data_18029 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18029 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for sf-ALR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-31 _Entry.Accession_date 2011-10-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bertini Ivano . . . 18029 2 Ciofi-Baffoni Simone . . . 18029 3 Gallo Angelo . . . 18029 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18029 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 411 18029 '15N chemical shifts' 107 18029 '1H chemical shifts' 503 18029 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 2 . . 2011-12-12 2011-10-31 update BMRB 'update entry citation' 18029 1 . . 2011-11-04 2011-10-31 original author 'original release' 18029 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3o55 . 18029 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18029 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21383138 _Citation.Full_citation . _Citation.Title 'Molecular recognition and substrate mimicry drive the electron-transfer process between MIA40 and ALR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 108 _Citation.Journal_issue 12 _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 4811 _Citation.Page_last 4816 _Citation.Year 2011 _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 Lucia Banci . . . 18029 1 2 Ivano Bertini . . . 18029 1 3 Vito Calderone . . . 18029 1 4 Chiara Cefaro . . . 18029 1 5 Simone Ciofi-Baffoni . . . 18029 1 6 Angelo Gallo . . . 18029 1 7 Emmanouela Kallergi . . . 18029 1 8 Eirini Lionaki . . . 18029 1 9 Charalambos Pozidis . . . 18029 1 10 Kostas Tokatlidis . . . 18029 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'disulfide relay' 18029 1 Erv1 18029 1 'MIA40 oxidoreductase' 18029 1 NMR 18029 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18029 _Assembly.ID 1 _Assembly.Name sf-ALR _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 'Homodimer containing 1 FAD molecule per monomer' _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 'sf-ALR, chain 1' 1 $sf-ALR A . yes native no no . . . 18029 1 2 'sf-ALR, chain 2' 1 $sf-ALR B . yes native no no . . . 18029 1 3 'FAD, 1' 2 $FAD A . no native no no . . . 18029 1 4 'FAD, 2' 2 $FAD B . no native no no . . . 18029 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 19 19 SG . 2 . 1 CYS 128 128 SG . . . . . . . . . . 18029 1 2 disulfide single . 2 . 1 CYS 19 19 SG . 1 . 1 CYS 128 128 SG . . . . . . . . . . 18029 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3o55 . . X-ray . . . 18029 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Electron Transport' 18029 1 'Sulfhydryl Oxidase' 18029 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sf-ALR _Entity.Sf_category entity _Entity.Sf_framecode sf-ALR _Entity.Entry_ID 18029 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sf-ALR _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 ; GSFTMRTQQKRDTKFREDCP PDREELGRHSWAVLHTLAAY YPDLPTPEQQQDMAQFIHLF SKFYPCEECAEDLRKRLARN HPDTRTRAAFTQWLCHLHNE VNRKLGKPDFDCSKVDERWR DGWKDGSCD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'UNP sequences Q9NY86 from residue 81 to 205' _Entity.Polymer_author_seq_details 'The first four residue (GSFT) are remaining from the TEV cleavage site' _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C78A,C89A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14991.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 26515 . sf-ALR . . . . . 96.90 125 100.00 100.00 3.38e-87 . . . . 18029 1 2 no BMRB 26533 . sf-ALR . . . . . 96.90 125 100.00 100.00 3.38e-87 . . . . 18029 1 3 no PDB 3MBG . "Crystal Structure Of Human Augmenter Of Liver Regeneration (Alr)" . . . . . 100.00 139 97.67 98.45 2.86e-88 . . . . 18029 1 4 no PDB 3O55 . "Crystal Structure Of Human Fad-Linked Augmenter Of Liver Regeneration (Alr)" . . . . . 96.90 125 100.00 100.00 3.38e-87 . . . . 18029 1 5 no PDB 3TK0 . "Mutation Of Sfalr" . . . . . 97.67 126 98.41 99.21 1.24e-86 . . . . 18029 1 6 no PDB 3U2L . "Crystal Structure Of Human Alr Mutant C142s" . . . . . 89.15 115 99.13 99.13 9.87e-79 . . . . 18029 1 7 no PDB 3U2M . "Crystal Structure Of Human Alr Mutant C142145S" . . . . . 89.15 115 98.26 98.26 7.04e-78 . . . . 18029 1 8 no PDB 4LDK . "Fad-linked Sulfhydryl Oxidase Alr Mutation" . . . . . 97.67 126 97.62 98.41 1.49e-85 . . . . 18029 1 9 no DBJ BAI46852 . "growth factor, augmenter of liver regeneration [synthetic construct]" . . . . . 96.90 205 98.40 98.40 2.34e-85 . . . . 18029 1 10 no EMBL CAB87993 . "augmenter of liver regeneration [Homo sapiens]" . . . . . 96.90 204 98.40 98.40 7.50e-85 . . . . 18029 1 11 no GB AAA96390 . "ERV1 [Homo sapiens]" . . . . . 96.90 125 98.40 98.40 2.07e-85 . . . . 18029 1 12 no GB AAD17328 . "hepatopoietin HPO2 [Homo sapiens]" . . . . . 96.90 125 98.40 98.40 2.07e-85 . . . . 18029 1 13 no GB AAD36986 . "augmenter of liver regeneration [Homo sapiens]" . . . . . 96.90 125 98.40 98.40 2.07e-85 . . . . 18029 1 14 no GB AAG43494 . "truncated augmenter of liver regeneration [Homo sapiens]" . . . . . 67.44 94 97.70 97.70 4.36e-54 . . . . 18029 1 15 no GB AAH02429 . "GFER protein [Homo sapiens]" . . . . . 96.90 125 98.40 98.40 2.07e-85 . . . . 18029 1 16 no REF NP_005253 . "FAD-linked sulfhydryl oxidase ALR [Homo sapiens]" . . . . . 96.90 205 98.40 98.40 2.34e-85 . . . . 18029 1 17 no REF XP_004057029 . "PREDICTED: FAD-linked sulfhydryl oxidase ALR [Gorilla gorilla gorilla]" . . . . . 96.90 205 97.60 97.60 1.66e-84 . . . . 18029 1 18 no REF XP_007980253 . "PREDICTED: FAD-linked sulfhydryl oxidase ALR isoform X1 [Chlorocebus sabaeus]" . . . . . 96.90 205 97.60 97.60 1.94e-84 . . . . 18029 1 19 no SP P55789 . "RecName: Full=FAD-linked sulfhydryl oxidase ALR; AltName: Full=Augmenter of liver regeneration; Short=hERV1; AltName: Full=Hepa" . . . . . 96.90 205 98.40 98.40 2.34e-85 . . . . 18029 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Electron Transport' 18029 1 'Sulfhydryl Oxidase containing FAD' 18029 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 1 GLY . 18029 1 2 2 SER . 18029 1 3 3 PHE . 18029 1 4 4 THR . 18029 1 5 5 MET . 18029 1 6 6 ARG . 18029 1 7 7 THR . 18029 1 8 8 GLN . 18029 1 9 9 GLN . 18029 1 10 10 LYS . 18029 1 11 11 ARG . 18029 1 12 12 ASP . 18029 1 13 13 THR . 18029 1 14 14 LYS . 18029 1 15 15 PHE . 18029 1 16 16 ARG . 18029 1 17 17 GLU . 18029 1 18 18 ASP . 18029 1 19 19 CYS . 18029 1 20 20 PRO . 18029 1 21 21 PRO . 18029 1 22 22 ASP . 18029 1 23 23 ARG . 18029 1 24 24 GLU . 18029 1 25 25 GLU . 18029 1 26 26 LEU . 18029 1 27 27 GLY . 18029 1 28 28 ARG . 18029 1 29 29 HIS . 18029 1 30 30 SER . 18029 1 31 31 TRP . 18029 1 32 32 ALA . 18029 1 33 33 VAL . 18029 1 34 34 LEU . 18029 1 35 35 HIS . 18029 1 36 36 THR . 18029 1 37 37 LEU . 18029 1 38 38 ALA . 18029 1 39 39 ALA . 18029 1 40 40 TYR . 18029 1 41 41 TYR . 18029 1 42 42 PRO . 18029 1 43 43 ASP . 18029 1 44 44 LEU . 18029 1 45 45 PRO . 18029 1 46 46 THR . 18029 1 47 47 PRO . 18029 1 48 48 GLU . 18029 1 49 49 GLN . 18029 1 50 50 GLN . 18029 1 51 51 GLN . 18029 1 52 52 ASP . 18029 1 53 53 MET . 18029 1 54 54 ALA . 18029 1 55 55 GLN . 18029 1 56 56 PHE . 18029 1 57 57 ILE . 18029 1 58 58 HIS . 18029 1 59 59 LEU . 18029 1 60 60 PHE . 18029 1 61 61 SER . 18029 1 62 62 LYS . 18029 1 63 63 PHE . 18029 1 64 64 TYR . 18029 1 65 65 PRO . 18029 1 66 66 CYS . 18029 1 67 67 GLU . 18029 1 68 68 GLU . 18029 1 69 69 CYS . 18029 1 70 70 ALA . 18029 1 71 71 GLU . 18029 1 72 72 ASP . 18029 1 73 73 LEU . 18029 1 74 74 ARG . 18029 1 75 75 LYS . 18029 1 76 76 ARG . 18029 1 77 77 LEU . 18029 1 78 78 ALA . 18029 1 79 79 ARG . 18029 1 80 80 ASN . 18029 1 81 81 HIS . 18029 1 82 82 PRO . 18029 1 83 83 ASP . 18029 1 84 84 THR . 18029 1 85 85 ARG . 18029 1 86 86 THR . 18029 1 87 87 ARG . 18029 1 88 88 ALA . 18029 1 89 89 ALA . 18029 1 90 90 PHE . 18029 1 91 91 THR . 18029 1 92 92 GLN . 18029 1 93 93 TRP . 18029 1 94 94 LEU . 18029 1 95 95 CYS . 18029 1 96 96 HIS . 18029 1 97 97 LEU . 18029 1 98 98 HIS . 18029 1 99 99 ASN . 18029 1 100 100 GLU . 18029 1 101 101 VAL . 18029 1 102 102 ASN . 18029 1 103 103 ARG . 18029 1 104 104 LYS . 18029 1 105 105 LEU . 18029 1 106 106 GLY . 18029 1 107 107 LYS . 18029 1 108 108 PRO . 18029 1 109 109 ASP . 18029 1 110 110 PHE . 18029 1 111 111 ASP . 18029 1 112 112 CYS . 18029 1 113 113 SER . 18029 1 114 114 LYS . 18029 1 115 115 VAL . 18029 1 116 116 ASP . 18029 1 117 117 GLU . 18029 1 118 118 ARG . 18029 1 119 119 TRP . 18029 1 120 120 ARG . 18029 1 121 121 ASP . 18029 1 122 122 GLY . 18029 1 123 123 TRP . 18029 1 124 124 LYS . 18029 1 125 125 ASP . 18029 1 126 126 GLY . 18029 1 127 127 SER . 18029 1 128 128 CYS . 18029 1 129 129 ASP . 18029 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18029 1 . SER 2 2 18029 1 . PHE 3 3 18029 1 . THR 4 4 18029 1 . MET 5 5 18029 1 . ARG 6 6 18029 1 . THR 7 7 18029 1 . GLN 8 8 18029 1 . GLN 9 9 18029 1 . LYS 10 10 18029 1 . ARG 11 11 18029 1 . ASP 12 12 18029 1 . THR 13 13 18029 1 . LYS 14 14 18029 1 . PHE 15 15 18029 1 . ARG 16 16 18029 1 . GLU 17 17 18029 1 . ASP 18 18 18029 1 . CYS 19 19 18029 1 . PRO 20 20 18029 1 . PRO 21 21 18029 1 . ASP 22 22 18029 1 . ARG 23 23 18029 1 . GLU 24 24 18029 1 . GLU 25 25 18029 1 . LEU 26 26 18029 1 . GLY 27 27 18029 1 . ARG 28 28 18029 1 . HIS 29 29 18029 1 . SER 30 30 18029 1 . TRP 31 31 18029 1 . ALA 32 32 18029 1 . VAL 33 33 18029 1 . LEU 34 34 18029 1 . HIS 35 35 18029 1 . THR 36 36 18029 1 . LEU 37 37 18029 1 . ALA 38 38 18029 1 . ALA 39 39 18029 1 . TYR 40 40 18029 1 . TYR 41 41 18029 1 . PRO 42 42 18029 1 . ASP 43 43 18029 1 . LEU 44 44 18029 1 . PRO 45 45 18029 1 . THR 46 46 18029 1 . PRO 47 47 18029 1 . GLU 48 48 18029 1 . GLN 49 49 18029 1 . GLN 50 50 18029 1 . GLN 51 51 18029 1 . ASP 52 52 18029 1 . MET 53 53 18029 1 . ALA 54 54 18029 1 . GLN 55 55 18029 1 . PHE 56 56 18029 1 . ILE 57 57 18029 1 . HIS 58 58 18029 1 . LEU 59 59 18029 1 . PHE 60 60 18029 1 . SER 61 61 18029 1 . LYS 62 62 18029 1 . PHE 63 63 18029 1 . TYR 64 64 18029 1 . PRO 65 65 18029 1 . CYS 66 66 18029 1 . GLU 67 67 18029 1 . GLU 68 68 18029 1 . CYS 69 69 18029 1 . ALA 70 70 18029 1 . GLU 71 71 18029 1 . ASP 72 72 18029 1 . LEU 73 73 18029 1 . ARG 74 74 18029 1 . LYS 75 75 18029 1 . ARG 76 76 18029 1 . LEU 77 77 18029 1 . ALA 78 78 18029 1 . ARG 79 79 18029 1 . ASN 80 80 18029 1 . HIS 81 81 18029 1 . PRO 82 82 18029 1 . ASP 83 83 18029 1 . THR 84 84 18029 1 . ARG 85 85 18029 1 . THR 86 86 18029 1 . ARG 87 87 18029 1 . ALA 88 88 18029 1 . ALA 89 89 18029 1 . PHE 90 90 18029 1 . THR 91 91 18029 1 . GLN 92 92 18029 1 . TRP 93 93 18029 1 . LEU 94 94 18029 1 . CYS 95 95 18029 1 . HIS 96 96 18029 1 . LEU 97 97 18029 1 . HIS 98 98 18029 1 . ASN 99 99 18029 1 . GLU 100 100 18029 1 . VAL 101 101 18029 1 . ASN 102 102 18029 1 . ARG 103 103 18029 1 . LYS 104 104 18029 1 . LEU 105 105 18029 1 . GLY 106 106 18029 1 . LYS 107 107 18029 1 . PRO 108 108 18029 1 . ASP 109 109 18029 1 . PHE 110 110 18029 1 . ASP 111 111 18029 1 . CYS 112 112 18029 1 . SER 113 113 18029 1 . LYS 114 114 18029 1 . VAL 115 115 18029 1 . ASP 116 116 18029 1 . GLU 117 117 18029 1 . ARG 118 118 18029 1 . TRP 119 119 18029 1 . ARG 120 120 18029 1 . ASP 121 121 18029 1 . GLY 122 122 18029 1 . TRP 123 123 18029 1 . LYS 124 124 18029 1 . ASP 125 125 18029 1 . GLY 126 126 18029 1 . SER 127 127 18029 1 . CYS 128 128 18029 1 . ASP 129 129 18029 1 stop_ save_ save_FAD _Entity.Sf_category entity _Entity.Sf_framecode FAD _Entity.Entry_ID 18029 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FAD _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FAD _Entity.Nonpolymer_comp_label $chem_comp_FAD _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . FAD . 18029 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18029 _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 $sf-ALR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18029 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 18029 _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 $sf-ALR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 24a(+)' . . . . . . 