data_16779 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16779 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for LMO2(LIM2)-Ldb1(LID) ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2010-03-18 _Entry.Accession_date 2010-03-18 _Entry.Last_release_date 2010-10-06 _Entry.Original_release_date 2010-10-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lorna Wilkinson-White . . . 16779 2 Siavoush Dastmalchi . . . 16779 3 Ann Kwan . . . 16779 4 Daniel Ryan . . . 16779 5 Joel Mackay . P. . 16779 6 Jacqui Matthews . . . 16779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 16779 '15N chemical shifts' 119 16779 '1H chemical shifts' 700 16779 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 . . 2010-10-06 2010-03-18 original author . 16779 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LXD 'BMRB Entry Tracking System' 16779 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 16779 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 15N and 13C assignments of an intramolecular Lmo2-LIM2/Ldb1-LID complex' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lorna Wilkinson-White . E. . 16779 1 2 Siavoush Dastmalchi . . . 16779 1 3 Ann Kwan . H. . 16779 1 4 Daniel Ryan . P. . 16779 1 5 Joel Mackay . P. . 16779 1 6 Jacqui Matthews . M. . 16779 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16779 _Assembly.ID 1 _Assembly.Name Lmo2-LIM2/Ldb1-LID _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Lmo2-LIM2/Ldb1-LID 1 $Flic A . yes native no no . . . 16779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Flic _Entity.Sf_category entity _Entity.Sf_framecode Flic _Entity.Entry_ID 16779 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Flic _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 ; YLRLFGQDGLCASCDKRIRA YEMTMRVKDKVYHLECFKCA ACQKHFSVGDRYLLINSDIV CEQDIYEWTKINGGSGGSGG SGGDVMVVGEPTLMGGEFGD EDERLITRLENTQFDAANGI DDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L6Y . "Haddock Model Of Gata1nf:lmo2lim2-Ldb1lid" . . . . . 78.05 96 100.00 100.00 3.36e-63 . . . . 16779 1 2 no PDB 2L6Z . "Haddock Model Of Gata1nf:lmo2lim2-Ldb1lid With Fog" . . . . . 78.05 96 100.00 100.00 3.36e-63 . . . . 16779 1 3 no PDB 2LXD . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Lmo2(Lim2)- Ldb1(Lid)" . . . . . 100.00 125 100.00 100.00 5.65e-84 . . . . 16779 1 4 no PDB 2XJY . "Crystal Structure Of The Lmo2:ldb1-Lid Complex, P21 Crystal Form" . . . . . 59.35 131 98.63 98.63 4.97e-44 . . . . 16779 1 5 no PDB 2XJZ . "Crystal Structure Of The Lmo2:ldb1-Lid Complex, C2 Crystal Form" . . . . . 59.35 131 98.63 98.63 4.97e-44 . . . . 16779 1 6 no PDB 2YPA . "Structure Of The Scl:e47:lmo2:ldb1 Complex Bound To Dna" . . . . . 59.35 145 98.63 98.63 5.41e-44 . . . . 16779 1 7 no PDB 4KFZ . "Crystal Structure Of Lmo2 And Anti-lmo2 Vh Complex" . . . . . 59.35 150 98.63 98.63 4.73e-44 . . . . 16779 1 8 no DBJ BAB28844 . "unnamed protein product [Mus musculus]" . . . . . 59.35 158 98.63 98.63 3.87e-44 . . . . 16779 1 9 no DBJ BAE91465 . "unnamed protein product [Macaca fascicularis]" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 10 no DBJ BAG73348 . "LIM domain only 2 [synthetic construct]" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 11 no EMBL CAA43430 . "TTG-2a/RBTN-2a [Homo sapiens]" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 12 no GB AAA40054 . "rhom-2 [Mus musculus domesticus]" . . . . . 59.35 158 98.63 98.63 3.87e-44 . . . . 16779 1 13 no GB AAF98804 . "LMO2b splice variant [Homo sapiens]" . . . . . 59.35 151 98.63 98.63 4.97e-44 . . . . 16779 1 14 no GB AAH34041 . "LMO2 protein [Homo sapiens]" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 15 no GB AAH35607 . "LMO2 protein [Homo sapiens]" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 16 no GB AAH42426 . "LMO2 protein [Homo sapiens]" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 17 no REF NP_001032435 . "rhombotin-2 isoform 1 [Rattus norvegicus]" . . . . . 59.35 220 98.63 98.63 5.67e-45 . . . . 16779 1 18 no REF NP_001069820 . "rhombotin-2 [Bos taurus]" . . . . . 59.35 158 98.63 98.63 3.71e-44 . . . . 16779 1 19 no REF NP_001135787 . "rhombotin-2 isoform 2 [Homo sapiens]" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 20 no REF NP_001135788 . "rhombotin-2 isoform 2 [Homo sapiens]" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 21 no REF NP_001135807 . "rhombotin-2 isoform 2 [Mus musculus]" . . . . . 59.35 220 98.63 98.63 5.67e-45 . . . . 16779 1 22 no SP P25791 . "RecName: Full=Rhombotin-2; AltName: Full=Cysteine-rich protein TTG-2; AltName: Full=LIM domain only protein 2; Short=LMO-2; Alt" . . . . . 59.35 158 98.63 98.63 3.51e-44 . . . . 16779 1 23 no SP P25801 . "RecName: Full=Rhombotin-2; AltName: Full=Cysteine-rich protein TTG-2; AltName: Full=LIM domain only protein 2; Short=LMO-2; Alt" . . . . . 59.35 158 98.63 98.63 3.87e-44 . . . . 16779 1 24 no SP Q1LZ94 . "RecName: Full=Rhombotin-2; AltName: Full=LIM domain only protein 2; Short=LMO-2" . . . . . 59.35 158 98.63 98.63 3.71e-44 . . . . 16779 1 25 no TPG DAA21843 . "TPA: rhombotin-2 [Bos taurus]" . . . . . 59.35 158 98.63 98.63 3.71e-44 . . . . 16779 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Lmo2 is a member of the LIM-only protein family, the sequences of which consist of little more than two tandemly arrayed LIM domains. LIM domains are a class of zinc finger that ligate two zinc ions and which bind proteins rather than DNA (Bach 2000). Lmo2 plays a critical role in blood cell development (hematopoiesis). ; 16779 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 . TYR . 16779 1 2 . LEU . 16779 1 3 . ARG . 16779 1 4 . LEU . 16779 1 5 . PHE . 16779 1 6 . GLY . 16779 1 7 . GLN . 16779 1 8 . ASP . 16779 1 9 . GLY . 16779 1 10 . LEU . 16779 1 11 . CYS . 16779 1 12 . ALA . 16779 1 13 . SER . 16779 1 14 . CYS . 16779 1 15 . ASP . 16779 1 16 . LYS . 16779 1 17 . ARG . 16779 1 18 . ILE . 16779 1 19 . ARG . 16779 1 20 . ALA . 16779 1 21 . TYR . 16779 1 22 . GLU . 16779 1 23 . MET . 16779 1 24 . THR . 16779 1 25 . MET . 16779 1 26 . ARG . 16779 1 27 . VAL . 16779 1 28 . LYS . 16779 1 29 . ASP . 16779 1 30 . LYS . 16779 1 31 . VAL . 16779 1 32 . TYR . 16779 1 33 . HIS . 16779 1 34 . LEU . 16779 1 35 . GLU . 16779 1 36 . CYS . 16779 1 37 . PHE . 16779 1 38 . LYS . 16779 1 39 . CYS . 16779 1 40 . ALA . 16779 1 41 . ALA . 16779 1 42 . CYS . 16779 1 43 . GLN . 16779 1 44 . LYS . 16779 1 45 . HIS . 16779 1 46 . PHE . 16779 1 47 . SER . 16779 1 48 . VAL . 16779 1 49 . GLY . 16779 1 50 . ASP . 16779 1 51 . ARG . 16779 1 52 . TYR . 16779 1 53 . LEU . 16779 1 54 . LEU . 16779 1 55 . ILE . 16779 1 56 . ASN . 16779 1 57 . SER . 16779 1 58 . ASP . 16779 1 59 . ILE . 16779 1 60 . VAL . 16779 1 61 . CYS . 16779 1 62 . GLU . 16779 1 63 . GLN . 16779 1 64 . ASP . 16779 1 65 . ILE . 16779 1 66 . TYR . 16779 1 67 . GLU . 16779 1 68 . TRP . 16779 1 69 . THR . 16779 1 70 . LYS . 16779 1 71 . ILE . 16779 1 72 . ASN . 16779 1 73 . GLY . 16779 1 74 . GLY . 16779 1 75 . SER . 16779 1 76 . GLY . 16779 1 77 . GLY . 16779 1 78 . SER . 16779 1 79 . GLY . 16779 1 80 . GLY . 16779 1 81 . SER . 16779 1 82 . GLY . 16779 1 83 . GLY . 16779 1 84 . ASP . 16779 1 85 . VAL . 16779 1 86 . MET . 16779 1 87 . VAL . 16779 1 88 . VAL . 16779 1 89 . GLY . 16779 1 90 . GLU . 16779 1 91 . PRO . 16779 1 92 . THR . 16779 1 93 . LEU . 16779 1 94 . MET . 16779 1 95 . GLY . 16779 1 96 . GLY . 16779 1 97 . GLU . 16779 1 98 . PHE . 16779 1 99 . GLY . 16779 1 100 . ASP . 16779 1 101 . GLU . 16779 1 102 . ASP . 16779 1 103 . GLU . 16779 1 104 . ARG . 16779 1 105 . LEU . 16779 1 106 . ILE . 16779 1 107 . THR . 16779 1 108 . ARG . 16779 1 109 . LEU . 16779 1 110 . GLU . 16779 1 111 . ASN . 16779 1 112 . THR . 16779 1 113 . GLN . 16779 1 114 . PHE . 16779 1 115 . ASP . 16779 1 116 . ALA . 16779 1 117 . ALA . 16779 1 118 . ASN . 16779 1 119 . GLY . 16779 1 120 . ILE . 16779 1 121 . ASP . 16779 1 122 . ASP . 16779 1 123 . GLU . 16779 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 . TYR 1 1 16779 1 . LEU 2 2 16779 1 . ARG 3 3 16779 1 . LEU 4 4 16779 1 . PHE 5 5 16779 1 . GLY 6 6 16779 1 . GLN 7 7 16779 1 . ASP 8 8 16779 1 . GLY 9 9 16779 1 . LEU 10 10 16779 1 . CYS 11 11 16779 1 . ALA 12 12 16779 1 . SER 13 13 16779 1 . CYS 14 14 16779 1 . ASP 15 15 16779 1 . LYS 16 16 16779 1 . ARG 17 17 16779 1 . ILE 18 18 16779 1 . ARG 19 19 16779 1 . ALA 20 20 16779 1 . TYR 21 21 16779 1 . GLU 22 22 16779 1 . MET 23 23 16779 1 . THR 24 24 16779 1 . MET 25 25 16779 1 . ARG 26 26 16779 1 . VAL 27 27 16779 1 . LYS 28 28 16779 1 . ASP 29 29 16779 1 . LYS 30 30 16779 1 . VAL 31 31 16779 1 . TYR 32 32 16779 1 . HIS 33 33 16779 1 . LEU 34 34 16779 1 . GLU 35 35 16779 1 . CYS 36 36 16779 1 . PHE 37 37 16779 1 . LYS 38 38 16779 1 . CYS 39 39 16779 1 . ALA 40 40 16779 1 . ALA 41 41 16779 1 . CYS 42 42 16779 1 . GLN 43 43 16779 1 . LYS 44 44 16779 1 . HIS 45 45 16779 1 . PHE 46 46 16779 1 . SER 47 47 16779 1 . VAL 48 48 16779 1 . GLY 49 49 16779 1 . ASP 50 50 16779 1 . ARG 51 51 16779 1 . TYR 52 52 16779 1 . LEU 53 53 16779 1 . LEU 54 54 16779 1 . ILE 55 55 16779 1 . ASN 56 56 16779 1 . SER 57 57 16779 1 . ASP 58 58 16779 1 . ILE 59 59 16779 1 . VAL 60 60 16779 1 . CYS 61 61 16779 1 . GLU 62 62 16779 1 . GLN 63 63 16779 1 . ASP 64 64 16779 1 . ILE 65 65 16779 1 . TYR 66 66 16779 1 . GLU 67 67 16779 1 . TRP 68 68 16779 1 . THR 69 69 16779 1 . LYS 70 70 16779 1 . ILE 71 71 16779 1 . ASN 72 72 16779 1 . GLY 73 73 16779 1 . GLY 74 74 16779 1 . SER 75 75 16779 1 . GLY 76 76 16779 1 . GLY 77 77 16779 1 . SER 78 78 16779 1 . GLY 79 79 16779 1 . GLY 80 80 16779 1 . SER 81 81 16779 1 . GLY 82 82 16779 1 . GLY 83 83 16779 1 . ASP 84 84 16779 1 . VAL 85 85 16779 1 . MET 86 86 16779 1 . VAL 87 87 16779 1 . VAL 88 88 16779 1 . GLY 89 89 16779 1 . GLU 90 90 16779 1 . PRO 91 91 16779 1 . THR 92 92 16779 1 . LEU 93 93 16779 1 . MET 94 94 16779 1 . GLY 95 95 16779 1 . GLY 96 96 16779 1 . GLU 97 97 16779 1 . PHE 98 98 16779 1 . GLY 99 99 16779 1 . ASP 100 100 16779 1 . GLU 101 101 16779 1 . ASP 102 102 16779 1 . GLU 103 103 16779 1 . ARG 104 104 16779 1 . LEU 105 105 16779 1 . ILE 106 106 16779 1 . THR 107 107 16779 1 . ARG 108 108 16779 1 . LEU 109 109 16779 1 . GLU 110 110 16779 1 . ASN 111 111 16779 1 . THR 112 112 16779 1 . GLN 113 113 16779 1 . PHE 114 114 16779 1 . ASP 115 115 16779 1 . ALA 116 116 16779 1 . ALA 117 117 16779 1 . ASN 118 118 16779 1 . GLY 119 119 16779 1 . ILE 120 120 16779 1 . ASP 121 121 16779 1 . ASP 122 122 16779 1 . GLU 123 123 16779 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 16779 _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 $Flic . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16779 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 16779 _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 $Flic . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 16779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16779 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C Lmo2-LIM2/Ldb1-LID (Flic) 865 uM pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Flic '[U-100% 13C; U-100% 15N]' . . 1 $Flic . . 865 . . uM . . . . 16779 1 2 DSS 'natural abundance' . . . . . . 17 . . uM . . . . 16779 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16779 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16779 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16779 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16779 1 7 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16779 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16779 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Unlabeled Lmo2-LIM2/Ldb1-LID (Flic) 630 uM pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Flic 'natural abundance' . . 1 $Flic . . 630 . . uM . . . . 16779 2 2 DSS 'natural abundance' . . . . . . 17 . . uM . . . . 16779 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16779 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16779 2 5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16779 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16779 2 7 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16779 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16779 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C Lmo2-LIM2/Ldb1-LID (Flic) 865 uM pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Flic '[U-100% 13C; U-100% 15N]' . . 1 $Flic . . 865 . . uM . . . . 16779 3 2 DSS 'natural abundance' . . . . . . 17 . . uM . . . . 16779 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16779 3 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16779 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16779 3 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16779 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16779 _Sample_condition_list.ID 1 _Sample_condition_list.Details '15N/13C double-labeled Flic (865 uM)in 20 mM MES, 150 mM NaCl and 1 mM DTT at pH 6.5.' 