.33 0.2 . 1 . . . . . . . . 4463 1 575 . 1 1 67 67 ILE HD11 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 576 . 1 1 67 67 ILE HD12 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 577 . 1 1 67 67 ILE HD13 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 578 . 1 1 67 67 ILE HG21 H 1 1 0.04 . 1 . . . . . . . . 4463 1 579 . 1 1 67 67 ILE HG22 H 1 1 0.04 . 1 . . . . . . . . 4463 1 580 . 1 1 67 67 ILE HG23 H 1 1 0.04 . 1 . . . . . . . . 4463 1 581 . 1 1 67 67 ILE H H 1 8.18 0.05 . 1 . . . . . . . . 4463 1 582 . 1 1 68 68 CYS N N 15 115.25 0.5 . 1 . . . . . . . . 4463 1 583 . 1 1 68 68 CYS HA H 1 3.93 0.04 . 1 . . . . . . . . 4463 1 584 . 1 1 68 68 CYS HB2 H 1 2.32 0.04 . 1 . . . . . . . . 4463 1 585 . 1 1 68 68 CYS HB3 H 1 2.32 0.04 . 1 . . . . . . . . 4463 1 586 . 1 1 68 68 CYS CA C 13 62.85 0.2 . 1 . . . . . . . . 4463 1 587 . 1 1 68 68 CYS CB C 13 26.61 0.2 . 1 . . . . . . . . 4463 1 588 . 1 1 68 68 CYS H H 1 7.42 0.05 . 1 . . . . . . . . 4463 1 589 . 1 1 69 69 PHE N N 15 117.98 0.5 . 1 . . . . . . . . 4463 1 590 . 1 1 69 69 PHE HA H 1 4.46 0.04 . 1 . . . . . . . . 4463 1 591 . 1 1 69 69 PHE HB2 H 1 3.25 0.04 . 2 . . . . . . . . 4463 1 592 . 1 1 69 69 PHE HB3 H 1 3.03 0.04 . 2 . . . . . . . . 4463 1 593 . 1 1 69 69 PHE HD1 H 1 7.2 0.04 . 1 . . . . . . . . 4463 1 594 . 1 1 69 69 PHE HD2 H 1 7.2 0.04 . 1 . . . . . . . . 4463 1 595 . 1 1 69 69 PHE HE1 H 1 7.31 0.04 . 1 . . . . . . . . 4463 1 596 . 1 1 69 69 PHE HE2 H 1 7.31 0.04 . 1 . . . . . . . . 4463 1 597 . 1 1 69 69 PHE CA C 13 58.47 0.2 . 1 . . . . . . . . 4463 1 598 . 1 1 69 69 PHE CB C 13 39.31 0.2 . 1 . . . . . . . . 4463 1 599 . 1 1 69 69 PHE H H 1 8 0.05 . 1 . . . . . . . . 4463 1 600 . 1 1 70 70 ASN N N 15 117.91 0.5 . 1 . . . . . . . . 4463 1 601 . 1 1 70 70 ASN HA H 1 4.89 0.04 . 1 . . . . . . . . 4463 1 602 . 1 1 70 70 ASN HB2 H 1 3.17 0.04 . 2 . . . . . . . . 4463 1 603 . 1 1 70 70 ASN HB3 H 1 2.85 0.04 . 2 . . . . . . . . 4463 1 604 . 1 1 70 70 ASN CA C 13 52.12 0.2 . 1 . . . . . . . . 4463 1 605 . 1 1 70 70 ASN CB C 13 38.33 0.2 . 1 . . . . . . . . 4463 1 606 . 1 1 70 70 ASN HD21 H 1 7.79 0.04 . 2 . . . . . . . . 4463 1 607 . 1 1 70 70 ASN ND2 N 15 113.37 0.5 . 1 . . . . . . . . 4463 1 608 . 1 1 70 70 ASN HD22 H 1 7.14 0.04 . 2 . . . . . . . . 4463 1 609 . 1 1 70 70 ASN H H 1 7.75 0.05 . 1 . . . . . . . . 4463 1 610 . 1 1 71 71 SER N N 15 111.62 0.5 . 1 . . . . . . . . 4463 1 611 . 1 1 71 71 SER HA H 1 3.99 0.04 . 1 . . . . . . . . 4463 1 612 . 1 1 71 71 SER CA C 13 61.25 0.2 . 1 . . . . . . . . 4463 1 613 . 1 1 71 71 SER CB C 13 63.11 0.2 . 1 . . . . . . . . 4463 1 614 . 1 1 71 71 SER H H 1 7.75 0.05 . 1 . . . . . . . . 4463 1 615 . 1 1 72 72 SER N N 15 114.77 0.5 . 1 . . . . . . . . 4463 1 616 . 1 1 72 72 SER HA H 1 4.58 0.04 . 1 . . . . . . . . 