18029 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FAD _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FAD _Chem_comp.Entry_ID 18029 _Chem_comp.ID FAD _Chem_comp.Provenance . _Chem_comp.Name 'FLAVIN-ADENINE DINUCLEOTIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FAD _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FAD _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C27 H33 N9 O15 P2' _Chem_comp.Formula_weight 785.550 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B4V _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 31 14:00:40 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 18029 FAD Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18029 FAD Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C SMILES_CANONICAL CACTVS 3.341 18029 FAD Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C SMILES CACTVS 3.341 18029 FAD InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 InChI InChI 1.03 18029 FAD O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C SMILES ACDLabs 10.04 18029 FAD VWWQXMAJTJZDQX-UYBVJOGSSA-N InChIKey InChI 1.03 18029 FAD stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)' 'SYSTEMATIC NAME' ACDLabs 10.04 18029 FAD '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18029 FAD stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PA . PA . . P . . R 0 . . . . no no . . . . 21.838 . 0.805 . 23.170 . -1.648 -0.629 -3.229 1 . 18029 FAD O1A . O1A . . O . . N 0 . . . . no no . . . . 21.303 . -0.519 . 22.722 . -3.035 -1.088 -2.992 2 . 18029 FAD O2A . O2A . . O . . N 0 . . . . no no . . . . 21.242 . 1.938 . 22.745 . -0.678 -1.906 -3.378 3 . 18029 FAD O5B . O5B . . O . . N 0 . . . . no no . . . . 21.519 . 0.682 . 24.644 . -1.595 0.245 -4.580 4 . 18029 FAD C5B . C5B . . C . . N 0 . . . . no no . . . . 21.897 . 1.643 . 25.685 . -2.036 -0.605 -5.640 5 . 18029 FAD C4B . C4B . . C . . R 0 . . . . no no . . . . 20.997 . 1.330 . 26.945 . -2.009 0.169 -6.959 6 . 18029 FAD O4B . O4B . . O . . N 0 . . . . no no . . . . 21.460 . 2.224 . 28.053 . -0.665 0.583 -7.256 7 . 18029 FAD C3B . C3B . . C . . S 0 . . . . no no . . . . 19.460 . 1.622 . 26.806 . -2.476 -0.741 -8.111 8 . 18029 FAD O3B . O3B . . O . . N 0 . . . . no no . . . . 18.671 . 0.579 . 27.290 . -3.639 -0.203 -8.744 9 . 18029 FAD C2B . C2B . . C . . R 0 . . . . no no . . . . 19.298 . 2.973 . 27.574 . -1.277 -0.748 -9.095 10 . 18029 FAD O2B . O2B . . O . . N 0 . . . . no no . . . . 18.004 . 3.122 . 28.103 . -1.728 -0.672 -10.449 11 . 18029 FAD C1B . C1B . . C . . R 0 . . . . no no . . . . 20.276 . 2.783 . 28.699 . -0.518 0.541 -8.692 12 . 18029 FAD N9A . N9A . . N . . N 0 . . . . yes no . . . . 20.801 . 4.020 . 29.267 . 0.895 0.449 -9.063 13 . 18029 FAD C8A . C8A . . C . . N 0 . . . . yes no . . . . 21.154 . 5.153 . 28.575 . 1.889 -0.118 -8.322 14 . 18029 FAD N7A . N7A . . N . . N 0 . . . . yes no . . . . 21.668 . 6.097 . 29.360 . 3.023 -0.024 -8.953 15 . 18029 FAD C5A . C5A . . C . . N 0 . . . . yes no . . . . 21.563 . 5.585 . 30.631 . 2.830 0.606 -10.136 16 . 18029 FAD C6A . C6A . . C . . N 0 . . . . yes no . . . . 21.927 . 6.147 . 31.932 . 3.663 0.979 -11.205 17 . 18029 FAD N6A . N6A . . N . . N 0 . . . . no no . . . . 22.352 . 7.373 . 32.098 . 5.018 0.698 -11.178 18 . 18029 FAD N1A . N1A . . N . . N 0 . . . . yes no . . . . 21.585 . 5.362 . 32.997 . 3.119 1.607 -12.242 19 . 18029 FAD C2A . C2A . . C . . N 0 . . . . yes no . . . . 21.028 . 4.127 . 32.847 . 1.827 1.878 -12.277 20 . 18029 FAD N3A . N3A . . N . . N 0 . . . . yes no . . . . 20.758 . 3.492 . 31.695 . 1.010 1.549 -11.299 21 . 18029 FAD C4A . C4A . . C . . N 0 . . . . yes no . . . . 21.094 . 4.244 . 30.607 . 1.462 0.914 -10.223 22 . 18029 FAD N1 . N1 . . N . . N 0 . . . . no no . . . . 21.113 . -2.231 . 14.334 . -1.933 0.360 8.321 23 . 18029 FAD C2 . C2 . . C . . N 0 . . . . no no . . . . 21.370 . -3.317 . 13.619 . -2.802 1.033 9.070 24 . 18029 FAD O2 . O2 . . O . . N 0 . . . . no no . . . . 22.472 . -3.795 . 13.558 . -3.970 1.043 8.721 25 . 18029 FAD N3 . N3 . . N . . N 0 . . . . no no . . . . 20.335 . -4.062 . 12.992 . -2.474 1.701 10.185 26 . 18029 FAD C4 . C4 . . C . . N 0 . . . . no no . . . . 19.064 . -3.545 . 12.870 . -1.197 1.734 10.634 27 . 18029 FAD O4 . O4 . . O . . N 0 . . . . no no . . . . 18.201 . -4.199 . 12.324 . -0.897 2.340 11.644 28 . 18029 FAD C4X . C4X . . C . . N 0 . . . . no no . . . . 18.842 . -2.220 . 13.431 . -0.184 1.003 9.842 29 . 18029 FAD N5 . N5 . . N . . N 0 . . . . no no . . . . 17.621 . -1.643 . 13.324 . 1.078 0.968 10.185 30 . 18029 FAD C5X . C5X . . C . . N 0 . . . . yes no . . . . 17.401 . -0.507 . 14.054 . 1.969 0.295 9.446 31 . 18029 FAD C6 . C6 . . C . . N 0 . . . . yes no . . . . 16.092 . 0.030 . 14.034 . 3.324 0.270 9.833 32 . 18029 FAD C7 . C7 . . C . . N 0 . . . . yes no . . . . 15.729 . 1.049 . 14.879 . 4.232 -0.412 9.082 33 . 18029 FAD C7M . C7M . . C . . N 0 . . . . no no . . . . 14.319 . 1.587 . 14.859 . 5.679 -0.434 9.502 34 . 18029 FAD C8 . C8 . . C . . N 0 . . . . yes no . . . . 16.666 . 1.547 . 15.852 . 3.841 -1.085 7.930 35 . 18029 FAD C8M . C8M . . C . . N 0 . . . . no no . . . . 16.334 . 2.718 . 16.739 . 4.866 -1.832 7.116 36 . 18029 FAD C9 . C9 . . C . . N 0 . . . . yes no . . . . 17.942 . 0.981 . 15.928 . 2.523 -1.082 7.529 37 . 18029 FAD C9A . C9A . . C . . N 0 . . . . yes no . . . . 18.331 . 0.020 . 14.992 . 1.572 -0.393 8.278 38 . 18029 FAD N10 . N10 . . N . . N 0 . . . . no no . . . . 19.633 . -0.566 . 14.994 . 0.253 -0.382 7.877 39 . 18029 FAD C10 . C10 . . C . . N 0 . . . . no no . . . . 19.892 . -1.653 . 14.271 . -0.649 0.301 8.634 40 . 18029 FAD C1' . C1' . . C . . N 0 . . . . no no . . . . 20.685 . 0.069 . 15.813 . -0.168 -1.093 6.668 41 . 18029 FAD C2' . C2' . . C . . S 0 . . . . no no . . . . 21.054 . -0.797 . 17.045 . -0.070 -0.153 5.464 42 . 18029 FAD O2' . O2' . . O . . N 0 . . . . no no . . . . 19.858 . -1.073 . 17.768 . -0.919 0.977 5.673 43 . 18029 FAD C3' . C3' . . C . . S 0 . . . . no no . . . . 21.986 . 0.046 . 17.903 . -0.511 -0.895 4.201 44 . 18029 FAD O3' . O3' . . O . . N 0 . . . . no no . . . . 23.172 . 0.294 . 17.145 . 0.337 -2.026 3.992 45 . 18029 FAD C4' . C4' . . C . . R 0 . . . . no no . . . . 22.378 . -0.732 . 19.167 . -0.413 0.044 2.997 46 . 18029 FAD O4' . O4' . . O . . N 0 . . . . no no . . . . 21.231 . -1.036 . 19.962 . -1.262 1.174 3.206 47 . 18029 FAD C5' . C5' . . C . . N 0 . . . . no no . . . . 23.375 . 0.117 . 19.918 . -0.854 -0.697 1.734 48 . 18029 FAD O5' . O5' . . O . . N 0 . . . . no no . . . . 23.884 . -0.652 . 21.183 . -0.763 0.179 0.610 49 . 18029 FAD P . P . . P . . R 0 . . . . no no . . . . 24.507 . 0.103 . 22.345 . -1.239 -0.662 -0.677 50 . 18029 FAD O1P . O1P . . O . . N 0 . . . . no no . . . . 24.982 . -0.991 . 23.309 . -0.354 -1.835 -0.853 51 . 18029 FAD O2P . O2P . . O . . N 0 . . . . no no . . . . 25.437 . 1.054 . 21.950 . -2.754 -1.160 -0.462 52 . 18029 FAD O3P . O3P . . O . . N 0 . . . . no no . . . . 23.473 . 0.866 . 23.032 . -1.161 0.270 -1.987 53 . 18029 FAD HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 21.581 . 2.778 . 23.029 . 0.212 -1.564 -3.531 54 . 18029 FAD H51A . H51A . . H . . N 0 . . . . no no . . . . 22.988 . 1.637 . 25.912 . -1.374 -1.468 -5.712 55 . 18029 FAD H52A . H52A . . H . . N 0 . . . . no no . . . . 21.828 . 2.704 . 25.349 . -3.052 -0.942 -5.437 56 . 18029 FAD H4B . H4B . . H . . N 0 . . . . no no . . . . 21.108 . 0.232 . 27.108 . -2.659 1.041 -6.890 57 . 18029 FAD H3B . H3B . . H . . N 0 . . . . no no . . . . 19.108 . 1.700 . 25.750 . -2.674 -1.748 -7.744 58 . 18029 FAD HO3A . HO3A . . H . . N 0 . . . . no no . . . . 17.741 . 0.755 . 27.205 . -3.845 -0.782 -9.490 59 . 18029 FAD H2B . H2B . . H . . N 0 . . . . no no . . . . 19.466 . 3.869 . 26.932 . -0.653 -1.630 -8.944 60 . 18029 FAD HO2A . HO2A . . H . . N 0 . . . . no no . . . . 17.905 . 3.943 . 28.570 . -2.190 -1.501 -10.636 61 . 18029 FAD H1B . H1B . . H . . N 0 . . . . no no . . . . 19.760 . 2.196 . 29.494 . -0.978 1.416 -9.150 62 . 18029 FAD H8A . H8A . . H . . N 0 . . . . no no . . . . 21.035 . 5.292 . 27.487 . 1.754 -0.577 -7.354 63 . 18029 FAD H61A . H61A . . H . . N 0 . . . . no no . . . . 22.605 . 7.764 . 33.004 . 5.582 0.960 -11.922 64 . 18029 FAD H62A . H62A . . H . . N 0 . . . . no no . . . . 21.653 . 7.992 . 31.686 . 5.403 0.239 -10.415 65 . 18029 FAD H2A . H2A . . H . . N 0 . . . . no no . . . . 20.764 . 3.576 . 33.766 . 1.427 2.391 -13.139 66 . 18029 FAD HN3 . HN3 . . H . . N 0 . . . . no no . . . . 20.509 . -4.995 . 12.618 . -3.164 2.169 10.679 67 . 18029 FAD H6 . H6 . . H . . N 0 . . . . no no . . . . 15.330 . -0.358 . 13.337 . 3.641 0.792 10.723 68 . 18029 FAD HM71 . HM71 . . H . . N 0 . . . . no no . . . . 14.024 . 2.414 . 15.545 . 5.853 -1.285 10.162 69 . 18029 FAD HM72 . HM72 . . H . . N 0 . . . . no no . . . . 14.074 . 1.892 . 13.815 . 6.313 -0.523 8.620 70 . 18029 FAD HM73 . HM73 . . H . . N 0 . . . . no no . . . . 13.616 . 0.735 . 15.013 . 5.919 0.488 10.030 71 . 18029 FAD HM81 . HM81 . . H . . N 0 . . . . no no . . . . 17.059 . 3.103 . 17.492 . 5.285 -1.167 6.361 72 . 18029 FAD HM82 . HM82 . . H . . N 0 . . . . no no . . . . 16.034 . 3.569 . 16.084 . 5.662 -2.185 7.772 73 . 18029 FAD HM83 . HM83 . . H . . N 0 . . . . no no . . . . 15.380 . 2.487 . 17.268 . 4.393 -2.684 6.628 74 . 18029 FAD H9 . H9 . . H . . N 0 . . . . no no . . . . 18.639 . 1.291 . 16.723 . 2.228 -1.609 6.634 75 . 18029 FAD H1'1 . H1'1 . . H . . N 0 . . . . no no . . . . 21.585 . 0.310 . 15.201 . 0.478 -1.955 6.508 76 . 18029 FAD H1'2 . H1'2 . . H . . N 0 . . . . no no . . . . 20.396 . 1.103 . 16.114 . -1.198 -1.428 6.784 77 . 18029 FAD H2' . H2' . . H . . N 0 . . . . no no . . . . 21.540 . -1.757 . 16.755 . 0.959 0.182 5.348 78 . 18029 FAD HO2' . HO2' . . H . . N 0 . . . . no no . . . . 20.084 . -1.603 . 18.522 . -1.819 0.637 5.771 79 . 18029 FAD H3' . H3' . . H . . N 0 . . . . no no . . . . 21.479 . 0.996 . 18.193 . -1.541 -1.231 4.317 80 . 18029 FAD HO3' . HO3' . . H . . N 0 . . . . no no . . . . 23.753 . 0.820 . 17.680 . 1.237 -1.686 3.894 81 . 18029 FAD H4' . H4' . . H . . N 0 . . . . no no . . . . 22.834 . -1.714 . 18.902 . 0.616 0.379 2.881 82 . 18029 FAD HO4' . HO4' . . H . . N 0 . . . . no no . . . . 21.473 . -1.517 . 20.744 . -2.162 0.834 3.304 83 . 18029 FAD H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 24.215 . 0.451 . 19.265 . -0.207 -1.560 1.575 84 . 18029 FAD H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 22.960 . 1.119 . 20.176 . -1.884 -1.033 1.850 85 . 18029 FAD HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 25.826 . 1.526 . 22.676 . -3.296 -0.367 -0.351 86 . 18029 FAD stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A no N 1 . 18029 FAD 2 . SING PA O2A no N 2 . 18029 FAD 3 . SING PA O5B no N 3 . 18029 FAD 4 . SING PA O3P no N 4 . 18029 FAD 5 . SING O2A HOA2 no N 5 . 18029 FAD 6 . SING O5B C5B no N 6 . 18029 FAD 7 . SING C5B C4B no N 7 . 18029 FAD 8 . SING C5B H51A no N 8 . 18029 FAD 9 . SING C5B H52A no N 9 . 18029 FAD 10 . SING C4B O4B no N 10 . 18029 FAD 11 . SING C4B C3B no N 11 . 18029 FAD 12 . SING C4B H4B no N 12 . 18029 FAD 13 . SING O4B C1B no N 13 . 18029 FAD 14 . SING C3B O3B no N 14 . 18029 FAD 15 . SING C3B C2B no N 15 . 18029 FAD 16 . SING C3B H3B no N 16 . 18029 FAD 17 . SING O3B HO3A no N 17 . 18029 FAD 18 . SING C2B O2B no N 18 . 18029 FAD 19 . SING C2B C1B no N 19 . 18029 FAD 20 . SING C2B H2B no N 20 . 18029 FAD 21 . SING O2B HO2A no N 21 . 18029 FAD 22 . SING C1B N9A no N 22 . 18029 FAD 23 . SING C1B H1B no N 23 . 18029 FAD 24 . SING N9A C8A yes N 24 . 18029 FAD 25 . SING N9A C4A yes N 25 . 18029 FAD 26 . DOUB C8A N7A yes N 26 . 18029 FAD 27 . SING C8A H8A no N 27 . 18029 FAD 28 . SING N7A C5A yes N 28 . 18029 FAD 29 . SING C5A C6A yes N 29 . 18029 FAD 30 . DOUB C5A C4A yes N 30 . 18029 FAD 31 . SING C6A N6A no N 31 . 18029 FAD 32 . DOUB C6A N1A yes N 32 . 18029 FAD 33 . SING N6A H61A no N 33 . 18029 FAD 34 . SING N6A H62A no N 34 . 18029 FAD 35 . SING N1A C2A yes N 35 . 18029 FAD 36 . DOUB C2A N3A yes N 36 . 18029 FAD 37 . SING C2A H2A no N 37 . 18029 FAD 38 . SING N3A C4A yes N 38 . 18029 FAD 39 . SING N1 C2 no N 39 . 18029 FAD 40 . DOUB N1 C10 no N 40 . 18029 FAD 41 . DOUB C2 O2 no N 41 . 18029 FAD 42 . SING C2 N3 no N 42 . 18029 FAD 43 . SING N3 C4 no N 43 . 18029 FAD 44 . SING N3 HN3 no N 44 . 18029 FAD 45 . DOUB C4 O4 no N 45 . 18029 FAD 46 . SING C4 C4X no N 46 . 18029 FAD 47 . DOUB C4X N5 no N 47 . 18029 FAD 48 . SING C4X C10 no N 48 . 18029 FAD 49 . SING N5 C5X no N 49 . 18029 FAD 50 . DOUB C5X C6 yes N 50 . 18029 FAD 51 . SING C5X C9A yes N 51 . 18029 FAD 52 . SING C6 C7 yes N 52 . 18029 FAD 53 . SING C6 H6 no N 53 . 18029 FAD 54 . SING C7 C7M no N 54 . 18029 FAD 55 . DOUB C7 C8 yes N 55 . 18029 FAD 56 . SING C7M HM71 no N 56 . 18029 FAD 57 . SING C7M HM72 no N 57 . 18029 FAD 58 . SING C7M HM73 no N 58 . 