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 6.5 . pH 16779 1 pressure ambient . atm 16779 1 temperature 298 . K 16779 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16779 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16779 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16779 1 'peak picking' 16779 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16779 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1.b9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16779 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16779 2 processing 16779 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16779 _Software.ID 3 _Software.Name TALOS _Software.Version 2009.215.15.29 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16779 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16779 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16779 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16779 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16779 1 2 spectrometer_2 Bruker Avance . 800 . . . 16779 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 16779 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16779 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16779 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16779 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16779 1 13 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16779 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16779 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16779 _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 internal direct 1.0 . . . . . . . . . 16779 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 16779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16779 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 2 2 LEU HA H 1 4.618 0.001 . . . . . . 2 L HA . 16779 1 2 . 1 1 2 2 LEU HB2 H 1 1.515 0.005 . . . . . . 2 L QB . 16779 1 3 . 1 1 2 2 LEU HB3 H 1 1.515 0.005 . . . . . . 2 L QB . 16779 1 4 . 1 1 2 2 LEU C C 13 176.586 0.000 . . . . . . 2 L CO . 16779 1 5 . 1 1 2 2 LEU CB C 13 42.632 0.016 . . . . . . 2 L CB . 16779 1 6 . 1 1 3 3 ARG H H 1 8.174 0.002 . . . . . . 3 R HN . 16779 1 7 . 1 1 3 3 ARG HA H 1 4.252 0.002 . . . . . . 3 R HA . 16779 1 8 . 1 1 3 3 ARG HB2 H 1 1.703 0.002 . . . . . . 3 R HB2 . 16779 1 9 . 1 1 3 3 ARG HD2 H 1 3.137 0.000 . . . . . . 3 R HD . 16779 1 10 . 1 1 3 3 ARG HD3 H 1 3.137 0.000 . . . . . . 3 R HD . 16779 1 11 . 1 1 3 3 ARG HG2 H 1 1.534 0.000 . . . . . . 3 R HG . 16779 1 12 . 1 1 3 3 ARG HG3 H 1 1.534 0.000 . . . . . . 3 R HG . 16779 1 13 . 1 1 3 3 ARG C C 13 175.748 0.080 . . . . . . 3 R CO . 16779 1 14 . 1 1 3 3 ARG CA C 13 55.975 0.085 . . . . . . 3 R CA . 16779 1 15 . 1 1 3 3 ARG CB C 13 30.682 0.023 . . . . . . 3 R CB . 16779 1 16 . 1 1 3 3 ARG CD C 13 43.438 0.000 . . . . . . 3 R CD . 16779 1 17 . 1 1 3 3 ARG CG C 13 27.136 0.000 . . . . . . 3 R CG . 16779 1 18 . 1 1 3 3 ARG N N 15 122.473 0.077 . . . . . . 3 R N . 16779 1 19 . 1 1 4 4 LEU H H 1 8.132 0.004 . . . . . . 4 L HN . 16779 1 20 . 1 1 4 4 LEU HA H 1 4.297 0.014 . . . . . . 4 L HA . 16779 1 21 . 1 1 4 4 LEU HB2 H 1 1.345 0.003 . . . . . . 4 L HB2 . 16779 1 22 . 1 1 4 4 LEU HB3 H 1 1.482 0.004 . . . . . . 4 L HB3 . 16779 1 23 . 1 1 4 4 LEU C C 13 176.925 0.000 . . . . . . 4 L CO . 16779 1 24 . 1 1 4 4 LEU CA C 13 55.041 0.115 . . . . . . 4 L CA . 16779 1 25 . 1 1 4 4 LEU CB C 13 42.556 0.065 . . . . . . 4 L CB . 16779 1 26 . 1 1 4 4 LEU CD1 C 13 25.231 0.000 . . . . . . 4 L CD1 . 16779 1 27 . 1 1 4 4 LEU CD2 C 13 23.398 0.000 . . . . . . 4 L CD2 . 16779 1 28 . 1 1 4 4 LEU CG C 13 26.813 0.000 . . . . . . 4 L CG . 16779 1 29 . 1 1 4 4 LEU N N 15 123.380 0.055 . . . . . . 4 L N . 16779 1 30 . 1 1 5 5 PHE H H 1 8.224 0.002 . . . . . . 5 F HN . 16779 1 31 . 1 1 5 5 PHE HA H 1 4.595 0.006 . . . . . . 5 F HA . 16779 1 32 . 1 1 5 5 PHE HB2 H 1 3.005 0.004 . . . . . . 5 F HB2 . 16779 1 33 . 1 1 5 5 PHE HB3 H 1 3.127 0.003 . . . . . . 5 F HB3 . 16779 1 34 . 1 1 5 5 PHE C C 13 176.352 0.054 . . . . . . 5 F CO . 16779 1 35 . 1 1 5 5 PHE CA C 13 57.914 0.097 . . . . . . 5 F CA . 16779 1 36 . 1 1 5 5 PHE CB C 13 39.745 0.016 . . . . . . 5 F CB . 16779 1 37 . 1 1 5 5 PHE N N 15 120.229 0.011 . . . . . . 5 F N . 16779 1 38 . 1 1 6 6 GLY H H 1 8.493 0.003 . . . . . . 6 G HN . 16779 1 39 . 1 1 6 6 GLY HA2 H 1 3.909 0.005 . . . . . . 6 G HA1 . 16779 1 40 . 1 1 6 6 GLY HA3 H 1 3.734 0.001 . . . . . . 6 G HA2 . 16779 1 41 . 1 1 6 6 GLY C C 13 174.209 0.043 . . . . . . 6 G CO . 16779 1 42 . 1 1 6 6 GLY CA C 13 45.569 0.026 . . . . . . 6 G CA . 16779 1 43 . 1 1 6 6 GLY N N 15 110.702 0.026 . . . . . . 6 G N . 16779 1 44 . 1 1 7 7 GLN H H 1 8.074 0.002 . . . . . . 7 Q HN . 16779 1 45 . 1 1 7 7 GLN HA H 1 4.338 0.009 . . . . . . 7 Q HA . 16779 1 46 . 1 1 7 7 GLN HB2 H 1 2.129 0.003 . . . . . . 7 Q HB2 . 16779 1 47 . 1 1 7 7 GLN HB3 H 1 1.955 0.005 . . . . . . 7 Q HB3 . 16779 1 48 . 1 1 7 7 GLN HE21 H 1 7.539 0.005 . . . . . . 7 Q HE21 . 16779 1 49 . 1 1 7 7 GLN HE22 H 1 6.862 0.006 . . . . . . 7 Q HE22 . 16779 1 50 . 1 1 7 7 GLN HG2 H 1 2.308 0.007 . . . . . . 7 Q HG2 . 16779 1 51 . 1 1 7 7 GLN C C 13 175.329 0.020 . . . . . . 7 Q CO . 16779 1 52 . 1 1 7 7 GLN CA C 13 55.761 0.044 . . . . . . 7 Q CA . 16779 1 53 . 1 1 7 7 GLN CB C 13 29.798 0.041 . . . . . . 7 Q CB . 16779 1 54 . 1 1 7 7 GLN CG C 13 33.980 0.022 . . . . . . 7 Q CG . 16779 1 55 . 1 1 7 7 GLN N N 15 119.717 0.050 . . . . . . 7 Q N . 16779 1 56 . 1 1 7 7 GLN NE2 N 15 112.859 0.022 . . . . . . 7 Q NE2 . 16779 1 57 . 1 1 8 8 ASP H H 1 8.179 0.003 . . . . . . 8 D HN . 16779 1 58 . 1 1 8 8 ASP HA H 1 4.534 0.006 . . . . . . 8 D HA . 16779 1 59 . 1 1 8 8 ASP HB2 H 1 2.616 0.009 . . . . . . 8 D HB2 . 16779 1 60 . 1 1 8 8 ASP HB3 H 1 2.631 0.001 . . . . . . 8 D HB3 . 16779 1 61 . 1 1 8 8 ASP C C 13 176.498 0.047 . . . . . . 8 D CO . 16779 1 62 . 1 1 8 8 ASP CA C 13 54.427 0.045 . . . . . . 8 D CA . 16779 1 63 . 1 1 8 8 ASP CB C 13 41.616 0.079 . . . . . . 8 D CB . 16779 1 64 . 1 1 8 8 ASP N N 15 120.134 0.036 . . . . . . 8 D N . 16779 1 65 . 1 1 9 9 GLY H H 1 8.436 0.006 . . . . . . 9 G HN . 16779 1 66 . 1 1 9 9 GLY HA2 H 1 3.870 0.017 . . . . . . 9 G HA1 . 16779 1 67 . 1 1 9 9 GLY HA3 H 1 3.697 0.009 . . . . . . 9 G HA2 . 16779 1 68 . 1 1 9 9 GLY C C 13 172.677 0.016 . . . . . . 9 G CO . 16779 1 69 . 1 1 9 9 GLY CA C 13 45.498 0.046 . . . . . . 9 G CA . 16779 1 70 . 1 1 9 9 GLY N N 15 108.170 0.037 . . . . . . 9 G N . 16779 1 71 . 1 1 10 10 LEU H H 1 7.719 0.010 . . . . . . 10 L HN . 16779 1 72 . 1 1 10 10 LEU HA H 1 4.364 0.009 . . . . . . 10 L HA . 16779 1 73 . 1 1 10 10 LEU HB2 H 1 1.119 0.016 . . . . . . 10 L HB2 . 16779 1 74 . 1 1 10 10 LEU HB3 H 1 1.459 0.009 . . . . . . 10 L HB3 . 16779 1 75 . 1 1 10 10 LEU HD11 H 1 0.734 0.005 . . . . . . 10 L QD1 . 16779 1 76 . 1 1 10 10 LEU HD12 H 1 0.734 0.005 . . . . . . 10 L QD1 . 16779 1 77 . 1 1 10 10 LEU HD13 H 1 0.734 0.005 . . . . . . 10 L QD1 . 16779 1 78 . 1 1 10 10 LEU HD21 H 1 0.633 0.010 . . . . . . 10 L QD2 . 16779 1 79 . 1 1 10 10 LEU HD22 H 1 0.633 0.010 . . . . . . 10 L QD2 . 16779 1 80 . 1 1 10 10 LEU HD23 H 1 0.633 0.010 . . . . . . 10 L QD2 . 16779 1 81 . 1 1 10 10 LEU HG H 1 1.318 0.009 . . . . . . 10 L HG . 16779 1 82 . 1 1 10 10 LEU C C 13 175.051 0.015 . . . . . . 10 L CO . 16779 1 83 . 1 1 10 10 LEU CA C 13 53.369 0.089 . . . . . . 10 L CA . 16779 1 84 . 1 1 10 10 LEU CB C 13 43.485 0.068 . . . . . . 10 L CB . 16779 1 85 . 1 1 10 10 LEU CD1 C 13 24.576 0.010 . . . . . . 10 L CD1 . 16779 1 86 . 1 1 10 10 LEU CD2 C 13 23.180 0.056 . . . . . . 10 L CD2 . 16779 1 87 . 1 1 10 10 LEU CG C 13 26.832 0.002 . . . . . . 10 L CG . 16779 1 88 . 1 1 10 10 LEU N N 15 121.106 0.097 . . . . . . 10 L N . 16779 1 89 . 1 1 11 11 CYS H H 1 8.116 0.005 . . . . . . 11 C HN . 16779 1 90 . 1 1 11 11 CYS HA H 1 4.387 0.023 . . . . . . 11 C HA . 16779 1 91 . 1 1 11 11 CYS HB2 H 1 2.255 0.008 . . . . . . 11 C HB2 . 16779 1 92 . 1 1 11 11 CYS HB3 H 1 3.483 0.007 . . . . . . 11 C HB3 . 16779 1 93 . 1 1 11 11 CYS C C 13 177.880 0.004 . . . . . . 11 C CO . 16779 1 94 . 1 1 11 11 CYS CA C 13 58.642 0.045 . . . . . . 11 C CA . 16779 1 95 . 1 1 11 11 CYS CB C 13 31.211 0.062 . . . . . . 11 C CB . 16779 1 96 . 1 1 11 11 CYS N N 15 124.226 0.074 . . . . . . 11 C N . 16779 1 97 . 1 1 12 12 ALA H H 1 8.761 0.007 . . . . . . 12 A HN . 16779 1 98 . 1 1 12 12 ALA HA H 1 4.083 0.005 . . . . . . 12 A HA . 16779 1 99 . 1 1 12 12 ALA HB1 H 1 0.970 0.007 . . . . . . 12 A QB . 16779 1 100 . 1 1 12 12 ALA HB2 H 1 0.970 0.007 . . . . . . 12 A QB . 16779 1 101 . 1 1 12 12 ALA HB3 H 1 0.970 0.007 . . . . . . 12 A QB . 16779 1 102 . 1 1 12 12 ALA C C 13 177.283 0.051 . . . . . . 12 A CO . 16779 1 103 . 1 1 12 12 ALA CA C 13 53.831 0.021 . . . . . . 12 A CA . 16779 1 104 . 1 1 12 12 ALA CB C 13 17.976 0.072 . . . . . . 12 A CB . 16779 1 105 . 1 1 12 12 ALA N N 15 132.290 0.034 . . . . . . 12 A N . 16779 1 106 . 1 1 13 13 SER H H 1 8.906 0.007 . . . . . . 13 S HN . 16779 1 107 . 1 1 13 13 SER HA H 1 4.962 0.007 . . . . . . 13 S HA . 16779 1 108 . 1 1 13 13 SER HB2 H 1 4.242 0.006 . . . . . . 13 S QB . 16779 1 109 . 1 1 13 13 SER HB3 H 1 4.242 0.006 . . . . . . 13 S QB . 16779 1 110 . 1 1 13 13 SER C C 13 175.661 0.024 . . . . . . 13 S CO . 16779 1 111 . 1 1 13 13 SER CA C 13 59.412 0.042 . . . . . . 13 S CA . 16779 1 112 . 1 1 13 13 SER CB C 13 64.355 0.078 . . . . . . 13 S CB . 16779 1 113 . 1 1 13 13 SER N N 15 113.627 0.041 . . . . . . 13 S N . 16779 1 114 . 1 1 14 14 CYS H H 1 8.143 0.006 . . . . . . 14 C HN . 16779 1 115 . 1 1 14 14 CYS HA H 1 4.937 0.007 . . . . . . 14 C HA . 16779 1 116 . 1 1 14 14 CYS HB2 H 1 3.093 0.006 . . . . . . 14 C HB2 . 16779 1 117 . 1 1 14 14 CYS HB3 H 1 3.360 0.005 . . . . . . 14 C HB3 . 16779 1 118 . 1 1 14 14 CYS C C 13 175.685 0.000 . . . . . . 14 C CO . 16779 1 119 . 1 1 14 14 CYS CA C 13 59.112 0.042 . . . . . . 14 C CA . 16779 1 120 . 1 1 14 14 CYS CB C 13 31.336 0.019 . . . . . . 14 C CB . 16779 1 121 . 1 1 14 14 CYS N N 15 117.012 0.023 . . . . . . 14 C N . 16779 1 122 . 1 1 15 15 ASP H H 1 8.082 0.006 . . . . . . 15 D HN . 16779 1 123 . 1 1 15 15 ASP HA H 1 4.431 0.003 . . . . . . 15 D HA . 16779 1 124 . 1 1 15 15 ASP HB2 H 1 2.646 0.011 . . . . . . 15 D HB2 . 16779 1 125 . 1 1 15 15 ASP HB3 H 1 3.085 0.005 . . . . . . 15 D HB3 . 16779 1 126 . 1 1 15 15 ASP C C 13 174.066 0.002 . . . . . . 15 D CO . 16779 1 127 . 1 1 15 15 ASP CA C 13 56.402 0.053 . . . . . . 15 D CA . 16779 1 128 . 1 1 15 15 ASP CB C 13 40.730 0.097 . . . . . . 15 D CB . 16779 1 129 . 1 1 15 15 ASP N N 15 119.933 0.142 . . . . . . 15 D N . 16779 1 130 . 1 1 16 16 LYS H H 1 7.906 0.007 . . . . . . 16 K HN . 16779 1 131 . 1 1 16 16 LYS HA H 1 4.700 0.005 . . . . . . 16 K HA . 16779 1 132 . 1 1 16 16 LYS HB2 H 1 1.997 0.011 . . . . . . 16 K HB2 . 16779 1 133 . 1 1 16 16 LYS HB3 H 1 2.085 0.005 . . . . . . 16 K HB3 . 16779 1 134 . 1 1 16 16 LYS HD3 H 1 1.735 0.009 . . . . . . 16 K HD3 . 16779 1 135 . 1 1 16 16 LYS HE2 H 1 3.045 0.008 . . . . . . 16 K HE2 . 16779 1 136 . 1 1 16 16 LYS HG2 H 1 1.512 0.009 . . . . . . 16 K HG2 . 16779 1 137 . 1 1 16 16 LYS HG3 H 1 1.647 0.005 . . . . . . 16 K HG3 . 16779 1 138 . 1 1 16 16 LYS C C 13 176.620 0.012 . . . . . . 16 K CO . 16779 1 139 . 1 1 16 16 LYS CA C 13 54.954 0.049 . . . . . . 16 K CA . 16779 1 140 . 1 1 16 16 LYS CB C 13 34.918 0.034 . . . . . . 16 K CB . 16779 1 141 . 1 1 16 16 LYS CD C 13 29.095 0.000 . . . . . . 16 K CD . 16779 1 142 . 1 1 16 16 LYS CG C 13 25.362 0.062 . . . . . . 16 K CG . 16779 1 143 . 1 1 16 16 LYS N N 15 116.810 0.028 . . . . . . 16 K N . 16779 1 144 . 1 1 17 17 ARG H H 1 8.502 0.006 . . . . . . 17 R HN . 16779 1 145 . 1 1 17 17 ARG HA H 1 4.241 0.005 . . . . . . 17 R HA . 16779 1 146 . 1 1 17 17 ARG HB2 H 1 1.664 0.008 . . . . . . 17 R HB2 . 16779 1 147 . 1 1 17 17 ARG HD2 H 1 3.030 0.011 . . . . . . 17 R HD2 . 16779 1 148 . 1 1 17 17 ARG HG2 H 1 1.381 0.010 . . . . . . 17 R HG2 . 16779 1 149 . 1 1 17 17 ARG HG3 H 1 1.544 0.013 . . . . . . 17 R HG3 . 16779 1 150 . 1 1 17 17 ARG C C 13 176.261 0.000 . . . . . . 17 R CO . 16779 1 151 . 1 1 17 17 ARG CA C 13 56.916 0.020 . . . . . . 17 R CA . 16779 1 152 . 1 1 17 17 ARG CB C 13 30.636 0.038 . . . . . . 17 R CB . 16779 1 153 . 1 1 17 17 ARG CD C 13 43.212 0.000 . . . . . . 17 R CD . 16779 1 154 . 1 1 17 17 ARG CG C 13 27.179 0.000 . . . . . . 17 R CG . 16779 1 155 . 1 1 17 17 ARG N N 15 121.265 0.029 . . . . . . 17 R N . 16779 1 156 . 1 1 18 18 ILE H H 1 8.333 0.005 . . . . . . 18 I HN . 16779 1 157 . 1 1 18 18 ILE HA H 1 3.960 0.006 . . . . . . 18 I HA . 16779 1 158 . 1 1 18 18 ILE HB H 1 1.430 0.010 . . . . . . 18 I HB . 16779 1 159 . 1 1 18 18 ILE HD11 H 1 0.243 0.008 . . . . . . 18 I QD1 . 16779 1 160 . 1 1 18 18 ILE HD12 H 1 0.243 0.008 . . . . . . 18 I QD1 . 16779 1 161 . 1 1 18 18 ILE HD13 H 1 0.243 0.008 . . . . . . 18 I QD1 . 16779 1 162 . 1 1 18 18 ILE HG12 H 1 -0.476 0.007 . . . . . . 18 I HG12 . 16779 1 163 . 1 1 18 18 ILE HG13 H 1 1.236 0.015 . . . . . . 18 I HG13 . 16779 1 164 . 1 1 18 18 ILE HG21 H 1 0.756 0.009 . . . . . . 18 I QG2 . 16779 1 165 . 1 1 18 18 ILE HG22 H 1 0.756 0.009 . . . . . . 18 I QG2 . 16779 1 166 . 