4463 1 617 . 1 1 72 72 SER HB2 H 1 3.95 0.04 . 1 . . . . . . . . 4463 1 618 . 1 1 72 72 SER HB3 H 1 3.95 0.04 . 1 . . . . . . . . 4463 1 619 . 1 1 72 72 SER CA C 13 57.82 0.2 . 1 . . . . . . . . 4463 1 620 . 1 1 72 72 SER CB C 13 63.62 0.2 . 1 . . . . . . . . 4463 1 621 . 1 1 72 72 SER H H 1 8.13 0.05 . 1 . . . . . . . . 4463 1 622 . 1 1 73 73 SER N N 15 118.94 0.5 . 1 . . . . . . . . 4463 1 623 . 1 1 73 73 SER CA C 13 56.83 0.2 . 1 . . . . . . . . 4463 1 624 . 1 1 73 73 SER CB C 13 63.62 0.2 . 1 . . . . . . . . 4463 1 625 . 1 1 73 73 SER H H 1 7.7 0.05 . 1 . . . . . . . . 4463 1 626 . 1 1 74 74 PRO HA H 1 4.44 0.04 . 1 . . . . . . . . 4463 1 627 . 1 1 74 74 PRO HB2 H 1 2.3 0.04 . 2 . . . . . . . . 4463 1 628 . 1 1 74 74 PRO HB3 H 1 2.13 0.04 . 2 . . . . . . . . 4463 1 629 . 1 1 74 74 PRO CA C 13 64.1 0.2 . 1 . . . . . . . . 4463 1 630 . 1 1 74 74 PRO CB C 13 32.45 0.2 . 1 . . . . . . . . 4463 1 631 . 1 1 74 74 PRO HG2 H 1 1.94 0.04 . 1 . . . . . . . . 4463 1 632 . 1 1 74 74 PRO HG3 H 1 1.94 0.04 . 1 . . . . . . . . 4463 1 633 . 1 1 75 75 GLU N N 15 118.12 0.5 . 1 . . . . . . . . 4463 1 634 . 1 1 75 75 GLU CA C 13 60.34 0.2 . 1 . . . . . . . . 4463 1 635 . 1 1 75 75 GLU CB C 13 28.36 0.2 . 1 . . . . . . . . 4463 1 636 . 1 1 75 75 GLU H H 1 9.34 0.05 . 1 . . . . . . . . 4463 1 637 . 1 1 76 76 ARG N N 15 112.51 0.5 . 1 . . . . . . . . 4463 1 638 . 1 1 76 76 ARG HA H 1 3.54 0.04 . 1 . . . . . . . . 4463 1 639 . 1 1 76 76 ARG CA C 13 58.73 0.2 . 1 . . . . . . . . 4463 1 640 . 1 1 76 76 ARG CB C 13 32.34 0.2 . 1 . . . . . . . . 4463 1 641 . 1 1 76 76 ARG H H 1 6.9 0.05 . 1 . . . . . . . . 4463 1 642 . 1 1 77 77 ASP N N 15 112.1 0.5 . 1 . . . . . . . . 4463 1 643 . 1 1 77 77 ASP HA H 1 4.83 0.04 . 1 . . . . . . . . 4463 1 644 . 1 1 77 77 ASP HB2 H 1 2.81 0.04 . 2 . . . . . . . . 4463 1 645 . 1 1 77 77 ASP HB3 H 1 2.34 0.04 . 2 . . . . . . . . 4463 1 646 . 1 1 77 77 ASP CA C 13 54.09 0.2 . 1 . . . . . . . . 4463 1 647 . 1 1 77 77 ASP CB C 13 42.59 0.2 . 1 . . . . . . . . 4463 1 648 . 1 1 77 77 ASP H H 1 6.8 0.05 . 1 . . . . . . . . 4463 1 649 . 1 1 78 78 ARG N N 15 114.84 0.5 . 1 . . . . . . . . 4463 1 650 . 1 1 78 78 ARG HA H 1 4.46 0.04 . 1 . . . . . . . . 4463 1 651 . 1 1 78 78 ARG CA C 13 54.2 0.2 . 1 . . . . . . . . 4463 1 652 . 1 1 78 78 ARG CB C 13 26.98 0.2 . 1 . . . . . . . . 4463 1 653 . 1 1 78 78 ARG H H 1 7.71 0.05 . 1 . . . . . . . . 4463 1 654 . 1 1 79 79 LEU N N 15 123.11 0.5 . 1 . . . . . . . . 4463 1 655 . 1 1 79 79 LEU HA H 1 4.38 0.04 . 1 . . . . . . . . 4463 1 656 . 1 1 79 79 LEU HB2 H 1 1.21 0.04 . 2 . . . . . . . . 4463 1 657 . 1 1 79 79 LEU HB3 H 1 0.85 0.04 . 2 . . . . . . . . 4463 1 658 . 1 1 79 79 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4463 1 659 . 1 1 79 79 LEU CB C 13 42.38 0.2 . 1 . . . . . . . . 