18029 FAD 59 . SING C8 C8M no N 59 . 18029 FAD 60 . SING C8 C9 yes N 60 . 18029 FAD 61 . SING C8M HM81 no N 61 . 18029 FAD 62 . SING C8M HM82 no N 62 . 18029 FAD 63 . SING C8M HM83 no N 63 . 18029 FAD 64 . DOUB C9 C9A yes N 64 . 18029 FAD 65 . SING C9 H9 no N 65 . 18029 FAD 66 . SING C9A N10 no N 66 . 18029 FAD 67 . SING N10 C10 no N 67 . 18029 FAD 68 . SING N10 C1' no N 68 . 18029 FAD 69 . SING C1' C2' no N 69 . 18029 FAD 70 . SING C1' H1'1 no N 70 . 18029 FAD 71 . SING C1' H1'2 no N 71 . 18029 FAD 72 . SING C2' O2' no N 72 . 18029 FAD 73 . SING C2' C3' no N 73 . 18029 FAD 74 . SING C2' H2' no N 74 . 18029 FAD 75 . SING O2' HO2' no N 75 . 18029 FAD 76 . SING C3' O3' no N 76 . 18029 FAD 77 . SING C3' C4' no N 77 . 18029 FAD 78 . SING C3' H3' no N 78 . 18029 FAD 79 . SING O3' HO3' no N 79 . 18029 FAD 80 . SING C4' O4' no N 80 . 18029 FAD 81 . SING C4' C5' no N 81 . 18029 FAD 82 . SING C4' H4' no N 82 . 18029 FAD 83 . SING O4' HO4' no N 83 . 18029 FAD 84 . SING C5' O5' no N 84 . 18029 FAD 85 . SING C5' H5'1 no N 85 . 18029 FAD 86 . SING C5' H5'2 no N 86 . 18029 FAD 87 . SING O5' P no N 87 . 18029 FAD 88 . DOUB P O1P no N 88 . 18029 FAD 89 . SING P O2P no N 89 . 18029 FAD 90 . SING P O3P no N 90 . 18029 FAD 91 . SING O2P HOP2 no N 91 . 18029 FAD stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18029 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sf-ALR '[U-100% 13C; U-100% 15N]' . . 1 $sf-ALR . . 1 . . mM . . . . 18029 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18029 1 3 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 18029 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18029 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18029 1 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 18029 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18029 1 pH 7.2 . pH 18029 1 pressure 1 . atm 18029 1 temperature 308 . K 18029 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18029 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18029 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18029 1 processing 18029 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18029 _Software.ID 2 _Software.Name CARA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18029 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18029 2 'data analysis' 18029 2 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 18029 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18029 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18029 _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 . 900 . . . 18029 1 2 spectrometer_2 Bruker Avance . 500 . . . 18029 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 18029 _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 . . . . . . . . . . . . . . . . 18029 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18029 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18029 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18029 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18029 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18029 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18029 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18029 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18029 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18029 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 18029 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18029 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18029 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18029 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18029 _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 5 '3D HNCACB' . . . 18029 1 8 '3D HCCH-TOCSY' . . . 18029 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 10 10 LYS H H 1 8.40 0.02 . 1 . . . . 10 LYS H . 18029 1 2 . 1 1 10 10 LYS HA H 1 4.25 0.02 . 1 . . . . 10 LYS HA . 18029 1 3 . 1 1 10 10 LYS HB2 H 1 1.75 0.02 . 2 . . . . 10 LYS HB2 . 18029 1 4 . 1 1 10 10 LYS HB3 H 1 1.69 0.02 . 2 . . . . 10 LYS HB3 . 18029 1 5 . 1 1 10 10 LYS HG2 H 1 1.32 0.02 . 2 . . . . 10 LYS HG2 . 18029 1 6 . 1 1 10 10 LYS HG3 H 1 1.26 0.02 . 2 . . . . 10 LYS HG3 . 18029 1 7 . 1 1 10 10 LYS CA C 13 55.6 0.3 . 1 . . . . 10 LYS CA . 18029 1 8 . 1 1 10 10 LYS CB C 13 32.1 0.3 . 1 . . . . 10 LYS CB . 18029 1 9 . 1 1 10 10 LYS CG C 13 24.1 0.3 . 1 . . . . 10 LYS CG . 18029 1 10 . 1 1 10 10 LYS CD C 13 28.5 0.3 . 1 . . . . 10 LYS CD . 18029 1 11 . 1 1 10 10 LYS CE C 13 41.6 0.3 . 1 . . . . 10 LYS CE . 18029 1 12 . 1 1 10 10 LYS N N 15 121.7 0.3 . 1 . . . . 10 LYS N . 18029 1 13 . 1 1 11 11 ARG H H 1 8.54 0.02 . 1 . . . . 11 ARG H . 18029 1 14 . 1 1 11 11 ARG HA H 1 4.31 0.02 . 1 . . . . 11 ARG HA . 18029 1 15 . 1 1 11 11 ARG HB2 H 1 1.81 0.02 . 2 . . . . 11 ARG HB2 . 18029 1 16 . 1 1 11 11 ARG HB3 H 1 1.85 0.02 . 2 . . . . 11 ARG HB3 . 18029 1 17 . 1 1 11 11 ARG HG2 H 1 1.66 0.02 . 2 . . . . 11 ARG HG2 . 18029 1 18 . 1 1 11 11 ARG HG3 H 1 1.53 0.02 . 2 . . . . 11 ARG HG3 . 18029 1 19 . 1 1 11 11 ARG HD2 H 1 3.16 0.02 . 2 . . . . 11 ARG HD2 . 18029 1 20 . 1 1 11 11 ARG HD3 H 1 3.10 0.02 . 2 . . . . 11 ARG HD3 . 18029 1 21 . 1 1 11 11 ARG CA C 13 55.2 0.3 . 1 . . . . 11 ARG CA . 18029 1 22 . 1 1 11 11 ARG CB C 13 30.2 0.3 . 1 . . . . 11 ARG CB . 18029 1 23 . 1 1 11 11 ARG CG C 13 26.5 0.3 . 1 . . . . 11 ARG CG . 18029 1 24 . 1 1 11 11 ARG CD C 13 42.8 0.3 . 1 . . . . 11 ARG CD . 18029 1 25 . 1 1 11 11 ARG N N 15 123.3 0.3 . 1 . . . . 11 ARG N . 18029 1 26 . 1 1 12 12 ASP H H 1 8.47 0.02 . 1 . . . . 12 ASP H . 18029 1 27 . 1 1 12 12 ASP HA H 1 4.59 0.02 . 1 . . . . 12 ASP HA . 18029 1 28 . 1 1 12 12 ASP HB2 H 1 2.63 0.02 . 2 . . . . 12 ASP HB2 . 18029 1 29 . 1 1 12 12 ASP HB3 H 1 2.59 0.02 . 2 . . . . 12 ASP HB3 . 18029 1 30 . 1 1 12 12 ASP C C 13 176.1 0.3 . 1 . . . . 12 ASP C . 18029 1 31 . 1 1 12 12 ASP CA C 13 53.8 0.3 . 1 . . . . 12 ASP CA . 18029 1 32 . 1 1 12 12 ASP CB C 13 40.6 0.3 . 1 . . . . 12 ASP CB . 18029 1 33 . 1 1 12 12 ASP N N 15 121.9 0.3 . 1 . . . . 12 ASP N . 18029 1 34 . 1 1 13 13 THR H H 1 7.99 0.02 . 1 . . . . 13 THR H . 18029 1 35 . 1 1 13 13 THR HA H 1 4.23 0.02 . 1 . . . . 13 THR HA . 18029 1 36 . 1 1 13 13 THR HB H 1 4.13 0.02 . 1 . . . . 13 THR HB . 18029 1 37 . 1 1 13 13 THR C C 13 174.1 0.3 . 1 . . . . 13 THR C . 18029 1 38 . 1 1 13 13 THR CA C 13 61.3 0.3 . 1 . . . . 13 THR CA . 18029 1 39 . 1 1 13 13 THR CB C 13 69.3 0.3 . 1 . . . . 13 THR CB . 18029 1 40 . 1 1 13 13 THR CG2 C 13 21.1 0.3 . 1 . . . . 13 THR CG2 . 18029 1 41 . 1 1 13 13 THR N N 15 113.8 0.3 . 1 . . . . 13 THR N . 18029 1 42 . 1 1 14 14 LYS H H 1 8.30 0.02 . 1 . . . . 14 LYS H . 18029 1 43 . 1 1 14 14 LYS HA H 1 4.25 0.02 . 1 . . . . 14 LYS HA . 18029 1 44 . 1 1 14 14 LYS HB2 H 1 1.75 0.02 . 2 . . . . 14 LYS HB2 . 18029 1 45 . 1 1 14 14 LYS HB3 H 1 1.64 0.02 . 2 . . . . 14 LYS HB3 . 18029 1 46 . 1 1 14 14 LYS HG2 H 1 1.35 0.02 . 2 . . . . 14 LYS HG2 . 18029 1 47 . 1 1 14 14 LYS HG3 H 1 1.32 0.02 . 2 . . . . 14 LYS HG3 . 18029 1 48 . 1 1 14 14 LYS C C 13 176.0 0.3 . 1 . . . . 14 LYS C . 18029 1 49 . 1 1 14 14 LYS CA C 13 55.7 0.3 . 1 . . . . 14 LYS CA . 18029 1 50 . 1 1 14 14 LYS CB C 13 32.3 0.3 . 1 . . . . 14 LYS CB . 18029 1 51 . 1 1 14 14 LYS CG C 13 24.1 0.3 . 1 . . . . 14 LYS CG . 18029 1 52 . 1 1 14 14 LYS CD C 13 28.4 0.3 . 1 . . . . 14 LYS CD . 18029 1 53 . 1 1 14 14 LYS CE C 13 41.6 0.3 . 1 . . . . 14 LYS CE . 18029 1 54 . 1 1 14 14 LYS N N 15 123.1 0.3 . 1 . . . . 14 LYS N . 18029 1 55 . 1 1 15 15 PHE H H 1 8.29 0.02 . 1 . . . . 15 PHE H . 18029 1 56 . 1 1 15 15 PHE HA H 1 4.54 0.02 . 1 . . . . 15 PHE HA . 18029 1 57 . 1 1 15 15 PHE HB2 H 1 3.13 0.02 . 2 . . . . 15 PHE HB2 . 18029 1 58 . 1 1 15 15 PHE HB3 H 1 3.07 0.02 . 2 . . . . 15 PHE HB3 . 18029 1 59 . 1 1 15 15 PHE C C 13 175.3 0.3 . 1 . . . . 15 PHE C . 18029 1 60 . 1 1 15 15 PHE CA C 13 57.7 0.3 . 1 . . . . 15 PHE CA . 18029 1 61 . 1 1 15 15 PHE CB C 13 39.1 0.3 . 1 . . . . 15 PHE CB . 18029 1 62 . 1 1 15 15 PHE N N 15 121.3 0.3 . 1 . . . . 15 PHE N . 18029 1 63 . 1 1 16 16 ARG H H 1 8.21 0.02 . 1 . . . . 16 ARG H . 18029 1 64 . 1 1 16 16 ARG HA H 1 4.31 0.02 . 1 . . . . 16 ARG HA . 18029 1 65 . 1 1 16 16 ARG HB2 H 1 1.81 0.02 . 2 . . . . 16 ARG HB2 . 18029 1 66 . 1 1 16 16 ARG HB3 H 1 1.71 0.02 . 2 . . . . 16 ARG HB3 . 18029 1 67 . 1 1 16 16 ARG HG2 H 1 1.66 0.02 . 2 . . . . 16 ARG HG2 . 18029 1 68 . 1 1 16 16 ARG HG3 H 1 1.53 0.02 . 2 . . . . 16 ARG HG3 . 18029 1 69 . 1 1 16 16 ARG HD2 H 1 3.16 0.02 . 2 . . . . 16 ARG HD2 . 18029 1 70 . 1 1 16 16 ARG HD3 H 1 3.09 0.02 . 2 . . . . 16 ARG HD3 . 18029 1 71 . 1 1 16 16 ARG C C 13 175.7 0.3 . 1 . . . . 16 ARG C . 18029 1 72 . 1 1 16 16 ARG CA C 13 55.5 0.3 . 1 . . . . 16 ARG CA . 18029 1 73 . 1 1 16 16 ARG CB C 13 30.6 0.3 . 1 . . . . 16 ARG CB . 18029 1 74 . 1 1 16 16 ARG CG C 13 26.5 0.3 . 1 . . . . 16 ARG CG . 18029 1 75 . 1 1 16 16 ARG CD C 13 42.8 0.3 . 1 . . . . 16 ARG CD . 18029 1 76 . 1 1 16 16 ARG N N 15 121.3 0.3 . 1 . . . . 16 ARG N . 18029 1 77 . 1 1 17 17 GLU H H 1 8.50 0.02 . 1 . . . . 17 GLU H . 18029 1 78 . 1 1 17 17 GLU HA H 1 4.21 0.02 . 1 . . . . 17 GLU HA . 18029 1 79 . 1 1 17 17 GLU HB2 H 1 2.01 0.02 . 2 . . . . 17 GLU HB2 . 18029 1 80 . 1 1 17 17 GLU HB3 H 1 1.85 0.02 . 2 . . . . 17 GLU HB3 . 18029 1 81 . 1 1 17 17 GLU HG2 H 1 2.28 0.02 . 2 . . . . 17 GLU HG2 . 18029 1 82 . 1 1 17 17 GLU HG3 H 1 2.19 0.02 . 2 . . . . 17 GLU HG3 . 18029 1 83 . 1 1 17 17 GLU C C 13 176.0 0.3 . 1 . . . . 17 GLU C . 18029 1 84 . 1 1 17 17 GLU CA C 13 56.8 0.3 . 1 . . . . 17 GLU CA . 18029 1 85 . 1 1 17 17 GLU CB C 13 29.8 0.3 . 1 . . . . 17 GLU CB . 18029 1 86 . 1 1 17 17 GLU CG C 13 35.8 0.3 . 1 . . . . 17 GLU CG . 18029 1 87 . 1 1 17 17 GLU N N 15 121.3 0.3 . 1 . . . . 17 GLU N . 18029 1 88 . 1 1 18 18 ASP H H 1 8.82 0.02 . 1 . . . . 18 ASP H . 18029 1 89 . 1 1 18 18 ASP HA H 1 4.44 0.02 . 1 . . . . 18 ASP HA . 18029 1 90 . 1 1 18 18 ASP HB2 H 1 2.66 0.02 . 2 . . . . 18 ASP HB2 . 18029 1 91 . 1 1 18 18 ASP HB3 H 1 2.63 0.02 . 2 . . . . 18 ASP HB3 . 18029 1 92 . 1 1 18 18 ASP C C 13 174.4 0.3 . 1 . . . . 18 ASP C . 18029 1 93 . 1 1 18 18 ASP CA C 13 52.6 0.3 . 1 . . . . 18 ASP CA . 18029 1 94 . 1 1 18 18 ASP CB C 13 38.6 0.3 . 1 . . . . 18 ASP CB . 18029 1 95 . 1 1 18 18 ASP N N 15 119.7 0.3 . 1 . . . . 18 ASP N . 18029 1 96 . 1 1 19 19 CYS H H 1 7.52 0.02 . 1 . . . . 19 CYS H . 18029 1 97 . 1 1 19 19 CYS HA H 1 5.01 0.02 . 1 . . . . 19 CYS HA . 18029 1 98 . 1 1 19 19 CYS HB2 H 1 2.71 0.02 . 2 . . . . 19 CYS HB2 . 18029 1 99 . 1 1 19 19 CYS HB3 H 1 2.59 0.02 . 2 . . . . 19 CYS HB3 . 18029 1 100 . 1 1 19 19 CYS CA C 13 53.5 0.3 . 1 . . . . 19 CYS CA . 18029 1 101 . 1 1 19 19 CYS CB C 13 40.6 0.3 . 1 . . . . 19 CYS CB . 18029 1 102 . 1 1 19 19 CYS N N 15 115.7 0.3 . 1 . . . . 19 CYS N . 18029 1 103 . 1 1 22 22 ASP H H 1 8.59 0.02 . 1 . . . . 22 ASP H . 18029 1 104 . 1 1 22 22 ASP HA H 1 4.53 0.02 . 1 . . . . 22 ASP HA . 18029 1 105 . 1 1 22 22 ASP HB2 H 1 2.89 0.02 . 2 . . . . 22 ASP HB2 . 18029 1 106 . 1 1 22 22 ASP HB3 H 1 2.33 0.02 . 2 . . . . 22 ASP HB3 . 18029 1 107 . 1 1 22 22 ASP C C 13 175.4 0.3 . 1 . . . . 22 ASP C . 18029 1 108 . 1 1 22 22 ASP CA C 13 51.8 0.3 . 1 . . . . 22 ASP CA . 18029 1 109 . 1 1 22 22 ASP CB C 13 39.8 0.3 . 1 . . . . 22 ASP CB . 18029 1 110 . 1 1 22 22 ASP N N 15 124.4 0.3 . 1 . . . . 22 ASP N . 18029 1 111 . 1 1 23 23 ARG H H 1 8.33 0.02 . 1 . . . . 23 ARG H . 18029 1 112 . 1 1 23 23 ARG HA H 1 3.87 0.02 . 1 . . . . 23 ARG HA . 18029 1 113 . 1 1 23 23 ARG HB2 H 1 1.85 0.02 . 2 . . . . 23 ARG HB2 . 18029 1 114 . 1 1 23 23 ARG HB3 H 1 1.81 0.02 . 2 . . . . 23 ARG HB3 . 18029 1 115 . 1 1 23 23 ARG HG2 H 1 1.52 0.02 . 2 . . . . 23 ARG HG2 . 18029 1 116 . 1 1 23 23 ARG HG3 H 1 1.84 0.02 . 2 . . . . 23 ARG HG3 . 18029 1 117 . 1 1 23 23 ARG HD2 H 1 3.01 0.02 . 2 . . . . 23 ARG HD2 . 18029 1 118 . 1 1 23 23 ARG HD3 H 1 2.93 0.02 . 2 . . . . 23 ARG HD3 . 18029 1 119 . 1 1 23 23 ARG C C 13 179.3 0.3 . 1 . . . . 23 ARG C . 18029 1 120 . 1 1 23 23 ARG CA C 13 59.4 0.3 . 1 . . . . 23 ARG CA . 18029 1 121 . 1 1 23 23 ARG CB C 13 30.0 0.3 . 1 . . . . 23 ARG CB . 18029 1 122 . 1 1 23 23 ARG CG C 13 26.1 0.3 . 1 . . . . 23 ARG CG . 18029 1 123 . 1 1 23 23 ARG CD C 13 43.5 0.3 . 1 . . . . 23 ARG CD . 18029 1 124 . 1 1 23 23 ARG N N 15 116.9 0.3 . 1 . . . . 23 ARG N . 18029 1 125 . 1 1 24 24 GLU H H 1 8.01 0.02 . 1 . . . . 24 GLU H . 18029 1 126 . 1 1 24 24 GLU HA H 1 4.10 0.02 . 1 . . . . 24 GLU HA . 18029 1 127 . 