1 1 18 18 ILE HG23 H 1 0.756 0.009 . . . . . . 18 I QG2 . 16779 1 167 . 1 1 18 18 ILE C C 13 175.847 0.014 . . . . . . 18 I CO . 16779 1 168 . 1 1 18 18 ILE CA C 13 61.091 0.019 . . . . . . 18 I CA . 16779 1 169 . 1 1 18 18 ILE CB C 13 38.613 0.023 . . . . . . 18 I CB . 16779 1 170 . 1 1 18 18 ILE CD1 C 13 14.378 0.081 . . . . . . 18 I CD1 . 16779 1 171 . 1 1 18 18 ILE CG1 C 13 26.641 0.046 . . . . . . 18 I CG1 . 16779 1 172 . 1 1 18 18 ILE CG2 C 13 18.507 0.036 . . . . . . 18 I CG2 . 16779 1 173 . 1 1 18 18 ILE N N 15 128.073 0.054 . . . . . . 18 I N . 16779 1 174 . 1 1 19 19 ARG H H 1 9.341 0.006 . . . . . . 19 R HN . 16779 1 175 . 1 1 19 19 ARG HA H 1 4.234 0.008 . . . . . . 19 R HA . 16779 1 176 . 1 1 19 19 ARG CA C 13 55.584 0.015 . . . . . . 19 R CA . 16779 1 177 . 1 1 19 19 ARG CB C 13 30.611 0.000 . . . . . . 19 R CB . 16779 1 178 . 1 1 19 19 ARG N N 15 127.508 0.024 . . . . . . 19 R N . 16779 1 179 . 1 1 20 20 ALA HA H 1 3.943 0.000 . . . . . . 20 A HA . 16779 1 180 . 1 1 20 20 ALA CA C 13 54.544 0.000 . . . . . . 20 A CA . 16779 1 181 . 1 1 21 21 TYR HA H 1 4.488 0.013 . . . . . . 21 Y HA . 16779 1 182 . 1 1 21 21 TYR HB2 H 1 2.940 0.004 . . . . . . 21 Y HB2 . 16779 1 183 . 1 1 21 21 TYR HB3 H 1 3.405 0.007 . . . . . . 21 Y HB3 . 16779 1 184 . 1 1 21 21 TYR HD1 H 1 7.048 0.004 . . . . . . 21 Y QD . 16779 1 185 . 1 1 21 21 TYR HD2 H 1 7.048 0.004 . . . . . . 21 Y QD . 16779 1 186 . 1 1 21 21 TYR HE1 H 1 6.868 0.002 . . . . . . 21 Y QE . 16779 1 187 . 1 1 21 21 TYR HE2 H 1 6.868 0.002 . . . . . . 21 Y QE . 16779 1 188 . 1 1 21 21 TYR C C 13 174.971 0.000 . . . . . . 21 Y CO . 16779 1 189 . 1 1 21 21 TYR CA C 13 56.218 0.000 . . . . . . 21 Y CA . 16779 1 190 . 1 1 21 21 TYR CB C 13 36.772 0.019 . . . . . . 21 Y CB . 16779 1 191 . 1 1 22 22 GLU H H 1 7.533 0.006 . . . . . . 22 E HN . 16779 1 192 . 1 1 22 22 GLU HA H 1 4.398 0.005 . . . . . . 22 E HA . 16779 1 193 . 1 1 22 22 GLU HB2 H 1 2.101 0.006 . . . . . . 22 E HB2 . 16779 1 194 . 1 1 22 22 GLU HB3 H 1 2.192 0.015 . . . . . . 22 E HB3 . 16779 1 195 . 1 1 22 22 GLU HG2 H 1 1.954 0.011 . . . . . . 22 E HG2 . 16779 1 196 . 1 1 22 22 GLU HG3 H 1 2.178 0.007 . . . . . . 22 E HG3 . 16779 1 197 . 1 1 22 22 GLU C C 13 175.757 0.018 . . . . . . 22 E CO . 16779 1 198 . 1 1 22 22 GLU CA C 13 56.832 0.032 . . . . . . 22 E CA . 16779 1 199 . 1 1 22 22 GLU CB C 13 31.249 0.036 . . . . . . 22 E CB . 16779 1 200 . 1 1 22 22 GLU CG C 13 38.994 0.064 . . . . . . 22 E CG . 16779 1 201 . 1 1 22 22 GLU N N 15 121.656 0.067 . . . . . . 22 E N . 16779 1 202 . 1 1 23 23 MET H H 1 8.720 0.004 . . . . . . 23 M HN . 16779 1 203 . 1 1 23 23 MET HA H 1 4.814 0.004 . . . . . . 23 M HA . 16779 1 204 . 1 1 23 23 MET HB2 H 1 1.790 0.005 . . . . . . 23 M HB2 . 16779 1 205 . 1 1 23 23 MET HB3 H 1 2.250 0.006 . . . . . . 23 M HB3 . 16779 1 206 . 1 1 23 23 MET HG2 H 1 2.668 0.005 . . . . . . 23 M HG2 . 16779 1 207 . 1 1 23 23 MET HG3 H 1 2.781 0.005 . . . . . . 23 M HG3 . 16779 1 208 . 1 1 23 23 MET C C 13 176.989 0.018 . . . . . . 23 M CO . 16779 1 209 . 1 1 23 23 MET CA C 13 54.584 0.125 . . . . . . 23 M CA . 16779 1 210 . 1 1 23 23 MET CB C 13 32.995 0.098 . . . . . . 23 M CB . 16779 1 211 . 1 1 23 23 MET CG C 13 32.564 0.065 . . . . . . 23 M CG . 16779 1 212 . 1 1 23 23 MET N N 15 119.435 0.034 . . . . . . 23 M N . 16779 1 213 . 1 1 24 24 THR H H 1 8.925 0.006 . . . . . . 24 T HN . 16779 1 214 . 1 1 24 24 THR HA H 1 5.197 0.008 . . . . . . 24 T HA . 16779 1 215 . 1 1 24 24 THR HB H 1 3.922 0.004 . . . . . . 24 T HB . 16779 1 216 . 1 1 24 24 THR HG21 H 1 1.038 0.002 . . . . . . 24 T QG2 . 16779 1 217 . 1 1 24 24 THR HG22 H 1 1.038 0.002 . . . . . . 24 T QG2 . 16779 1 218 . 1 1 24 24 THR HG23 H 1 1.038 0.002 . . . . . . 24 T QG2 . 16779 1 219 . 1 1 24 24 THR C C 13 173.327 0.017 . . . . . . 24 T CO . 16779 1 220 . 1 1 24 24 THR CA C 13 60.187 0.021 . . . . . . 24 T CA . 16779 1 221 . 1 1 24 24 THR CB C 13 73.458 0.029 . . . . . . 24 T CB . 16779 1 222 . 1 1 24 24 THR CG2 C 13 23.255 0.037 . . . . . . 24 T CG2 . 16779 1 223 . 1 1 24 24 THR N N 15 114.367 0.049 . . . . . . 24 T N . 16779 1 224 . 1 1 25 25 MET H H 1 8.412 0.006 . . . . . . 25 M HN . 16779 1 225 . 1 1 25 25 MET HA H 1 4.858 0.005 . . . . . . 25 M HA . 16779 1 226 . 1 1 25 25 MET HB2 H 1 1.132 0.001 . . . . . . 25 M HB2 . 16779 1 227 . 1 1 25 25 MET HB3 H 1 0.985 0.006 . . . . . . 25 M HB3 . 16779 1 228 . 1 1 25 25 MET HG2 H 1 1.452 0.009 . . . . . . 25 M HG2 . 16779 1 229 . 1 1 25 25 MET C C 13 174.893 0.152 . . . . . . 25 M CO . 16779 1 230 . 1 1 25 25 MET CA C 13 52.645 0.025 . . . . . . 25 M CA . 16779 1 231 . 1 1 25 25 MET CB C 13 33.738 0.043 . . . . . . 25 M CB . 16779 1 232 . 1 1 25 25 MET CG C 13 30.717 0.038 . . . . . . 25 M CG . 16779 1 233 . 1 1 25 25 MET N N 15 117.451 0.035 . . . . . . 25 M N . 16779 1 234 . 1 1 26 26 ARG H H 1 8.142 0.004 . . . . . . 26 R HN . 16779 1 235 . 1 1 26 26 ARG HA H 1 4.997 0.007 . . . . . . 26 R HA . 16779 1 236 . 1 1 26 26 ARG HB2 H 1 1.769 0.003 . . . . . . 26 R HB2 . 16779 1 237 . 1 1 26 26 ARG HB3 H 1 1.590 0.008 . . . . . . 26 R HB3 . 16779 1 238 . 1 1 26 26 ARG HD2 H 1 3.067 0.004 . . . . . . 26 R HD2 . 16779 1 239 . 1 1 26 26 ARG HE H 1 7.162 0.008 . . . . . . 26 R HE . 16779 1 240 . 1 1 26 26 ARG HG2 H 1 1.397 0.009 . . . . . . 26 R HG2 . 16779 1 241 . 1 1 26 26 ARG C C 13 175.771 0.077 . . . . . . 26 R CO . 16779 1 242 . 1 1 26 26 ARG CA C 13 55.255 0.038 . . . . . . 26 R CA . 16779 1 243 . 1 1 26 26 ARG CB C 13 31.840 0.063 . . . . . . 26 R CB . 16779 1 244 . 1 1 26 26 ARG CD C 13 43.317 0.043 . . . . . . 26 R CD . 16779 1 245 . 1 1 26 26 ARG CG C 13 28.400 0.024 . . . . . . 26 R CG . 16779 1 246 . 1 1 26 26 ARG N N 15 124.329 0.039 . . . . . . 26 R N . 16779 1 247 . 1 1 26 26 ARG NE N 15 113.994 0.016 . . . . . . 26 R NE . 16779 1 248 . 1 1 27 27 VAL H H 1 8.470 0.007 . . . . . . 27 V HN . 16779 1 249 . 1 1 27 27 VAL HA H 1 4.159 0.006 . . . . . . 27 V HA . 16779 1 250 . 1 1 27 27 VAL HB H 1 2.176 0.005 . . . . . . 27 V HB . 16779 1 251 . 1 1 27 27 VAL HG11 H 1 1.131 0.005 . . . . . . 27 V QG1 . 16779 1 252 . 1 1 27 27 VAL HG12 H 1 1.131 0.005 . . . . . . 27 V QG1 . 16779 1 253 . 1 1 27 27 VAL HG13 H 1 1.131 0.005 . . . . . . 27 V QG1 . 16779 1 254 . 1 1 27 27 VAL HG21 H 1 0.924 0.005 . . . . . . 27 V QG2 . 16779 1 255 . 1 1 27 27 VAL HG22 H 1 0.924 0.005 . . . . . . 27 V QG2 . 16779 1 256 . 1 1 27 27 VAL HG23 H 1 0.924 0.005 . . . . . . 27 V QG2 . 16779 1 257 . 1 1 27 27 VAL C C 13 174.476 0.009 . . . . . . 27 V CO . 16779 1 258 . 1 1 27 27 VAL CA C 13 61.274 0.034 . . . . . . 27 V CA . 16779 1 259 . 1 1 27 27 VAL CB C 13 34.305 0.067 . . . . . . 27 V CB . 16779 1 260 . 1 1 27 27 VAL CG1 C 13 21.849 0.030 . . . . . . 27 V CG1 . 16779 1 261 . 1 1 27 27 VAL CG2 C 13 21.075 0.059 . . . . . . 27 V CG2 . 16779 1 262 . 1 1 27 27 VAL N N 15 124.981 0.050 . . . . . . 27 V N . 16779 1 263 . 1 1 28 28 LYS H H 1 9.178 0.007 . . . . . . 28 K HN . 16779 1 264 . 1 1 28 28 LYS HA H 1 3.721 0.007 . . . . . . 28 K HA . 16779 1 265 . 1 1 28 28 LYS HB2 H 1 1.914 0.004 . . . . . . 28 K HB2 . 16779 1 266 . 1 1 28 28 LYS HB3 H 1 2.129 0.003 . . . . . . 28 K HB3 . 16779 1 267 . 1 1 28 28 LYS HD2 H 1 1.743 0.007 . . . . . . 28 K HD2 . 16779 1 268 . 1 1 28 28 LYS HG2 H 1 1.467 0.004 . . . . . . 28 K HG2 . 16779 1 269 . 1 1 28 28 LYS HG3 H 1 1.521 0.004 . . . . . . 28 K HG3 . 16779 1 270 . 1 1 28 28 LYS C C 13 175.507 0.018 . . . . . . 28 K CO . 16779 1 271 . 1 1 28 28 LYS CA C 13 58.705 0.020 . . . . . . 28 K CA . 16779 1 272 . 1 1 28 28 LYS CB C 13 29.592 0.016 . . . . . . 28 K CB . 16779 1 273 . 1 1 28 28 LYS CD C 13 29.516 0.000 . . . . . . 28 K CD . 16779 1 274 . 1 1 28 28 LYS CE C 13 42.323 0.000 . . . . . . 28 K CE . 16779 1 275 . 1 1 28 28 LYS CG C 13 25.657 0.000 . . . . . . 28 K CG . 16779 1 276 . 1 1 28 28 LYS N N 15 124.349 0.025 . . . . . . 28 K N . 16779 1 277 . 1 1 29 29 ASP H H 1 8.831 0.005 . . . . . . 29 D HN . 16779 1 278 . 1 1 29 29 ASP HA H 1 4.620 0.003 . . . . . . 29 D HA . 16779 1 279 . 1 1 29 29 ASP HB2 H 1 2.654 0.005 . . . . . . 29 D HB2 . 16779 1 280 . 1 1 29 29 ASP HB3 H 1 2.915 0.003 . . . . . . 29 D HB3 . 16779 1 281 . 1 1 29 29 ASP C C 13 175.337 0.034 . . . . . . 29 D CO . 16779 1 282 . 1 1 29 29 ASP CA C 13 54.064 0.014 . . . . . . 29 D CA . 16779 1 283 . 1 1 29 29 ASP CB C 13 39.946 0.030 . . . . . . 29 D CB . 16779 1 284 . 1 1 29 29 ASP N N 15 121.681 0.032 . . . . . . 29 D N . 16779 1 285 . 1 1 30 30 LYS H H 1 8.643 0.004 . . . . . . 30 K HN . 16779 1 286 . 1 1 30 30 LYS HA H 1 4.473 0.005 . . . . . . 30 K HA . 16779 1 287 . 1 1 30 30 LYS HB2 H 1 1.486 0.007 . . . . . . 30 K HB2 . 16779 1 288 . 1 1 30 30 LYS HB3 H 1 2.148 0.008 . . . . . . 30 K HB3 . 16779 1 289 . 1 1 30 30 LYS HD2 H 1 2.812 0.000 . . . . . . 30 K HD2 . 16779 1 290 . 1 1 30 30 LYS HE2 H 1 3.068 0.011 . . . . . . 30 K HE2 . 16779 1 291 . 1 1 30 30 LYS HE3 H 1 2.999 0.001 . . . . . . 30 K HE3 . 16779 1 292 . 1 1 30 30 LYS HG2 H 1 1.560 0.004 . . . . . . 30 K HG2 . 16779 1 293 . 1 1 30 30 LYS HG3 H 1 1.645 0.003 . . . . . . 30 K HG3 . 16779 1 294 . 1 1 30 30 LYS C C 13 175.367 0.019 . . . . . . 30 K CO . 16779 1 295 . 1 1 30 30 LYS CA C 13 55.212 0.039 . . . . . . 30 K CA . 16779 1 296 . 1 1 30 30 LYS CB C 13 35.517 0.040 . . . . . . 30 K CB . 16779 1 297 . 1 1 30 30 LYS CD C 13 28.951 0.000 . . . . . . 30 K CD . 16779 1 298 . 1 1 30 30 LYS CE C 13 42.761 0.059 . . . . . . 30 K CE . 16779 1 299 . 1 1 30 30 LYS CG C 13 25.285 0.000 . . . . . . 30 K CG . 16779 1 300 . 1 1 30 30 LYS N N 15 121.462 0.028 . . . . . . 30 K N . 16779 1 301 . 1 1 31 31 VAL H H 1 8.495 0.003 . . . . . . 31 V HN . 16779 1 302 . 1 1 31 31 VAL HA H 1 4.850 0.003 . . . . . . 31 V HA . 16779 1 303 . 1 1 31 31 VAL HB H 1 1.769 0.006 . . . . . . 31 V HB . 16779 1 304 . 1 1 31 31 VAL HG11 H 1 0.719 0.009 . . . . . . 31 V QG1 . 16779 1 305 . 1 1 31 31 VAL HG12 H 1 0.719 0.009 . . . . . . 31 V QG1 . 16779 1 306 . 1 1 31 31 VAL HG13 H 1 0.719 0.009 . . . . . . 31 V QG1 . 16779 1 307 . 1 1 31 31 VAL C C 13 172.785 0.002 . . . . . . 31 V CO . 16779 1 308 . 1 1 31 31 VAL CA C 13 60.266 0.043 . . . . . . 31 V CA . 16779 1 309 . 1 1 31 31 VAL CB C 13 34.468 0.036 . . . . . . 31 V CB . 16779 1 310 . 1 1 31 31 VAL CG1 C 13 21.516 0.073 . . . . . . 31 V CG1 . 16779 1 311 . 1 1 31 31 VAL N N 15 119.935 0.022 . . . . . . 31 V N . 16779 1 312 . 1 1 32 32 TYR H H 1 8.486 0.006 . . . . . . 32 Y HN . 16779 1 313 . 1 1 32 32 TYR HA H 1 5.810 0.006 . . . . . . 32 Y HA . 16779 1 314 . 1 1 32 32 TYR HB2 H 1 2.582 0.004 . . . . . . 32 Y HB2 . 16779 1 315 . 1 1 32 32 TYR HB3 H 1 3.117 0.006 . . . . . . 32 Y HB3 . 16779 1 316 . 1 1 32 32 TYR HD1 H 1 6.976 0.003 . . . . . . 32 Y QD . 16779 1 317 . 1 1 32 32 TYR HD2 H 1 6.976 0.003 . . . . . . 32 Y QD . 16779 1 318 . 1 1 32 32 TYR HE1 H 1 6.623 0.007 . . . . . . 32 Y QE . 16779 1 319 . 1 1 32 32 TYR HE2 H 1 6.623 0.007 . . . . . . 32 Y QE . 16779 1 320 . 1 1 32 32 TYR C C 13 178.698 0.012 . . . . . . 32 Y CO . 16779 1 321 . 1 1 32 32 TYR CA C 13 56.004 0.028 . . . . . . 32 Y CA . 16779 1 322 . 1 1 32 32 TYR CB C 13 42.505 0.012 . . . . . . 32 Y CB . 16779 1 323 . 1 1 32 32 TYR CD1 C 13 133.041 0.057 . . . . . . 32 Y CD1 . 16779 1 324 . 1 1 32 32 TYR N N 15 120.804 0.082 . . . . . . 32 Y N . 16779 1 325 . 1 1 33 33 HIS H H 1 9.052 0.007 . . . . . . 33 H HN . 16779 1 326 . 1 1 33 33 HIS HA H 1 4.514 0.007 . . . . . . 33 H HA . 16779 1 327 . 1 1 33 33 HIS HB2 H 1 3.703 0.007 . . . . . . 33 H HB2 . 16779 1 328 . 1 1 33 33 HIS HB3 H 1 3.750 0.001 . . . . . . 33 H HB3 . 16779 1 329 . 1 1 33 33 HIS HD2 H 1 7.551 0.003 . . . . . . 33 H HD2 . 16779 1 330 . 1 1 33 33 HIS HE1 H 1 7.268 0.000 . . . . . . 33 H HE1 . 16779 1 331 . 1 1 33 33 HIS C C 13 178.343 0.029 . . . . . . 33 H CO . 16779 1 332 . 1 1 33 33 HIS CA C 13 60.047 0.008 . . . . . . 33 H CA . 16779 1 333 . 1 1 33 33 HIS CB C 13 31.035 0.037 . . . . . . 33 H CB . 16779 1 334 . 1 1 33 33 HIS N N 15 122.354 0.046 . . . . . . 33 H N . 16779 1 335 . 1 1 34 34 LEU H H 1 8.577 0.008 . . . . . . 34 L HN . 16779 1 336 . 1 1 34 34 LEU HA H 1 4.014 0.004 . . . . . . 34 L HA . 16779 1 337 . 1 1 34 34 LEU HB2 H 1 1.345 0.006 . . . . . . 34 L HB2 . 16779 1 338 . 1 1 34 34 LEU HB3 H 1 1.843 0.005 . . . . . . 34 L HB3 . 16779 1 339 . 1 1 34 34 LEU HD11 H 1 0.911 0.003 . . . . . . 34 L QD1 . 16779 1 340 . 1 1 34 34 LEU HD12 H 1 0.911 0.003 . . . . . . 34 L QD1 . 16779 1 341 . 1 1 34 34 LEU HD13 H 1 0.911 0.003 . . . . . . 34 L QD1 . 16779 1 342 . 1 1 34 34 LEU HD21 H 1 0.993 0.004 . . . . . . 34 L QD2 . 16779 1 343 . 1 1 34 34 LEU HD22 H 1 0.993 0.004 . . . . . . 34 L QD2 . 16779 1 344 . 1 1 34 34 LEU HD23 H 1 0.993 0.004 . . . . . . 34 L QD2 . 16779 1 345 . 1 1 34 34 LEU HG H 1 1.732 0.001 . . . . . . 34 L HG . 16779 1 346 . 1 1 34 34 LEU C C 13 180.380 0.011 . . . . . . 34 L CO . 16779 1 347 . 1 1 34 34 LEU CA C 13 59.422 0.041 . . . . . . 34 L CA . 16779 1 348 . 1 1 34 34 LEU CB C 13 41.457 0.036 . . . . . . 34 L CB . 16779 1 349 . 1 1 34 34 LEU CD1 C 13 24.510 0.000 . . . . . . 34 L CD1 . 16779 1 350 . 