4463 1 660 . 1 1 79 79 LEU H H 1 7.91 0.05 . 1 . . . . . . . . 4463 1 661 . 1 1 80 80 ILE N N 15 123.18 0.5 . 1 . . . . . . . . 4463 1 662 . 1 1 80 80 ILE HA H 1 5.07 0.04 . 1 . . . . . . . . 4463 1 663 . 1 1 80 80 ILE HB H 1 2.02 0.04 . 1 . . . . . . . . 4463 1 664 . 1 1 80 80 ILE CA C 13 60.66 0.2 . 1 . . . . . . . . 4463 1 665 . 1 1 80 80 ILE CB C 13 39.09 0.2 . 1 . . . . . . . . 4463 1 666 . 1 1 80 80 ILE HG21 H 1 0.71 0.04 . 1 . . . . . . . . 4463 1 667 . 1 1 80 80 ILE HG22 H 1 0.71 0.04 . 1 . . . . . . . . 4463 1 668 . 1 1 80 80 ILE HG23 H 1 0.71 0.04 . 1 . . . . . . . . 4463 1 669 . 1 1 80 80 ILE H H 1 9.19 0.05 . 1 . . . . . . . . 4463 1 670 . 1 1 81 81 ILE N N 15 127.55 0.5 . 1 . . . . . . . . 4463 1 671 . 1 1 81 81 ILE HA H 1 4.76 0.04 . 1 . . . . . . . . 4463 1 672 . 1 1 81 81 ILE HB H 1 1.51 0.04 . 1 . . . . . . . . 4463 1 673 . 1 1 81 81 ILE CA C 13 61.43 0.2 . 1 . . . . . . . . 4463 1 674 . 1 1 81 81 ILE CB C 13 38.65 0.2 . 1 . . . . . . . . 4463 1 675 . 1 1 81 81 ILE HD11 H 1 0.35 0.04 . 1 . . . . . . . . 4463 1 676 . 1 1 81 81 ILE HD12 H 1 0.35 0.04 . 1 . . . . . . . . 4463 1 677 . 1 1 81 81 ILE HD13 H 1 0.35 0.04 . 1 . . . . . . . . 4463 1 678 . 1 1 81 81 ILE HG21 H 1 0.57 0.04 . 1 . . . . . . . . 4463 1 679 . 1 1 81 81 ILE HG22 H 1 0.57 0.04 . 1 . . . . . . . . 4463 1 680 . 1 1 81 81 ILE HG23 H 1 0.57 0.04 . 1 . . . . . . . . 4463 1 681 . 1 1 81 81 ILE H H 1 8.76 0.05 . 1 . . . . . . . . 4463 1 682 . 1 1 82 82 VAL N N 15 120.3 0.5 . 1 . . . . . . . . 4463 1 683 . 1 1 82 82 VAL HA H 1 5.04 0.04 . 1 . . . . . . . . 4463 1 684 . 1 1 82 82 VAL HB H 1 2.07 0.04 . 1 . . . . . . . . 4463 1 685 . 1 1 82 82 VAL CA C 13 57.16 0.2 . 1 . . . . . . . . 4463 1 686 . 1 1 82 82 VAL CB C 13 34.27 0.2 . 1 . . . . . . . . 4463 1 687 . 1 1 82 82 VAL HG11 H 1 0.77 0.04 . 2 . . . . . . . . 4463 1 688 . 1 1 82 82 VAL HG12 H 1 0.77 0.04 . 2 . . . . . . . . 4463 1 689 . 1 1 82 82 VAL HG13 H 1 0.77 0.04 . 2 . . . . . . . . 4463 1 690 . 1 1 82 82 VAL HG21 H 1 0.65 0.04 . 2 . . . . . . . . 4463 1 691 . 1 1 82 82 VAL HG22 H 1 0.65 0.04 . 2 . . . . . . . . 4463 1 692 . 1 1 82 82 VAL HG23 H 1 0.65 0.04 . 2 . . . . . . . . 4463 1 693 . 1 1 82 82 VAL H H 1 8.91 0.05 . 1 . . . . . . . . 4463 1 694 . 1 1 83 83 PRO HA H 1 4.38 0.04 . 1 . . . . . . . . 4463 1 695 . 1 1 83 83 PRO HB2 H 1 2.3 0.04 . 2 . . . . . . . . 4463 1 696 . 1 1 83 83 PRO HB3 H 1 1.91 0.04 . 2 . . . . . . . . 4463 1 697 . 1 1 83 83 PRO CA C 13 62.09 0.2 . 1 . . . . . . . . 4463 1 698 . 1 1 83 83 PRO CB C 13 29.17 0.2 . 1 . . . . . . . . 4463 1 699 . 1 1 84 84 LYS N N 15 123.93 0.5 . 1 . . . . . . . . 4463 1 700 . 1 1 84 84 LYS HA H 1 3.64 0.04 . 1 . . . . . . . . 4463 1 701 . 1 1 84 84 LYS HB2 H 1 1.61 0.04 . 2 . . . . . . . . 4463 1 702 . 1 1 84 84 LYS HB3 H 1 1.39 0.04 . 