1 1 24 24 GLU HB2 H 1 2.20 0.02 . 2 . . . . 24 GLU HB2 . 18029 1 128 . 1 1 24 24 GLU HB3 H 1 2.42 0.02 . 2 . . . . 24 GLU HB3 . 18029 1 129 . 1 1 24 24 GLU HG2 H 1 2.42 0.02 . 2 . . . . 24 GLU HG2 . 18029 1 130 . 1 1 24 24 GLU HG3 H 1 2.34 0.02 . 2 . . . . 24 GLU HG3 . 18029 1 131 . 1 1 24 24 GLU C C 13 177.5 0.3 . 1 . . . . 24 GLU C . 18029 1 132 . 1 1 24 24 GLU CA C 13 60.3 0.3 . 1 . . . . 24 GLU CA . 18029 1 133 . 1 1 24 24 GLU CB C 13 29.1 0.3 . 1 . . . . 24 GLU CB . 18029 1 134 . 1 1 24 24 GLU CG C 13 37.6 0.3 . 1 . . . . 24 GLU CG . 18029 1 135 . 1 1 24 24 GLU N N 15 120.3 0.3 . 1 . . . . 24 GLU N . 18029 1 136 . 1 1 25 25 GLU H H 1 8.91 0.02 . 1 . . . . 25 GLU H . 18029 1 137 . 1 1 25 25 GLU HA H 1 3.90 0.02 . 1 . . . . 25 GLU HA . 18029 1 138 . 1 1 25 25 GLU HB2 H 1 2.25 0.02 . 2 . . . . 25 GLU HB2 . 18029 1 139 . 1 1 25 25 GLU HB3 H 1 1.95 0.02 . 2 . . . . 25 GLU HB3 . 18029 1 140 . 1 1 25 25 GLU HG2 H 1 2.29 0.02 . 2 . . . . 25 GLU HG2 . 18029 1 141 . 1 1 25 25 GLU HG3 H 1 2.51 0.02 . 2 . . . . 25 GLU HG3 . 18029 1 142 . 1 1 25 25 GLU C C 13 178.9 0.3 . 1 . . . . 25 GLU C . 18029 1 143 . 1 1 25 25 GLU CA C 13 58.9 0.3 . 1 . . . . 25 GLU CA . 18029 1 144 . 1 1 25 25 GLU CB C 13 29.2 0.3 . 1 . . . . 25 GLU CB . 18029 1 145 . 1 1 25 25 GLU CG C 13 35.6 0.3 . 1 . . . . 25 GLU CG . 18029 1 146 . 1 1 25 25 GLU N N 15 121.0 0.3 . 1 . . . . 25 GLU N . 18029 1 147 . 1 1 26 26 LEU H H 1 9.44 0.02 . 1 . . . . 26 LEU H . 18029 1 148 . 1 1 26 26 LEU HA H 1 4.23 0.02 . 1 . . . . 26 LEU HA . 18029 1 149 . 1 1 26 26 LEU HB2 H 1 1.82 0.02 . 2 . . . . 26 LEU HB2 . 18029 1 150 . 1 1 26 26 LEU HB3 H 1 1.41 0.02 . 2 . . . . 26 LEU HB3 . 18029 1 151 . 1 1 26 26 LEU HG H 1 1.76 0.02 . 1 . . . . 26 LEU HG . 18029 1 152 . 1 1 26 26 LEU C C 13 180.2 0.3 . 1 . . . . 26 LEU C . 18029 1 153 . 1 1 26 26 LEU CA C 13 57.6 0.3 . 1 . . . . 26 LEU CA . 18029 1 154 . 1 1 26 26 LEU CB C 13 40.3 0.3 . 1 . . . . 26 LEU CB . 18029 1 155 . 1 1 26 26 LEU CG C 13 25.7 0.3 . 1 . . . . 26 LEU CG . 18029 1 156 . 1 1 26 26 LEU CD1 C 13 25.1 0.3 . 1 . . . . 26 LEU CD1 . 18029 1 157 . 1 1 26 26 LEU CD2 C 13 21.5 0.3 . 1 . . . . 26 LEU CD2 . 18029 1 158 . 1 1 26 26 LEU N N 15 118.2 0.3 . 1 . . . . 26 LEU N . 18029 1 159 . 1 1 27 27 GLY H H 1 7.99 0.02 . 1 . . . . 27 GLY H . 18029 1 160 . 1 1 27 27 GLY HA2 H 1 4.03 0.02 . 2 . . . . 27 GLY HA2 . 18029 1 161 . 1 1 27 27 GLY HA3 H 1 3.97 0.02 . 2 . . . . 27 GLY HA3 . 18029 1 162 . 1 1 27 27 GLY C C 13 173.9 0.3 . 1 . . . . 27 GLY C . 18029 1 163 . 1 1 27 27 GLY CA C 13 47.7 0.3 . 1 . . . . 27 GLY CA . 18029 1 164 . 1 1 27 27 GLY N N 15 109.8 0.3 . 1 . . . . 27 GLY N . 18029 1 165 . 1 1 28 28 ARG H H 1 8.24 0.02 . 1 . . . . 28 ARG H . 18029 1 166 . 1 1 28 28 ARG HA H 1 4.53 0.02 . 1 . . . . 28 ARG HA . 18029 1 167 . 1 1 28 28 ARG HB2 H 1 1.90 0.02 . 2 . . . . 28 ARG HB2 . 18029 1 168 . 1 1 28 28 ARG HB3 H 1 2.01 0.02 . 2 . . . . 28 ARG HB3 . 18029 1 169 . 1 1 28 28 ARG HG2 H 1 1.69 0.02 . 2 . . . . 28 ARG HG2 . 18029 1 170 . 1 1 28 28 ARG HG3 H 1 1.66 0.02 . 2 . . . . 28 ARG HG3 . 18029 1 171 . 1 1 28 28 ARG HD2 H 1 3.35 0.02 . 2 . . . . 28 ARG HD2 . 18029 1 172 . 1 1 28 28 ARG HD3 H 1 3.33 0.02 . 2 . . . . 28 ARG HD3 . 18029 1 173 . 1 1 28 28 ARG C C 13 181.0 0.3 . 1 . . . . 28 ARG C . 18029 1 174 . 1 1 28 28 ARG CA C 13 60.3 0.3 . 1 . . . . 28 ARG CA . 18029 1 175 . 1 1 28 28 ARG CB C 13 30.5 0.3 . 1 . . . . 28 ARG CB . 18029 1 176 . 1 1 28 28 ARG CG C 13 28.8 0.3 . 1 . . . . 28 ARG CG . 18029 1 177 . 1 1 28 28 ARG CD C 13 43.6 0.3 . 1 . . . . 28 ARG CD . 18029 1 178 . 1 1 28 28 ARG N N 15 121.5 0.3 . 1 . . . . 28 ARG N . 18029 1 179 . 1 1 29 29 HIS H H 1 8.52 0.02 . 1 . . . . 29 HIS H . 18029 1 180 . 1 1 29 29 HIS HA H 1 4.64 0.02 . 1 . . . . 29 HIS HA . 18029 1 181 . 1 1 29 29 HIS HB2 H 1 3.33 0.02 . 2 . . . . 29 HIS HB2 . 18029 1 182 . 1 1 29 29 HIS HB3 H 1 3.57 0.02 . 2 . . . . 29 HIS HB3 . 18029 1 183 . 1 1 29 29 HIS C C 13 177.3 0.3 . 1 . . . . 29 HIS C . 18029 1 184 . 1 1 29 29 HIS CA C 13 59.1 0.3 . 1 . . . . 29 HIS CA . 18029 1 185 . 1 1 29 29 HIS CB C 13 29.8 0.3 . 1 . . . . 29 HIS CB . 18029 1 186 . 1 1 29 29 HIS N N 15 116.8 0.3 . 1 . . . . 29 HIS N . 18029 1 187 . 1 1 30 30 SER H H 1 8.66 0.02 . 1 . . . . 30 SER H . 18029 1 188 . 1 1 30 30 SER HA H 1 4.06 0.02 . 1 . . . . 30 SER HA . 18029 1 189 . 1 1 30 30 SER HB2 H 1 3.34 0.02 . 2 . . . . 30 SER HB2 . 18029 1 190 . 1 1 30 30 SER HB3 H 1 3.30 0.02 . 2 . . . . 30 SER HB3 . 18029 1 191 . 1 1 30 30 SER CA C 13 62.8 0.3 . 1 . . . . 30 SER CA . 18029 1 192 . 1 1 30 30 SER CB C 13 63.1 0.3 . 1 . . . . 30 SER CB . 18029 1 193 . 1 1 30 30 SER N N 15 114.9 0.3 . 1 . . . . 30 SER N . 18029 1 194 . 1 1 31 31 TRP H H 1 9.28 0.02 . 1 . . . . 31 TRP H . 18029 1 195 . 1 1 31 31 TRP HA H 1 4.13 0.02 . 1 . . . . 31 TRP HA . 18029 1 196 . 1 1 31 31 TRP HB2 H 1 2.93 0.02 . 2 . . . . 31 TRP HB2 . 18029 1 197 . 1 1 31 31 TRP HB3 H 1 2.87 0.02 . 2 . . . . 31 TRP HB3 . 18029 1 198 . 1 1 31 31 TRP C C 13 177.2 0.3 . 1 . . . . 31 TRP C . 18029 1 199 . 1 1 31 31 TRP CA C 13 59.3 0.3 . 1 . . . . 31 TRP CA . 18029 1 200 . 1 1 31 31 TRP CB C 13 28.7 0.3 . 1 . . . . 31 TRP CB . 18029 1 201 . 1 1 31 31 TRP N N 15 121.2 0.3 . 1 . . . . 31 TRP N . 18029 1 202 . 1 1 32 32 ALA H H 1 7.65 0.02 . 1 . . . . 32 ALA H . 18029 1 203 . 1 1 32 32 ALA HA H 1 3.77 0.02 . 1 . . . . 32 ALA HA . 18029 1 204 . 1 1 32 32 ALA C C 13 180.5 0.3 . 1 . . . . 32 ALA C . 18029 1 205 . 1 1 32 32 ALA CA C 13 54.4 0.3 . 1 . . . . 32 ALA CA . 18029 1 206 . 1 1 32 32 ALA CB C 13 16.0 0.3 . 1 . . . . 32 ALA CB . 18029 1 207 . 1 1 32 32 ALA N N 15 118.6 0.3 . 1 . . . . 32 ALA N . 18029 1 208 . 1 1 33 33 VAL H H 1 7.88 0.02 . 1 . . . . 33 VAL H . 18029 1 209 . 1 1 33 33 VAL HA H 1 3.32 0.02 . 1 . . . . 33 VAL HA . 18029 1 210 . 1 1 33 33 VAL HB H 1 2.20 0.02 . 1 . . . . 33 VAL HB . 18029 1 211 . 1 1 33 33 VAL C C 13 176.8 0.3 . 1 . . . . 33 VAL C . 18029 1 212 . 1 1 33 33 VAL CA C 13 67.1 0.3 . 1 . . . . 33 VAL CA . 18029 1 213 . 1 1 33 33 VAL CB C 13 31.4 0.3 . 1 . . . . 33 VAL CB . 18029 1 214 . 1 1 33 33 VAL CG1 C 13 24.0 0.3 . 1 . . . . 33 VAL CG1 . 18029 1 215 . 1 1 33 33 VAL CG2 C 13 20.6 0.3 . 1 . . . . 33 VAL CG2 . 18029 1 216 . 1 1 33 33 VAL N N 15 119.0 0.3 . 1 . . . . 33 VAL N . 18029 1 217 . 1 1 34 34 LEU H H 1 8.42 0.02 . 1 . . . . 34 LEU H . 18029 1 218 . 1 1 34 34 LEU HA H 1 3.60 0.02 . 1 . . . . 34 LEU HA . 18029 1 219 . 1 1 34 34 LEU HB2 H 1 1.26 0.02 . 2 . . . . 34 LEU HB2 . 18029 1 220 . 1 1 34 34 LEU HB3 H 1 0.83 0.02 . 2 . . . . 34 LEU HB3 . 18029 1 221 . 1 1 34 34 LEU HG H 1 1.27 0.02 . 1 . . . . 34 LEU HG . 18029 1 222 . 1 1 34 34 LEU C C 13 178.0 0.3 . 1 . . . . 34 LEU C . 18029 1 223 . 1 1 34 34 LEU CA C 13 58.2 0.3 . 1 . . . . 34 LEU CA . 18029 1 224 . 1 1 34 34 LEU CB C 13 40.9 0.3 . 1 . . . . 34 LEU CB . 18029 1 225 . 1 1 34 34 LEU CG C 13 25.5 0.3 . 1 . . . . 34 LEU CG . 18029 1 226 . 1 1 34 34 LEU CD1 C 13 23.3 0.3 . 1 . . . . 34 LEU CD1 . 18029 1 227 . 1 1 34 34 LEU CD2 C 13 20.5 0.3 . 1 . . . . 34 LEU CD2 . 18029 1 228 . 1 1 34 34 LEU N N 15 117.9 0.3 . 1 . . . . 34 LEU N . 18029 1 229 . 1 1 35 35 HIS H H 1 8.66 0.02 . 1 . . . . 35 HIS H . 18029 1 230 . 1 1 35 35 HIS HA H 1 3.59 0.02 . 1 . . . . 35 HIS HA . 18029 1 231 . 1 1 35 35 HIS HB2 H 1 1.47 0.02 . 2 . . . . 35 HIS HB2 . 18029 1 232 . 1 1 35 35 HIS HB3 H 1 1.44 0.02 . 2 . . . . 35 HIS HB3 . 18029 1 233 . 1 1 35 35 HIS C C 13 178.7 0.3 . 1 . . . . 35 HIS C . 18029 1 234 . 1 1 35 35 HIS CA C 13 58.9 0.3 . 1 . . . . 35 HIS CA . 18029 1 235 . 1 1 35 35 HIS CB C 13 24.1 0.3 . 1 . . . . 35 HIS CB . 18029 1 236 . 1 1 35 35 HIS N N 15 113.2 0.3 . 1 . . . . 35 HIS N . 18029 1 237 . 1 1 36 36 THR H H 1 7.60 0.02 . 1 . . . . 36 THR H . 18029 1 238 . 1 1 36 36 THR HA H 1 4.09 0.02 . 1 . . . . 36 THR HA . 18029 1 239 . 1 1 36 36 THR HB H 1 4.04 0.02 . 1 . . . . 36 THR HB . 18029 1 240 . 1 1 36 36 THR CA C 13 66.7 0.3 . 1 . . . . 36 THR CA . 18029 1 241 . 1 1 36 36 THR CB C 13 68.0 0.3 . 1 . . . . 36 THR CB . 18029 1 242 . 1 1 36 36 THR CG2 C 13 22.5 0.3 . 1 . . . . 36 THR CG2 . 18029 1 243 . 1 1 36 36 THR N N 15 118.1 0.3 . 1 . . . . 36 THR N . 18029 1 244 . 1 1 37 37 LEU H H 1 8.43 0.02 . 1 . . . . 37 LEU H . 18029 1 245 . 1 1 37 37 LEU HA H 1 3.66 0.02 . 1 . . . . 37 LEU HA . 18029 1 246 . 1 1 37 37 LEU HB2 H 1 1.05 0.02 . 2 . . . . 37 LEU HB2 . 18029 1 247 . 1 1 37 37 LEU HB3 H 1 1.72 0.02 . 2 . . . . 37 LEU HB3 . 18029 1 248 . 1 1 37 37 LEU HG H 1 1.67 0.02 . 1 . . . . 37 LEU HG . 18029 1 249 . 1 1 37 37 LEU C C 13 180.1 0.3 . 1 . . . . 37 LEU C . 18029 1 250 . 1 1 37 37 LEU CA C 13 59.2 0.3 . 1 . . . . 37 LEU CA . 18029 1 251 . 1 1 37 37 LEU CB C 13 40.0 0.3 . 1 . . . . 37 LEU CB . 18029 1 252 . 1 1 37 37 LEU CG C 13 28.5 0.3 . 1 . . . . 37 LEU CG . 18029 1 253 . 1 1 37 37 LEU CD1 C 13 24.0 0.3 . 1 . . . . 37 LEU CD1 . 18029 1 254 . 1 1 37 37 LEU CD2 C 13 23.5 0.3 . 1 . . . . 37 LEU CD2 . 18029 1 255 . 1 1 37 37 LEU N N 15 122.1 0.3 . 1 . . . . 37 LEU N . 18029 1 256 . 1 1 38 38 ALA H H 1 7.64 0.02 . 1 . . . . 38 ALA H . 18029 1 257 . 1 1 38 38 ALA HA H 1 3.86 0.02 . 1 . . . . 38 ALA HA . 18029 1 258 . 1 1 38 38 ALA C C 13 176.8 0.3 . 1 . . . . 38 ALA C . 18029 1 259 . 1 1 38 38 ALA CA C 13 54.4 0.3 . 1 . . . . 38 ALA CA . 18029 1 260 . 1 1 38 38 ALA CB C 13 18.6 0.3 . 1 . . . . 38 ALA CB . 18029 1 261 . 1 1 38 38 ALA N N 15 117.5 0.3 . 1 . . . . 38 ALA N . 18029 1 262 . 1 1 39 39 ALA H H 1 7.54 0.02 . 1 . . . . 39 ALA H . 18029 1 263 . 1 1 39 39 ALA HA H 1 3.63 0.02 . 1 . . . . 39 ALA HA . 18029 1 264 . 1 1 39 39 ALA C C 13 178.6 0.3 . 1 . . . . 39 ALA C . 18029 1 265 . 1 1 39 39 ALA CA C 13 54.1 0.3 . 1 . . . . 39 ALA CA . 18029 1 266 . 1 1 39 39 ALA CB C 13 18.8 0.3 . 1 . . . . 39 ALA CB . 18029 1 267 . 1 1 39 39 ALA N N 15 116.6 0.3 . 1 . . . . 39 ALA N . 18029 1 268 . 1 1 40 40 TYR H H 1 7.03 0.02 . 1 . . . . 40 TYR H . 18029 1 269 . 1 1 40 40 TYR HA H 1 4.28 0.02 . 1 . . . . 40 TYR HA . 18029 1 270 . 1 1 40 40 TYR HB2 H 1 3.35 0.02 . 2 . . . . 40 TYR HB2 . 18029 1 271 . 1 1 40 40 TYR HB3 H 1 2.36 0.02 . 2 . . . . 40 TYR HB3 . 18029 1 272 . 1 1 40 40 TYR C C 13 173.3 0.3 . 1 . . . . 40 TYR C . 18029 1 273 . 1 1 40 40 TYR CA C 13 58.0 0.3 . 1 . . . . 40 TYR CA . 18029 1 274 . 1 1 40 40 TYR CB C 13 38.8 0.3 . 1 . . . . 40 TYR CB . 18029 1 275 . 1 1 40 40 TYR N N 15 112.6 0.3 . 1 . . . . 40 TYR N . 18029 1 276 . 1 1 41 41 TYR H H 1 7.30 0.02 . 1 . . . . 41 TYR H . 18029 1 277 . 1 1 41 41 TYR HA H 1 4.74 0.02 . 1 . . . . 41 TYR HA . 18029 1 278 . 1 1 41 41 TYR HB2 H 1 3.10 0.02 . 2 . . . . 41 TYR HB2 . 18029 1 279 . 1 1 41 41 TYR HB3 H 1 3.06 0.02 . 2 . . . . 41 TYR HB3 . 18029 1 280 . 1 1 41 41 TYR C C 13 172.5 0.3 . 1 . . . . 41 TYR C . 18029 1 281 . 1 1 41 41 TYR CA C 13 55.1 0.3 . 1 . . . . 41 TYR CA . 18029 1 282 . 1 1 41 41 TYR CB C 13 39.7 0.3 . 1 . . . . 41 TYR CB . 18029 1 283 . 1 1 41 41 TYR N N 15 127.1 0.3 . 1 . . . . 41 TYR N . 18029 1 284 . 1 1 43 43 ASP H H 1 8.09 0.02 . 1 . . . . 43 ASP H . 18029 1 285 . 1 1 43 43 ASP HA H 1 4.45 0.02 . 1 . . . . 43 ASP HA . 18029 1 286 . 1 1 43 43 ASP HB2 H 1 2.61 0.02 . 2 . . . . 43 ASP HB2 . 18029 1 287 . 1 1 43 43 ASP HB3 H 1 2.44 0.02 . 2 . . . . 43 ASP HB3 . 18029 1 288 . 1 1 43 43 ASP C C 13 177.2 0.3 . 1 . . . . 43 ASP C . 18029 1 289 . 1 1 43 43 ASP CA C 13 58.0 0.3 . 1 . . . . 43 ASP CA . 18029 1 290 . 1 1 43 43 ASP CB C 13 40.4 0.3 . 1 . . . . 43 ASP CB . 18029 1 291 . 1 1 43 43 ASP N N 15 119.8 0.3 . 1 . . . . 43 ASP N . 18029 1 292 . 1 1 44 44 LEU H H 1 8.01 0.02 . 1 . . . . 44 LEU H . 18029 1 293 . 1 1 44 44 LEU HA H 1 4.98 0.02 . 1 . . . . 44 LEU HA . 18029 1 294 . 1 1 44 44 LEU HB2 H 1 1.48 0.02 . 2 . . . . 44 LEU HB2 . 18029 1 295 . 1 1 44 44 LEU HB3 H 1 1.44 0.02 . 2 . . . . 44 LEU HB3 . 18029 1 296 . 1 1 44 44 LEU HG H 1 1.36 0.02 . 1 . . . . 44 LEU HG . 18029 1 297 . 1 1 44 44 LEU C C 13 173.3 0.3 . 1 . . . . 44 LEU C . 18029 1 298 . 1 1 44 44 LEU CA C 13 50.5 0.3 . 1 . . . . 44 LEU CA . 18029 1 299 . 1 1 44 44 LEU CB C 13 41.0 0.3 . 1 . . . . 44 LEU CB . 18029 1 300 . 1 1 44 44 LEU CG C 13 25.8 0.3 . 1 . . . . 44 LEU CG . 18029 1 301 . 1 1 44 44 LEU CD1 C 13 24.5 0.3 . 1 . . . . 44 LEU CD1 . 18029 1 302 . 1 1 44 44 LEU CD2 C 13 23.4 0.3 . 1 . . . . 44 LEU CD2 . 18029 1 303 . 1 1 44 44 LEU N N 15 118.0 0.3 . 1 . . . . 44 LEU N . 18029 1 304 . 1 1 46 46 THR H H 1 9.05 0.02 . 1 . . . . 46 THR H . 18029 1 305 . 1 1 46 46 THR HA H 1 4.52 0.02 . 1 . . . . 46 THR HA . 18029 1 306 . 1 1 46 46 THR HB H 1 4.72 0.02 . 