1 1 34 34 LEU CD2 C 13 24.157 0.032 . . . . . . 34 L CD2 . 16779 1 351 . 1 1 34 34 LEU CG C 13 27.136 0.000 . . . . . . 34 L CG . 16779 1 352 . 1 1 34 34 LEU N N 15 125.488 0.030 . . . . . . 34 L N . 16779 1 353 . 1 1 35 35 GLU H H 1 9.373 0.006 . . . . . . 35 E HN . 16779 1 354 . 1 1 35 35 GLU HA H 1 4.177 0.007 . . . . . . 35 E HA . 16779 1 355 . 1 1 35 35 GLU HB2 H 1 2.089 0.007 . . . . . . 35 E HB2 . 16779 1 356 . 1 1 35 35 GLU HB3 H 1 2.129 0.006 . . . . . . 35 E HB3 . 16779 1 357 . 1 1 35 35 GLU HG2 H 1 2.382 0.004 . . . . . . 35 E HG2 . 16779 1 358 . 1 1 35 35 GLU HG3 H 1 2.420 0.002 . . . . . . 35 E HG3 . 16779 1 359 . 1 1 35 35 GLU C C 13 177.672 0.011 . . . . . . 35 E CO . 16779 1 360 . 1 1 35 35 GLU CA C 13 58.704 0.017 . . . . . . 35 E CA . 16779 1 361 . 1 1 35 35 GLU CB C 13 29.318 0.034 . . . . . . 35 E CB . 16779 1 362 . 1 1 35 35 GLU CG C 13 36.476 0.076 . . . . . . 35 E CG . 16779 1 363 . 1 1 35 35 GLU N N 15 115.626 0.029 . . . . . . 35 E N . 16779 1 364 . 1 1 36 36 CYS H H 1 7.401 0.006 . . . . . . 36 C HN . 16779 1 365 . 1 1 36 36 CYS HA H 1 4.332 0.006 . . . . . . 36 C HA . 16779 1 366 . 1 1 36 36 CYS HB2 H 1 3.293 0.008 . . . . . . 36 C HB2 . 16779 1 367 . 1 1 36 36 CYS HB3 H 1 3.534 0.005 . . . . . . 36 C HB3 . 16779 1 368 . 1 1 36 36 CYS C C 13 174.090 0.007 . . . . . . 36 C CO . 16779 1 369 . 1 1 36 36 CYS CA C 13 60.638 0.018 . . . . . . 36 C CA . 16779 1 370 . 1 1 36 36 CYS CB C 13 30.944 0.023 . . . . . . 36 C CB . 16779 1 371 . 1 1 36 36 CYS N N 15 115.965 0.025 . . . . . . 36 C N . 16779 1 372 . 1 1 37 37 PHE H H 1 7.702 0.007 . . . . . . 37 F HN . 16779 1 373 . 1 1 37 37 PHE HA H 1 4.094 0.005 . . . . . . 37 F HA . 16779 1 374 . 1 1 37 37 PHE HB2 H 1 2.494 0.008 . . . . . . 37 F HB2 . 16779 1 375 . 1 1 37 37 PHE HB3 H 1 3.496 0.007 . . . . . . 37 F HB3 . 16779 1 376 . 1 1 37 37 PHE HD1 H 1 6.610 0.004 . . . . . . 37 F QD . 16779 1 377 . 1 1 37 37 PHE HD2 H 1 6.610 0.004 . . . . . . 37 F QD . 16779 1 378 . 1 1 37 37 PHE HE1 H 1 6.264 0.004 . . . . . . 37 F QE . 16779 1 379 . 1 1 37 37 PHE HE2 H 1 6.264 0.004 . . . . . . 37 F QE . 16779 1 380 . 1 1 37 37 PHE HZ H 1 5.643 0.002 . . . . . . 37 F HZ . 16779 1 381 . 1 1 37 37 PHE C C 13 171.230 0.022 . . . . . . 37 F CO . 16779 1 382 . 1 1 37 37 PHE CA C 13 58.215 0.009 . . . . . . 37 F CA . 16779 1 383 . 1 1 37 37 PHE CB C 13 37.492 0.038 . . . . . . 37 F CB . 16779 1 384 . 1 1 37 37 PHE N N 15 124.554 0.045 . . . . . . 37 F N . 16779 1 385 . 1 1 38 38 LYS H H 1 6.943 0.006 . . . . . . 38 K HN . 16779 1 386 . 1 1 38 38 LYS HA H 1 4.613 0.006 . . . . . . 38 K HA . 16779 1 387 . 1 1 38 38 LYS HB2 H 1 0.916 0.007 . . . . . . 38 K HB2 . 16779 1 388 . 1 1 38 38 LYS HB3 H 1 0.800 0.008 . . . . . . 38 K HB3 . 16779 1 389 . 1 1 38 38 LYS HD2 H 1 1.375 0.003 . . . . . . 38 K HD2 . 16779 1 390 . 1 1 38 38 LYS HD3 H 1 1.301 0.003 . . . . . . 38 K HD3 . 16779 1 391 . 1 1 38 38 LYS HE2 H 1 2.889 0.005 . . . . . . 38 K HE2 . 16779 1 392 . 1 1 38 38 LYS HG2 H 1 0.811 0.002 . . . . . . 38 K HG2 . 16779 1 393 . 1 1 38 38 LYS HG3 H 1 0.710 0.003 . . . . . . 38 K HG3 . 16779 1 394 . 1 1 38 38 LYS C C 13 173.473 0.019 . . . . . . 38 K CO . 16779 1 395 . 1 1 38 38 LYS CA C 13 53.357 0.020 . . . . . . 38 K CA . 16779 1 396 . 1 1 38 38 LYS CB C 13 35.210 0.047 . . . . . . 38 K CB . 16779 1 397 . 1 1 38 38 LYS CD C 13 29.656 0.022 . . . . . . 38 K CD . 16779 1 398 . 1 1 38 38 LYS CE C 13 42.428 0.050 . . . . . . 38 K CE . 16779 1 399 . 1 1 38 38 LYS CG C 13 22.945 0.000 . . . . . . 38 K CG . 16779 1 400 . 1 1 38 38 LYS N N 15 122.747 0.037 . . . . . . 38 K N . 16779 1 401 . 1 1 39 39 CYS H H 1 7.690 0.004 . . . . . . 39 C HN . 16779 1 402 . 1 1 39 39 CYS HA H 1 4.144 0.004 . . . . . . 39 C HA . 16779 1 403 . 1 1 39 39 CYS HB2 H 1 2.392 0.004 . . . . . . 39 C HB2 . 16779 1 404 . 1 1 39 39 CYS HB3 H 1 3.068 0.006 . . . . . . 39 C HB3 . 16779 1 405 . 1 1 39 39 CYS C C 13 176.932 0.002 . . . . . . 39 C CO . 16779 1 406 . 1 1 39 39 CYS CA C 13 58.820 0.014 . . . . . . 39 C CA . 16779 1 407 . 1 1 39 39 CYS CB C 13 30.914 0.018 . . . . . . 39 C CB . 16779 1 408 . 1 1 39 39 CYS N N 15 122.269 0.034 . . . . . . 39 C N . 16779 1 409 . 1 1 40 40 ALA H H 1 9.567 0.007 . . . . . . 40 A HN . 16779 1 410 . 1 1 40 40 ALA HA H 1 4.010 0.004 . . . . . . 40 A HA . 16779 1 411 . 1 1 40 40 ALA HB1 H 1 1.115 0.005 . . . . . . 40 A QB . 16779 1 412 . 1 1 40 40 ALA HB2 H 1 1.115 0.005 . . . . . . 40 A QB . 16779 1 413 . 1 1 40 40 ALA HB3 H 1 1.115 0.005 . . . . . . 40 A QB . 16779 1 414 . 1 1 40 40 ALA C C 13 177.238 0.056 . . . . . . 40 A CO . 16779 1 415 . 1 1 40 40 ALA CA C 13 54.554 0.062 . . . . . . 40 A CA . 16779 1 416 . 1 1 40 40 ALA CB C 13 19.347 0.033 . . . . . . 40 A CB . 16779 1 417 . 1 1 40 40 ALA N N 15 133.304 0.057 . . . . . . 40 A N . 16779 1 418 . 1 1 41 41 ALA H H 1 8.910 0.006 . . . . . . 41 A HN . 16779 1 419 . 1 1 41 41 ALA HA H 1 4.544 0.002 . . . . . . 41 A HA . 16779 1 420 . 1 1 41 41 ALA HB1 H 1 1.504 0.009 . . . . . . 41 A QB . 16779 1 421 . 1 1 41 41 ALA HB2 H 1 1.504 0.009 . . . . . . 41 A QB . 16779 1 422 . 1 1 41 41 ALA HB3 H 1 1.504 0.009 . . . . . . 41 A QB . 16779 1 423 . 1 1 41 41 ALA C C 13 178.171 0.010 . . . . . . 41 A CO . 16779 1 424 . 1 1 41 41 ALA CA C 13 53.797 0.007 . . . . . . 41 A CA . 16779 1 425 . 1 1 41 41 ALA CB C 13 20.208 0.030 . . . . . . 41 A CB . 16779 1 426 . 1 1 41 41 ALA N N 15 121.826 0.023 . . . . . . 41 A N . 16779 1 427 . 1 1 42 42 CYS H H 1 8.076 0.007 . . . . . . 42 C HN . 16779 1 428 . 1 1 42 42 CYS HA H 1 4.844 0.006 . . . . . . 42 C HA . 16779 1 429 . 1 1 42 42 CYS HB2 H 1 3.115 0.005 . . . . . . 42 C HB2 . 16779 1 430 . 1 1 42 42 CYS HB3 H 1 3.283 0.003 . . . . . . 42 C HB3 . 16779 1 431 . 1 1 42 42 CYS C C 13 176.512 0.006 . . . . . . 42 C CO . 16779 1 432 . 1 1 42 42 CYS CA C 13 59.081 0.027 . . . . . . 42 C CA . 16779 1 433 . 1 1 42 42 CYS CB C 13 30.879 0.021 . . . . . . 42 C CB . 16779 1 434 . 1 1 42 42 CYS N N 15 117.205 0.032 . . . . . . 42 C N . 16779 1 435 . 1 1 43 43 GLN H H 1 7.774 0.006 . . . . . . 43 Q HN . 16779 1 436 . 1 1 43 43 GLN HA H 1 3.978 0.005 . . . . . . 43 Q HA . 16779 1 437 . 1 1 43 43 GLN HB2 H 1 2.249 0.007 . . . . . . 43 Q HB2 . 16779 1 438 . 1 1 43 43 GLN HB3 H 1 2.372 0.008 . . . . . . 43 Q HB3 . 16779 1 439 . 1 1 43 43 GLN HE21 H 1 7.082 0.009 . . . . . . 43 Q HE21 . 16779 1 440 . 1 1 43 43 GLN HE22 H 1 6.671 0.008 . . . . . . 43 Q HE22 . 16779 1 441 . 1 1 43 43 GLN HG2 H 1 2.100 0.004 . . . . . . 43 Q HG2 . 16779 1 442 . 1 1 43 43 GLN HG3 H 1 2.231 0.000 . . . . . . 43 Q HG3 . 16779 1 443 . 1 1 43 43 GLN C C 13 174.340 0.018 . . . . . . 43 Q CO . 16779 1 444 . 1 1 43 43 GLN CA C 13 57.473 0.017 . . . . . . 43 Q CA . 16779 1 445 . 1 1 43 43 GLN CB C 13 25.698 0.053 . . . . . . 43 Q CB . 16779 1 446 . 1 1 43 43 GLN CG C 13 33.879 0.049 . . . . . . 43 Q CG . 16779 1 447 . 1 1 43 43 GLN N N 15 115.811 0.042 . . . . . . 43 Q N . 16779 1 448 . 1 1 43 43 GLN NE2 N 15 113.741 0.022 . . . . . . 43 Q NE2 . 16779 1 449 . 1 1 44 44 LYS H H 1 8.131 0.004 . . . . . . 44 K HN . 16779 1 450 . 1 1 44 44 LYS HA H 1 4.171 0.005 . . . . . . 44 K HA . 16779 1 451 . 1 1 44 44 LYS HB2 H 1 1.684 0.002 . . . . . . 44 K HB2 . 16779 1 452 . 1 1 44 44 LYS HB3 H 1 1.821 0.005 . . . . . . 44 K HB3 . 16779 1 453 . 1 1 44 44 LYS HD2 H 1 1.493 0.004 . . . . . . 44 K HD2 . 16779 1 454 . 1 1 44 44 LYS HD3 H 1 1.442 0.004 . . . . . . 44 K HD3 . 16779 1 455 . 1 1 44 44 LYS HE2 H 1 2.731 0.001 . . . . . . 44 K HE2 . 16779 1 456 . 1 1 44 44 LYS HG2 H 1 0.938 0.005 . . . . . . 44 K HG2 . 16779 1 457 . 1 1 44 44 LYS HG3 H 1 0.504 0.009 . . . . . . 44 K HG3 . 16779 1 458 . 1 1 44 44 LYS C C 13 175.843 0.013 . . . . . . 44 K CO . 16779 1 459 . 1 1 44 44 LYS CA C 13 57.260 0.043 . . . . . . 44 K CA . 16779 1 460 . 1 1 44 44 LYS CB C 13 32.206 0.032 . . . . . . 44 K CB . 16779 1 461 . 1 1 44 44 LYS CD C 13 29.355 0.033 . . . . . . 44 K CD . 16779 1 462 . 1 1 44 44 LYS CG C 13 24.237 0.017 . . . . . . 44 K CG . 16779 1 463 . 1 1 44 44 LYS N N 15 120.466 0.036 . . . . . . 44 K N . 16779 1 464 . 1 1 45 45 HIS H H 1 8.341 0.008 . . . . . . 45 H HN . 16779 1 465 . 1 1 45 45 HIS HA H 1 4.457 0.009 . . . . . . 45 H HA . 16779 1 466 . 1 1 45 45 HIS HB2 H 1 2.991 0.007 . . . . . . 45 H HB2 . 16779 1 467 . 1 1 45 45 HIS HB3 H 1 3.421 0.006 . . . . . . 45 H HB3 . 16779 1 468 . 1 1 45 45 HIS HD2 H 1 7.320 0.010 . . . . . . 45 H HD2 . 16779 1 469 . 1 1 45 45 HIS HE1 H 1 7.069 0.002 . . . . . . 45 H HE1 . 16779 1 470 . 1 1 45 45 HIS C C 13 174.587 0.016 . . . . . . 45 H CO . 16779 1 471 . 1 1 45 45 HIS CA C 13 56.151 0.067 . . . . . . 45 H CA . 16779 1 472 . 1 1 45 45 HIS CB C 13 29.335 0.125 . . . . . . 45 H CB . 16779 1 473 . 1 1 45 45 HIS N N 15 118.929 0.070 . . . . . . 45 H N . 16779 1 474 . 1 1 45 45 HIS ND1 N 15 171.102 0.010 . . . . . . 45 H ND1 . 16779 1 475 . 1 1 45 45 HIS NE2 N 15 223.047 0.003 . . . . . . 45 H NE2 . 16779 1 476 . 1 1 46 46 PHE H H 1 8.593 0.008 . . . . . . 46 F HN . 16779 1 477 . 1 1 46 46 PHE HA H 1 4.628 0.006 . . . . . . 46 F HA . 16779 1 478 . 1 1 46 46 PHE HB2 H 1 2.768 0.008 . . . . . . 46 F HB2 . 16779 1 479 . 1 1 46 46 PHE HB3 H 1 3.200 0.005 . . . . . . 46 F HB3 . 16779 1 480 . 1 1 46 46 PHE HD1 H 1 6.938 0.004 . . . . . . 46 F QD . 16779 1 481 . 1 1 46 46 PHE HD2 H 1 6.938 0.004 . . . . . . 46 F QD . 16779 1 482 . 1 1 46 46 PHE HE1 H 1 6.603 0.003 . . . . . . 46 F QE . 16779 1 483 . 1 1 46 46 PHE HE2 H 1 6.603 0.003 . . . . . . 46 F QE . 16779 1 484 . 1 1 46 46 PHE HZ H 1 6.425 0.005 . . . . . . 46 F HZ . 16779 1 485 . 1 1 46 46 PHE C C 13 176.022 0.041 . . . . . . 46 F CO . 16779 1 486 . 1 1 46 46 PHE CA C 13 58.741 0.014 . . . . . . 46 F CA . 16779 1 487 . 1 1 46 46 PHE CB C 13 42.864 0.047 . . . . . . 46 F CB . 16779 1 488 . 1 1 46 46 PHE N N 15 120.290 0.039 . . . . . . 46 F N . 16779 1 489 . 1 1 47 47 SER H H 1 9.153 0.006 . . . . . . 47 S HN . 16779 1 490 . 1 1 47 47 SER HA H 1 4.812 0.004 . . . . . . 47 S HA . 16779 1 491 . 1 1 47 47 SER HB2 H 1 3.718 0.009 . . . . . . 47 S HB2 . 16779 1 492 . 1 1 47 47 SER HB3 H 1 3.913 0.006 . . . . . . 47 S HB3 . 16779 1 493 . 1 1 47 47 SER C C 13 173.352 0.011 . . . . . . 47 S CO . 16779 1 494 . 1 1 47 47 SER CA C 13 56.936 0.016 . . . . . . 47 S CA . 16779 1 495 . 1 1 47 47 SER CB C 13 65.103 0.023 . . . . . . 47 S CB . 16779 1 496 . 1 1 47 47 SER N N 15 118.661 0.044 . . . . . . 47 S N . 16779 1 497 . 1 1 48 48 VAL H H 1 8.389 0.006 . . . . . . 48 V HN . 16779 1 498 . 1 1 48 48 VAL HA H 1 3.410 0.004 . . . . . . 48 V HA . 16779 1 499 . 1 1 48 48 VAL HB H 1 1.918 0.005 . . . . . . 48 V HB . 16779 1 500 . 1 1 48 48 VAL HG11 H 1 1.014 0.005 . . . . . . 48 V QG1 . 16779 1 501 . 1 1 48 48 VAL HG12 H 1 1.014 0.005 . . . . . . 48 V QG1 . 16779 1 502 . 1 1 48 48 VAL HG13 H 1 1.014 0.005 . . . . . . 48 V QG1 . 16779 1 503 . 1 1 48 48 VAL HG21 H 1 0.951 0.004 . . . . . . 48 V QG2 . 16779 1 504 . 1 1 48 48 VAL HG22 H 1 0.951 0.004 . . . . . . 48 V QG2 . 16779 1 505 . 1 1 48 48 VAL HG23 H 1 0.951 0.004 . . . . . . 48 V QG2 . 16779 1 506 . 1 1 48 48 VAL C C 13 177.623 0.002 . . . . . . 48 V CO . 16779 1 507 . 1 1 48 48 VAL CA C 13 65.153 0.024 . . . . . . 48 V CA . 16779 1 508 . 1 1 48 48 VAL CB C 13 31.432 0.047 . . . . . . 48 V CB . 16779 1 509 . 1 1 48 48 VAL CG1 C 13 21.983 0.051 . . . . . . 48 V CG1 . 16779 1 510 . 1 1 48 48 VAL CG2 C 13 20.707 0.062 . . . . . . 48 V CG2 . 16779 1 511 . 1 1 48 48 VAL N N 15 123.300 0.040 . . . . . . 48 V N . 16779 1 512 . 1 1 49 49 GLY H H 1 9.014 0.006 . . . . . . 49 G HN . 16779 1 513 . 1 1 49 49 GLY HA2 H 1 4.545 0.006 . . . . . . 49 G HA1 . 16779 1 514 . 1 1 49 49 GLY HA3 H 1 3.502 0.007 . . . . . . 49 G HA2 . 16779 1 515 . 1 1 49 49 GLY C C 13 174.594 0.000 . . . . . . 49 G CO . 16779 1 516 . 1 1 49 49 GLY CA C 13 44.891 0.030 . . . . . . 49 G CA . 16779 1 517 . 1 1 49 49 GLY N N 15 116.414 0.035 . . . . . . 49 G N . 16779 1 518 . 1 1 50 50 ASP H H 1 8.179 0.004 . . . . . . 50 D HN . 16779 1 519 . 1 1 50 50 ASP HA H 1 4.730 0.003 . . . . . . 50 D HA . 16779 1 520 . 1 1 50 50 ASP HB2 H 1 3.088 0.001 . . . . . . 50 D HB2 . 16779 1 521 . 1 1 50 50 ASP HB3 H 1 3.169 0.006 . . . . . . 50 D HB3 . 16779 1 522 . 1 1 50 50 ASP C C 13 175.276 0.005 . . . . . . 50 D CO . 16779 1 523 . 1 1 50 50 ASP CA C 13 55.252 0.009 . . . . . . 50 D CA . 16779 1 524 . 1 1 50 50 ASP CB C 13 42.496 0.048 . . . . . . 50 D CB . 16779 1 525 . 1 1 50 50 ASP N N 15 121.856 0.025 . . . . . . 50 D N . 16779 1 526 . 1 1 51 51 ARG H H 1 8.552 0.004 . . . . . . 51 R HN . 16779 1 527 . 1 1 51 51 ARG HA H 1 5.572 0.005 . . . . . . 51 R HA . 16779 1 528 . 1 1 51 51 ARG HB2 H 1 1.628 0.007 . . . . . . 51 R HB2 . 16779 1 529 . 1 1 51 51 ARG HB3 H 1 1.717 0.004 . . . . . . 51 R HB3 . 16779 1 530 . 1 1 51 51 ARG HD2 H 1 3.192 0.005 . . . . . . 51 R HD2 . 16779 1 531 . 1 1 51 51 ARG HD3 H 1 3.243 0.008 . . . . . . 51 R HD3 . 16779 1 532 . 1 1 51 51 ARG HE H 1 7.813 0.003 . . . . . . 51 R HE . 16779 1 533 . 1 1 51 51 ARG HG2 H 1 1.718 0.003 . . . . . . 51 R HG2 . 16779 1 534 . 1 1 51 51 ARG HG3 H 1 1.552 0.002 . . . . . . 51 R HG3 . 