2 . . . . . . . . 4463 1 703 . 1 1 84 84 LYS CA C 13 59.57 0.2 . 1 . . . . . . . . 4463 1 704 . 1 1 84 84 LYS CB C 13 33.07 0.2 . 1 . . . . . . . . 4463 1 705 . 1 1 84 84 LYS HG2 H 1 1.14 0.04 . 1 . . . . . . . . 4463 1 706 . 1 1 84 84 LYS HG3 H 1 1.14 0.04 . 1 . . . . . . . . 4463 1 707 . 1 1 84 84 LYS H H 1 8.45 0.05 . 1 . . . . . . . . 4463 1 708 . 1 1 85 85 GLU N N 15 113.47 0.5 . 1 . . . . . . . . 4463 1 709 . 1 1 85 85 GLU HA H 1 4.09 0.04 . 1 . . . . . . . . 4463 1 710 . 1 1 85 85 GLU HB2 H 1 2.23 0.04 . 2 . . . . . . . . 4463 1 711 . 1 1 85 85 GLU HB3 H 1 1.97 0.04 . 2 . . . . . . . . 4463 1 712 . 1 1 85 85 GLU CA C 13 57.48 0.2 . 1 . . . . . . . . 4463 1 713 . 1 1 85 85 GLU CB C 13 29.67 0.2 . 1 . . . . . . . . 4463 1 714 . 1 1 85 85 GLU HG2 H 1 2.36 0.04 . 2 . . . . . . . . 4463 1 715 . 1 1 85 85 GLU HG3 H 1 2.31 0.04 . 2 . . . . . . . . 4463 1 716 . 1 1 85 85 GLU H H 1 8.43 0.05 . 1 . . . . . . . . 4463 1 717 . 1 1 86 86 LYS N N 15 117.64 0.5 . 1 . . . . . . . . 4463 1 718 . 1 1 86 86 LYS HA H 1 4.62 0.04 . 1 . . . . . . . . 4463 1 719 . 1 1 86 86 LYS HB2 H 1 1.9 0.04 . 2 . . . . . . . . 4463 1 720 . 1 1 86 86 LYS HB3 H 1 1.75 0.04 . 2 . . . . . . . . 4463 1 721 . 1 1 86 86 LYS CA C 13 54.2 0.2 . 1 . . . . . . . . 4463 1 722 . 1 1 86 86 LYS CB C 13 33.07 0.2 . 1 . . . . . . . . 4463 1 723 . 1 1 86 86 LYS H H 1 6.94 0.05 . 1 . . . . . . . . 4463 1 724 . 1 1 87 87 PRO HA H 1 4.64 0.04 . 1 . . . . . . . . 4463 1 725 . 1 1 87 87 PRO HB2 H 1 1.87 0.04 . 2 . . . . . . . . 4463 1 726 . 1 1 87 87 PRO HB3 H 1 1.82 0.04 . 2 . . . . . . . . 4463 1 727 . 1 1 87 87 PRO CA C 13 62.42 0.2 . 1 . . . . . . . . 4463 1 728 . 1 1 87 87 PRO CB C 13 34.05 0.2 . 1 . . . . . . . . 4463 1 729 . 1 1 87 87 PRO HG2 H 1 2.17 0.04 . 2 . . . . . . . . 4463 1 730 . 1 1 87 87 PRO HG3 H 1 2.09 0.04 . 2 . . . . . . . . 4463 1 731 . 1 1 88 88 CYS N N 15 122.49 0.5 . 1 . . . . . . . . 4463 1 732 . 1 1 88 88 CYS HA H 1 5 0.04 . 1 . . . . . . . . 4463 1 733 . 1 1 88 88 CYS HB2 H 1 2.95 0.04 . 2 . . . . . . . . 4463 1 734 . 1 1 88 88 CYS HB3 H 1 2.67 0.04 . 2 . . . . . . . . 4463 1 735 . 1 1 88 88 CYS CA C 13 54.32 0.2 . 1 . . . . . . . . 4463 1 736 . 1 1 88 88 CYS H H 1 8.6 0.05 . 1 . . . . . . . . 4463 1 737 . 1 1 91 91 PHE N N 15 117.09 0.5 . 1 . . . . . . . . 4463 1 738 . 1 1 91 91 PHE HA H 1 4.15 0.04 . 1 . . . . . . . . 4463 1 739 . 1 1 91 91 PHE HB2 H 1 3 0.04 . 1 . . . . . . . . 4463 1 740 . 1 1 91 91 PHE HB3 H 1 3 0.04 . 1 . . . . . . . . 4463 1 741 . 1 1 91 91 PHE HD1 H 1 7.2 0.04 . 1 . . . . . . . . 4463 1 742 . 1 1 91 91 PHE HD2 H 1 7.2 0.04 . 1 . . . . . . . . 4463 1 743 . 1 1 91 91 PHE CA C 13 61.97 0.2 . 1 . . . . . . . . 4463 1 744 . 1 1 91 91 PHE CB C 13 38.56 0.2 . 1 . . . . . . . . 4463 1 745 . 1 1 91 91 PHE H H 1 9.03 0.05 . 