1 . . . . 46 THR HB . 18029 1 307 . 1 1 46 46 THR C C 13 173.9 0.3 . 1 . . . . 46 THR C . 18029 1 308 . 1 1 46 46 THR CA C 13 59.9 0.3 . 1 . . . . 46 THR CA . 18029 1 309 . 1 1 46 46 THR CB C 13 67.6 0.3 . 1 . . . . 46 THR CB . 18029 1 310 . 1 1 46 46 THR CG2 C 13 21.4 0.3 . 1 . . . . 46 THR CG2 . 18029 1 311 . 1 1 46 46 THR N N 15 114.7 0.3 . 1 . . . . 46 THR N . 18029 1 312 . 1 1 48 48 GLU H H 1 8.34 0.02 . 1 . . . . 48 GLU H . 18029 1 313 . 1 1 48 48 GLU HA H 1 3.88 0.02 . 1 . . . . 48 GLU HA . 18029 1 314 . 1 1 48 48 GLU HB2 H 1 1.94 0.02 . 2 . . . . 48 GLU HB2 . 18029 1 315 . 1 1 48 48 GLU HB3 H 1 1.81 0.02 . 2 . . . . 48 GLU HB3 . 18029 1 316 . 1 1 48 48 GLU HG2 H 1 2.21 0.02 . 2 . . . . 48 GLU HG2 . 18029 1 317 . 1 1 48 48 GLU HG3 H 1 2.14 0.02 . 2 . . . . 48 GLU HG3 . 18029 1 318 . 1 1 48 48 GLU C C 13 178.1 0.3 . 1 . . . . 48 GLU C . 18029 1 319 . 1 1 48 48 GLU CA C 13 59.6 0.3 . 1 . . . . 48 GLU CA . 18029 1 320 . 1 1 48 48 GLU CB C 13 28.4 0.3 . 1 . . . . 48 GLU CB . 18029 1 321 . 1 1 48 48 GLU CG C 13 36.3 0.3 . 1 . . . . 48 GLU CG . 18029 1 322 . 1 1 48 48 GLU N N 15 117.2 0.3 . 1 . . . . 48 GLU N . 18029 1 323 . 1 1 49 49 GLN H H 1 7.77 0.02 . 1 . . . . 49 GLN H . 18029 1 324 . 1 1 49 49 GLN HA H 1 4.22 0.02 . 1 . . . . 49 GLN HA . 18029 1 325 . 1 1 49 49 GLN HB2 H 1 1.71 0.02 . 2 . . . . 49 GLN HB2 . 18029 1 326 . 1 1 49 49 GLN HB3 H 1 1.73 0.02 . 2 . . . . 49 GLN HB3 . 18029 1 327 . 1 1 49 49 GLN HG2 H 1 2.50 0.02 . 2 . . . . 49 GLN HG2 . 18029 1 328 . 1 1 49 49 GLN HG3 H 1 2.46 0.02 . 2 . . . . 49 GLN HG3 . 18029 1 329 . 1 1 49 49 GLN C C 13 178.2 0.3 . 1 . . . . 49 GLN C . 18029 1 330 . 1 1 49 49 GLN CA C 13 59.3 0.3 . 1 . . . . 49 GLN CA . 18029 1 331 . 1 1 49 49 GLN CB C 13 28.6 0.3 . 1 . . . . 49 GLN CB . 18029 1 332 . 1 1 49 49 GLN CG C 13 34.6 0.3 . 1 . . . . 49 GLN CG . 18029 1 333 . 1 1 49 49 GLN N N 15 119.3 0.3 . 1 . . . . 49 GLN N . 18029 1 334 . 1 1 50 50 GLN H H 1 8.29 0.02 . 1 . . . . 50 GLN H . 18029 1 335 . 1 1 50 50 GLN HA H 1 4.14 0.02 . 1 . . . . 50 GLN HA . 18029 1 336 . 1 1 50 50 GLN HB2 H 1 2.05 0.02 . 2 . . . . 50 GLN HB2 . 18029 1 337 . 1 1 50 50 GLN HB3 H 1 1.95 0.02 . 2 . . . . 50 GLN HB3 . 18029 1 338 . 1 1 50 50 GLN HG2 H 1 2.29 0.02 . 2 . . . . 50 GLN HG2 . 18029 1 339 . 1 1 50 50 GLN HG3 H 1 2.21 0.02 . 2 . . . . 50 GLN HG3 . 18029 1 340 . 1 1 50 50 GLN C C 13 180.3 0.3 . 1 . . . . 50 GLN C . 18029 1 341 . 1 1 50 50 GLN CA C 13 58.3 0.3 . 1 . . . . 50 GLN CA . 18029 1 342 . 1 1 50 50 GLN CB C 13 28.2 0.3 . 1 . . . . 50 GLN CB . 18029 1 343 . 1 1 50 50 GLN CG C 13 35.3 0.3 . 1 . . . . 50 GLN CG . 18029 1 344 . 1 1 50 50 GLN N N 15 117.5 0.3 . 1 . . . . 50 GLN N . 18029 1 345 . 1 1 51 51 GLN H H 1 7.88 0.02 . 1 . . . . 51 GLN H . 18029 1 346 . 1 1 51 51 GLN HA H 1 4.02 0.02 . 1 . . . . 51 GLN HA . 18029 1 347 . 1 1 51 51 GLN HB2 H 1 2.11 0.02 . 2 . . . . 51 GLN HB2 . 18029 1 348 . 1 1 51 51 GLN HB3 H 1 2.07 0.02 . 2 . . . . 51 GLN HB3 . 18029 1 349 . 1 1 51 51 GLN HG2 H 1 2.37 0.02 . 2 . . . . 51 GLN HG2 . 18029 1 350 . 1 1 51 51 GLN HG3 H 1 2.35 0.02 . 2 . . . . 51 GLN HG3 . 18029 1 351 . 1 1 51 51 GLN C C 13 178.4 0.3 . 1 . . . . 51 GLN C . 18029 1 352 . 1 1 51 51 GLN CA C 13 57.9 0.3 . 1 . . . . 51 GLN CA . 18029 1 353 . 1 1 51 51 GLN CB C 13 27.9 0.3 . 1 . . . . 51 GLN CB . 18029 1 354 . 1 1 51 51 GLN CG C 13 33.2 0.3 . 1 . . . . 51 GLN CG . 18029 1 355 . 1 1 51 51 GLN N N 15 120.3 0.3 . 1 . . . . 51 GLN N . 18029 1 356 . 1 1 52 52 ASP H H 1 8.93 0.02 . 1 . . . . 52 ASP H . 18029 1 357 . 1 1 52 52 ASP HA H 1 4.47 0.02 . 1 . . . . 52 ASP HA . 18029 1 358 . 1 1 52 52 ASP HB2 H 1 3.08 0.02 . 2 . . . . 52 ASP HB2 . 18029 1 359 . 1 1 52 52 ASP HB3 H 1 2.63 0.02 . 2 . . . . 52 ASP HB3 . 18029 1 360 . 1 1 52 52 ASP C C 13 178.2 0.3 . 1 . . . . 52 ASP C . 18029 1 361 . 1 1 52 52 ASP CA C 13 56.8 0.3 . 1 . . . . 52 ASP CA . 18029 1 362 . 1 1 52 52 ASP CB C 13 39.7 0.3 . 1 . . . . 52 ASP CB . 18029 1 363 . 1 1 52 52 ASP N N 15 122.6 0.3 . 1 . . . . 52 ASP N . 18029 1 364 . 1 1 53 53 MET H H 1 8.72 0.02 . 1 . . . . 53 MET H . 18029 1 365 . 1 1 53 53 MET HA H 1 4.38 0.02 . 1 . . . . 53 MET HA . 18029 1 366 . 1 1 53 53 MET HB2 H 1 1.41 0.02 . 2 . . . . 53 MET HB2 . 18029 1 367 . 1 1 53 53 MET HB3 H 1 1.33 0.02 . 2 . . . . 53 MET HB3 . 18029 1 368 . 1 1 53 53 MET HG2 H 1 1.69 0.02 . 2 . . . . 53 MET HG2 . 18029 1 369 . 1 1 53 53 MET HG3 H 1 1.75 0.02 . 2 . . . . 53 MET HG3 . 18029 1 370 . 1 1 53 53 MET C C 13 177.2 0.3 . 1 . . . . 53 MET C . 18029 1 371 . 1 1 53 53 MET CA C 13 56.3 0.3 . 1 . . . . 53 MET CA . 18029 1 372 . 1 1 53 53 MET CB C 13 29.2 0.3 . 1 . . . . 53 MET CB . 18029 1 373 . 1 1 53 53 MET CG C 13 32.3 0.3 . 1 . . . . 53 MET CG . 18029 1 374 . 1 1 53 53 MET N N 15 119.3 0.3 . 1 . . . . 53 MET N . 18029 1 375 . 1 1 54 54 ALA H H 1 7.27 0.02 . 1 . . . . 54 ALA H . 18029 1 376 . 1 1 54 54 ALA HA H 1 3.47 0.02 . 1 . . . . 54 ALA HA . 18029 1 377 . 1 1 54 54 ALA C C 13 179.0 0.3 . 1 . . . . 54 ALA C . 18029 1 378 . 1 1 54 54 ALA CA C 13 55.0 0.3 . 1 . . . . 54 ALA CA . 18029 1 379 . 1 1 54 54 ALA CB C 13 16.6 0.3 . 1 . . . . 54 ALA CB . 18029 1 380 . 1 1 54 54 ALA N N 15 121.1 0.3 . 1 . . . . 54 ALA N . 18029 1 381 . 1 1 55 55 GLN H H 1 8.27 0.02 . 1 . . . . 55 GLN H . 18029 1 382 . 1 1 55 55 GLN HA H 1 4.28 0.02 . 1 . . . . 55 GLN HA . 18029 1 383 . 1 1 55 55 GLN HB2 H 1 2.16 0.02 . 2 . . . . 55 GLN HB2 . 18029 1 384 . 1 1 55 55 GLN HB3 H 1 2.25 0.02 . 2 . . . . 55 GLN HB3 . 18029 1 385 . 1 1 55 55 GLN HG2 H 1 2.42 0.02 . 2 . . . . 55 GLN HG2 . 18029 1 386 . 1 1 55 55 GLN HG3 H 1 2.38 0.02 . 2 . . . . 55 GLN HG3 . 18029 1 387 . 1 1 55 55 GLN C C 13 177.5 0.3 . 1 . . . . 55 GLN C . 18029 1 388 . 1 1 55 55 GLN CA C 13 58.2 0.3 . 1 . . . . 55 GLN CA . 18029 1 389 . 1 1 55 55 GLN CB C 13 27.2 0.3 . 1 . . . . 55 GLN CB . 18029 1 390 . 1 1 55 55 GLN CG C 13 32.5 0.3 . 1 . . . . 55 GLN CG . 18029 1 391 . 1 1 55 55 GLN N N 15 117.9 0.3 . 1 . . . . 55 GLN N . 18029 1 392 . 1 1 56 56 PHE H H 1 8.86 0.02 . 1 . . . . 56 PHE H . 18029 1 393 . 1 1 56 56 PHE HA H 1 4.07 0.02 . 1 . . . . 56 PHE HA . 18029 1 394 . 1 1 56 56 PHE HB2 H 1 3.59 0.02 . 2 . . . . 56 PHE HB2 . 18029 1 395 . 1 1 56 56 PHE HB3 H 1 3.20 0.02 . 2 . . . . 56 PHE HB3 . 18029 1 396 . 1 1 56 56 PHE C C 13 176.2 0.3 . 1 . . . . 56 PHE C . 18029 1 397 . 1 1 56 56 PHE CA C 13 62.6 0.3 . 1 . . . . 56 PHE CA . 18029 1 398 . 1 1 56 56 PHE CB C 13 38.3 0.3 . 1 . . . . 56 PHE CB . 18029 1 399 . 1 1 56 56 PHE N N 15 121.6 0.3 . 1 . . . . 56 PHE N . 18029 1 400 . 1 1 57 57 ILE H H 1 7.68 0.02 . 1 . . . . 57 ILE H . 18029 1 401 . 1 1 57 57 ILE HA H 1 3.56 0.02 . 1 . . . . 57 ILE HA . 18029 1 402 . 1 1 57 57 ILE HB H 1 2.05 0.02 . 1 . . . . 57 ILE HB . 18029 1 403 . 1 1 57 57 ILE HG12 H 1 1.91 0.02 . 2 . . . . 57 ILE HG12 . 18029 1 404 . 1 1 57 57 ILE HG13 H 1 1.33 0.02 . 2 . . . . 57 ILE HG13 . 18029 1 405 . 1 1 57 57 ILE C C 13 177.8 0.3 . 1 . . . . 57 ILE C . 18029 1 406 . 1 1 57 57 ILE CA C 13 61.4 0.3 . 1 . . . . 57 ILE CA . 18029 1 407 . 1 1 57 57 ILE CB C 13 34.8 0.3 . 1 . . . . 57 ILE CB . 18029 1 408 . 1 1 57 57 ILE CG1 C 13 26.6 0.3 . 1 . . . . 57 ILE CG1 . 18029 1 409 . 1 1 57 57 ILE CG2 C 13 17.0 0.3 . 1 . . . . 57 ILE CG2 . 18029 1 410 . 1 1 57 57 ILE CD1 C 13 8.6 0.3 . 1 . . . . 57 ILE CD1 . 18029 1 411 . 1 1 57 57 ILE N N 15 117.4 0.3 . 1 . . . . 57 ILE N . 18029 1 412 . 1 1 58 58 HIS H H 1 8.04 0.02 . 1 . . . . 58 HIS H . 18029 1 413 . 1 1 58 58 HIS HA H 1 4.09 0.02 . 1 . . . . 58 HIS HA . 18029 1 414 . 1 1 58 58 HIS HB2 H 1 3.13 0.02 . 2 . . . . 58 HIS HB2 . 18029 1 415 . 1 1 58 58 HIS HB3 H 1 3.00 0.02 . 2 . . . . 58 HIS HB3 . 18029 1 416 . 1 1 58 58 HIS C C 13 180.0 0.3 . 1 . . . . 58 HIS C . 18029 1 417 . 1 1 58 58 HIS CA C 13 60.2 0.3 . 1 . . . . 58 HIS CA . 18029 1 418 . 1 1 58 58 HIS CB C 13 29.8 0.3 . 1 . . . . 58 HIS CB . 18029 1 419 . 1 1 58 58 HIS N N 15 119.2 0.3 . 1 . . . . 58 HIS N . 18029 1 420 . 1 1 59 59 LEU H H 1 9.37 0.02 . 1 . . . . 59 LEU H . 18029 1 421 . 1 1 59 59 LEU HA H 1 3.74 0.02 . 1 . . . . 59 LEU HA . 18029 1 422 . 1 1 59 59 LEU HB2 H 1 1.32 0.02 . 2 . . . . 59 LEU HB2 . 18029 1 423 . 1 1 59 59 LEU HB3 H 1 1.29 0.02 . 2 . . . . 59 LEU HB3 . 18029 1 424 . 1 1 59 59 LEU HG H 1 1.10 0.02 . 1 . . . . 59 LEU HG . 18029 1 425 . 1 1 59 59 LEU C C 13 178.4 0.3 . 1 . . . . 59 LEU C . 18029 1 426 . 1 1 59 59 LEU CA C 13 57.9 0.3 . 1 . . . . 59 LEU CA . 18029 1 427 . 1 1 59 59 LEU CB C 13 42.5 0.3 . 1 . . . . 59 LEU CB . 18029 1 428 . 1 1 59 59 LEU CG C 13 25.5 0.3 . 1 . . . . 59 LEU CG . 18029 1 429 . 1 1 59 59 LEU CD1 C 13 22.0 0.3 . 1 . . . . 59 LEU CD1 . 18029 1 430 . 1 1 59 59 LEU CD2 C 13 21.4 0.3 . 1 . . . . 59 LEU CD2 . 18029 1 431 . 1 1 59 59 LEU N N 15 121.6 0.3 . 1 . . . . 59 LEU N . 18029 1 432 . 1 1 60 60 PHE H H 1 8.58 0.02 . 1 . . . . 60 PHE H . 18029 1 433 . 1 1 60 60 PHE HA H 1 3.47 0.02 . 1 . . . . 60 PHE HA . 18029 1 434 . 1 1 60 60 PHE HB2 H 1 3.10 0.02 . 2 . . . . 60 PHE HB2 . 18029 1 435 . 1 1 60 60 PHE HB3 H 1 2.76 0.02 . 2 . . . . 60 PHE HB3 . 18029 1 436 . 1 1 60 60 PHE C C 13 177.0 0.3 . 1 . . . . 60 PHE C . 18029 1 437 . 1 1 60 60 PHE CA C 13 61.8 0.3 . 1 . . . . 60 PHE CA . 18029 1 438 . 1 1 60 60 PHE CB C 13 38.1 0.3 . 1 . . . . 60 PHE CB . 18029 1 439 . 1 1 60 60 PHE N N 15 120.6 0.3 . 1 . . . . 60 PHE N . 18029 1 440 . 1 1 61 61 SER H H 1 7.89 0.02 . 1 . . . . 61 SER H . 18029 1 441 . 1 1 61 61 SER HA H 1 3.80 0.02 . 1 . . . . 61 SER HA . 18029 1 442 . 1 1 61 61 SER HB2 H 1 3.77 0.02 . 2 . . . . 61 SER HB2 . 18029 1 443 . 1 1 61 61 SER HB3 H 1 3.75 0.02 . 2 . . . . 61 SER HB3 . 18029 1 444 . 1 1 61 61 SER C C 13 173.5 0.3 . 1 . . . . 61 SER C . 18029 1 445 . 1 1 61 61 SER CA C 13 61.3 0.3 . 1 . . . . 61 SER CA . 18029 1 446 . 1 1 61 61 SER CB C 13 62.8 0.3 . 1 . . . . 61 SER CB . 18029 1 447 . 1 1 61 61 SER N N 15 111.7 0.3 . 1 . . . . 61 SER N . 18029 1 448 . 1 1 62 62 LYS H H 1 7.27 0.02 . 1 . . . . 62 LYS H . 18029 1 449 . 1 1 62 62 LYS HA H 1 3.81 0.02 . 1 . . . . 62 LYS HA . 18029 1 450 . 1 1 62 62 LYS HB2 H 1 1.24 0.02 . 2 . . . . 62 LYS HB2 . 18029 1 451 . 1 1 62 62 LYS HB3 H 1 1.09 0.02 . 2 . . . . 62 LYS HB3 . 18029 1 452 . 1 1 62 62 LYS HG2 H 1 0.91 0.02 . 2 . . . . 62 LYS HG2 . 18029 1 453 . 1 1 62 62 LYS HG3 H 1 0.88 0.02 . 2 . . . . 62 LYS HG3 . 18029 1 454 . 1 1 62 62 LYS HD2 H 1 1.23 0.02 . 2 . . . . 62 LYS HD2 . 18029 1 455 . 1 1 62 62 LYS HD3 H 1 1.21 0.02 . 2 . . . . 62 LYS HD3 . 18029 1 456 . 1 1 62 62 LYS HE2 H 1 2.57 0.02 . 2 . . . . 62 LYS HE2 . 18029 1 457 . 1 1 62 62 LYS HE3 H 1 2.61 0.02 . 2 . . . . 62 LYS HE3 . 18029 1 458 . 1 1 62 62 LYS C C 13 177.5 0.3 . 1 . . . . 62 LYS C . 18029 1 459 . 1 1 62 62 LYS CA C 13 58.0 0.3 . 1 . . . . 62 LYS CA . 18029 1 460 . 1 1 62 62 LYS CB C 13 31.9 0.3 . 1 . . . . 62 LYS CB . 18029 1 461 . 1 1 62 62 LYS CG C 13 24.6 0.3 . 1 . . . . 62 LYS CG . 18029 1 462 . 1 1 62 62 LYS CD C 13 29.0 0.3 . 1 . . . . 62 LYS CD . 18029 1 463 . 1 1 62 62 LYS CE C 13 41.1 0.3 . 1 . . . . 62 LYS CE . 18029 1 464 . 1 1 62 62 LYS N N 15 119.9 0.3 . 1 . . . . 62 LYS N . 18029 1 465 . 1 1 63 63 PHE H H 1 6.85 0.02 . 1 . . . . 63 PHE H . 18029 1 466 . 1 1 63 63 PHE HA H 1 4.58 0.02 . 1 . . . . 63 PHE HA . 18029 1 467 . 1 1 63 63 PHE HB2 H 1 3.12 0.02 . 2 . . . . 63 PHE HB2 . 18029 1 468 . 1 1 63 63 PHE HB3 H 1 3.04 0.02 . 2 . . . . 63 PHE HB3 . 18029 1 469 . 1 1 63 63 PHE C C 13 174.4 0.3 . 1 . . . . 63 PHE C . 18029 1 470 . 1 1 63 63 PHE CA C 13 57.0 0.3 . 1 . . . . 63 PHE CA . 18029 1 471 . 1 1 63 63 PHE CB C 13 40.3 0.3 . 1 . . . . 63 PHE CB . 18029 1 472 . 1 1 63 63 PHE N N 15 113.9 0.3 . 1 . . . . 63 PHE N . 18029 1 473 . 1 1 64 64 TYR H H 1 7.16 0.02 . 1 . . . . 64 TYR H . 18029 1 474 . 1 1 64 64 TYR HA H 1 3.70 0.02 . 1 . . . . 64 TYR HA . 18029 1 475 . 1 1 64 64 TYR HB2 H 1 2.34 0.02 . 2 . . . . 64 TYR HB2 . 18029 1 476 . 1 1 64 64 TYR HB3 H 1 2.21 0.02 . 2 . . . . 64 TYR HB3 . 18029 1 477 . 1 1 64 64 TYR C C 13 175.9 0.3 . 1 . . . . 64 TYR C . 18029 1 478 . 1 1 64 64 TYR CA C 13 56.5 0.3 . 1 . . . . 64 TYR CA . 18029 1 479 . 1 1 64 64 TYR CB C 13 36.6 0.3 . 1 . . . . 64 TYR CB . 18029 1 480 . 1 1 64 64 TYR N N 15 123.1 0.3 . 1 . . . . 64 TYR N . 18029 1 481 . 1 1 68 68 GLU H H 1 9.59 0.02 . 1 . . . . 68 GLU H . 18029 1 482 . 1 1 68 68 GLU C C 13 178.3 0.3 . 1 . . . . 68 GLU C . 18029 1 483 . 1 1 68 68 GLU CA C 13 58.7 0.3 . 1 . . . . 68 GLU CA . 18029 1 484 . 1 1 68 68 GLU CB C 13 27.9 0.3 . 1 . . . . 68 GLU CB . 18029 1 485 . 1 1 68 68 GLU N N 15 120.0 0.3 . 