16779 1 535 . 1 1 51 51 ARG C C 13 176.472 0.011 . . . . . . 51 R CO . 16779 1 536 . 1 1 51 51 ARG CA C 13 55.204 0.048 . . . . . . 51 R CA . 16779 1 537 . 1 1 51 51 ARG CB C 13 32.816 0.039 . . . . . . 51 R CB . 16779 1 538 . 1 1 51 51 ARG CD C 13 43.412 0.060 . . . . . . 51 R CD . 16779 1 539 . 1 1 51 51 ARG CG C 13 28.329 0.027 . . . . . . 51 R CG . 16779 1 540 . 1 1 51 51 ARG N N 15 118.860 0.027 . . . . . . 51 R N . 16779 1 541 . 1 1 51 51 ARG NE N 15 113.521 0.023 . . . . . . 51 R NE . 16779 1 542 . 1 1 52 52 TYR H H 1 8.833 0.003 . . . . . . 52 Y HN . 16779 1 543 . 1 1 52 52 TYR HA H 1 4.925 0.009 . . . . . . 52 Y HA . 16779 1 544 . 1 1 52 52 TYR HB2 H 1 2.218 0.006 . . . . . . 52 Y HB2 . 16779 1 545 . 1 1 52 52 TYR HB3 H 1 2.285 0.010 . . . . . . 52 Y HB3 . 16779 1 546 . 1 1 52 52 TYR HD1 H 1 6.385 0.006 . . . . . . 52 Y QD . 16779 1 547 . 1 1 52 52 TYR HD2 H 1 6.385 0.006 . . . . . . 52 Y QD . 16779 1 548 . 1 1 52 52 TYR HE1 H 1 6.174 0.004 . . . . . . 52 Y QE . 16779 1 549 . 1 1 52 52 TYR HE2 H 1 6.174 0.004 . . . . . . 52 Y QE . 16779 1 550 . 1 1 52 52 TYR C C 13 170.431 0.005 . . . . . . 52 Y CO . 16779 1 551 . 1 1 52 52 TYR CA C 13 56.141 0.027 . . . . . . 52 Y CA . 16779 1 552 . 1 1 52 52 TYR CB C 13 41.354 0.081 . . . . . . 52 Y CB . 16779 1 553 . 1 1 52 52 TYR N N 15 120.090 0.037 . . . . . . 52 Y N . 16779 1 554 . 1 1 53 53 LEU H H 1 9.173 0.006 . . . . . . 53 L HN . 16779 1 555 . 1 1 53 53 LEU HA H 1 4.536 0.004 . . . . . . 53 L HA . 16779 1 556 . 1 1 53 53 LEU HB2 H 1 1.257 0.006 . . . . . . 53 L HB2 . 16779 1 557 . 1 1 53 53 LEU HB3 H 1 1.542 0.007 . . . . . . 53 L HB3 . 16779 1 558 . 1 1 53 53 LEU HD11 H 1 0.777 0.007 . . . . . . 53 L QD1 . 16779 1 559 . 1 1 53 53 LEU HD12 H 1 0.777 0.007 . . . . . . 53 L QD1 . 16779 1 560 . 1 1 53 53 LEU HD13 H 1 0.777 0.007 . . . . . . 53 L QD1 . 16779 1 561 . 1 1 53 53 LEU HD21 H 1 0.764 0.000 . . . . . . 53 L QD2 . 16779 1 562 . 1 1 53 53 LEU HD22 H 1 0.764 0.000 . . . . . . 53 L QD2 . 16779 1 563 . 1 1 53 53 LEU HD23 H 1 0.764 0.000 . . . . . . 53 L QD2 . 16779 1 564 . 1 1 53 53 LEU HG H 1 1.488 0.009 . . . . . . 53 L HG . 16779 1 565 . 1 1 53 53 LEU C C 13 174.506 0.005 . . . . . . 53 L CO . 16779 1 566 . 1 1 53 53 LEU CA C 13 53.659 0.025 . . . . . . 53 L CA . 16779 1 567 . 1 1 53 53 LEU CB C 13 46.097 0.023 . . . . . . 53 L CB . 16779 1 568 . 1 1 53 53 LEU CD1 C 13 26.076 0.039 . . . . . . 53 L CD1 . 16779 1 569 . 1 1 53 53 LEU CD2 C 13 24.293 0.059 . . . . . . 53 L CD2 . 16779 1 570 . 1 1 53 53 LEU CG C 13 28.046 0.000 . . . . . . 53 L CG . 16779 1 571 . 1 1 53 53 LEU N N 15 120.244 0.026 . . . . . . 53 L N . 16779 1 572 . 1 1 54 54 LEU H H 1 8.047 0.004 . . . . . . 54 L HN . 16779 1 573 . 1 1 54 54 LEU HA H 1 5.147 0.006 . . . . . . 54 L HA . 16779 1 574 . 1 1 54 54 LEU HB2 H 1 1.258 0.005 . . . . . . 54 L HB2 . 16779 1 575 . 1 1 54 54 LEU HB3 H 1 1.784 0.004 . . . . . . 54 L HB3 . 16779 1 576 . 1 1 54 54 LEU HD11 H 1 0.924 0.004 . . . . . . 54 L QD1 . 16779 1 577 . 1 1 54 54 LEU HD12 H 1 0.924 0.004 . . . . . . 54 L QD1 . 16779 1 578 . 1 1 54 54 LEU HD13 H 1 0.924 0.004 . . . . . . 54 L QD1 . 16779 1 579 . 1 1 54 54 LEU HD21 H 1 0.846 0.008 . . . . . . 54 L QD2 . 16779 1 580 . 1 1 54 54 LEU HD22 H 1 0.846 0.008 . . . . . . 54 L QD2 . 16779 1 581 . 1 1 54 54 LEU HD23 H 1 0.846 0.008 . . . . . . 54 L QD2 . 16779 1 582 . 1 1 54 54 LEU HG H 1 1.452 0.008 . . . . . . 54 L HG . 16779 1 583 . 1 1 54 54 LEU C C 13 176.120 0.007 . . . . . . 54 L CO . 16779 1 584 . 1 1 54 54 LEU CA C 13 53.667 0.017 . . . . . . 54 L CA . 16779 1 585 . 1 1 54 54 LEU CB C 13 43.866 0.047 . . . . . . 54 L CB . 16779 1 586 . 1 1 54 54 LEU CD1 C 13 26.374 0.043 . . . . . . 54 L CD1 . 16779 1 587 . 1 1 54 54 LEU CD2 C 13 24.339 0.029 . . . . . . 54 L CD2 . 16779 1 588 . 1 1 54 54 LEU CG C 13 27.809 0.098 . . . . . . 54 L CG . 16779 1 589 . 1 1 54 54 LEU N N 15 124.588 0.031 . . . . . . 54 L N . 16779 1 590 . 1 1 55 55 ILE H H 1 9.090 0.006 . . . . . . 55 I HN . 16779 1 591 . 1 1 55 55 ILE HA H 1 4.341 0.005 . . . . . . 55 I HA . 16779 1 592 . 1 1 55 55 ILE HB H 1 1.733 0.005 . . . . . . 55 I HB . 16779 1 593 . 1 1 55 55 ILE HD11 H 1 0.818 0.007 . . . . . . 55 I QD1 . 16779 1 594 . 1 1 55 55 ILE HD12 H 1 0.818 0.007 . . . . . . 55 I QD1 . 16779 1 595 . 1 1 55 55 ILE HD13 H 1 0.818 0.007 . . . . . . 55 I QD1 . 16779 1 596 . 1 1 55 55 ILE HG12 H 1 1.343 0.005 . . . . . . 55 I HG12 . 16779 1 597 . 1 1 55 55 ILE HG13 H 1 1.074 0.006 . . . . . . 55 I HG13 . 16779 1 598 . 1 1 55 55 ILE HG21 H 1 0.977 0.002 . . . . . . 55 I QG2 . 16779 1 599 . 1 1 55 55 ILE HG22 H 1 0.977 0.002 . . . . . . 55 I QG2 . 16779 1 600 . 1 1 55 55 ILE HG23 H 1 0.977 0.002 . . . . . . 55 I QG2 . 16779 1 601 . 1 1 55 55 ILE C C 13 175.921 0.023 . . . . . . 55 I CO . 16779 1 602 . 1 1 55 55 ILE CA C 13 59.794 0.017 . . . . . . 55 I CA . 16779 1 603 . 1 1 55 55 ILE CB C 13 38.822 0.033 . . . . . . 55 I CB . 16779 1 604 . 1 1 55 55 ILE CD1 C 13 13.827 0.065 . . . . . . 55 I CD1 . 16779 1 605 . 1 1 55 55 ILE CG1 C 13 27.367 0.043 . . . . . . 55 I CG1 . 16779 1 606 . 1 1 55 55 ILE CG2 C 13 17.471 0.067 . . . . . . 55 I CG2 . 16779 1 607 . 1 1 55 55 ILE N N 15 128.180 0.044 . . . . . . 55 I N . 16779 1 608 . 1 1 56 56 ASN H H 1 9.308 0.005 . . . . . . 56 N HN . 16779 1 609 . 1 1 56 56 ASN HA H 1 4.239 0.009 . . . . . . 56 N HA . 16779 1 610 . 1 1 56 56 ASN HB2 H 1 3.095 0.008 . . . . . . 56 N HB2 . 16779 1 611 . 1 1 56 56 ASN HB3 H 1 3.392 0.012 . . . . . . 56 N HB3 . 16779 1 612 . 1 1 56 56 ASN HD21 H 1 7.945 0.006 . . . . . . 56 N HD21 . 16779 1 613 . 1 1 56 56 ASN HD22 H 1 7.048 0.005 . . . . . . 56 N HD22 . 16779 1 614 . 1 1 56 56 ASN C C 13 174.336 0.006 . . . . . . 56 N CO . 16779 1 615 . 1 1 56 56 ASN CA C 13 56.275 0.066 . . . . . . 56 N CA . 16779 1 616 . 1 1 56 56 ASN CB C 13 36.846 0.053 . . . . . . 56 N CB . 16779 1 617 . 1 1 56 56 ASN N N 15 126.373 0.034 . . . . . . 56 N N . 16779 1 618 . 1 1 56 56 ASN ND2 N 15 115.047 0.027 . . . . . . 56 N ND2 . 16779 1 619 . 1 1 57 57 SER H H 1 8.538 0.004 . . . . . . 57 S HN . 16779 1 620 . 1 1 57 57 SER HA H 1 4.598 0.011 . . . . . . 57 S HA . 16779 1 621 . 1 1 57 57 SER HB2 H 1 4.099 0.007 . . . . . . 57 S HB2 . 16779 1 622 . 1 1 57 57 SER HB3 H 1 4.048 0.003 . . . . . . 57 S HB3 . 16779 1 623 . 1 1 57 57 SER C C 13 174.107 0.112 . . . . . . 57 S CO . 16779 1 624 . 1 1 57 57 SER CA C 13 59.058 0.010 . . . . . . 57 S CA . 16779 1 625 . 1 1 57 57 SER CB C 13 63.916 0.034 . . . . . . 57 S CB . 16779 1 626 . 1 1 57 57 SER N N 15 115.833 0.042 . . . . . . 57 S N . 16779 1 627 . 1 1 58 58 ASP H H 1 8.572 0.004 . . . . . . 58 D HN . 16779 1 628 . 1 1 58 58 ASP HA H 1 4.880 0.009 . . . . . . 58 D HA . 16779 1 629 . 1 1 58 58 ASP HB2 H 1 2.836 0.004 . . . . . . 58 D HB2 . 16779 1 630 . 1 1 58 58 ASP HB3 H 1 2.112 0.007 . . . . . . 58 D HB3 . 16779 1 631 . 1 1 58 58 ASP C C 13 173.207 0.006 . . . . . . 58 D CO . 16779 1 632 . 1 1 58 58 ASP CA C 13 54.750 0.029 . . . . . . 58 D CA . 16779 1 633 . 1 1 58 58 ASP CB C 13 43.018 0.052 . . . . . . 58 D CB . 16779 1 634 . 1 1 58 58 ASP N N 15 124.249 0.037 . . . . . . 58 D N . 16779 1 635 . 1 1 59 59 ILE H H 1 8.197 0.004 . . . . . . 59 I HN . 16779 1 636 . 1 1 59 59 ILE HA H 1 4.485 0.034 . . . . . . 59 I HA . 16779 1 637 . 1 1 59 59 ILE HB H 1 1.534 0.005 . . . . . . 59 I HB . 16779 1 638 . 1 1 59 59 ILE HD11 H 1 0.122 0.006 . . . . . . 59 I QD1 . 16779 1 639 . 1 1 59 59 ILE HD12 H 1 0.122 0.006 . . . . . . 59 I QD1 . 16779 1 640 . 1 1 59 59 ILE HD13 H 1 0.122 0.006 . . . . . . 59 I QD1 . 16779 1 641 . 1 1 59 59 ILE HG12 H 1 1.031 0.006 . . . . . . 59 I HG12 . 16779 1 642 . 1 1 59 59 ILE HG13 H 1 0.805 0.010 . . . . . . 59 I HG13 . 16779 1 643 . 1 1 59 59 ILE HG21 H 1 0.016 0.008 . . . . . . 59 I QG2 . 16779 1 644 . 1 1 59 59 ILE HG22 H 1 0.016 0.008 . . . . . . 59 I QG2 . 16779 1 645 . 1 1 59 59 ILE HG23 H 1 0.016 0.008 . . . . . . 59 I QG2 . 16779 1 646 . 1 1 59 59 ILE C C 13 174.827 0.000 . . . . . . 59 I CO . 16779 1 647 . 1 1 59 59 ILE CA C 13 59.305 0.030 . . . . . . 59 I CA . 16779 1 648 . 1 1 59 59 ILE CB C 13 37.838 0.042 . . . . . . 59 I CB . 16779 1 649 . 1 1 59 59 ILE CD1 C 13 13.579 0.111 . . . . . . 59 I CD1 . 16779 1 650 . 1 1 59 59 ILE CG1 C 13 25.950 0.000 . . . . . . 59 I CG1 . 16779 1 651 . 1 1 59 59 ILE CG2 C 13 18.767 0.047 . . . . . . 59 I CG2 . 16779 1 652 . 1 1 59 59 ILE N N 15 122.247 0.049 . . . . . . 59 I N . 16779 1 653 . 1 1 60 60 VAL H H 1 8.781 0.005 . . . . . . 60 V HN . 16779 1 654 . 1 1 60 60 VAL HA H 1 5.010 0.008 . . . . . . 60 V HA . 16779 1 655 . 1 1 60 60 VAL HB H 1 1.554 0.005 . . . . . . 60 V HB . 16779 1 656 . 1 1 60 60 VAL HG11 H 1 0.742 0.004 . . . . . . 60 V QG1 . 16779 1 657 . 1 1 60 60 VAL HG12 H 1 0.742 0.004 . . . . . . 60 V QG1 . 16779 1 658 . 1 1 60 60 VAL HG13 H 1 0.742 0.004 . . . . . . 60 V QG1 . 16779 1 659 . 1 1 60 60 VAL HG21 H 1 -0.108 0.002 . . . . . . 60 V QG2 . 16779 1 660 . 1 1 60 60 VAL HG22 H 1 -0.108 0.002 . . . . . . 60 V QG2 . 16779 1 661 . 1 1 60 60 VAL HG23 H 1 -0.108 0.002 . . . . . . 60 V QG2 . 16779 1 662 . 1 1 60 60 VAL C C 13 175.485 0.024 . . . . . . 60 V CO . 16779 1 663 . 1 1 60 60 VAL CA C 13 60.133 0.015 . . . . . . 60 V CA . 16779 1 664 . 1 1 60 60 VAL CB C 13 35.292 0.021 . . . . . . 60 V CB . 16779 1 665 . 1 1 60 60 VAL CG1 C 13 21.892 0.000 . . . . . . 60 V CG1 . 16779 1 666 . 1 1 60 60 VAL CG2 C 13 19.925 0.050 . . . . . . 60 V CG2 . 16779 1 667 . 1 1 60 60 VAL N N 15 125.708 0.044 . . . . . . 60 V N . 16779 1 668 . 1 1 61 61 CYS H H 1 10.033 0.005 . . . . . . 61 C HN . 16779 1 669 . 1 1 61 61 CYS HA H 1 4.893 0.008 . . . . . . 61 C HA . 16779 1 670 . 1 1 61 61 CYS HB2 H 1 3.792 0.004 . . . . . . 61 C HB2 . 16779 1 671 . 1 1 61 61 CYS HB3 H 1 2.937 0.006 . . . . . . 61 C HB3 . 16779 1 672 . 1 1 61 61 CYS C C 13 175.092 0.029 . . . . . . 61 C CO . 16779 1 673 . 1 1 61 61 CYS CA C 13 58.397 0.024 . . . . . . 61 C CA . 16779 1 674 . 1 1 61 61 CYS CB C 13 30.453 0.014 . . . . . . 61 C CB . 16779 1 675 . 1 1 61 61 CYS N N 15 129.142 0.028 . . . . . . 61 C N . 16779 1 676 . 1 1 62 62 GLU H H 1 7.891 0.007 . . . . . . 62 E HN . 16779 1 677 . 1 1 62 62 GLU HA H 1 3.826 0.004 . . . . . . 62 E HA . 16779 1 678 . 1 1 62 62 GLU HB2 H 1 1.872 0.007 . . . . . . 62 E HB2 . 16779 1 679 . 1 1 62 62 GLU HB3 H 1 2.064 0.003 . . . . . . 62 E HB3 . 16779 1 680 . 1 1 62 62 GLU HG2 H 1 2.210 0.004 . . . . . . 62 E HG2 . 16779 1 681 . 1 1 62 62 GLU HG3 H 1 2.282 0.007 . . . . . . 62 E HG3 . 16779 1 682 . 1 1 62 62 GLU C C 13 178.061 0.027 . . . . . . 62 E CO . 16779 1 683 . 1 1 62 62 GLU CA C 13 59.585 0.012 . . . . . . 62 E CA . 16779 1 684 . 1 1 62 62 GLU CB C 13 30.247 0.061 . . . . . . 62 E CB . 16779 1 685 . 1 1 62 62 GLU CG C 13 36.532 0.004 . . . . . . 62 E CG . 16779 1 686 . 1 1 62 62 GLU N N 15 119.035 0.039 . . . . . . 62 E N . 16779 1 687 . 1 1 63 63 GLN H H 1 8.317 0.004 . . . . . . 63 Q HN . 16779 1 688 . 1 1 63 63 GLN HA H 1 4.175 0.003 . . . . . . 63 Q HA . 16779 1 689 . 1 1 63 63 GLN HB2 H 1 2.138 0.004 . . . . . . 63 Q HB2 . 16779 1 690 . 1 1 63 63 GLN HB3 H 1 2.271 0.006 . . . . . . 63 Q HB3 . 16779 1 691 . 1 1 63 63 GLN HE21 H 1 7.652 0.004 . . . . . . 63 Q HE21 . 16779 1 692 . 1 1 63 63 GLN HE22 H 1 6.906 0.006 . . . . . . 63 Q HE22 . 16779 1 693 . 1 1 63 63 GLN HG2 H 1 2.437 0.007 . . . . . . 63 Q HG2 . 16779 1 694 . 1 1 63 63 GLN HG3 H 1 2.556 0.005 . . . . . . 63 Q HG3 . 16779 1 695 . 1 1 63 63 GLN C C 13 177.024 0.001 . . . . . . 63 Q CO . 16779 1 696 . 1 1 63 63 GLN CA C 13 58.851 0.028 . . . . . . 63 Q CA . 16779 1 697 . 1 1 63 63 GLN CB C 13 28.650 0.043 . . . . . . 63 Q CB . 16779 1 698 . 1 1 63 63 GLN CG C 13 34.784 0.027 . . . . . . 63 Q CG . 16779 1 699 . 1 1 63 63 GLN N N 15 117.349 0.036 . . . . . . 63 Q N . 16779 1 700 . 1 1 63 63 GLN NE2 N 15 113.063 0.050 . . . . . . 63 Q NE2 . 16779 1 701 . 1 1 64 64 ASP H H 1 8.063 0.006 . . . . . . 64 D HN . 16779 1 702 . 1 1 64 64 ASP HA H 1 5.113 0.006 . . . . . . 64 D HA . 16779 1 703 . 1 1 64 64 ASP HB2 H 1 2.792 0.005 . . . . . . 64 D HB2 . 16779 1 704 . 1 1 64 64 ASP HB3 H 1 2.933 0.004 . . . . . . 64 D HB3 . 16779 1 705 . 1 1 64 64 ASP C C 13 176.589 0.117 . . . . . . 64 D CO . 16779 1 706 . 1 1 64 64 ASP CA C 13 55.529 0.045 . . . . . . 64 D CA . 16779 1 707 . 1 1 64 64 ASP CB C 13 43.477 0.026 . . . . . . 64 D CB . 16779 1 708 . 1 1 64 64 ASP N N 15 119.286 0.026 . . . . . . 64 D N . 16779 1 709 . 1 1 65 65 ILE H H 1 7.395 0.004 . . . . . . 65 I HN . 16779 1 710 . 1 1 65 65 ILE HA H 1 3.707 0.007 . . . . . . 65 I HA . 16779 1 711 . 1 1 65 65 ILE HB H 1 1.776 0.007 . . . . . . 65 I HB . 16779 1 712 . 1 1 65 65 ILE HD11 H 1 0.862 0.004 . . . . . . 65 I QD1 . 16779 1 713 . 1 1 65 65 ILE HD12 H 1 0.862 0.004 . . . . . . 65 I QD1 . 16779 1 714 . 1 1 65 65 ILE HD13 H 1 0.862 0.004 . . . . . . 65 I QD1 . 16779 1 715 . 1 1 65 65 ILE HG21 H 1 1.028 0.006 . . . . . . 65 I QG2 . 16779 1 716 . 1 1 65 65 ILE HG22 H 1 1.028 0.006 . . . . . . 65 I QG2 . 16779 1 717 . 1 1 65 65 ILE HG23 H 1 1.028 0.006 . . . . . . 65 I QG2 . 16779 1 718 . 