1 . . . . . . . . 4463 1 746 . 1 1 92 92 GLU N N 15 117.12 0.5 . 1 . . . . . . . . 4463 1 747 . 1 1 92 92 GLU HA H 1 3.83 0.04 . 1 . . . . . . . . 4463 1 748 . 1 1 92 92 GLU CA C 13 59.9 0.2 . 1 . . . . . . . . 4463 1 749 . 1 1 92 92 GLU CB C 13 29.24 0.2 . 1 . . . . . . . . 4463 1 750 . 1 1 92 92 GLU H H 1 9.01 0.05 . 1 . . . . . . . . 4463 1 751 . 1 1 93 93 ASP N N 15 121.61 0.5 . 1 . . . . . . . . 4463 1 752 . 1 1 93 93 ASP CA C 13 58.26 0.2 . 1 . . . . . . . . 4463 1 753 . 1 1 93 93 ASP CB C 13 41.17 0.2 . 1 . . . . . . . . 4463 1 754 . 1 1 93 93 ASP H H 1 7.68 0.05 . 1 . . . . . . . . 4463 1 755 . 1 1 94 94 LEU N N 15 118.22 0.5 . 1 . . . . . . . . 4463 1 756 . 1 1 94 94 LEU HA H 1 4.19 0.04 . 1 . . . . . . . . 4463 1 757 . 1 1 94 94 LEU CA C 13 57.16 0.2 . 1 . . . . . . . . 4463 1 758 . 1 1 94 94 LEU H H 1 7.97 0.05 . 1 . . . . . . . . 4463 1 759 . 1 1 95 95 ARG N N 15 111.15 0.5 . 1 . . . . . . . . 4463 1 760 . 1 1 95 95 ARG CA C 13 61.98 0.2 . 1 . . . . . . . . 4463 1 761 . 1 1 95 95 ARG H H 1 7.81 0.05 . 1 . . . . . . . . 4463 1 762 . 1 1 97 97 SER HA H 1 3.85 0.04 . 1 . . . . . . . . 4463 1 763 . 1 1 97 97 SER CA C 13 55.34 0.2 . 1 . . . . . . . . 4463 1 764 . 1 1 97 97 SER CB C 13 63.77 0.2 . 1 . . . . . . . . 4463 1 765 . 1 1 98 98 TRP N N 15 120.17 0.5 . 1 . . . . . . . . 4463 1 766 . 1 1 98 98 TRP CA C 13 59.35 0.2 . 1 . . . . . . . . 4463 1 767 . 1 1 98 98 TRP CB C 13 28.8 0.2 . 1 . . . . . . . . 4463 1 768 . 1 1 98 98 TRP HD1 H 1 7.19 0.04 . 1 . . . . . . . . 4463 1 769 . 1 1 98 98 TRP HE1 H 1 10.03 0.04 . 1 . . . . . . . . 4463 1 770 . 1 1 98 98 TRP NE1 N 15 128.31 0.5 . 1 . . . . . . . . 4463 1 771 . 1 1 98 98 TRP H H 1 8.74 0.05 . 1 . . . . . . . . 4463 1 772 . 1 1 98 98 TRP HZ2 H 1 7.32 0.04 . 1 . . . . . . . . 4463 1 773 . 1 1 99 99 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 4463 1 774 . 1 1 99 99 GLU CB C 13 32.75 0.2 . 1 . . . . . . . . 4463 1 775 . 1 1 100 100 ILE N N 15 120.38 0.5 . 1 . . . . . . . . 4463 1 776 . 1 1 100 100 ILE HA H 1 3.7 0.04 . 1 . . . . . . . . 4463 1 777 . 1 1 100 100 ILE HB H 1 1.98 0.04 . 1 . . . . . . . . 4463 1 778 . 1 1 100 100 ILE CA C 13 64.64 0.2 . 1 . . . . . . . . 4463 1 779 . 1 1 100 100 ILE CB C 13 38.36 0.2 . 1 . . . . . . . . 4463 1 780 . 1 1 100 100 ILE HD11 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 781 . 1 1 100 100 ILE HD12 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 782 . 1 1 100 100 ILE HD13 H 1 0.92 0.04 . 1 . . . . . . . . 4463 1 783 . 1 1 100 100 ILE HG21 H 1 0.99 0.04 . 1 . . . . . . . . 4463 1 784 . 1 1 100 100 ILE HG22 H 1 0.99 0.04 . 1 . . . . . . . . 4463 1 785 . 1 1 100 100 ILE HG23 H 1 0.99 0.04 . 1 . . . . . . . . 4463 1 786 . 1 1 100 100 ILE H H 1 7.78 0.05 . 1 . . . . . . . . 4463 1 787 . 1 1 101 101 GLU N N 15 122.56 0.5 . 