1 . . . . 68 GLU N . 18029 1 486 . 1 1 69 69 CYS H H 1 7.91 0.02 . 1 . . . . 69 CYS H . 18029 1 487 . 1 1 69 69 CYS C C 13 175.8 0.3 . 1 . . . . 69 CYS C . 18029 1 488 . 1 1 69 69 CYS CA C 13 60.2 0.3 . 1 . . . . 69 CYS CA . 18029 1 489 . 1 1 69 69 CYS CB C 13 34.4 0.3 . 1 . . . . 69 CYS CB . 18029 1 490 . 1 1 69 69 CYS N N 15 113.8 0.3 . 1 . . . . 69 CYS N . 18029 1 491 . 1 1 70 70 ALA H H 1 8.79 0.02 . 1 . . . . 70 ALA H . 18029 1 492 . 1 1 70 70 ALA HA H 1 3.90 0.02 . 1 . . . . 70 ALA HA . 18029 1 493 . 1 1 70 70 ALA C C 13 178.6 0.3 . 1 . . . . 70 ALA C . 18029 1 494 . 1 1 70 70 ALA CA C 13 54.8 0.3 . 1 . . . . 70 ALA CA . 18029 1 495 . 1 1 70 70 ALA CB C 13 17.7 0.3 . 1 . . . . 70 ALA CB . 18029 1 496 . 1 1 70 70 ALA N N 15 123.5 0.3 . 1 . . . . 70 ALA N . 18029 1 497 . 1 1 71 71 GLU H H 1 8.39 0.02 . 1 . . . . 71 GLU H . 18029 1 498 . 1 1 71 71 GLU HA H 1 4.21 0.02 . 1 . . . . 71 GLU HA . 18029 1 499 . 1 1 71 71 GLU HB2 H 1 1.98 0.02 . 1 . . . . 71 GLU HB2 . 18029 1 500 . 1 1 71 71 GLU C C 13 178.5 0.3 . 1 . . . . 71 GLU C . 18029 1 501 . 1 1 71 71 GLU CA C 13 59.1 0.3 . 1 . . . . 71 GLU CA . 18029 1 502 . 1 1 71 71 GLU CB C 13 28.7 0.3 . 1 . . . . 71 GLU CB . 18029 1 503 . 1 1 71 71 GLU CG C 13 34.6 0.3 . 1 . . . . 71 GLU CG . 18029 1 504 . 1 1 71 71 GLU N N 15 118.5 0.3 . 1 . . . . 71 GLU N . 18029 1 505 . 1 1 74 74 ARG H H 1 8.82 0.02 . 1 . . . . 74 ARG H . 18029 1 506 . 1 1 74 74 ARG HA H 1 3.81 0.02 . 1 . . . . 74 ARG HA . 18029 1 507 . 1 1 74 74 ARG HB2 H 1 1.79 0.02 . 2 . . . . 74 ARG HB2 . 18029 1 508 . 1 1 74 74 ARG HB3 H 1 1.76 0.02 . 2 . . . . 74 ARG HB3 . 18029 1 509 . 1 1 74 74 ARG HG2 H 1 1.92 0.02 . 2 . . . . 74 ARG HG2 . 18029 1 510 . 1 1 74 74 ARG HG3 H 1 1.95 0.02 . 2 . . . . 74 ARG HG3 . 18029 1 511 . 1 1 74 74 ARG C C 13 179.7 0.3 . 1 . . . . 74 ARG C . 18029 1 512 . 1 1 74 74 ARG CA C 13 60.6 0.3 . 1 . . . . 74 ARG CA . 18029 1 513 . 1 1 74 74 ARG CB C 13 29.6 0.3 . 1 . . . . 74 ARG CB . 18029 1 514 . 1 1 74 74 ARG CG C 13 27.5 0.3 . 1 . . . . 74 ARG CG . 18029 1 515 . 1 1 74 74 ARG CD C 13 43.4 0.3 . 1 . . . . 74 ARG CD . 18029 1 516 . 1 1 74 74 ARG N N 15 117.8 0.3 . 1 . . . . 74 ARG N . 18029 1 517 . 1 1 75 75 LYS H H 1 7.94 0.02 . 1 . . . . 75 LYS H . 18029 1 518 . 1 1 75 75 LYS HA H 1 4.01 0.02 . 1 . . . . 75 LYS HA . 18029 1 519 . 1 1 75 75 LYS HB2 H 1 2.02 0.02 . 2 . . . . 75 LYS HB2 . 18029 1 520 . 1 1 75 75 LYS HB3 H 1 1.87 0.02 . 2 . . . . 75 LYS HB3 . 18029 1 521 . 1 1 75 75 LYS HG2 H 1 1.63 0.02 . 2 . . . . 75 LYS HG2 . 18029 1 522 . 1 1 75 75 LYS HG3 H 1 1.37 0.02 . 2 . . . . 75 LYS HG3 . 18029 1 523 . 1 1 75 75 LYS HD2 H 1 1.95 0.02 . 2 . . . . 75 LYS HD2 . 18029 1 524 . 1 1 75 75 LYS HD3 H 1 1.81 0.02 . 2 . . . . 75 LYS HD3 . 18029 1 525 . 1 1 75 75 LYS HE2 H 1 2.91 0.02 . 2 . . . . 75 LYS HE2 . 18029 1 526 . 1 1 75 75 LYS HE3 H 1 2.96 0.02 . 2 . . . . 75 LYS HE3 . 18029 1 527 . 1 1 75 75 LYS C C 13 179.5 0.3 . 1 . . . . 75 LYS C . 18029 1 528 . 1 1 75 75 LYS CA C 13 59.3 0.3 . 1 . . . . 75 LYS CA . 18029 1 529 . 1 1 75 75 LYS CB C 13 31.5 0.3 . 1 . . . . 75 LYS CB . 18029 1 530 . 1 1 75 75 LYS CG C 13 24.9 0.3 . 1 . . . . 75 LYS CG . 18029 1 531 . 1 1 75 75 LYS CD C 13 28.7 0.3 . 1 . . . . 75 LYS CD . 18029 1 532 . 1 1 75 75 LYS CE C 13 41.6 0.3 . 1 . . . . 75 LYS CE . 18029 1 533 . 1 1 75 75 LYS N N 15 119.8 0.3 . 1 . . . . 75 LYS N . 18029 1 534 . 1 1 76 76 ARG H H 1 8.16 0.02 . 1 . . . . 76 ARG H . 18029 1 535 . 1 1 76 76 ARG HA H 1 4.01 0.02 . 1 . . . . 76 ARG HA . 18029 1 536 . 1 1 76 76 ARG HB2 H 1 1.86 0.02 . 2 . . . . 76 ARG HB2 . 18029 1 537 . 1 1 76 76 ARG HB3 H 1 1.93 0.02 . 2 . . . . 76 ARG HB3 . 18029 1 538 . 1 1 76 76 ARG HG2 H 1 1.37 0.02 . 2 . . . . 76 ARG HG2 . 18029 1 539 . 1 1 76 76 ARG HG3 H 1 1.63 0.02 . 2 . . . . 76 ARG HG3 . 18029 1 540 . 1 1 76 76 ARG HD2 H 1 2.91 0.02 . 2 . . . . 76 ARG HD2 . 18029 1 541 . 1 1 76 76 ARG HD3 H 1 2.95 0.02 . 2 . . . . 76 ARG HD3 . 18029 1 542 . 1 1 76 76 ARG C C 13 179.4 0.3 . 1 . . . . 76 ARG C . 18029 1 543 . 1 1 76 76 ARG CA C 13 59.5 0.3 . 1 . . . . 76 ARG CA . 18029 1 544 . 1 1 76 76 ARG CB C 13 29.0 0.3 . 1 . . . . 76 ARG CB . 18029 1 545 . 1 1 76 76 ARG CG C 13 24.9 0.3 . 1 . . . . 76 ARG CG . 18029 1 546 . 1 1 76 76 ARG CD C 13 41.5 0.3 . 1 . . . . 76 ARG CD . 18029 1 547 . 1 1 76 76 ARG N N 15 120.2 0.3 . 1 . . . . 76 ARG N . 18029 1 548 . 1 1 77 77 LEU H H 1 8.71 0.02 . 1 . . . . 77 LEU H . 18029 1 549 . 1 1 77 77 LEU HA H 1 4.34 0.02 . 1 . . . . 77 LEU HA . 18029 1 550 . 1 1 77 77 LEU HB2 H 1 1.91 0.02 . 2 . . . . 77 LEU HB2 . 18029 1 551 . 1 1 77 77 LEU HB3 H 1 1.40 0.02 . 2 . . . . 77 LEU HB3 . 18029 1 552 . 1 1 77 77 LEU HG H 1 2.00 0.02 . 1 . . . . 77 LEU HG . 18029 1 553 . 1 1 77 77 LEU C C 13 178.1 0.3 . 1 . . . . 77 LEU C . 18029 1 554 . 1 1 77 77 LEU CA C 13 55.9 0.3 . 1 . . . . 77 LEU CA . 18029 1 555 . 1 1 77 77 LEU CB C 13 41.2 0.3 . 1 . . . . 77 LEU CB . 18029 1 556 . 1 1 77 77 LEU CG C 13 26.0 0.3 . 1 . . . . 77 LEU CG . 18029 1 557 . 1 1 77 77 LEU CD1 C 13 25.9 0.3 . 1 . . . . 77 LEU CD1 . 18029 1 558 . 1 1 77 77 LEU CD2 C 13 23.1 0.3 . 1 . . . . 77 LEU CD2 . 18029 1 559 . 1 1 77 77 LEU N N 15 118.5 0.3 . 1 . . . . 77 LEU N . 18029 1 560 . 1 1 78 78 ALA H H 1 7.46 0.02 . 1 . . . . 78 ALA H . 18029 1 561 . 1 1 78 78 ALA HA H 1 4.15 0.02 . 1 . . . . 78 ALA HA . 18029 1 562 . 1 1 78 78 ALA C C 13 178.6 0.3 . 1 . . . . 78 ALA C . 18029 1 563 . 1 1 78 78 ALA CA C 13 53.6 0.3 . 1 . . . . 78 ALA CA . 18029 1 564 . 1 1 78 78 ALA CB C 13 17.5 0.3 . 1 . . . . 78 ALA CB . 18029 1 565 . 1 1 78 78 ALA N N 15 118.8 0.3 . 1 . . . . 78 ALA N . 18029 1 566 . 1 1 79 79 ARG H H 1 7.21 0.02 . 1 . . . . 79 ARG H . 18029 1 567 . 1 1 79 79 ARG HA H 1 4.41 0.02 . 1 . . . . 79 ARG HA . 18029 1 568 . 1 1 79 79 ARG HB2 H 1 1.86 0.02 . 2 . . . . 79 ARG HB2 . 18029 1 569 . 1 1 79 79 ARG HB3 H 1 1.82 0.02 . 2 . . . . 79 ARG HB3 . 18029 1 570 . 1 1 79 79 ARG HG2 H 1 1.56 0.02 . 2 . . . . 79 ARG HG2 . 18029 1 571 . 1 1 79 79 ARG HG3 H 1 1.52 0.02 . 2 . . . . 79 ARG HG3 . 18029 1 572 . 1 1 79 79 ARG HD2 H 1 3.16 0.02 . 2 . . . . 79 ARG HD2 . 18029 1 573 . 1 1 79 79 ARG HD3 H 1 3.09 0.02 . 2 . . . . 79 ARG HD3 . 18029 1 574 . 1 1 79 79 ARG C C 13 175.4 0.3 . 1 . . . . 79 ARG C . 18029 1 575 . 1 1 79 79 ARG CA C 13 55.5 0.3 . 1 . . . . 79 ARG CA . 18029 1 576 . 1 1 79 79 ARG CB C 13 30.7 0.3 . 1 . . . . 79 ARG CB . 18029 1 577 . 1 1 79 79 ARG CG C 13 26.5 0.3 . 1 . . . . 79 ARG CG . 18029 1 578 . 1 1 79 79 ARG CD C 13 42.8 0.3 . 1 . . . . 79 ARG CD . 18029 1 579 . 1 1 79 79 ARG N N 15 114.1 0.3 . 1 . . . . 79 ARG N . 18029 1 580 . 1 1 80 80 ASN H H 1 7.98 0.02 . 1 . . . . 80 ASN H . 18029 1 581 . 1 1 80 80 ASN HA H 1 4.87 0.02 . 1 . . . . 80 ASN HA . 18029 1 582 . 1 1 80 80 ASN HB2 H 1 3.02 0.02 . 2 . . . . 80 ASN HB2 . 18029 1 583 . 1 1 80 80 ASN HB3 H 1 2.65 0.02 . 2 . . . . 80 ASN HB3 . 18029 1 584 . 1 1 80 80 ASN C C 13 172.3 0.3 . 1 . . . . 80 ASN C . 18029 1 585 . 1 1 80 80 ASN CA C 13 51.6 0.3 . 1 . . . . 80 ASN CA . 18029 1 586 . 1 1 80 80 ASN CB C 13 37.9 0.3 . 1 . . . . 80 ASN CB . 18029 1 587 . 1 1 80 80 ASN N N 15 120.8 0.3 . 1 . . . . 80 ASN N . 18029 1 588 . 1 1 81 81 HIS H H 1 8.13 0.02 . 1 . . . . 81 HIS H . 18029 1 589 . 1 1 81 81 HIS HA H 1 4.72 0.02 . 1 . . . . 81 HIS HA . 18029 1 590 . 1 1 81 81 HIS HB2 H 1 2.94 0.02 . 1 . . . . 81 HIS HB2 . 18029 1 591 . 1 1 81 81 HIS C C 13 173.1 0.3 . 1 . . . . 81 HIS C . 18029 1 592 . 1 1 81 81 HIS CA C 13 53.9 0.3 . 1 . . . . 81 HIS CA . 18029 1 593 . 1 1 81 81 HIS CB C 13 28.7 0.3 . 1 . . . . 81 HIS CB . 18029 1 594 . 1 1 81 81 HIS N N 15 121.4 0.3 . 1 . . . . 81 HIS N . 18029 1 595 . 1 1 84 84 THR H H 1 7.45 0.02 . 1 . . . . 84 THR H . 18029 1 596 . 1 1 84 84 THR HA H 1 3.83 0.02 . 1 . . . . 84 THR HA . 18029 1 597 . 1 1 84 84 THR HB H 1 4.20 0.02 . 1 . . . . 84 THR HB . 18029 1 598 . 1 1 84 84 THR C C 13 176.2 0.3 . 1 . . . . 84 THR C . 18029 1 599 . 1 1 84 84 THR CA C 13 58.9 0.3 . 1 . . . . 84 THR CA . 18029 1 600 . 1 1 84 84 THR CB C 13 66.4 0.3 . 1 . . . . 84 THR CB . 18029 1 601 . 1 1 84 84 THR CG2 C 13 21.1 0.3 . 1 . . . . 84 THR CG2 . 18029 1 602 . 1 1 84 84 THR N N 15 108.8 0.3 . 1 . . . . 84 THR N . 18029 1 603 . 1 1 85 85 ARG H H 1 7.65 0.02 . 1 . . . . 85 ARG H . 18029 1 604 . 1 1 85 85 ARG HA H 1 3.69 0.02 . 1 . . . . 85 ARG HA . 18029 1 605 . 1 1 85 85 ARG HB2 H 1 1.79 0.02 . 2 . . . . 85 ARG HB2 . 18029 1 606 . 1 1 85 85 ARG HB3 H 1 1.76 0.02 . 2 . . . . 85 ARG HB3 . 18029 1 607 . 1 1 85 85 ARG HG2 H 1 1.50 0.02 . 2 . . . . 85 ARG HG2 . 18029 1 608 . 1 1 85 85 ARG HG3 H 1 1.58 0.02 . 2 . . . . 85 ARG HG3 . 18029 1 609 . 1 1 85 85 ARG HD2 H 1 3.21 0.02 . 2 . . . . 85 ARG HD2 . 18029 1 610 . 1 1 85 85 ARG HD3 H 1 3.16 0.02 . 2 . . . . 85 ARG HD3 . 18029 1 611 . 1 1 85 85 ARG C C 13 174.9 0.3 . 1 . . . . 85 ARG C . 18029 1 612 . 1 1 85 85 ARG CA C 13 60.0 0.3 . 1 . . . . 85 ARG CA . 18029 1 613 . 1 1 85 85 ARG CB C 13 31.1 0.3 . 1 . . . . 85 ARG CB . 18029 1 614 . 1 1 85 85 ARG CG C 13 26.5 0.3 . 1 . . . . 85 ARG CG . 18029 1 615 . 1 1 85 85 ARG CD C 13 42.9 0.3 . 1 . . . . 85 ARG CD . 18029 1 616 . 1 1 85 85 ARG N N 15 120.4 0.3 . 1 . . . . 85 ARG N . 18029 1 617 . 1 1 86 86 THR H H 1 6.93 0.02 . 1 . . . . 86 THR H . 18029 1 618 . 1 1 86 86 THR HA H 1 4.47 0.02 . 1 . . . . 86 THR HA . 18029 1 619 . 1 1 86 86 THR HB H 1 4.89 0.02 . 1 . . . . 86 THR HB . 18029 1 620 . 1 1 86 86 THR C C 13 174.6 0.3 . 1 . . . . 86 THR C . 18029 1 621 . 1 1 86 86 THR CA C 13 58.4 0.3 . 1 . . . . 86 THR CA . 18029 1 622 . 1 1 86 86 THR CB C 13 74.5 0.3 . 1 . . . . 86 THR CB . 18029 1 623 . 1 1 86 86 THR CG2 C 13 22.5 0.3 . 1 . . . . 86 THR CG2 . 18029 1 624 . 1 1 86 86 THR N N 15 99.5 0.3 . 1 . . . . 86 THR N . 18029 1 625 . 1 1 87 87 ARG H H 1 7.70 0.02 . 1 . . . . 87 ARG H . 18029 1 626 . 1 1 87 87 ARG HA H 1 4.22 0.02 . 1 . . . . 87 ARG HA . 18029 1 627 . 1 1 87 87 ARG HB2 H 1 1.80 0.02 . 2 . . . . 87 ARG HB2 . 18029 1 628 . 1 1 87 87 ARG HB3 H 1 1.86 0.02 . 2 . . . . 87 ARG HB3 . 18029 1 629 . 1 1 87 87 ARG HG2 H 1 1.56 0.02 . 2 . . . . 87 ARG HG2 . 18029 1 630 . 1 1 87 87 ARG HG3 H 1 1.54 0.02 . 2 . . . . 87 ARG HG3 . 18029 1 631 . 1 1 87 87 ARG HD2 H 1 3.16 0.02 . 2 . . . . 87 ARG HD2 . 18029 1 632 . 1 1 87 87 ARG HD3 H 1 3.09 0.02 . 2 . . . . 87 ARG HD3 . 18029 1 633 . 1 1 87 87 ARG C C 13 178.8 0.3 . 1 . . . . 87 ARG C . 18029 1 634 . 1 1 87 87 ARG CA C 13 61.2 0.3 . 1 . . . . 87 ARG CA . 18029 1 635 . 1 1 87 87 ARG CB C 13 30.5 0.3 . 1 . . . . 87 ARG CB . 18029 1 636 . 1 1 87 87 ARG CG C 13 26.5 0.3 . 1 . . . . 87 ARG CG . 18029 1 637 . 1 1 87 87 ARG CD C 13 42.9 0.3 . 1 . . . . 87 ARG CD . 18029 1 638 . 1 1 87 87 ARG N N 15 122.4 0.3 . 1 . . . . 87 ARG N . 18029 1 639 . 1 1 88 88 ALA H H 1 9.28 0.02 . 1 . . . . 88 ALA H . 18029 1 640 . 1 1 88 88 ALA HA H 1 3.89 0.02 . 1 . . . . 88 ALA HA . 18029 1 641 . 1 1 88 88 ALA C C 13 178.7 0.3 . 1 . . . . 88 ALA C . 18029 1 642 . 1 1 88 88 ALA CA C 13 55.5 0.3 . 1 . . . . 88 ALA CA . 18029 1 643 . 1 1 88 88 ALA CB C 13 17.4 0.3 . 1 . . . . 88 ALA CB . 18029 1 644 . 1 1 88 88 ALA N N 15 123.9 0.3 . 1 . . . . 88 ALA N . 18029 1 645 . 1 1 89 89 ALA H H 1 8.24 0.02 . 1 . . . . 89 ALA H . 18029 1 646 . 1 1 89 89 ALA HA H 1 4.09 0.02 . 1 . . . . 89 ALA HA . 18029 1 647 . 1 1 89 89 ALA C C 13 180.9 0.3 . 1 . . . . 89 ALA C . 18029 1 648 . 1 1 89 89 ALA CA C 13 54.2 0.3 . 1 . . . . 89 ALA CA . 18029 1 649 . 1 1 89 89 ALA CB C 13 17.7 0.3 . 1 . . . . 89 ALA CB . 18029 1 650 . 1 1 89 89 ALA N N 15 118.7 0.3 . 1 . . . . 89 ALA N . 18029 1 651 . 1 1 90 90 PHE H H 1 8.83 0.02 . 1 . . . . 90 PHE H . 18029 1 652 . 1 1 90 90 PHE HA H 1 5.16 0.02 . 1 . . . . 90 PHE HA . 18029 1 653 . 1 1 90 90 PHE HB2 H 1 3.41 0.02 . 2 . . . . 90 PHE HB2 . 18029 1 654 . 1 1 90 90 PHE HB3 H 1 2.80 0.02 . 2 . . . . 90 PHE HB3 . 18029 1 655 . 1 1 90 90 PHE C C 13 178.0 0.3 . 1 . . . . 90 PHE C . 18029 1 656 . 1 1 90 90 PHE CA C 13 59.5 0.3 . 1 . . . . 90 PHE CA . 18029 1 657 . 1 1 90 90 PHE CB C 13 40.0 0.3 . 1 . . . . 90 PHE CB . 18029 1 658 . 1 1 90 90 PHE N N 15 120.8 0.3 . 1 . . . . 90 PHE N . 18029 1 659 . 1 1 91 91 THR H H 1 9.06 0.02 . 1 . . . . 91 THR H . 18029 1 660 . 1 1 91 91 THR HA H 1 3.75 0.02 . 1 . . . . 91 THR HA . 18029 1 661 . 1 1 91 91 THR HB H 1 3.89 0.02 . 1 . . . . 91 THR HB . 18029 1 662 . 1 1 91 91 THR C C 13 179.7 0.3 . 1 . . . . 91 THR C . 18029 1 663 . 1 1 91 91 THR CA C 13 64.0 0.3 . 1 . . . . 91 THR CA . 18029 1 664 . 1 1 91 91 THR CB C 13 69.1 0.3 . 1 . . . . 91 THR CB . 