1 1 65 65 ILE C C 13 177.419 0.007 . . . . . . 65 I CO . 16779 1 719 . 1 1 65 65 ILE CA C 13 65.520 0.017 . . . . . . 65 I CA . 16779 1 720 . 1 1 65 65 ILE CB C 13 38.526 0.034 . . . . . . 65 I CB . 16779 1 721 . 1 1 65 65 ILE CD1 C 13 14.994 0.064 . . . . . . 65 I CD1 . 16779 1 722 . 1 1 65 65 ILE CG1 C 13 28.513 0.000 . . . . . . 65 I CG1 . 16779 1 723 . 1 1 65 65 ILE CG2 C 13 17.689 0.000 . . . . . . 65 I CG2 . 16779 1 724 . 1 1 65 65 ILE N N 15 120.768 0.034 . . . . . . 65 I N . 16779 1 725 . 1 1 66 66 TYR H H 1 8.585 0.003 . . . . . . 66 Y HN . 16779 1 726 . 1 1 66 66 TYR HA H 1 4.217 0.006 . . . . . . 66 Y HA . 16779 1 727 . 1 1 66 66 TYR HB2 H 1 3.156 0.005 . . . . . . 66 Y HB2 . 16779 1 728 . 1 1 66 66 TYR HB3 H 1 3.170 0.001 . . . . . . 66 Y HB3 . 16779 1 729 . 1 1 66 66 TYR HD1 H 1 7.190 0.033 . . . . . . 66 Y QD . 16779 1 730 . 1 1 66 66 TYR HD2 H 1 7.190 0.033 . . . . . . 66 Y QD . 16779 1 731 . 1 1 66 66 TYR HE1 H 1 6.838 0.002 . . . . . . 66 Y QE . 16779 1 732 . 1 1 66 66 TYR HE2 H 1 6.838 0.002 . . . . . . 66 Y QE . 16779 1 733 . 1 1 66 66 TYR C C 13 178.036 0.022 . . . . . . 66 Y CO . 16779 1 734 . 1 1 66 66 TYR CA C 13 61.909 0.038 . . . . . . 66 Y CA . 16779 1 735 . 1 1 66 66 TYR CB C 13 37.272 0.027 . . . . . . 66 Y CB . 16779 1 736 . 1 1 66 66 TYR CD1 C 13 138.069 0.000 . . . . . . 66 Y CD1 . 16779 1 737 . 1 1 66 66 TYR N N 15 122.741 0.040 . . . . . . 66 Y N . 16779 1 738 . 1 1 67 67 GLU H H 1 8.602 0.004 . . . . . . 67 E HN . 16779 1 739 . 1 1 67 67 GLU HA H 1 3.978 0.005 . . . . . . 67 E HA . 16779 1 740 . 1 1 67 67 GLU HB2 H 1 2.153 0.002 . . . . . . 67 E QB . 16779 1 741 . 1 1 67 67 GLU HB3 H 1 2.153 0.002 . . . . . . 67 E QB . 16779 1 742 . 1 1 67 67 GLU HG2 H 1 2.453 0.006 . . . . . . 67 E QG . 16779 1 743 . 1 1 67 67 GLU HG3 H 1 2.453 0.006 . . . . . . 67 E QG . 16779 1 744 . 1 1 67 67 GLU C C 13 178.752 0.022 . . . . . . 67 E CO . 16779 1 745 . 1 1 67 67 GLU CA C 13 58.874 0.024 . . . . . . 67 E CA . 16779 1 746 . 1 1 67 67 GLU CB C 13 29.421 0.018 . . . . . . 67 E CB . 16779 1 747 . 1 1 67 67 GLU CG C 13 35.933 0.064 . . . . . . 67 E CG . 16779 1 748 . 1 1 67 67 GLU N N 15 119.631 0.030 . . . . . . 67 E N . 16779 1 749 . 1 1 68 68 TRP H H 1 8.555 0.004 . . . . . . 68 W HN . 16779 1 750 . 1 1 68 68 TRP HA H 1 4.227 0.008 . . . . . . 68 W HA . 16779 1 751 . 1 1 68 68 TRP HB2 H 1 3.246 0.006 . . . . . . 68 W HB2 . 16779 1 752 . 1 1 68 68 TRP HB3 H 1 3.359 0.006 . . . . . . 68 W HB3 . 16779 1 753 . 1 1 68 68 TRP HD1 H 1 6.903 0.002 . . . . . . 68 W HD1 . 16779 1 754 . 1 1 68 68 TRP HE1 H 1 10.427 0.004 . . . . . . 68 W HE1 . 16779 1 755 . 1 1 68 68 TRP HE3 H 1 7.503 0.003 . . . . . . 68 W HE3 . 16779 1 756 . 1 1 68 68 TRP HH2 H 1 7.114 0.004 . . . . . . 68 W HH2 . 16779 1 757 . 1 1 68 68 TRP HZ2 H 1 7.407 0.004 . . . . . . 68 W HZ2 . 16779 1 758 . 1 1 68 68 TRP HZ3 H 1 7.002 0.002 . . . . . . 68 W HZ3 . 16779 1 759 . 1 1 68 68 TRP C C 13 178.989 0.022 . . . . . . 68 W CO . 16779 1 760 . 1 1 68 68 TRP CA C 13 60.907 0.014 . . . . . . 68 W CA . 16779 1 761 . 1 1 68 68 TRP CB C 13 30.484 0.054 . . . . . . 68 W CB . 16779 1 762 . 1 1 68 68 TRP CD1 C 13 125.340 0.051 . . . . . . 68 W CD1 . 16779 1 763 . 1 1 68 68 TRP CZ2 C 13 114.493 0.000 . . . . . . 68 W CZ2 . 16779 1 764 . 1 1 68 68 TRP N N 15 119.618 0.039 . . . . . . 68 W N . 16779 1 765 . 1 1 69 69 THR H H 1 8.350 0.007 . . . . . . 69 T HN . 16779 1 766 . 1 1 69 69 THR HA H 1 4.025 0.008 . . . . . . 69 T HA . 16779 1 767 . 1 1 69 69 THR HB H 1 4.290 0.006 . . . . . . 69 T HB . 16779 1 768 . 1 1 69 69 THR HG21 H 1 1.333 0.004 . . . . . . 69 T QG2 . 16779 1 769 . 1 1 69 69 THR HG22 H 1 1.333 0.004 . . . . . . 69 T QG2 . 16779 1 770 . 1 1 69 69 THR HG23 H 1 1.333 0.004 . . . . . . 69 T QG2 . 16779 1 771 . 1 1 69 69 THR C C 13 176.425 0.035 . . . . . . 69 T CO . 16779 1 772 . 1 1 69 69 THR CA C 13 64.719 0.013 . . . . . . 69 T CA . 16779 1 773 . 1 1 69 69 THR CB C 13 69.449 0.036 . . . . . . 69 T CB . 16779 1 774 . 1 1 69 69 THR CG2 C 13 21.932 0.054 . . . . . . 69 T CG2 . 16779 1 775 . 1 1 69 69 THR N N 15 110.636 0.033 . . . . . . 69 T N . 16779 1 776 . 1 1 70 70 LYS H H 1 7.578 0.004 . . . . . . 70 K HN . 16779 1 777 . 1 1 70 70 LYS HA H 1 3.939 0.007 . . . . . . 70 K HA . 16779 1 778 . 1 1 70 70 LYS HB2 H 1 1.757 0.008 . . . . . . 70 K HB2 . 16779 1 779 . 1 1 70 70 LYS HB3 H 1 1.722 0.005 . . . . . . 70 K HB3 . 16779 1 780 . 1 1 70 70 LYS HD2 H 1 1.569 0.008 . . . . . . 70 K HD2 . 16779 1 781 . 1 1 70 70 LYS HE2 H 1 2.842 0.001 . . . . . . 70 K HE2 . 16779 1 782 . 1 1 70 70 LYS HG2 H 1 1.356 0.007 . . . . . . 70 K HG2 . 16779 1 783 . 1 1 70 70 LYS HG3 H 1 1.245 0.007 . . . . . . 70 K HG3 . 16779 1 784 . 1 1 70 70 LYS C C 13 178.236 0.010 . . . . . . 70 K CO . 16779 1 785 . 1 1 70 70 LYS CA C 13 58.957 0.015 . . . . . . 70 K CA . 16779 1 786 . 1 1 70 70 LYS CB C 13 32.204 0.019 . . . . . . 70 K CB . 16779 1 787 . 1 1 70 70 LYS CD C 13 29.353 0.053 . . . . . . 70 K CD . 16779 1 788 . 1 1 70 70 LYS CE C 13 41.993 0.041 . . . . . . 70 K CE . 16779 1 789 . 1 1 70 70 LYS CG C 13 24.554 0.021 . . . . . . 70 K CG . 16779 1 790 . 1 1 70 70 LYS N N 15 122.828 0.024 . . . . . . 70 K N . 16779 1 791 . 1 1 71 71 ILE H H 1 7.506 0.005 . . . . . . 71 I HN . 16779 1 792 . 1 1 71 71 ILE HA H 1 3.960 0.004 . . . . . . 71 I HA . 16779 1 793 . 1 1 71 71 ILE HB H 1 1.648 0.008 . . . . . . 71 I HB . 16779 1 794 . 1 1 71 71 ILE HD11 H 1 0.743 0.005 . . . . . . 71 I QD1 . 16779 1 795 . 1 1 71 71 ILE HD12 H 1 0.743 0.005 . . . . . . 71 I QD1 . 16779 1 796 . 1 1 71 71 ILE HD13 H 1 0.743 0.005 . . . . . . 71 I QD1 . 16779 1 797 . 1 1 71 71 ILE HG12 H 1 1.401 0.007 . . . . . . 71 I HG12 . 16779 1 798 . 1 1 71 71 ILE HG13 H 1 1.145 0.006 . . . . . . 71 I HG13 . 16779 1 799 . 1 1 71 71 ILE HG21 H 1 0.728 0.008 . . . . . . 71 I QG2 . 16779 1 800 . 1 1 71 71 ILE HG22 H 1 0.728 0.008 . . . . . . 71 I QG2 . 16779 1 801 . 1 1 71 71 ILE HG23 H 1 0.728 0.008 . . . . . . 71 I QG2 . 16779 1 802 . 1 1 71 71 ILE C C 13 176.820 0.024 . . . . . . 71 I CO . 16779 1 803 . 1 1 71 71 ILE CA C 13 62.485 0.061 . . . . . . 71 I CA . 16779 1 804 . 1 1 71 71 ILE CB C 13 38.591 0.046 . . . . . . 71 I CB . 16779 1 805 . 1 1 71 71 ILE CD1 C 13 12.787 0.097 . . . . . . 71 I CD1 . 16779 1 806 . 1 1 71 71 ILE CG1 C 13 27.651 0.009 . . . . . . 71 I CG1 . 16779 1 807 . 1 1 71 71 ILE CG2 C 13 17.277 0.100 . . . . . . 71 I CG2 . 16779 1 808 . 1 1 71 71 ILE N N 15 116.695 0.032 . . . . . . 71 I N . 16779 1 809 . 1 1 72 72 ASN H H 1 7.907 0.006 . . . . . . 72 N HN . 16779 1 810 . 1 1 72 72 ASN HA H 1 4.602 0.006 . . . . . . 72 N HA . 16779 1 811 . 1 1 72 72 ASN HB2 H 1 2.012 0.007 . . . . . . 72 N HB2 . 16779 1 812 . 1 1 72 72 ASN HB3 H 1 2.472 0.005 . . . . . . 72 N HB3 . 16779 1 813 . 1 1 72 72 ASN HD21 H 1 6.135 0.007 . . . . . . 72 N HD21 . 16779 1 814 . 1 1 72 72 ASN HD22 H 1 6.012 0.006 . . . . . . 72 N HD22 . 16779 1 815 . 1 1 72 72 ASN C C 13 175.609 0.025 . . . . . . 72 N CO . 16779 1 816 . 1 1 72 72 ASN CA C 13 53.913 0.006 . . . . . . 72 N CA . 16779 1 817 . 1 1 72 72 ASN CB C 13 39.264 0.052 . . . . . . 72 N CB . 16779 1 818 . 1 1 72 72 ASN N N 15 117.858 0.049 . . . . . . 72 N N . 16779 1 819 . 1 1 72 72 ASN ND2 N 15 113.545 0.025 . . . . . . 72 N ND2 . 16779 1 820 . 1 1 73 73 GLY H H 1 7.958 0.003 . . . . . . 73 G HN . 16779 1 821 . 1 1 73 73 GLY HA2 H 1 4.058 0.009 . . . . . . 73 G HA1 . 16779 1 822 . 1 1 73 73 GLY HA3 H 1 3.922 0.010 . . . . . . 73 G HA2 . 16779 1 823 . 1 1 73 73 GLY C C 13 174.491 0.000 . . . . . . 73 G CO . 16779 1 824 . 1 1 73 73 GLY CA C 13 45.687 0.000 . . . . . . 73 G CA . 16779 1 825 . 1 1 73 73 GLY N N 15 109.031 0.025 . . . . . . 73 G N . 16779 1 826 . 1 1 82 82 GLY HA2 H 1 3.970 0.001 . . . . . . 82 G HA1 . 16779 1 827 . 1 1 82 82 GLY HA3 H 1 4.012 0.001 . . . . . . 82 G HA2 . 16779 1 828 . 1 1 82 82 GLY C C 13 174.406 0.014 . . . . . . 82 G CO . 16779 1 829 . 1 1 82 82 GLY CA C 13 45.596 0.000 . . . . . . 82 G CA . 16779 1 830 . 1 1 83 83 GLY H H 1 8.147 0.003 . . . . . . 83 G HN . 16779 1 831 . 1 1 83 83 GLY HA2 H 1 3.923 0.010 . . . . . . 83 G HA1 . 16779 1 832 . 1 1 83 83 GLY HA3 H 1 4.037 0.008 . . . . . . 83 G HA2 . 16779 1 833 . 1 1 83 83 GLY C C 13 173.080 0.005 . . . . . . 83 G CO . 16779 1 834 . 1 1 83 83 GLY CA C 13 45.059 0.028 . . . . . . 83 G CA . 16779 1 835 . 1 1 83 83 GLY N N 15 108.266 0.031 . . . . . . 83 G N . 16779 1 836 . 1 1 84 84 ASP H H 1 8.161 0.002 . . . . . . 84 D HN . 16779 1 837 . 1 1 84 84 ASP HA H 1 4.713 0.006 . . . . . . 84 D HA . 16779 1 838 . 1 1 84 84 ASP HB2 H 1 2.483 0.005 . . . . . . 84 D HB2 . 16779 1 839 . 1 1 84 84 ASP HB3 H 1 2.640 0.005 . . . . . . 84 D HB3 . 16779 1 840 . 1 1 84 84 ASP C C 13 174.974 0.005 . . . . . . 84 D CO . 16779 1 841 . 1 1 84 84 ASP CA C 13 53.816 0.018 . . . . . . 84 D CA . 16779 1 842 . 1 1 84 84 ASP CB C 13 41.966 0.023 . . . . . . 84 D CB . 16779 1 843 . 1 1 84 84 ASP N N 15 120.379 0.027 . . . . . . 84 D N . 16779 1 844 . 1 1 85 85 VAL H H 1 8.075 0.004 . . . . . . 85 V HN . 16779 1 845 . 1 1 85 85 VAL HA H 1 3.998 0.006 . . . . . . 85 V HA . 16779 1 846 . 1 1 85 85 VAL HB H 1 1.881 0.005 . . . . . . 85 V HB . 16779 1 847 . 1 1 85 85 VAL HG11 H 1 0.805 0.007 . . . . . . 85 V QG1 . 16779 1 848 . 1 1 85 85 VAL HG12 H 1 0.805 0.007 . . . . . . 85 V QG1 . 16779 1 849 . 1 1 85 85 VAL HG13 H 1 0.805 0.007 . . . . . . 85 V QG1 . 16779 1 850 . 1 1 85 85 VAL HG21 H 1 0.885 0.003 . . . . . . 85 V QG2 . 16779 1 851 . 1 1 85 85 VAL HG22 H 1 0.885 0.003 . . . . . . 85 V QG2 . 16779 1 852 . 1 1 85 85 VAL HG23 H 1 0.885 0.003 . . . . . . 85 V QG2 . 16779 1 853 . 1 1 85 85 VAL C C 13 175.655 0.011 . . . . . . 85 V CO . 16779 1 854 . 1 1 85 85 VAL CA C 13 63.021 0.021 . . . . . . 85 V CA . 16779 1 855 . 1 1 85 85 VAL CB C 13 31.920 0.065 . . . . . . 85 V CB . 16779 1 856 . 1 1 85 85 VAL CG1 C 13 21.669 0.003 . . . . . . 85 V CG1 . 16779 1 857 . 1 1 85 85 VAL N N 15 121.814 0.027 . . . . . . 85 V N . 16779 1 858 . 1 1 86 86 MET H H 1 8.724 0.006 . . . . . . 86 M HN . 16779 1 859 . 1 1 86 86 MET HA H 1 4.467 0.008 . . . . . . 86 M HA . 16779 1 860 . 1 1 86 86 MET HB2 H 1 0.532 0.006 . . . . . . 86 M HB2 . 16779 1 861 . 1 1 86 86 MET HB3 H 1 1.610 0.004 . . . . . . 86 M HB3 . 16779 1 862 . 1 1 86 86 MET HG2 H 1 2.268 0.005 . . . . . . 86 M HG2 . 16779 1 863 . 1 1 86 86 MET HG3 H 1 2.320 0.004 . . . . . . 86 M HG3 . 16779 1 864 . 1 1 86 86 MET C C 13 173.413 0.005 . . . . . . 86 M CO . 16779 1 865 . 1 1 86 86 MET CA C 13 53.858 0.014 . . . . . . 86 M CA . 16779 1 866 . 1 1 86 86 MET CB C 13 35.018 0.042 . . . . . . 86 M CB . 16779 1 867 . 1 1 86 86 MET CG C 13 32.546 0.020 . . . . . . 86 M CG . 16779 1 868 . 1 1 86 86 MET N N 15 128.165 0.046 . . . . . . 86 M N . 16779 1 869 . 1 1 87 87 VAL H H 1 8.037 0.004 . . . . . . 87 V HN . 16779 1 870 . 1 1 87 87 VAL HA H 1 4.829 0.004 . . . . . . 87 V HA . 16779 1 871 . 1 1 87 87 VAL HB H 1 1.782 0.009 . . . . . . 87 V HB . 16779 1 872 . 1 1 87 87 VAL HG11 H 1 0.847 0.003 . . . . . . 87 V QG1 . 16779 1 873 . 1 1 87 87 VAL HG12 H 1 0.847 0.003 . . . . . . 87 V QG1 . 16779 1 874 . 1 1 87 87 VAL HG13 H 1 0.847 0.003 . . . . . . 87 V QG1 . 16779 1 875 . 1 1 87 87 VAL HG21 H 1 0.881 0.005 . . . . . . 87 V QG2 . 16779 1 876 . 1 1 87 87 VAL HG22 H 1 0.881 0.005 . . . . . . 87 V QG2 . 16779 1 877 . 1 1 87 87 VAL HG23 H 1 0.881 0.005 . . . . . . 87 V QG2 . 16779 1 878 . 1 1 87 87 VAL C C 13 177.802 0.005 . . . . . . 87 V CO . 16779 1 879 . 1 1 87 87 VAL CA C 13 60.494 0.002 . . . . . . 87 V CA . 16779 1 880 . 1 1 87 87 VAL CB C 13 34.240 0.069 . . . . . . 87 V CB . 16779 1 881 . 1 1 87 87 VAL CG1 C 13 21.397 0.055 . . . . . . 87 V CG1 . 16779 1 882 . 1 1 87 87 VAL N N 15 117.494 0.035 . . . . . . 87 V N . 16779 1 883 . 1 1 88 88 VAL H H 1 9.453 0.005 . . . . . . 88 V HN . 16779 1 884 . 1 1 88 88 VAL HA H 1 3.682 0.006 . . . . . . 88 V HA . 16779 1 885 . 1 1 88 88 VAL HB H 1 2.293 0.005 . . . . . . 88 V HB . 16779 1 886 . 1 1 88 88 VAL HG11 H 1 0.949 0.006 . . . . . . 88 V QG1 . 16779 1 887 . 1 1 88 88 VAL HG12 H 1 0.949 0.006 . . . . . . 88 V QG1 . 16779 1 888 . 1 1 88 88 VAL HG13 H 1 0.949 0.006 . . . . . . 88 V QG1 . 16779 1 889 . 1 1 88 88 VAL HG21 H 1 0.802 0.007 . . . . . . 88 V QG2 . 16779 1 890 . 1 1 88 88 VAL HG22 H 1 0.802 0.007 . . . . . . 88 V QG2 . 16779 1 891 . 1 1 88 88 VAL HG23 H 1 0.802 0.007 . . . . . . 88 V QG2 . 16779 1 892 . 1 1 88 88 VAL C C 13 176.851 0.013 . . . . . . 88 V CO . 16779 1 893 . 1 1 88 88 VAL CA C 13 65.241 0.012 . . . . . . 88 V CA . 16779 1 894 . 1 1 88 88 VAL CB C 13 31.915 0.070 . . . . . . 88 V CB . 16779 1 895 . 1 1 88 88 VAL CG1 C 13 22.261 0.004 . . . . . . 88 V CG1 . 16779 1 896 . 1 1 88 88 VAL CG2 C 13 24.236 0.012 . . . . . . 88 V CG2 . 16779 1 897 . 1 1 88 88 VAL N N 15 130.803 0.049 . . . . . . 88 V N . 16779 1 898 . 1 1 89 89 GLY H H 1 8.480 0.006 . . . . . . 89 G HN . 16779 1 899 . 1 1 89 89 GLY HA2 H 1 3.761 0.007 . . . . . . 89 G HA1 . 16779 1 900 . 1 1 89 89 GLY HA3 H 1 4.532 0.010 . . . . . . 89 G HA2 . 16779 1 901 . 1 1 89 89 GLY C C 13 171.638 0.031 . . . . . . 89 G CO . 