1 . . . . . . . . 4463 1 788 . 1 1 101 101 GLU HA H 1 4.38 0.04 . 1 . . . . . . . . 4463 1 789 . 1 1 101 101 GLU HB2 H 1 1.66 0.04 . 2 . . . . . . . . 4463 1 790 . 1 1 101 101 GLU HB3 H 1 1.61 0.04 . 2 . . . . . . . . 4463 1 791 . 1 1 101 101 GLU CA C 13 59.13 0.2 . 1 . . . . . . . . 4463 1 792 . 1 1 101 101 GLU CB C 13 30 0.2 . 1 . . . . . . . . 4463 1 793 . 1 1 101 101 GLU HG2 H 1 2.06 0.04 . 1 . . . . . . . . 4463 1 794 . 1 1 101 101 GLU HG3 H 1 2.06 0.04 . 1 . . . . . . . . 4463 1 795 . 1 1 101 101 GLU H H 1 8.93 0.05 . 1 . . . . . . . . 4463 1 796 . 1 1 102 102 LEU N N 15 118.39 0.5 . 1 . . . . . . . . 4463 1 797 . 1 1 102 102 LEU HA H 1 3.95 0.04 . 1 . . . . . . . . 4463 1 798 . 1 1 102 102 LEU HB2 H 1 1.42 0.04 . 2 . . . . . . . . 4463 1 799 . 1 1 102 102 LEU HB3 H 1 1.34 0.04 . 2 . . . . . . . . 4463 1 800 . 1 1 102 102 LEU CA C 13 56.6 0.2 . 1 . . . . . . . . 4463 1 801 . 1 1 102 102 LEU CB C 13 42.05 0.2 . 1 . . . . . . . . 4463 1 802 . 1 1 102 102 LEU HD11 H 1 0.65 0.04 . 2 . . . . . . . . 4463 1 803 . 1 1 102 102 LEU HD12 H 1 0.65 0.04 . 2 . . . . . . . . 4463 1 804 . 1 1 102 102 LEU HD13 H 1 0.65 0.04 . 2 . . . . . . . . 4463 1 805 . 1 1 102 102 LEU HD21 H 1 0.59 0.04 . 2 . . . . . . . . 4463 1 806 . 1 1 102 102 LEU HD22 H 1 0.59 0.04 . 2 . . . . . . . . 4463 1 807 . 1 1 102 102 LEU HD23 H 1 0.59 0.04 . 2 . . . . . . . . 4463 1 808 . 1 1 102 102 LEU H H 1 8.24 0.05 . 1 . . . . . . . . 4463 1 809 . 1 1 103 103 ALA N N 15 119.97 0.5 . 1 . . . . . . . . 4463 1 810 . 1 1 103 103 ALA HA H 1 4.36 0.04 . 1 . . . . . . . . 4463 1 811 . 1 1 103 103 ALA HB1 H 1 1.46 0.04 . 1 . . . . . . . . 4463 1 812 . 1 1 103 103 ALA HB2 H 1 1.46 0.04 . 1 . . . . . . . . 4463 1 813 . 1 1 103 103 ALA HB3 H 1 1.46 0.04 . 1 . . . . . . . . 4463 1 814 . 1 1 103 103 ALA CA C 13 52.01 0.2 . 1 . . . . . . . . 4463 1 815 . 1 1 103 103 ALA CB C 13 19.16 0.2 . 1 . . . . . . . . 4463 1 816 . 1 1 103 103 ALA H H 1 7.34 0.05 . 1 . . . . . . . . 4463 1 817 . 1 1 104 104 GLN N N 15 120.38 0.5 . 1 . . . . . . . . 4463 1 818 . 1 1 104 104 GLN HA H 1 4.36 0.04 . 1 . . . . . . . . 4463 1 819 . 1 1 104 104 GLN HB2 H 1 2.19 0.04 . 2 . . . . . . . . 4463 1 820 . 1 1 104 104 GLN HB3 H 1 2.01 0.04 . 2 . . . . . . . . 4463 1 821 . 1 1 104 104 GLN CA C 13 54.64 0.2 . 1 . . . . . . . . 4463 1 822 . 1 1 104 104 GLN CB C 13 28.36 0.2 . 1 . . . . . . . . 4463 1 823 . 1 1 104 104 GLN HG2 H 1 2.37 0.04 . 1 . . . . . . . . 4463 1 824 . 1 1 104 104 GLN HG3 H 1 2.37 0.04 . 1 . . . . . . . . 4463 1 825 . 1 1 104 104 GLN H H 1 7.74 0.05 . 1 . . . . . . . . 4463 1 826 . 1 1 105 105 PRO CA C 13 63.66 0.2 . 1 . . . . . . . . 4463 1 827 . 1 1 105 105 PRO CB C 13 32.01 0.2 . 1 . . . . . . . . 4463 1 828 . 1 1 106 106 ALA N N 15 124.27 0.5 . 1 . . . . . . . . 4463 1 829 . 