18029 1 665 . 1 1 91 91 THR CG2 C 13 23.2 0.3 . 1 . . . . 91 THR CG2 . 18029 1 666 . 1 1 91 91 THR N N 15 109.3 0.3 . 1 . . . . 91 THR N . 18029 1 667 . 1 1 92 92 GLN H H 1 7.56 0.02 . 1 . . . . 92 GLN H . 18029 1 668 . 1 1 92 92 GLN HA H 1 3.86 0.02 . 1 . . . . 92 GLN HA . 18029 1 669 . 1 1 92 92 GLN HB2 H 1 2.19 0.02 . 2 . . . . 92 GLN HB2 . 18029 1 670 . 1 1 92 92 GLN HB3 H 1 2.16 0.02 . 2 . . . . 92 GLN HB3 . 18029 1 671 . 1 1 92 92 GLN HG2 H 1 2.56 0.02 . 2 . . . . 92 GLN HG2 . 18029 1 672 . 1 1 92 92 GLN HG3 H 1 2.36 0.02 . 2 . . . . 92 GLN HG3 . 18029 1 673 . 1 1 92 92 GLN C C 13 176.4 0.3 . 1 . . . . 92 GLN C . 18029 1 674 . 1 1 92 92 GLN CA C 13 58.6 0.3 . 1 . . . . 92 GLN CA . 18029 1 675 . 1 1 92 92 GLN CB C 13 27.8 0.3 . 1 . . . . 92 GLN CB . 18029 1 676 . 1 1 92 92 GLN CG C 13 33.9 0.3 . 1 . . . . 92 GLN CG . 18029 1 677 . 1 1 92 92 GLN N N 15 120.8 0.3 . 1 . . . . 92 GLN N . 18029 1 678 . 1 1 93 93 TRP H H 1 8.91 0.02 . 1 . . . . 93 TRP H . 18029 1 679 . 1 1 93 93 TRP HA H 1 4.11 0.02 . 1 . . . . 93 TRP HA . 18029 1 680 . 1 1 93 93 TRP HB2 H 1 3.80 0.02 . 2 . . . . 93 TRP HB2 . 18029 1 681 . 1 1 93 93 TRP HB3 H 1 3.72 0.02 . 2 . . . . 93 TRP HB3 . 18029 1 682 . 1 1 93 93 TRP C C 13 178.6 0.3 . 1 . . . . 93 TRP C . 18029 1 683 . 1 1 93 93 TRP CA C 13 62.6 0.3 . 1 . . . . 93 TRP CA . 18029 1 684 . 1 1 93 93 TRP CB C 13 28.8 0.3 . 1 . . . . 93 TRP CB . 18029 1 685 . 1 1 93 93 TRP N N 15 122.7 0.3 . 1 . . . . 93 TRP N . 18029 1 686 . 1 1 94 94 LEU H H 1 8.78 0.02 . 1 . . . . 94 LEU H . 18029 1 687 . 1 1 94 94 LEU HA H 1 3.37 0.02 . 1 . . . . 94 LEU HA . 18029 1 688 . 1 1 94 94 LEU HB2 H 1 1.42 0.02 . 2 . . . . 94 LEU HB2 . 18029 1 689 . 1 1 94 94 LEU HB3 H 1 1.39 0.02 . 2 . . . . 94 LEU HB3 . 18029 1 690 . 1 1 94 94 LEU HG H 1 0.73 0.02 . 1 . . . . 94 LEU HG . 18029 1 691 . 1 1 94 94 LEU C C 13 178.3 0.3 . 1 . . . . 94 LEU C . 18029 1 692 . 1 1 94 94 LEU CA C 13 56.5 0.3 . 1 . . . . 94 LEU CA . 18029 1 693 . 1 1 94 94 LEU CB C 13 41.2 0.3 . 1 . . . . 94 LEU CB . 18029 1 694 . 1 1 94 94 LEU CG C 13 26.5 0.3 . 1 . . . . 94 LEU CG . 18029 1 695 . 1 1 94 94 LEU CD1 C 13 25.1 0.3 . 1 . . . . 94 LEU CD1 . 18029 1 696 . 1 1 94 94 LEU CD2 C 13 23.9 0.3 . 1 . . . . 94 LEU CD2 . 18029 1 697 . 1 1 94 94 LEU N N 15 119.6 0.3 . 1 . . . . 94 LEU N . 18029 1 698 . 1 1 95 95 CYS H H 1 7.64 0.02 . 1 . . . . 95 CYS H . 18029 1 699 . 1 1 95 95 CYS HA H 1 4.83 0.02 . 1 . . . . 95 CYS HA . 18029 1 700 . 1 1 95 95 CYS HB2 H 1 3.52 0.02 . 2 . . . . 95 CYS HB2 . 18029 1 701 . 1 1 95 95 CYS HB3 H 1 3.15 0.02 . 2 . . . . 95 CYS HB3 . 18029 1 702 . 1 1 95 95 CYS C C 13 177.4 0.3 . 1 . . . . 95 CYS C . 18029 1 703 . 1 1 95 95 CYS CA C 13 58.8 0.3 . 1 . . . . 95 CYS CA . 18029 1 704 . 1 1 95 95 CYS CB C 13 43.6 0.3 . 1 . . . . 95 CYS CB . 18029 1 705 . 1 1 95 95 CYS N N 15 119.6 0.3 . 1 . . . . 95 CYS N . 18029 1 706 . 1 1 96 96 HIS H H 1 8.81 0.02 . 1 . . . . 96 HIS H . 18029 1 707 . 1 1 96 96 HIS HA H 1 4.41 0.02 . 1 . . . . 96 HIS HA . 18029 1 708 . 1 1 96 96 HIS HB2 H 1 3.08 0.02 . 2 . . . . 96 HIS HB2 . 18029 1 709 . 1 1 96 96 HIS HB3 H 1 3.05 0.02 . 2 . . . . 96 HIS HB3 . 18029 1 710 . 1 1 96 96 HIS C C 13 178.2 0.3 . 1 . . . . 96 HIS C . 18029 1 711 . 1 1 96 96 HIS CA C 13 59.7 0.3 . 1 . . . . 96 HIS CA . 18029 1 712 . 1 1 96 96 HIS CB C 13 28.6 0.3 . 1 . . . . 96 HIS CB . 18029 1 713 . 1 1 96 96 HIS N N 15 122.7 0.3 . 1 . . . . 96 HIS N . 18029 1 714 . 1 1 97 97 LEU H H 1 7.94 0.02 . 1 . . . . 97 LEU H . 18029 1 715 . 1 1 97 97 LEU HA H 1 3.73 0.02 . 1 . . . . 97 LEU HA . 18029 1 716 . 1 1 97 97 LEU HB2 H 1 1.83 0.02 . 2 . . . . 97 LEU HB2 . 18029 1 717 . 1 1 97 97 LEU HB3 H 1 1.81 0.02 . 2 . . . . 97 LEU HB3 . 18029 1 718 . 1 1 97 97 LEU HG H 1 1.24 0.02 . 1 . . . . 97 LEU HG . 18029 1 719 . 1 1 97 97 LEU C C 13 178.0 0.3 . 1 . . . . 97 LEU C . 18029 1 720 . 1 1 97 97 LEU CA C 13 57.7 0.3 . 1 . . . . 97 LEU CA . 18029 1 721 . 1 1 97 97 LEU CB C 13 40.3 0.3 . 1 . . . . 97 LEU CB . 18029 1 722 . 1 1 97 97 LEU CG C 13 26.5 0.3 . 1 . . . . 97 LEU CG . 18029 1 723 . 1 1 97 97 LEU CD1 C 13 24.4 0.3 . 1 . . . . 97 LEU CD1 . 18029 1 724 . 1 1 97 97 LEU CD2 C 13 22.6 0.3 . 1 . . . . 97 LEU CD2 . 18029 1 725 . 1 1 97 97 LEU N N 15 122.3 0.3 . 1 . . . . 97 LEU N . 18029 1 726 . 1 1 98 98 HIS H H 1 8.14 0.02 . 1 . . . . 98 HIS H . 18029 1 727 . 1 1 98 98 HIS HA H 1 3.51 0.02 . 1 . . . . 98 HIS HA . 18029 1 728 . 1 1 98 98 HIS HB2 H 1 3.00 0.02 . 2 . . . . 98 HIS HB2 . 18029 1 729 . 1 1 98 98 HIS HB3 H 1 1.87 0.02 . 2 . . . . 98 HIS HB3 . 18029 1 730 . 1 1 98 98 HIS C C 13 177.6 0.3 . 1 . . . . 98 HIS C . 18029 1 731 . 1 1 98 98 HIS CA C 13 56.2 0.3 . 1 . . . . 98 HIS CA . 18029 1 732 . 1 1 98 98 HIS CB C 13 26.5 0.3 . 1 . . . . 98 HIS CB . 18029 1 733 . 1 1 98 98 HIS N N 15 117.7 0.3 . 1 . . . . 98 HIS N . 18029 1 734 . 1 1 99 99 ASN H H 1 8.34 0.02 . 1 . . . . 99 ASN H . 18029 1 735 . 1 1 99 99 ASN HA H 1 4.76 0.02 . 1 . . . . 99 ASN HA . 18029 1 736 . 1 1 99 99 ASN HB2 H 1 3.05 0.02 . 2 . . . . 99 ASN HB2 . 18029 1 737 . 1 1 99 99 ASN HB3 H 1 2.81 0.02 . 2 . . . . 99 ASN HB3 . 18029 1 738 . 1 1 99 99 ASN C C 13 177.4 0.3 . 1 . . . . 99 ASN C . 18029 1 739 . 1 1 99 99 ASN CA C 13 54.7 0.3 . 1 . . . . 99 ASN CA . 18029 1 740 . 1 1 99 99 ASN CB C 13 36.5 0.3 . 1 . . . . 99 ASN CB . 18029 1 741 . 1 1 99 99 ASN N N 15 119.3 0.3 . 1 . . . . 99 ASN N . 18029 1 742 . 1 1 100 100 GLU H H 1 8.08 0.02 . 1 . . . . 100 GLU H . 18029 1 743 . 1 1 100 100 GLU HA H 1 3.88 0.02 . 1 . . . . 100 GLU HA . 18029 1 744 . 1 1 100 100 GLU HB2 H 1 2.06 0.02 . 2 . . . . 100 GLU HB2 . 18029 1 745 . 1 1 100 100 GLU HB3 H 1 1.96 0.02 . 2 . . . . 100 GLU HB3 . 18029 1 746 . 1 1 100 100 GLU HG2 H 1 2.16 0.02 . 2 . . . . 100 GLU HG2 . 18029 1 747 . 1 1 100 100 GLU HG3 H 1 2.20 0.02 . 2 . . . . 100 GLU HG3 . 18029 1 748 . 1 1 100 100 GLU C C 13 179.7 0.3 . 1 . . . . 100 GLU C . 18029 1 749 . 1 1 100 100 GLU CA C 13 60.2 0.3 . 1 . . . . 100 GLU CA . 18029 1 750 . 1 1 100 100 GLU CB C 13 28.5 0.3 . 1 . . . . 100 GLU CB . 18029 1 751 . 1 1 100 100 GLU CG C 13 35.6 0.3 . 1 . . . . 100 GLU CG . 18029 1 752 . 1 1 100 100 GLU N N 15 122.4 0.3 . 1 . . . . 100 GLU N . 18029 1 753 . 1 1 101 101 VAL H H 1 7.30 0.02 . 1 . . . . 101 VAL H . 18029 1 754 . 1 1 101 101 VAL HA H 1 3.29 0.02 . 1 . . . . 101 VAL HA . 18029 1 755 . 1 1 101 101 VAL HB H 1 1.77 0.02 . 1 . . . . 101 VAL HB . 18029 1 756 . 1 1 101 101 VAL C C 13 176.9 0.3 . 1 . . . . 101 VAL C . 18029 1 757 . 1 1 101 101 VAL CA C 13 66.1 0.3 . 1 . . . . 101 VAL CA . 18029 1 758 . 1 1 101 101 VAL CB C 13 30.1 0.3 . 1 . . . . 101 VAL CB . 18029 1 759 . 1 1 101 101 VAL CG1 C 13 20.9 0.3 . 1 . . . . 101 VAL CG1 . 18029 1 760 . 1 1 101 101 VAL CG2 C 13 20.5 0.3 . 1 . . . . 101 VAL CG2 . 18029 1 761 . 1 1 101 101 VAL N N 15 120.6 0.3 . 1 . . . . 101 VAL N . 18029 1 762 . 1 1 102 102 ASN H H 1 8.65 0.02 . 1 . . . . 102 ASN H . 18029 1 763 . 1 1 102 102 ASN HA H 1 3.99 0.02 . 1 . . . . 102 ASN HA . 18029 1 764 . 1 1 102 102 ASN HB2 H 1 2.58 0.02 . 2 . . . . 102 ASN HB2 . 18029 1 765 . 1 1 102 102 ASN HB3 H 1 3.04 0.02 . 2 . . . . 102 ASN HB3 . 18029 1 766 . 1 1 102 102 ASN C C 13 177.3 0.3 . 1 . . . . 102 ASN C . 18029 1 767 . 1 1 102 102 ASN CA C 13 56.3 0.3 . 1 . . . . 102 ASN CA . 18029 1 768 . 1 1 102 102 ASN CB C 13 36.0 0.3 . 1 . . . . 102 ASN CB . 18029 1 769 . 1 1 102 102 ASN N N 15 118.8 0.3 . 1 . . . . 102 ASN N . 18029 1 770 . 1 1 103 103 ARG H H 1 8.53 0.02 . 1 . . . . 103 ARG H . 18029 1 771 . 1 1 103 103 ARG HA H 1 3.96 0.02 . 1 . . . . 103 ARG HA . 18029 1 772 . 1 1 103 103 ARG HB2 H 1 1.79 0.02 . 2 . . . . 103 ARG HB2 . 18029 1 773 . 1 1 103 103 ARG HB3 H 1 1.85 0.02 . 2 . . . . 103 ARG HB3 . 18029 1 774 . 1 1 103 103 ARG HG2 H 1 1.84 0.02 . 2 . . . . 103 ARG HG2 . 18029 1 775 . 1 1 103 103 ARG HG3 H 1 1.63 0.02 . 2 . . . . 103 ARG HG3 . 18029 1 776 . 1 1 103 103 ARG HD2 H 1 3.00 0.02 . 2 . . . . 103 ARG HD2 . 18029 1 777 . 1 1 103 103 ARG HD3 H 1 2.94 0.02 . 2 . . . . 103 ARG HD3 . 18029 1 778 . 1 1 103 103 ARG C C 13 180.1 0.3 . 1 . . . . 103 ARG C . 18029 1 779 . 1 1 103 103 ARG CA C 13 59.1 0.3 . 1 . . . . 103 ARG CA . 18029 1 780 . 1 1 103 103 ARG CB C 13 29.3 0.3 . 1 . . . . 103 ARG CB . 18029 1 781 . 1 1 103 103 ARG CG C 13 26.6 0.3 . 1 . . . . 103 ARG CG . 18029 1 782 . 1 1 103 103 ARG CD C 13 43.3 0.3 . 1 . . . . 103 ARG CD . 18029 1 783 . 1 1 103 103 ARG N N 15 119.7 0.3 . 1 . . . . 103 ARG N . 18029 1 784 . 1 1 104 104 LYS H H 1 7.57 0.02 . 1 . . . . 104 LYS H . 18029 1 785 . 1 1 104 104 LYS HA H 1 3.98 0.02 . 1 . . . . 104 LYS HA . 18029 1 786 . 1 1 104 104 LYS HB2 H 1 2.01 0.02 . 2 . . . . 104 LYS HB2 . 18029 1 787 . 1 1 104 104 LYS HB3 H 1 1.86 0.02 . 2 . . . . 104 LYS HB3 . 18029 1 788 . 1 1 104 104 LYS HG2 H 1 1.31 0.02 . 2 . . . . 104 LYS HG2 . 18029 1 789 . 1 1 104 104 LYS HG3 H 1 1.46 0.02 . 2 . . . . 104 LYS HG3 . 18029 1 790 . 1 1 104 104 LYS HD2 H 1 1.66 0.02 . 2 . . . . 104 LYS HD2 . 18029 1 791 . 1 1 104 104 LYS HD3 H 1 1.59 0.02 . 2 . . . . 104 LYS HD3 . 18029 1 792 . 1 1 104 104 LYS HE2 H 1 2.85 0.02 . 2 . . . . 104 LYS HE2 . 18029 1 793 . 1 1 104 104 LYS HE3 H 1 2.78 0.02 . 2 . . . . 104 LYS HE3 . 18029 1 794 . 1 1 104 104 LYS C C 13 177.5 0.3 . 1 . . . . 104 LYS C . 18029 1 795 . 1 1 104 104 LYS CA C 13 58.6 0.3 . 1 . . . . 104 LYS CA . 18029 1 796 . 1 1 104 104 LYS CB C 13 31.7 0.3 . 1 . . . . 104 LYS CB . 18029 1 797 . 1 1 104 104 LYS CG C 13 24.1 0.3 . 1 . . . . 104 LYS CG . 18029 1 798 . 1 1 104 104 LYS CD C 13 28.5 0.3 . 1 . . . . 104 LYS CD . 18029 1 799 . 1 1 104 104 LYS CE C 13 41.7 0.3 . 1 . . . . 104 LYS CE . 18029 1 800 . 1 1 104 104 LYS N N 15 121.7 0.3 . 1 . . . . 104 LYS N . 18029 1 801 . 1 1 105 105 LEU H H 1 7.54 0.02 . 1 . . . . 105 LEU H . 18029 1 802 . 1 1 105 105 LEU HA H 1 4.35 0.02 . 1 . . . . 105 LEU HA . 18029 1 803 . 1 1 105 105 LEU HB2 H 1 1.61 0.02 . 2 . . . . 105 LEU HB2 . 18029 1 804 . 1 1 105 105 LEU HB3 H 1 1.73 0.02 . 2 . . . . 105 LEU HB3 . 18029 1 805 . 1 1 105 105 LEU HG H 1 1.77 0.02 . 1 . . . . 105 LEU HG . 18029 1 806 . 1 1 105 105 LEU C C 13 176.8 0.3 . 1 . . . . 105 LEU C . 18029 1 807 . 1 1 105 105 LEU CA C 13 53.8 0.3 . 1 . . . . 105 LEU CA . 18029 1 808 . 1 1 105 105 LEU CB C 13 41.5 0.3 . 1 . . . . 105 LEU CB . 18029 1 809 . 1 1 105 105 LEU CG C 13 25.5 0.3 . 1 . . . . 105 LEU CG . 18029 1 810 . 1 1 105 105 LEU CD1 C 13 20.9 0.3 . 1 . . . . 105 LEU CD1 . 18029 1 811 . 1 1 105 105 LEU CD2 C 13 21.5 0.3 . 1 . . . . 105 LEU CD2 . 18029 1 812 . 1 1 105 105 LEU N N 15 116.0 0.3 . 1 . . . . 105 LEU N . 18029 1 813 . 1 1 106 106 GLY H H 1 7.88 0.02 . 1 . . . . 106 GLY H . 18029 1 814 . 1 1 106 106 GLY HA2 H 1 3.98 0.02 . 2 . . . . 106 GLY HA2 . 18029 1 815 . 1 1 106 106 GLY HA3 H 1 3.75 0.02 . 2 . . . . 106 GLY HA3 . 18029 1 816 . 1 1 106 106 GLY C C 13 174.4 0.3 . 1 . . . . 106 GLY C . 18029 1 817 . 1 1 106 106 GLY CA C 13 45.7 0.3 . 1 . . . . 106 GLY CA . 18029 1 818 . 1 1 106 106 GLY N N 15 109.0 0.3 . 1 . . . . 106 GLY N . 18029 1 819 . 1 1 107 107 LYS H H 1 8.42 0.02 . 1 . . . . 107 LYS H . 18029 1 820 . 1 1 107 107 LYS HA H 1 4.48 0.02 . 1 . . . . 107 LYS HA . 18029 1 821 . 1 1 107 107 LYS C C 13 173.3 0.3 . 1 . . . . 107 LYS C . 18029 1 822 . 1 1 107 107 LYS CA C 13 53.7 0.3 . 1 . . . . 107 LYS CA . 18029 1 823 . 1 1 107 107 LYS CB C 13 32.2 0.3 . 1 . . . . 107 LYS CB . 18029 1 824 . 1 1 107 107 LYS N N 15 121.9 0.3 . 1 . . . . 107 LYS N . 18029 1 825 . 1 1 109 109 ASP H H 1 8.05 0.02 . 1 . . . . 109 ASP H . 18029 1 826 . 1 1 109 109 ASP HA H 1 4.19 0.02 . 1 . . . . 109 ASP HA . 18029 1 827 . 1 1 109 109 ASP HB2 H 1 2.25 0.02 . 2 . . . . 109 ASP HB2 . 18029 1 828 . 1 1 109 109 ASP HB3 H 1 2.20 0.02 . 2 . . . . 109 ASP HB3 . 18029 1 829 . 1 1 109 109 ASP C C 13 176.3 0.3 . 1 . . . . 109 ASP C . 18029 1 830 . 1 1 109 109 ASP CA C 13 54.1 0.3 . 1 . . . . 109 ASP CA . 18029 1 831 . 1 1 109 109 ASP CB C 13 40.1 0.3 . 1 . . . . 109 ASP CB . 18029 1 832 . 1 1 109 109 ASP N N 15 119.5 0.3 . 1 . . . . 109 ASP N . 18029 1 833 . 1 1 110 110 PHE H H 1 9.33 0.02 . 1 . . . . 110 PHE H . 18029 1 834 . 1 1 110 110 PHE HA H 1 3.85 0.02 . 1 . . . . 110 PHE HA . 18029 1 835 . 1 1 110 110 PHE HB2 H 1 2.71 0.02 . 2 . . . . 110 PHE HB2 . 18029 1 836 . 1 1 110 110 PHE HB3 H 1 2.73 0.02 . 2 . . . . 110 PHE HB3 . 18029 1 837 . 1 1 110 110 PHE C C 13 174.7 0.3 . 1 . . . . 110 PHE C . 18029 1 838 . 1 1 110 110 PHE CA C 13 56.3 0.3 . 1 . . . . 110 PHE CA . 18029 1 839 . 1 1 110 110 PHE CB C 13 40.5 0.3 . 1 . . . . 