16779 1 902 . 1 1 89 89 GLY CA C 13 43.842 0.031 . . . . . . 89 G CA . 16779 1 903 . 1 1 89 89 GLY N N 15 120.293 0.035 . . . . . . 89 G N . 16779 1 904 . 1 1 90 90 GLU H H 1 8.155 0.002 . . . . . . 90 E HN . 16779 1 905 . 1 1 90 90 GLU HA H 1 4.408 0.007 . . . . . . 90 E HA . 16779 1 906 . 1 1 90 90 GLU C C 13 175.398 0.000 . . . . . . 90 E CO . 16779 1 907 . 1 1 90 90 GLU CA C 13 54.773 0.049 . . . . . . 90 E CA . 16779 1 908 . 1 1 90 90 GLU CB C 13 29.503 0.000 . . . . . . 90 E CB . 16779 1 909 . 1 1 90 90 GLU N N 15 117.537 0.037 . . . . . . 90 E N . 16779 1 910 . 1 1 91 91 PRO HA H 1 4.939 0.006 . . . . . . 91 P HA . 16779 1 911 . 1 1 91 91 PRO HB2 H 1 1.999 0.006 . . . . . . 91 P HB2 . 16779 1 912 . 1 1 91 91 PRO HB3 H 1 2.191 0.003 . . . . . . 91 P HB3 . 16779 1 913 . 1 1 91 91 PRO HD2 H 1 3.779 0.004 . . . . . . 91 P HD2 . 16779 1 914 . 1 1 91 91 PRO HD3 H 1 3.831 0.006 . . . . . . 91 P HD3 . 16779 1 915 . 1 1 91 91 PRO HG2 H 1 2.016 0.011 . . . . . . 91 P HG2 . 16779 1 916 . 1 1 91 91 PRO HG3 H 1 2.042 0.007 . . . . . . 91 P HG3 . 16779 1 917 . 1 1 91 91 PRO C C 13 175.980 0.013 . . . . . . 91 P CO . 16779 1 918 . 1 1 91 91 PRO CA C 13 62.864 0.015 . . . . . . 91 P CA . 16779 1 919 . 1 1 91 91 PRO CB C 13 33.301 0.018 . . . . . . 91 P CB . 16779 1 920 . 1 1 91 91 PRO CD C 13 50.424 0.080 . . . . . . 91 P CD . 16779 1 921 . 1 1 91 91 PRO CG C 13 27.148 0.051 . . . . . . 91 P CG . 16779 1 922 . 1 1 92 92 THR H H 1 8.655 0.005 . . . . . . 92 T HN . 16779 1 923 . 1 1 92 92 THR HA H 1 4.679 0.004 . . . . . . 92 T HA . 16779 1 924 . 1 1 92 92 THR HB H 1 4.038 0.005 . . . . . . 92 T HB . 16779 1 925 . 1 1 92 92 THR HG21 H 1 1.165 0.006 . . . . . . 92 T QG2 . 16779 1 926 . 1 1 92 92 THR HG22 H 1 1.165 0.006 . . . . . . 92 T QG2 . 16779 1 927 . 1 1 92 92 THR HG23 H 1 1.165 0.006 . . . . . . 92 T QG2 . 16779 1 928 . 1 1 92 92 THR C C 13 174.572 0.025 . . . . . . 92 T CO . 16779 1 929 . 1 1 92 92 THR CA C 13 59.587 0.023 . . . . . . 92 T CA . 16779 1 930 . 1 1 92 92 THR CB C 13 72.326 0.035 . . . . . . 92 T CB . 16779 1 931 . 1 1 92 92 THR CG2 C 13 21.740 0.093 . . . . . . 92 T CG2 . 16779 1 932 . 1 1 92 92 THR N N 15 111.431 0.037 . . . . . . 92 T N . 16779 1 933 . 1 1 93 93 LEU H H 1 8.779 0.002 . . . . . . 93 L HN . 16779 1 934 . 1 1 93 93 LEU HA H 1 4.526 0.005 . . . . . . 93 L HA . 16779 1 935 . 1 1 93 93 LEU HB2 H 1 1.523 0.010 . . . . . . 93 L HB2 . 16779 1 936 . 1 1 93 93 LEU HB3 H 1 1.605 0.010 . . . . . . 93 L HB3 . 16779 1 937 . 1 1 93 93 LEU HD11 H 1 0.928 0.002 . . . . . . 93 L QD1 . 16779 1 938 . 1 1 93 93 LEU HD12 H 1 0.928 0.002 . . . . . . 93 L QD1 . 16779 1 939 . 1 1 93 93 LEU HD13 H 1 0.928 0.002 . . . . . . 93 L QD1 . 16779 1 940 . 1 1 93 93 LEU HD21 H 1 0.877 0.002 . . . . . . 93 L QD2 . 16779 1 941 . 1 1 93 93 LEU HD22 H 1 0.877 0.002 . . . . . . 93 L QD2 . 16779 1 942 . 1 1 93 93 LEU HD23 H 1 0.877 0.002 . . . . . . 93 L QD2 . 16779 1 943 . 1 1 93 93 LEU HG H 1 1.690 0.000 . . . . . . 93 L HG . 16779 1 944 . 1 1 93 93 LEU C C 13 178.782 0.014 . . . . . . 93 L CO . 16779 1 945 . 1 1 93 93 LEU CA C 13 55.540 0.036 . . . . . . 93 L CA . 16779 1 946 . 1 1 93 93 LEU CB C 13 42.962 0.018 . . . . . . 93 L CB . 16779 1 947 . 1 1 93 93 LEU CD1 C 13 24.933 0.000 . . . . . . 93 L CD1 . 16779 1 948 . 1 1 93 93 LEU CG C 13 27.161 0.000 . . . . . . 93 L CG . 16779 1 949 . 1 1 93 93 LEU N N 15 127.520 0.044 . . . . . . 93 L N . 16779 1 950 . 1 1 94 94 MET H H 1 8.801 0.004 . . . . . . 94 M HN . 16779 1 951 . 1 1 94 94 MET HA H 1 4.200 0.004 . . . . . . 94 M HA . 16779 1 952 . 1 1 94 94 MET C C 13 177.610 0.000 . . . . . . 94 M CO . 16779 1 953 . 1 1 94 94 MET CA C 13 57.670 0.000 . . . . . . 94 M CA . 16779 1 954 . 1 1 94 94 MET CB C 13 32.976 0.000 . . . . . . 94 M CB . 16779 1 955 . 1 1 94 94 MET N N 15 126.137 0.043 . . . . . . 94 M N . 16779 1 956 . 1 1 95 95 GLY HA2 H 1 3.969 0.001 . . . . . . 95 G HA1 . 16779 1 957 . 1 1 95 95 GLY HA3 H 1 3.926 0.001 . . . . . . 95 G HA2 . 16779 1 958 . 1 1 95 95 GLY C C 13 173.582 0.000 . . . . . . 95 G CO . 16779 1 959 . 1 1 95 95 GLY CA C 13 45.040 0.015 . . . . . . 95 G CA . 16779 1 960 . 1 1 96 96 GLY H H 1 7.931 0.007 . . . . . . 96 G HN . 16779 1 961 . 1 1 96 96 GLY HA2 H 1 3.963 0.018 . . . . . . 96 G HA1 . 16779 1 962 . 1 1 96 96 GLY HA3 H 1 3.903 0.005 . . . . . . 96 G HA2 . 16779 1 963 . 1 1 96 96 GLY C C 13 173.839 0.031 . . . . . . 96 G CO . 16779 1 964 . 1 1 96 96 GLY CA C 13 45.055 0.025 . . . . . . 96 G CA . 16779 1 965 . 1 1 96 96 GLY N N 15 106.580 0.024 . . . . . . 96 G N . 16779 1 966 . 1 1 97 97 GLU H H 1 8.329 0.002 . . . . . . 97 E HN . 16779 1 967 . 1 1 97 97 GLU HA H 1 4.230 0.008 . . . . . . 97 E HA . 16779 1 968 . 1 1 97 97 GLU HB2 H 1 1.781 0.005 . . . . . . 97 E HB2 . 16779 1 969 . 1 1 97 97 GLU HB3 H 1 1.887 0.007 . . . . . . 97 E HB3 . 16779 1 970 . 1 1 97 97 GLU HG2 H 1 2.023 0.009 . . . . . . 97 E HG2 . 16779 1 971 . 1 1 97 97 GLU HG3 H 1 2.074 0.004 . . . . . . 97 E HG3 . 16779 1 972 . 1 1 97 97 GLU C C 13 176.269 0.001 . . . . . . 97 E CO . 16779 1 973 . 1 1 97 97 GLU CA C 13 56.605 0.019 . . . . . . 97 E CA . 16779 1 974 . 1 1 97 97 GLU CB C 13 30.387 0.040 . . . . . . 97 E CB . 16779 1 975 . 1 1 97 97 GLU CG C 13 36.089 0.138 . . . . . . 97 E CG . 16779 1 976 . 1 1 97 97 GLU N N 15 120.027 0.020 . . . . . . 97 E N . 16779 1 977 . 1 1 98 98 PHE H H 1 8.387 0.004 . . . . . . 98 F HN . 16779 1 978 . 1 1 98 98 PHE HA H 1 4.655 0.004 . . . . . . 98 F HA . 16779 1 979 . 1 1 98 98 PHE HB2 H 1 2.961 0.008 . . . . . . 98 F HB2 . 16779 1 980 . 1 1 98 98 PHE HB3 H 1 3.198 0.007 . . . . . . 98 F HB3 . 16779 1 981 . 1 1 98 98 PHE HD1 H 1 7.229 0.007 . . . . . . 98 F QD . 16779 1 982 . 1 1 98 98 PHE HD2 H 1 7.229 0.007 . . . . . . 98 F QD . 16779 1 983 . 1 1 98 98 PHE C C 13 176.175 0.017 . . . . . . 98 F CO . 16779 1 984 . 1 1 98 98 PHE CA C 13 57.808 0.014 . . . . . . 98 F CA . 16779 1 985 . 1 1 98 98 PHE CB C 13 39.609 0.031 . . . . . . 98 F CB . 16779 1 986 . 1 1 98 98 PHE N N 15 120.980 0.032 . . . . . . 98 F N . 16779 1 987 . 1 1 99 99 GLY H H 1 8.427 0.006 . . . . . . 99 G HN . 16779 1 988 . 1 1 99 99 GLY HA2 H 1 3.940 0.015 . . . . . . 99 G HA1 . 16779 1 989 . 1 1 99 99 GLY HA3 H 1 3.976 0.015 . . . . . . 99 G HA2 . 16779 1 990 . 1 1 99 99 GLY C C 13 173.763 0.009 . . . . . . 99 G CO . 16779 1 991 . 1 1 99 99 GLY CA C 13 45.323 0.025 . . . . . . 99 G CA . 16779 1 992 . 1 1 99 99 GLY N N 15 111.065 0.021 . . . . . . 99 G N . 16779 1 993 . 1 1 100 100 ASP H H 1 8.279 0.005 . . . . . . 100 D HN . 16779 1 994 . 1 1 100 100 ASP HA H 1 4.550 0.024 . . . . . . 100 D HA . 16779 1 995 . 1 1 100 100 ASP HB2 H 1 2.625 0.005 . . . . . . 100 D HB2 . 16779 1 996 . 1 1 100 100 ASP HB3 H 1 2.734 0.004 . . . . . . 100 D HB3 . 16779 1 997 . 1 1 100 100 ASP C C 13 176.911 0.000 . . . . . . 100 D CO . 16779 1 998 . 1 1 100 100 ASP CA C 13 54.918 0.032 . . . . . . 100 D CA . 16779 1 999 . 1 1 100 100 ASP CB C 13 41.265 0.034 . . . . . . 100 D CB . 16779 1 1000 . 1 1 100 100 ASP N N 15 120.788 0.044 . . . . . . 100 D N . 16779 1 1001 . 1 1 101 101 GLU H H 1 8.409 0.003 . . . . . . 101 E HN . 16779 1 1002 . 1 1 101 101 GLU HA H 1 4.174 0.011 . . . . . . 101 E HA . 16779 1 1003 . 1 1 101 101 GLU C C 13 176.998 0.000 . . . . . . 101 E CO . 16779 1 1004 . 1 1 101 101 GLU CA C 13 57.544 0.000 . . . . . . 101 E CA . 16779 1 1005 . 1 1 101 101 GLU CB C 13 29.886 0.000 . . . . . . 101 E CB . 16779 1 1006 . 1 1 101 101 GLU N N 15 122.271 0.027 . . . . . . 101 E N . 16779 1 1007 . 1 1 102 102 ASP HA H 1 4.620 0.005 . . . . . . 102 D HA . 16779 1 1008 . 1 1 102 102 ASP HB2 H 1 2.611 0.013 . . . . . . 102 D HB2 . 16779 1 1009 . 1 1 102 102 ASP HB3 H 1 2.723 0.008 . . . . . . 102 D HB3 . 16779 1 1010 . 1 1 102 102 ASP C C 13 176.675 0.000 . . . . . . 102 D CO . 16779 1 1011 . 1 1 102 102 ASP CA C 13 54.610 0.007 . . . . . . 102 D CA . 16779 1 1012 . 1 1 102 102 ASP CB C 13 41.461 0.044 . . . . . . 102 D CB . 16779 1 1013 . 1 1 103 103 GLU H H 1 8.560 0.004 . . . . . . 103 E HN . 16779 1 1014 . 1 1 103 103 GLU HA H 1 4.188 0.018 . . . . . . 103 E HA . 16779 1 1015 . 1 1 103 103 GLU HB2 H 1 1.988 0.020 . . . . . . 103 E HB2 . 16779 1 1016 . 1 1 103 103 GLU HB3 H 1 2.073 0.004 . . . . . . 103 E HB3 . 16779 1 1017 . 1 1 103 103 GLU HG2 H 1 2.245 0.004 . . . . . . 103 E HG2 . 16779 1 1018 . 1 1 103 103 GLU HG3 H 1 2.292 0.008 . . . . . . 103 E HG3 . 16779 1 1019 . 1 1 103 103 GLU C C 13 177.008 0.000 . . . . . . 103 E CO . 16779 1 1020 . 1 1 103 103 GLU CA C 13 57.479 0.066 . . . . . . 103 E CA . 16779 1 1021 . 1 1 103 103 GLU CB C 13 29.980 0.076 . . . . . . 103 E CB . 16779 1 1022 . 1 1 103 103 GLU CG C 13 36.374 0.000 . . . . . . 103 E CG . 16779 1 1023 . 1 1 103 103 GLU N N 15 120.913 0.017 . . . . . . 103 E N . 16779 1 1024 . 1 1 104 104 ARG H H 1 8.240 0.009 . . . . . . 104 R HN . 16779 1 1025 . 1 1 104 104 ARG HA H 1 4.219 0.008 . . . . . . 104 R HA . 16779 1 1026 . 1 1 104 104 ARG HB2 H 1 1.784 0.003 . . . . . . 104 R HB2 . 16779 1 1027 . 1 1 104 104 ARG HB3 H 1 1.820 0.011 . . . . . . 104 R HB3 . 16779 1 1028 . 1 1 104 104 ARG HD2 H 1 3.141 0.003 . . . . . . 104 R HD2 . 16779 1 1029 . 1 1 104 104 ARG HD3 H 1 3.183 0.005 . . . . . . 104 R HD3 . 16779 1 1030 . 1 1 104 104 ARG HG2 H 1 1.605 0.008 . . . . . . 104 R HG2 . 16779 1 1031 . 1 1 104 104 ARG HG3 H 1 1.640 0.009 . . . . . . 104 R HG3 . 16779 1 1032 . 1 1 104 104 ARG C C 13 176.733 0.021 . . . . . . 104 R CO . 16779 1 1033 . 1 1 104 104 ARG CA C 13 56.926 0.017 . . . . . . 104 R CA . 16779 1 1034 . 1 1 104 104 ARG CB C 13 30.398 0.028 . . . . . . 104 R CB . 16779 1 1035 . 1 1 104 104 ARG CD C 13 43.490 0.000 . . . . . . 104 R CD . 16779 1 1036 . 1 1 104 104 ARG CG C 13 27.234 0.000 . . . . . . 104 R CG . 16779 1 1037 . 1 1 104 104 ARG N N 15 120.548 0.037 . . . . . . 104 R N . 16779 1 1038 . 1 1 105 105 LEU H H 1 8.013 0.007 . . . . . . 105 L HN . 16779 1 1039 . 1 1 105 105 LEU HA H 1 4.320 0.011 . . . . . . 105 L HA . 16779 1 1040 . 1 1 105 105 LEU HB2 H 1 1.589 0.004 . . . . . . 105 L HB2 . 16779 1 1041 . 1 1 105 105 LEU HB3 H 1 1.679 0.005 . . . . . . 105 L HB3 . 16779 1 1042 . 1 1 105 105 LEU HD11 H 1 0.917 0.002 . . . . . . 105 L QD1 . 16779 1 1043 . 1 1 105 105 LEU HD12 H 1 0.917 0.002 . . . . . . 105 L QD1 . 16779 1 1044 . 1 1 105 105 LEU HD13 H 1 0.917 0.002 . . . . . . 105 L QD1 . 16779 1 1045 . 1 1 105 105 LEU HD21 H 1 0.848 0.005 . . . . . . 105 L QD2 . 16779 1 1046 . 1 1 105 105 LEU HD22 H 1 0.848 0.005 . . . . . . 105 L QD2 . 16779 1 1047 . 1 1 105 105 LEU HD23 H 1 0.848 0.005 . . . . . . 105 L QD2 . 16779 1 1048 . 1 1 105 105 LEU HG H 1 1.644 0.000 . . . . . . 105 L HG . 16779 1 1049 . 1 1 105 105 LEU C C 13 177.451 0.034 . . . . . . 105 L CO . 16779 1 1050 . 1 1 105 105 LEU CA C 13 55.611 0.012 . . . . . . 105 L CA . 16779 1 1051 . 1 1 105 105 LEU CB C 13 42.166 0.033 . . . . . . 105 L CB . 16779 1 1052 . 1 1 105 105 LEU CD1 C 13 25.033 0.000 . . . . . . 105 L CD1 . 16779 1 1053 . 1 1 105 105 LEU CD2 C 13 23.595 0.000 . . . . . . 105 L CD2 . 16779 1 1054 . 1 1 105 105 LEU CG C 13 27.154 0.000 . . . . . . 105 L CG . 16779 1 1055 . 1 1 105 105 LEU N N 15 121.636 0.047 . . . . . . 105 L N . 16779 1 1056 . 1 1 106 106 ILE H H 1 7.959 0.003 . . . . . . 106 I HN . 16779 1 1057 . 1 1 106 106 ILE HA H 1 4.177 0.019 . . . . . . 106 I HA . 16779 1 1058 . 1 1 106 106 ILE HB H 1 1.890 0.013 . . . . . . 106 I HB . 16779 1 1059 . 1 1 106 106 ILE HD11 H 1 0.858 0.006 . . . . . . 106 I QD1 . 16779 1 1060 . 1 1 106 106 ILE HD12 H 1 0.858 0.006 . . . . . . 106 I QD1 . 16779 1 1061 . 1 1 106 106 ILE HD13 H 1 0.858 0.006 . . . . . . 106 I QD1 . 16779 1 1062 . 1 1 106 106 ILE HG12 H 1 1.478 0.007 . . . . . . 106 I HG12 . 16779 1 1063 . 1 1 106 106 ILE HG13 H 1 1.185 0.010 . . . . . . 106 I HG13 . 16779 1 1064 . 1 1 106 106 ILE HG21 H 1 0.896 0.007 . . . . . . 106 I QG2 . 16779 1 1065 . 1 1 106 106 ILE HG22 H 1 0.896 0.007 . . . . . . 106 I QG2 . 16779 1 1066 . 1 1 106 106 ILE HG23 H 1 0.896 0.007 . . . . . . 106 I QG2 . 16779 1 1067 . 1 1 106 106 ILE C C 13 176.819 0.400 . . . . . . 106 I CO . 16779 1 1068 . 1 1 106 106 ILE CA C 13 61.495 0.167 . . . . . . 106 I CA . 16779 1 1069 . 1 1 106 106 ILE CB C 13 38.584 0.054 . . . . . . 106 I CB . 16779 1 1070 . 1 1 106 106 ILE CD1 C 13 13.225 0.000 . . . . . . 106 I CD1 . 16779 1 1071 . 1 1 106 106 ILE CG1 C 13 27.362 0.082 . . . . . . 106 I CG1 . 16779 1 1072 . 1 1 106 106 ILE CG2 C 13 17.482 0.062 . . . . . . 106 I CG2 . 16779 1 1073 . 1 1 106 106 ILE N N 15 121.193 0.033 . . . . . . 106 I N . 16779 1 1074 . 1 1 107 107 THR H H 1 8.120 0.003 . . . . . . 107 T HN . 16779 1 1075 . 1 1 107 107 THR HA H 1 4.295 0.009 . . . . . . 107 T HA . 16779 1 1076 . 1 1 107 107 THR HB H 1 4.156 0.018 . . . . . . 107 T HB . 16779 1 1077 . 1 1 107 107 THR HG21 H 1 1.203 0.011 . . . . . . 107 T QG2 . 16779 1 1078 . 1 1 107 107 THR HG22 H 1 1.203 0.011 . . . . . . 107 T QG2 . 16779 1 1079 . 1 1 107 107 THR HG23 H 1 1.203 0.011 . . . . . . 107 T QG2 . 16779 1 1080 . 1 1 107 107 THR C C 13 174.489 0.005 . . . . . . 107 T CO . 16779 1 1081 . 