1 1 106 106 ALA HA H 1 4.27 0.04 . 1 . . . . . . . . 4463 1 830 . 1 1 106 106 ALA HB1 H 1 1.4 0.04 . 1 . . . . . . . . 4463 1 831 . 1 1 106 106 ALA HB2 H 1 1.4 0.04 . 1 . . . . . . . . 4463 1 832 . 1 1 106 106 ALA HB3 H 1 1.4 0.04 . 1 . . . . . . . . 4463 1 833 . 1 1 106 106 ALA CA C 13 52.82 0.2 . 1 . . . . . . . . 4463 1 834 . 1 1 106 106 ALA CB C 13 18.98 0.2 . 1 . . . . . . . . 4463 1 835 . 1 1 106 106 ALA H H 1 8.46 0.05 . 1 . . . . . . . . 4463 1 836 . 1 1 107 107 ALA N N 15 122.84 0.5 . 1 . . . . . . . . 4463 1 837 . 1 1 107 107 ALA HA H 1 4.26 0.04 . 1 . . . . . . . . 4463 1 838 . 1 1 107 107 ALA HB1 H 1 1.42 0.04 . 1 . . . . . . . . 4463 1 839 . 1 1 107 107 ALA HB2 H 1 1.42 0.04 . 1 . . . . . . . . 4463 1 840 . 1 1 107 107 ALA HB3 H 1 1.42 0.04 . 1 . . . . . . . . 4463 1 841 . 1 1 107 107 ALA CA C 13 52.78 0.2 . 1 . . . . . . . . 4463 1 842 . 1 1 107 107 ALA CB C 13 19.16 0.2 . 1 . . . . . . . . 4463 1 843 . 1 1 107 107 ALA H H 1 8.3 0.05 . 1 . . . . . . . . 4463 1 844 . 1 1 108 108 LEU N N 15 120.72 0.5 . 1 . . . . . . . . 4463 1 845 . 1 1 108 108 LEU HA H 1 4.36 0.04 . 1 . . . . . . . . 4463 1 846 . 1 1 108 108 LEU HB2 H 1 1.64 0.04 . 1 . . . . . . . . 4463 1 847 . 1 1 108 108 LEU HB3 H 1 1.64 0.04 . 1 . . . . . . . . 4463 1 848 . 1 1 108 108 LEU CA C 13 55.41 0.2 . 1 . . . . . . . . 4463 1 849 . 1 1 108 108 LEU CB C 13 42.27 0.2 . 1 . . . . . . . . 4463 1 850 . 1 1 108 108 LEU HD11 H 1 0.93 0.04 . 2 . . . . . . . . 4463 1 851 . 1 1 108 108 LEU HD12 H 1 0.93 0.04 . 2 . . . . . . . . 4463 1 852 . 1 1 108 108 LEU HD13 H 1 0.93 0.04 . 2 . . . . . . . . 4463 1 853 . 1 1 108 108 LEU HD21 H 1 0.89 0.04 . 2 . . . . . . . . 4463 1 854 . 1 1 108 108 LEU HD22 H 1 0.89 0.04 . 2 . . . . . . . . 4463 1 855 . 1 1 108 108 LEU HD23 H 1 0.89 0.04 . 2 . . . . . . . . 4463 1 856 . 1 1 108 108 LEU H H 1 8.18 0.05 . 1 . . . . . . . . 4463 1 857 . 1 1 109 109 SER N N 15 115.93 0.5 . 1 . . . . . . . . 4463 1 858 . 1 1 109 109 SER HA H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 859 . 1 1 109 109 SER HB2 H 1 3.89 0.04 . 1 . . . . . . . . 4463 1 860 . 1 1 109 109 SER HB3 H 1 3.89 0.04 . 1 . . . . . . . . 4463 1 861 . 1 1 109 109 SER CA C 13 58.47 0.2 . 1 . . . . . . . . 4463 1 862 . 1 1 109 109 SER CB C 13 63.73 0.2 . 1 . . . . . . . . 4463 1 863 . 1 1 109 109 SER H H 1 8.28 0.05 . 1 . . . . . . . . 4463 1 864 . 1 1 110 110 SER N N 15 117.56 0.5 . 1 . . . . . . . . 4463 1 865 . 1 1 110 110 SER HA H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 866 . 1 1 110 110 SER CA C 13 58.36 0.2 . 1 . . . . . . . . 4463 1 867 . 1 1 110 110 SER CB C 13 63.83 0.2 . 1 . . . . . . . . 4463 1 868 . 1 1 110 110 SER H H 1 8.39 0.05 . 1 . . . . . . . . 4463 1 869 . 1 1 111 111 GLN N N 15 121.61 0.5 . 1 . . . . . . . . 4463 1 870 . 1 1 111 111 GLN HA H 1 4.4 0.04 . 