1 1 107 107 THR CA C 13 62.381 0.021 . . . . . . 107 T CA . 16779 1 1082 . 1 1 107 107 THR CB C 13 69.671 0.094 . . . . . . 107 T CB . 16779 1 1083 . 1 1 107 107 THR CG2 C 13 21.752 0.066 . . . . . . 107 T CG2 . 16779 1 1084 . 1 1 107 107 THR N N 15 118.168 0.033 . . . . . . 107 T N . 16779 1 1085 . 1 1 108 108 ARG H H 1 8.234 0.004 . . . . . . 108 R HN . 16779 1 1086 . 1 1 108 108 ARG HA H 1 4.366 0.008 . . . . . . 108 R HA . 16779 1 1087 . 1 1 108 108 ARG HB2 H 1 1.771 0.006 . . . . . . 108 R HB2 . 16779 1 1088 . 1 1 108 108 ARG HB3 H 1 1.860 0.005 . . . . . . 108 R HB3 . 16779 1 1089 . 1 1 108 108 ARG HD2 H 1 3.170 0.000 . . . . . . 108 R HD2 . 16779 1 1090 . 1 1 108 108 ARG HD3 H 1 3.180 0.001 . . . . . . 108 R HD3 . 16779 1 1091 . 1 1 108 108 ARG HG2 H 1 1.582 0.007 . . . . . . 108 R HG2 . 16779 1 1092 . 1 1 108 108 ARG HG3 H 1 1.618 0.003 . . . . . . 108 R HG3 . 16779 1 1093 . 1 1 108 108 ARG C C 13 176.204 0.003 . . . . . . 108 R CO . 16779 1 1094 . 1 1 108 108 ARG CA C 13 56.247 0.036 . . . . . . 108 R CA . 16779 1 1095 . 1 1 108 108 ARG CB C 13 30.785 0.022 . . . . . . 108 R CB . 16779 1 1096 . 1 1 108 108 ARG CD C 13 43.489 0.000 . . . . . . 108 R CD . 16779 1 1097 . 1 1 108 108 ARG CG C 13 27.231 0.000 . . . . . . 108 R CG . 16779 1 1098 . 1 1 108 108 ARG N N 15 123.848 0.025 . . . . . . 108 R N . 16779 1 1099 . 1 1 109 109 LEU H H 1 8.286 0.003 . . . . . . 109 L HN . 16779 1 1100 . 1 1 109 109 LEU HA H 1 4.340 0.004 . . . . . . 109 L HA . 16779 1 1101 . 1 1 109 109 LEU HB2 H 1 1.584 0.003 . . . . . . 109 L HB2 . 16779 1 1102 . 1 1 109 109 LEU HB3 H 1 1.683 0.004 . . . . . . 109 L HB3 . 16779 1 1103 . 1 1 109 109 LEU HD11 H 1 0.922 0.002 . . . . . . 109 L QD1 . 16779 1 1104 . 1 1 109 109 LEU HD12 H 1 0.922 0.002 . . . . . . 109 L QD1 . 16779 1 1105 . 1 1 109 109 LEU HD13 H 1 0.922 0.002 . . . . . . 109 L QD1 . 16779 1 1106 . 1 1 109 109 LEU HD21 H 1 0.869 0.003 . . . . . . 109 L QD2 . 16779 1 1107 . 1 1 109 109 LEU HD22 H 1 0.869 0.003 . . . . . . 109 L QD2 . 16779 1 1108 . 1 1 109 109 LEU HD23 H 1 0.869 0.003 . . . . . . 109 L QD2 . 16779 1 1109 . 1 1 109 109 LEU HG H 1 1.631 0.000 . . . . . . 109 L HG . 16779 1 1110 . 1 1 109 109 LEU C C 13 177.561 0.025 . . . . . . 109 L CO . 16779 1 1111 . 1 1 109 109 LEU CA C 13 55.399 0.031 . . . . . . 109 L CA . 16779 1 1112 . 1 1 109 109 LEU CB C 13 42.353 0.035 . . . . . . 109 L CB . 16779 1 1113 . 1 1 109 109 LEU CD1 C 13 24.997 0.000 . . . . . . 109 L CD1 . 16779 1 1114 . 1 1 109 109 LEU CD2 C 13 23.527 0.068 . . . . . . 109 L CD2 . 16779 1 1115 . 1 1 109 109 LEU CG C 13 26.974 0.000 . . . . . . 109 L CG . 16779 1 1116 . 1 1 109 109 LEU N N 15 123.773 0.058 . . . . . . 109 L N . 16779 1 1117 . 1 1 110 110 GLU H H 1 8.444 0.003 . . . . . . 110 E HN . 16779 1 1118 . 1 1 110 110 GLU HA H 1 4.281 0.007 . . . . . . 110 E HA . 16779 1 1119 . 1 1 110 110 GLU HB2 H 1 1.952 0.003 . . . . . . 110 E HB2 . 16779 1 1120 . 1 1 110 110 GLU HB3 H 1 2.063 0.008 . . . . . . 110 E HB3 . 16779 1 1121 . 1 1 110 110 GLU HG2 H 1 2.271 0.001 . . . . . . 110 E HG2 . 16779 1 1122 . 1 1 110 110 GLU HG3 H 1 2.273 0.006 . . . . . . 110 E HG3 . 16779 1 1123 . 1 1 110 110 GLU C C 13 176.348 0.049 . . . . . . 110 E CO . 16779 1 1124 . 1 1 110 110 GLU CA C 13 56.820 0.036 . . . . . . 110 E CA . 16779 1 1125 . 1 1 110 110 GLU CB C 13 30.264 0.040 . . . . . . 110 E CB . 16779 1 1126 . 1 1 110 110 GLU CG C 13 36.320 0.000 . . . . . . 110 E CG . 16779 1 1127 . 1 1 110 110 GLU N N 15 121.395 0.017 . . . . . . 110 E N . 16779 1 1128 . 1 1 111 111 ASN H H 1 8.437 0.004 . . . . . . 111 N HN . 16779 1 1129 . 1 1 111 111 ASN HA H 1 4.774 0.006 . . . . . . 111 N HA . 16779 1 1130 . 1 1 111 111 ASN HB2 H 1 2.786 0.005 . . . . . . 111 N HB2 . 16779 1 1131 . 1 1 111 111 ASN HB3 H 1 2.878 0.007 . . . . . . 111 N HB3 . 16779 1 1132 . 1 1 111 111 ASN HD21 H 1 7.611 0.003 . . . . . . 111 N HD21 . 16779 1 1133 . 1 1 111 111 ASN HD22 H 1 6.905 0.003 . . . . . . 111 N HD22 . 16779 1 1134 . 1 1 111 111 ASN C C 13 175.532 0.013 . . . . . . 111 N CO . 16779 1 1135 . 1 1 111 111 ASN CA C 13 53.458 0.031 . . . . . . 111 N CA . 16779 1 1136 . 1 1 111 111 ASN CB C 13 38.892 0.022 . . . . . . 111 N CB . 16779 1 1137 . 1 1 111 111 ASN N N 15 119.563 0.013 . . . . . . 111 N N . 16779 1 1138 . 1 1 111 111 ASN ND2 N 15 112.862 0.019 . . . . . . 111 N ND2 . 16779 1 1139 . 1 1 112 112 THR H H 1 8.116 0.003 . . . . . . 112 T HN . 16779 1 1140 . 1 1 112 112 THR HA H 1 4.294 0.005 . . . . . . 112 T HA . 16779 1 1141 . 1 1 112 112 THR HB H 1 4.216 0.012 . . . . . . 112 T HB . 16779 1 1142 . 1 1 112 112 THR HG21 H 1 1.156 0.006 . . . . . . 112 T HG2 . 16779 1 1143 . 1 1 112 112 THR HG22 H 1 1.156 0.006 . . . . . . 112 T HG2 . 16779 1 1144 . 1 1 112 112 THR HG23 H 1 1.156 0.006 . . . . . . 112 T HG2 . 16779 1 1145 . 1 1 112 112 THR C C 13 174.553 0.039 . . . . . . 112 T CO . 16779 1 1146 . 1 1 112 112 THR CA C 13 62.206 0.029 . . . . . . 112 T CA . 16779 1 1147 . 1 1 112 112 THR CB C 13 69.808 0.086 . . . . . . 112 T CB . 16779 1 1148 . 1 1 112 112 THR CG2 C 13 21.780 0.000 . . . . . . 112 T CG2 . 16779 1 1149 . 1 1 112 112 THR N N 15 114.382 0.019 . . . . . . 112 T N . 16779 1 1150 . 1 1 113 113 GLN H H 1 8.316 0.002 . . . . . . 113 Q HN . 16779 1 1151 . 1 1 113 113 GLN HA H 1 4.295 0.006 . . . . . . 113 Q HA . 16779 1 1152 . 1 1 113 113 GLN HB2 H 1 1.925 0.008 . . . . . . 113 Q HB2 . 16779 1 1153 . 1 1 113 113 GLN HB3 H 1 2.006 0.001 . . . . . . 113 Q HB3 . 16779 1 1154 . 1 1 113 113 GLN HE21 H 1 7.500 0.008 . . . . . . 113 Q HE21 . 16779 1 1155 . 1 1 113 113 GLN HE22 H 1 6.819 0.003 . . . . . . 113 Q HE22 . 16779 1 1156 . 1 1 113 113 GLN HG2 H 1 2.208 0.004 . . . . . . 113 Q HG2 . 16779 1 1157 . 1 1 113 113 GLN HG3 H 1 2.261 0.000 . . . . . . 113 Q HG3 . 16779 1 1158 . 1 1 113 113 GLN C C 13 175.651 0.004 . . . . . . 113 Q CO . 16779 1 1159 . 1 1 113 113 GLN CA C 13 55.974 0.052 . . . . . . 113 Q CA . 16779 1 1160 . 1 1 113 113 GLN CB C 13 29.315 0.039 . . . . . . 113 Q CB . 16779 1 1161 . 1 1 113 113 GLN CG C 13 33.714 0.000 . . . . . . 113 Q CG . 16779 1 1162 . 1 1 113 113 GLN N N 15 122.341 0.023 . . . . . . 113 Q N . 16779 1 1163 . 1 1 113 113 GLN NE2 N 15 112.761 0.019 . . . . . . 113 Q NE2 . 16779 1 1164 . 1 1 114 114 PHE H H 1 8.189 0.003 . . . . . . 114 F HN . 16779 1 1165 . 1 1 114 114 PHE HA H 1 4.611 0.011 . . . . . . 114 F HA . 16779 1 1166 . 1 1 114 114 PHE HB2 H 1 2.998 0.006 . . . . . . 114 F HB2 . 16779 1 1167 . 1 1 114 114 PHE HB3 H 1 3.161 0.009 . . . . . . 114 F HB3 . 16779 1 1168 . 1 1 114 114 PHE C C 13 175.380 0.037 . . . . . . 114 F CO . 16779 1 1169 . 1 1 114 114 PHE CA C 13 57.849 0.029 . . . . . . 114 F CA . 16779 1 1170 . 1 1 114 114 PHE CB C 13 39.638 0.008 . . . . . . 114 F CB . 16779 1 1171 . 1 1 114 114 PHE N N 15 121.625 0.036 . . . . . . 114 F N . 16779 1 1172 . 1 1 115 115 ASP H H 1 8.240 0.002 . . . . . . 115 D HN . 16779 1 1173 . 1 1 115 115 ASP HA H 1 4.556 0.003 . . . . . . 115 D HA . 16779 1 1174 . 1 1 115 115 ASP HB2 H 1 2.582 0.005 . . . . . . 115 D HB2 . 16779 1 1175 . 1 1 115 115 ASP HB3 H 1 2.671 0.005 . . . . . . 115 D HB3 . 16779 1 1176 . 1 1 115 115 ASP C C 13 175.864 0.052 . . . . . . 115 D CO . 16779 1 1177 . 1 1 115 115 ASP CA C 13 54.199 0.035 . . . . . . 115 D CA . 16779 1 1178 . 1 1 115 115 ASP CB C 13 41.313 0.014 . . . . . . 115 D CB . 16779 1 1179 . 1 1 115 115 ASP N N 15 122.638 0.026 . . . . . . 115 D N . 16779 1 1180 . 1 1 116 116 ALA H H 1 8.174 0.002 . . . . . . 116 A HN . 16779 1 1181 . 1 1 116 116 ALA HA H 1 4.232 0.007 . . . . . . 116 A HA . 16779 1 1182 . 1 1 116 116 ALA HB1 H 1 1.399 0.007 . . . . . . 116 A QB . 16779 1 1183 . 1 1 116 116 ALA HB2 H 1 1.399 0.007 . . . . . . 116 A QB . 16779 1 1184 . 1 1 116 116 ALA HB3 H 1 1.399 0.007 . . . . . . 116 A QB . 16779 1 1185 . 1 1 116 116 ALA C C 13 177.731 0.005 . . . . . . 116 A CO . 16779 1 1186 . 1 1 116 116 ALA CA C 13 52.817 0.041 . . . . . . 116 A CA . 16779 1 1187 . 1 1 116 116 ALA CB C 13 19.219 0.086 . . . . . . 116 A CB . 16779 1 1188 . 1 1 116 116 ALA N N 15 125.159 0.038 . . . . . . 116 A N . 16779 1 1189 . 1 1 117 117 ALA H H 1 8.261 0.002 . . . . . . 117 A HN . 16779 1 1190 . 1 1 117 117 ALA HA H 1 4.298 0.005 . . . . . . 117 A HA . 16779 1 1191 . 1 1 117 117 ALA HB1 H 1 1.391 0.006 . . . . . . 117 A QB . 16779 1 1192 . 1 1 117 117 ALA HB2 H 1 1.391 0.006 . . . . . . 117 A QB . 16779 1 1193 . 1 1 117 117 ALA HB3 H 1 1.391 0.006 . . . . . . 117 A QB . 16779 1 1194 . 1 1 117 117 ALA C C 13 177.740 0.001 . . . . . . 117 A CO . 16779 1 1195 . 1 1 117 117 ALA CA C 13 52.737 0.067 . . . . . . 117 A CA . 16779 1 1196 . 1 1 117 117 ALA CB C 13 19.037 0.031 . . . . . . 117 A CB . 16779 1 1197 . 1 1 117 117 ALA N N 15 122.762 0.034 . . . . . . 117 A N . 16779 1 1198 . 1 1 118 118 ASN H H 1 8.224 0.003 . . . . . . 118 N HN . 16779 1 1199 . 1 1 118 118 ASN HA H 1 4.713 0.006 . . . . . . 118 N HA . 16779 1 1200 . 1 1 118 118 ASN HB2 H 1 2.763 0.004 . . . . . . 118 N HB2 . 16779 1 1201 . 1 1 118 118 ASN HB3 H 1 2.844 0.007 . . . . . . 118 N HB3 . 16779 1 1202 . 1 1 118 118 ASN HD21 H 1 7.647 0.003 . . . . . . 118 N HD21 . 16779 1 1203 . 1 1 118 118 ASN HD22 H 1 6.916 0.000 . . . . . . 118 N HD22 . 16779 1 1204 . 1 1 118 118 ASN C C 13 175.744 0.015 . . . . . . 118 N CO . 16779 1 1205 . 1 1 118 118 ASN CA C 13 53.359 0.014 . . . . . . 118 N CA . 16779 1 1206 . 1 1 118 118 ASN CB C 13 39.168 0.008 . . . . . . 118 N CB . 16779 1 1207 . 1 1 118 118 ASN N N 15 117.645 0.031 . . . . . . 118 N N . 16779 1 1208 . 1 1 118 118 ASN ND2 N 15 113.417 0.001 . . . . . . 118 N ND2 . 16779 1 1209 . 1 1 119 119 GLY H H 1 8.343 0.002 . . . . . . 119 G HN . 16779 1 1210 . 1 1 119 119 GLY HA2 H 1 3.994 0.004 . . . . . . 119 G HA1 . 16779 1 1211 . 1 1 119 119 GLY HA3 H 1 3.955 0.009 . . . . . . 119 G HA2 . 16779 1 1212 . 1 1 119 119 GLY C C 13 174.079 0.000 . . . . . . 119 G CO . 16779 1 1213 . 1 1 119 119 GLY CA C 13 45.556 0.023 . . . . . . 119 G CA . 16779 1 1214 . 1 1 119 119 GLY N N 15 109.663 0.031 . . . . . . 119 G N . 16779 1 1215 . 1 1 120 120 ILE H H 1 7.984 0.001 . . . . . . 120 I HN . 16779 1 1216 . 1 1 120 120 ILE HA H 1 4.209 0.003 . . . . . . 120 I HA . 16779 1 1217 . 1 1 120 120 ILE HB H 1 1.876 0.006 . . . . . . 120 I HB . 16779 1 1218 . 1 1 120 120 ILE HD11 H 1 0.855 0.005 . . . . . . 120 I QD1 . 16779 1 1219 . 1 1 120 120 ILE HD12 H 1 0.855 0.005 . . . . . . 120 I QD1 . 16779 1 1220 . 1 1 120 120 ILE HD13 H 1 0.855 0.005 . . . . . . 120 I QD1 . 16779 1 1221 . 1 1 120 120 ILE HG12 H 1 1.428 0.011 . . . . . . 120 I HG12 . 16779 1 1222 . 1 1 120 120 ILE HG13 H 1 1.139 0.006 . . . . . . 120 I HG13 . 16779 1 1223 . 1 1 120 120 ILE HG21 H 1 0.903 0.006 . . . . . . 120 I QG2 . 16779 1 1224 . 1 1 120 120 ILE HG22 H 1 0.903 0.006 . . . . . . 120 I QG2 . 16779 1 1225 . 1 1 120 120 ILE HG23 H 1 0.903 0.006 . . . . . . 120 I QG2 . 16779 1 1226 . 1 1 120 120 ILE C C 13 175.984 0.001 . . . . . . 120 I CO . 16779 1 1227 . 1 1 120 120 ILE CA C 13 61.135 0.063 . . . . . . 120 I CA . 16779 1 1228 . 1 1 120 120 ILE CB C 13 38.893 0.026 . . . . . . 120 I CB . 16779 1 1229 . 1 1 120 120 ILE CD1 C 13 13.254 0.000 . . . . . . 120 I CD1 . 16779 1 1230 . 1 1 120 120 ILE CG1 C 13 27.154 0.000 . . . . . . 120 I CG1 . 16779 1 1231 . 1 1 120 120 ILE CG2 C 13 17.536 0.075 . . . . . . 120 I CG2 . 16779 1 1232 . 1 1 120 120 ILE N N 15 120.005 0.026 . . . . . . 120 I N . 16779 1 1233 . 1 1 121 121 ASP H H 1 8.404 0.002 . . . . . . 121 D HN . 16779 1 1234 . 1 1 121 121 ASP HA H 1 4.660 0.002 . . . . . . 121 D HA . 16779 1 1235 . 1 1 121 121 ASP HB2 H 1 2.587 0.004 . . . . . . 121 D HB2 . 16779 1 1236 . 1 1 121 121 ASP HB3 H 1 2.732 0.006 . . . . . . 121 D HB3 . 16779 1 1237 . 1 1 121 121 ASP C C 13 175.826 0.039 . . . . . . 121 D CO . 16779 1 1238 . 1 1 121 121 ASP CA C 13 54.481 0.028 . . . . . . 121 D CA . 16779 1 1239 . 1 1 121 121 ASP CB C 13 41.388 0.017 . . . . . . 121 D CB . 16779 1 1240 . 1 1 121 121 ASP N N 15 124.169 0.033 . . . . . . 121 D N . 16779 1 1241 . 1 1 122 122 ASP H H 1 8.221 0.001 . . . . . . 122 D HN . 16779 1 1242 . 1 1 122 122 ASP HA H 1 4.618 0.003 . . . . . . 122 D HA . 16779 1 1243 . 1 1 122 122 ASP HB2 H 1 2.594 0.002 . . . . . . 122 D HB2 . 16779 1 1244 . 1 1 122 122 ASP HB3 H 1 2.719 0.002 . . . . . . 122 D HB3 . 16779 1 1245 . 1 1 122 122 ASP C C 13 175.340 0.042 . . . . . . 122 D CO . 16779 1 1246 . 1 1 122 122 ASP CA C 13 54.473 0.008 . . . . . . 122 D CA . 16779 1 1247 . 1 1 122 122 ASP CB C 13 41.382 0.005 . . . . . . 122 D CB . 16779 1 1248 . 1 1 122 122 ASP N N 15 121.293 0.020 . . . . . . 122 D N . 16779 1 1249 . 1 1 123 123 GLU H H 1 7.904 0.001 . . . . . . 123 E HN . 16779 1 1250 . 1 1 123 123 GLU HA H 1 4.095 0.007 . . . . . . 123 E HA . 16779 1 1251 . 1 1 123 123 GLU C C 13 181.267 0.000 . . . . . . 123 E CO . 16779 1 1252 . 1 1 123 123 GLU CA C 13 58.187 0.000 . . . . . . 123 E CA . 16779 1 1253 . 1 1 123 123 GLU CB C 13 31.233 0.000 . . . . . . 123 E CB . 16779 1 1254 . 1 1 123 123 GLU N N 15 125.983 0.022 . . . . . . 123 E N . 16779 1 stop_ save_