1 . . . . . . . . 4463 1 871 . 1 1 111 111 GLN HB2 H 1 2.2 0.04 . 2 . . . . . . . . 4463 1 872 . 1 1 111 111 GLN HB3 H 1 2.04 0.04 . 2 . . . . . . . . 4463 1 873 . 1 1 111 111 GLN CA C 13 56.1 0.2 . 1 . . . . . . . . 4463 1 874 . 1 1 111 111 GLN CB C 13 29.35 0.2 . 1 . . . . . . . . 4463 1 875 . 1 1 111 111 GLN HG2 H 1 2.39 0.04 . 1 . . . . . . . . 4463 1 876 . 1 1 111 111 GLN HG3 H 1 2.39 0.04 . 1 . . . . . . . . 4463 1 877 . 1 1 111 111 GLN H H 1 8.35 0.05 . 1 . . . . . . . . 4463 1 878 . 1 1 112 112 SER N N 15 116.37 0.5 . 1 . . . . . . . . 4463 1 879 . 1 1 112 112 SER HA H 1 4.46 0.04 . 1 . . . . . . . . 4463 1 880 . 1 1 112 112 SER HB2 H 1 3.91 0.04 . 1 . . . . . . . . 4463 1 881 . 1 1 112 112 SER HB3 H 1 3.91 0.04 . 1 . . . . . . . . 4463 1 882 . 1 1 112 112 SER CA C 13 58.58 0.2 . 1 . . . . . . . . 4463 1 883 . 1 1 112 112 SER CB C 13 63.73 0.2 . 1 . . . . . . . . 4463 1 884 . 1 1 112 112 SER H H 1 8.31 0.05 . 1 . . . . . . . . 4463 1 885 . 1 1 113 113 SER N N 15 117.6 0.5 . 1 . . . . . . . . 4463 1 886 . 1 1 113 113 SER HA H 1 4.48 0.04 . 1 . . . . . . . . 4463 1 887 . 1 1 113 113 SER HB2 H 1 3.87 0.04 . 1 . . . . . . . . 4463 1 888 . 1 1 113 113 SER HB3 H 1 3.87 0.04 . 1 . . . . . . . . 4463 1 889 . 1 1 113 113 SER CA C 13 58.69 0.2 . 1 . . . . . . . . 4463 1 890 . 1 1 113 113 SER CB C 13 63.62 0.2 . 1 . . . . . . . . 4463 1 891 . 1 1 113 113 SER H H 1 8.36 0.05 . 1 . . . . . . . . 4463 1 892 . 1 1 114 114 LEU N N 15 123.52 0.5 . 1 . . . . . . . . 4463 1 893 . 1 1 114 114 LEU HA H 1 4.4 0.04 . 1 . . . . . . . . 4463 1 894 . 1 1 114 114 LEU HB2 H 1 1.65 0.04 . 1 . . . . . . . . 4463 1 895 . 1 1 114 114 LEU HB3 H 1 1.65 0.04 . 1 . . . . . . . . 4463 1 896 . 1 1 114 114 LEU CA C 13 55.08 0.2 . 1 . . . . . . . . 4463 1 897 . 1 1 114 114 LEU CB C 13 42.49 0.2 . 1 . . . . . . . . 4463 1 898 . 1 1 114 114 LEU HD11 H 1 0.91 0.04 . 2 . . . . . . . . 4463 1 899 . 1 1 114 114 LEU HD12 H 1 0.91 0.04 . 2 . . . . . . . . 4463 1 900 . 1 1 114 114 LEU HD13 H 1 0.91 0.04 . 2 . . . . . . . . 4463 1 901 . 1 1 114 114 LEU HD21 H 1 0.86 0.04 . 2 . . . . . . . . 4463 1 902 . 1 1 114 114 LEU HD22 H 1 0.86 0.04 . 2 . . . . . . . . 4463 1 903 . 1 1 114 114 LEU HD23 H 1 0.86 0.04 . 2 . . . . . . . . 4463 1 904 . 1 1 114 114 LEU H H 1 8.24 0.05 . 1 . . . . . . . . 4463 1 905 . 1 1 115 115 SER N N 15 118.32 0.5 . 1 . . . . . . . . 4463 1 906 . 1 1 115 115 SER HA H 1 4.75 0.04 . 1 . . . . . . . . 4463 1 907 . 1 1 115 115 SER HB2 H 1 3.92 0.04 . 2 . . . . . . . . 4463 1 908 . 1 1 115 115 SER HB3 H 1 3.8 0.04 . 2 . . . . . . . . 4463 1 909 . 1 1 115 115 SER CA C 13 55.62 0.2 . 1 . . . . . . . . 4463 1 910 . 1 1 115 115 SER CB C 13 64.38 0.2 . 1 . . . . . . . . 4463 1 911 . 1 1 115 115 SER H H 1 8.29 0.05 . 1 . . . . . . . . 4463 1 stop_ save_