110 PHE CB . 18029 1 840 . 1 1 110 110 PHE N N 15 127.2 0.3 . 1 . . . . 110 PHE N . 18029 1 841 . 1 1 111 111 ASP H H 1 7.32 0.02 . 1 . . . . 111 ASP H . 18029 1 842 . 1 1 111 111 ASP HA H 1 4.17 0.02 . 1 . . . . 111 ASP HA . 18029 1 843 . 1 1 111 111 ASP HB2 H 1 2.19 0.02 . 2 . . . . 111 ASP HB2 . 18029 1 844 . 1 1 111 111 ASP HB3 H 1 2.30 0.02 . 2 . . . . 111 ASP HB3 . 18029 1 845 . 1 1 111 111 ASP C C 13 175.6 0.3 . 1 . . . . 111 ASP C . 18029 1 846 . 1 1 111 111 ASP CA C 13 52.3 0.3 . 1 . . . . 111 ASP CA . 18029 1 847 . 1 1 111 111 ASP CB C 13 39.1 0.3 . 1 . . . . 111 ASP CB . 18029 1 848 . 1 1 111 111 ASP N N 15 125.3 0.3 . 1 . . . . 111 ASP N . 18029 1 849 . 1 1 112 112 CYS H H 1 8.39 0.02 . 1 . . . . 112 CYS H . 18029 1 850 . 1 1 112 112 CYS HA H 1 4.51 0.02 . 1 . . . . 112 CYS HA . 18029 1 851 . 1 1 112 112 CYS HB2 H 1 3.25 0.02 . 2 . . . . 112 CYS HB2 . 18029 1 852 . 1 1 112 112 CYS HB3 H 1 2.72 0.02 . 2 . . . . 112 CYS HB3 . 18029 1 853 . 1 1 112 112 CYS C C 13 177.0 0.3 . 1 . . . . 112 CYS C . 18029 1 854 . 1 1 112 112 CYS CA C 13 54.9 0.3 . 1 . . . . 112 CYS CA . 18029 1 855 . 1 1 112 112 CYS CB C 13 36.8 0.3 . 1 . . . . 112 CYS CB . 18029 1 856 . 1 1 112 112 CYS N N 15 124.7 0.3 . 1 . . . . 112 CYS N . 18029 1 857 . 1 1 113 113 SER H H 1 8.73 0.02 . 1 . . . . 113 SER H . 18029 1 858 . 1 1 113 113 SER HA H 1 4.40 0.02 . 1 . . . . 113 SER HA . 18029 1 859 . 1 1 113 113 SER HB2 H 1 3.94 0.02 . 2 . . . . 113 SER HB2 . 18029 1 860 . 1 1 113 113 SER HB3 H 1 3.87 0.02 . 2 . . . . 113 SER HB3 . 18029 1 861 . 1 1 113 113 SER C C 13 176.2 0.3 . 1 . . . . 113 SER C . 18029 1 862 . 1 1 113 113 SER CA C 13 60.9 0.3 . 1 . . . . 113 SER CA . 18029 1 863 . 1 1 113 113 SER CB C 13 62.0 0.3 . 1 . . . . 113 SER CB . 18029 1 864 . 1 1 113 113 SER N N 15 118.6 0.3 . 1 . . . . 113 SER N . 18029 1 865 . 1 1 114 114 LYS H H 1 8.25 0.02 . 1 . . . . 114 LYS H . 18029 1 866 . 1 1 114 114 LYS HA H 1 4.63 0.02 . 1 . . . . 114 LYS HA . 18029 1 867 . 1 1 114 114 LYS HB2 H 1 2.13 0.02 . 2 . . . . 114 LYS HB2 . 18029 1 868 . 1 1 114 114 LYS HB3 H 1 2.17 0.02 . 2 . . . . 114 LYS HB3 . 18029 1 869 . 1 1 114 114 LYS HG2 H 1 1.21 0.02 . 2 . . . . 114 LYS HG2 . 18029 1 870 . 1 1 114 114 LYS HG3 H 1 1.17 0.02 . 2 . . . . 114 LYS HG3 . 18029 1 871 . 1 1 114 114 LYS HD2 H 1 1.50 0.02 . 2 . . . . 114 LYS HD2 . 18029 1 872 . 1 1 114 114 LYS HD3 H 1 1.45 0.02 . 2 . . . . 114 LYS HD3 . 18029 1 873 . 1 1 114 114 LYS HE2 H 1 2.85 0.02 . 2 . . . . 114 LYS HE2 . 18029 1 874 . 1 1 114 114 LYS HE3 H 1 2.78 0.02 . 2 . . . . 114 LYS HE3 . 18029 1 875 . 1 1 114 114 LYS C C 13 177.5 0.3 . 1 . . . . 114 LYS C . 18029 1 876 . 1 1 114 114 LYS CA C 13 54.7 0.3 . 1 . . . . 114 LYS CA . 18029 1 877 . 1 1 114 114 LYS CB C 13 31.4 0.3 . 1 . . . . 114 LYS CB . 18029 1 878 . 1 1 114 114 LYS CG C 13 24.2 0.3 . 1 . . . . 114 LYS CG . 18029 1 879 . 1 1 114 114 LYS CD C 13 28.1 0.3 . 1 . . . . 114 LYS CD . 18029 1 880 . 1 1 114 114 LYS CE C 13 41.7 0.3 . 1 . . . . 114 LYS CE . 18029 1 881 . 1 1 114 114 LYS N N 15 120.5 0.3 . 1 . . . . 114 LYS N . 18029 1 882 . 1 1 115 115 VAL H H 1 7.43 0.02 . 1 . . . . 115 VAL H . 18029 1 883 . 1 1 115 115 VAL HA H 1 3.86 0.02 . 1 . . . . 115 VAL HA . 18029 1 884 . 1 1 115 115 VAL HB H 1 2.39 0.02 . 1 . . . . 115 VAL HB . 18029 1 885 . 1 1 115 115 VAL C C 13 177.8 0.3 . 1 . . . . 115 VAL C . 18029 1 886 . 1 1 115 115 VAL CA C 13 66.4 0.3 . 1 . . . . 115 VAL CA . 18029 1 887 . 1 1 115 115 VAL CB C 13 31.7 0.3 . 1 . . . . 115 VAL CB . 18029 1 888 . 1 1 115 115 VAL CG1 C 13 21.7 0.3 . 1 . . . . 115 VAL CG1 . 18029 1 889 . 1 1 115 115 VAL CG2 C 13 21.3 0.3 . 1 . . . . 115 VAL CG2 . 18029 1 890 . 1 1 115 115 VAL N N 15 117.5 0.3 . 1 . . . . 115 VAL N . 18029 1 891 . 1 1 116 116 ASP H H 1 8.81 0.02 . 1 . . . . 116 ASP H . 18029 1 892 . 1 1 116 116 ASP HA H 1 4.54 0.02 . 1 . . . . 116 ASP HA . 18029 1 893 . 1 1 116 116 ASP HB2 H 1 2.67 0.02 . 2 . . . . 116 ASP HB2 . 18029 1 894 . 1 1 116 116 ASP HB3 H 1 2.65 0.02 . 2 . . . . 116 ASP HB3 . 18029 1 895 . 1 1 116 116 ASP C C 13 178.5 0.3 . 1 . . . . 116 ASP C . 18029 1 896 . 1 1 116 116 ASP CA C 13 56.7 0.3 . 1 . . . . 116 ASP CA . 18029 1 897 . 1 1 116 116 ASP CB C 13 38.6 0.3 . 1 . . . . 116 ASP CB . 18029 1 898 . 1 1 116 116 ASP N N 15 123.9 0.3 . 1 . . . . 116 ASP N . 18029 1 899 . 1 1 117 117 GLU H H 1 7.71 0.02 . 1 . . . . 117 GLU H . 18029 1 900 . 1 1 117 117 GLU HA H 1 3.37 0.02 . 1 . . . . 117 GLU HA . 18029 1 901 . 1 1 117 117 GLU HB2 H 1 1.70 0.02 . 2 . . . . 117 GLU HB2 . 18029 1 902 . 1 1 117 117 GLU HB3 H 1 1.53 0.02 . 2 . . . . 117 GLU HB3 . 18029 1 903 . 1 1 117 117 GLU HG2 H 1 2.23 0.02 . 2 . . . . 117 GLU HG2 . 18029 1 904 . 1 1 117 117 GLU HG3 H 1 2.14 0.02 . 2 . . . . 117 GLU HG3 . 18029 1 905 . 1 1 117 117 GLU C C 13 176.7 0.3 . 1 . . . . 117 GLU C . 18029 1 906 . 1 1 117 117 GLU CA C 13 59.5 0.3 . 1 . . . . 117 GLU CA . 18029 1 907 . 1 1 117 117 GLU CB C 13 30.4 0.3 . 1 . . . . 117 GLU CB . 18029 1 908 . 1 1 117 117 GLU CG C 13 37.7 0.3 . 1 . . . . 117 GLU CG . 18029 1 909 . 1 1 117 117 GLU N N 15 124.7 0.3 . 1 . . . . 117 GLU N . 18029 1 910 . 1 1 118 118 ARG H H 1 7.16 0.02 . 1 . . . . 118 ARG H . 18029 1 911 . 1 1 118 118 ARG HA H 1 4.41 0.02 . 1 . . . . 118 ARG HA . 18029 1 912 . 1 1 118 118 ARG HB2 H 1 1.82 0.02 . 2 . . . . 118 ARG HB2 . 18029 1 913 . 1 1 118 118 ARG HB3 H 1 1.86 0.02 . 2 . . . . 118 ARG HB3 . 18029 1 914 . 1 1 118 118 ARG HG2 H 1 1.66 0.02 . 2 . . . . 118 ARG HG2 . 18029 1 915 . 1 1 118 118 ARG HG3 H 1 1.52 0.02 . 2 . . . . 118 ARG HG3 . 18029 1 916 . 1 1 118 118 ARG HD2 H 1 3.09 0.02 . 2 . . . . 118 ARG HD2 . 18029 1 917 . 1 1 118 118 ARG HD3 H 1 3.16 0.02 . 2 . . . . 118 ARG HD3 . 18029 1 918 . 1 1 118 118 ARG C C 13 176.7 0.3 . 1 . . . . 118 ARG C . 18029 1 919 . 1 1 118 118 ARG CA C 13 56.2 0.3 . 1 . . . . 118 ARG CA . 18029 1 920 . 1 1 118 118 ARG CB C 13 30.2 0.3 . 1 . . . . 118 ARG CB . 18029 1 921 . 1 1 118 118 ARG CG C 13 26.4 0.3 . 1 . . . . 118 ARG CG . 18029 1 922 . 1 1 118 118 ARG CD C 13 42.8 0.3 . 1 . . . . 118 ARG CD . 18029 1 923 . 1 1 118 118 ARG N N 15 113.7 0.3 . 1 . . . . 118 ARG N . 18029 1 924 . 1 1 119 119 TRP H H 1 7.25 0.02 . 1 . . . . 119 TRP H . 18029 1 925 . 1 1 119 119 TRP HA H 1 4.98 0.02 . 1 . . . . 119 TRP HA . 18029 1 926 . 1 1 119 119 TRP HB2 H 1 3.58 0.02 . 2 . . . . 119 TRP HB2 . 18029 1 927 . 1 1 119 119 TRP HB3 H 1 3.33 0.02 . 2 . . . . 119 TRP HB3 . 18029 1 928 . 1 1 119 119 TRP C C 13 174.3 0.3 . 1 . . . . 119 TRP C . 18029 1 929 . 1 1 119 119 TRP CA C 13 55.5 0.3 . 1 . . . . 119 TRP CA . 18029 1 930 . 1 1 119 119 TRP CB C 13 30.6 0.3 . 1 . . . . 119 TRP CB . 18029 1 931 . 1 1 119 119 TRP N N 15 110.1 0.3 . 1 . . . . 119 TRP N . 18029 1 932 . 1 1 120 120 ARG H H 1 7.65 0.02 . 1 . . . . 120 ARG H . 18029 1 933 . 1 1 120 120 ARG HA H 1 4.55 0.02 . 1 . . . . 120 ARG HA . 18029 1 934 . 1 1 120 120 ARG HB2 H 1 1.79 0.02 . 2 . . . . 120 ARG HB2 . 18029 1 935 . 1 1 120 120 ARG HB3 H 1 1.83 0.02 . 2 . . . . 120 ARG HB3 . 18029 1 936 . 1 1 120 120 ARG HG2 H 1 1.68 0.02 . 2 . . . . 120 ARG HG2 . 18029 1 937 . 1 1 120 120 ARG HG3 H 1 1.66 0.02 . 2 . . . . 120 ARG HG3 . 18029 1 938 . 1 1 120 120 ARG HD2 H 1 2.94 0.02 . 2 . . . . 120 ARG HD2 . 18029 1 939 . 1 1 120 120 ARG HD3 H 1 2.92 0.02 . 2 . . . . 120 ARG HD3 . 18029 1 940 . 1 1 120 120 ARG C C 13 175.0 0.3 . 1 . . . . 120 ARG C . 18029 1 941 . 1 1 120 120 ARG CA C 13 59.2 0.3 . 1 . . . . 120 ARG CA . 18029 1 942 . 1 1 120 120 ARG CB C 13 33.7 0.3 . 1 . . . . 120 ARG CB . 18029 1 943 . 1 1 120 120 ARG CG C 13 28.8 0.3 . 1 . . . . 120 ARG CG . 18029 1 944 . 1 1 120 120 ARG CD C 13 41.6 0.3 . 1 . . . . 120 ARG CD . 18029 1 945 . 1 1 120 120 ARG N N 15 118.8 0.3 . 1 . . . . 120 ARG N . 18029 1 946 . 1 1 121 121 ASP H H 1 8.60 0.02 . 1 . . . . 121 ASP H . 18029 1 947 . 1 1 121 121 ASP HA H 1 4.44 0.02 . 1 . . . . 121 ASP HA . 18029 1 948 . 1 1 121 121 ASP HB2 H 1 2.21 0.02 . 2 . . . . 121 ASP HB2 . 18029 1 949 . 1 1 121 121 ASP HB3 H 1 2.74 0.02 . 2 . . . . 121 ASP HB3 . 18029 1 950 . 1 1 121 121 ASP C C 13 176.7 0.3 . 1 . . . . 121 ASP C . 18029 1 951 . 1 1 121 121 ASP CA C 13 56.2 0.3 . 1 . . . . 121 ASP CA . 18029 1 952 . 1 1 121 121 ASP CB C 13 42.4 0.3 . 1 . . . . 121 ASP CB . 18029 1 953 . 1 1 121 121 ASP N N 15 117.6 0.3 . 1 . . . . 121 ASP N . 18029 1 954 . 1 1 122 122 GLY H H 1 7.41 0.02 . 1 . . . . 122 GLY H . 18029 1 955 . 1 1 122 122 GLY HA2 H 1 4.24 0.02 . 2 . . . . 122 GLY HA2 . 18029 1 956 . 1 1 122 122 GLY HA3 H 1 3.19 0.02 . 2 . . . . 122 GLY HA3 . 18029 1 957 . 1 1 122 122 GLY C C 13 172.4 0.3 . 1 . . . . 122 GLY C . 18029 1 958 . 1 1 122 122 GLY CA C 13 43.3 0.3 . 1 . . . . 122 GLY CA . 18029 1 959 . 1 1 122 122 GLY N N 15 108.8 0.3 . 1 . . . . 122 GLY N . 18029 1 960 . 1 1 123 123 TRP H H 1 5.91 0.02 . 1 . . . . 123 TRP H . 18029 1 961 . 1 1 123 123 TRP HA H 1 4.80 0.02 . 1 . . . . 123 TRP HA . 18029 1 962 . 1 1 123 123 TRP HB2 H 1 3.57 0.02 . 2 . . . . 123 TRP HB2 . 18029 1 963 . 1 1 123 123 TRP HB3 H 1 3.34 0.02 . 2 . . . . 123 TRP HB3 . 18029 1 964 . 1 1 123 123 TRP C C 13 179.3 0.3 . 1 . . . . 123 TRP C . 18029 1 965 . 1 1 123 123 TRP CA C 13 55.8 0.3 . 1 . . . . 123 TRP CA . 18029 1 966 . 1 1 123 123 TRP CB C 13 30.2 0.3 . 1 . . . . 123 TRP CB . 18029 1 967 . 1 1 123 123 TRP N N 15 118.2 0.3 . 1 . . . . 123 TRP N . 18029 1 968 . 1 1 124 124 LYS H H 1 9.52 0.02 . 1 . . . . 124 LYS H . 18029 1 969 . 1 1 124 124 LYS HA H 1 4.08 0.02 . 1 . . . . 124 LYS HA . 18029 1 970 . 1 1 124 124 LYS HB2 H 1 1.87 0.02 . 2 . . . . 124 LYS HB2 . 18029 1 971 . 1 1 124 124 LYS HB3 H 1 1.78 0.02 . 2 . . . . 124 LYS HB3 . 18029 1 972 . 1 1 124 124 LYS HG2 H 1 1.45 0.02 . 2 . . . . 124 LYS HG2 . 18029 1 973 . 1 1 124 124 LYS HG3 H 1 1.48 0.02 . 2 . . . . 124 LYS HG3 . 18029 1 974 . 1 1 124 124 LYS HD2 H 1 1.61 0.02 . 2 . . . . 124 LYS HD2 . 18029 1 975 . 1 1 124 124 LYS HD3 H 1 1.66 0.02 . 2 . . . . 124 LYS HD3 . 18029 1 976 . 1 1 124 124 LYS HE2 H 1 2.91 0.02 . 2 . . . . 124 LYS HE2 . 18029 1 977 . 1 1 124 124 LYS HE3 H 1 2.97 0.02 . 2 . . . . 124 LYS HE3 . 18029 1 978 . 1 1 124 124 LYS C C 13 176.2 0.3 . 1 . . . . 124 LYS C . 18029 1 979 . 1 1 124 124 LYS CA C 13 58.1 0.3 . 1 . . . . 124 LYS CA . 18029 1 980 . 1 1 124 124 LYS CB C 13 31.6 0.3 . 1 . . . . 124 LYS CB . 18029 1 981 . 1 1 124 124 LYS CG C 13 25.0 0.3 . 1 . . . . 124 LYS CG . 18029 1 982 . 1 1 124 124 LYS CD C 13 28.5 0.3 . 1 . . . . 124 LYS CD . 18029 1 983 . 1 1 124 124 LYS CE C 13 41.6 0.3 . 1 . . . . 124 LYS CE . 18029 1 984 . 1 1 124 124 LYS N N 15 124.5 0.3 . 1 . . . . 124 LYS N . 18029 1 985 . 1 1 125 125 ASP H H 1 7.81 0.02 . 1 . . . . 125 ASP H . 18029 1 986 . 1 1 125 125 ASP HA H 1 4.38 0.02 . 1 . . . . 125 ASP HA . 18029 1 987 . 1 1 125 125 ASP HB2 H 1 2.98 0.02 . 2 . . . . 125 ASP HB2 . 18029 1 988 . 1 1 125 125 ASP HB3 H 1 2.54 0.02 . 2 . . . . 125 ASP HB3 . 18029 1 989 . 1 1 125 125 ASP C C 13 177.4 0.3 . 1 . . . . 125 ASP C . 18029 1 990 . 1 1 125 125 ASP CA C 13 53.3 0.3 . 1 . . . . 125 ASP CA . 18029 1 991 . 1 1 125 125 ASP CB C 13 39.1 0.3 . 1 . . . . 125 ASP CB . 18029 1 992 . 1 1 125 125 ASP N N 15 116.9 0.3 . 1 . . . . 125 ASP N . 18029 1 993 . 1 1 126 126 GLY H H 1 8.19 0.02 . 1 . . . . 126 GLY H . 18029 1 994 . 1 1 126 126 GLY HA2 H 1 4.12 0.02 . 2 . . . . 126 GLY HA2 . 18029 1 995 . 1 1 126 126 GLY HA3 H 1 3.98 0.02 . 2 . . . . 126 GLY HA3 . 18029 1 996 . 1 1 126 126 GLY C C 13 176.6 0.3 . 1 . . . . 126 GLY C . 18029 1 997 . 1 1 126 126 GLY CA C 13 45.7 0.3 . 1 . . . . 126 GLY CA . 18029 1 998 . 1 1 126 126 GLY N N 15 108.5 0.3 . 1 . . . . 126 GLY N . 18029 1 999 . 1 1 127 127 SER H H 1 8.29 0.02 . 1 . . . . 127 SER H . 18029 1 1000 . 1 1 127 127 SER HA H 1 4.05 0.02 . 1 . . . . 127 SER HA . 18029 1 1001 . 1 1 127 127 SER HB2 H 1 3.94 0.02 . 2 . . . . 127 SER HB2 . 18029 1 1002 . 1 1 127 127 SER HB3 H 1 3.86 0.02 . 2 . . . . 127 SER HB3 . 18029 1 1003 . 1 1 127 127 SER CA C 13 60.7 0.3 . 1 . . . . 127 SER CA . 18029 1 1004 . 1 1 127 127 SER CB C 13 62.3 0.3 . 1 . . . . 127 SER CB . 18029 1 1005 . 1 1 127 127 SER N N 15 114.9 0.3 . 1 . . . . 127 SER N . 18029 1 1006 . 1 1 128 128 CYS H H 1 9.17 0.02 . 1 . . . . 128 CYS H . 18029 1 1007 . 1 1 128 128 CYS HA H 1 4.94 0.02 . 1 . . . . 128 CYS HA . 18029 1 1008 . 1 1 128 128 CYS HB2 H 1 3.46 0.02 . 2 . . . . 128 CYS HB2 . 18029 1 1009 . 1 1 128 128 CYS HB3 H 1 3.08 0.02 . 2 . . . . 128 CYS HB3 . 18029 1 1010 . 1 1 128 128 CYS C C 13 174.1 0.3 . 1 . . . . 128 CYS C . 18029 1 1011 . 1 1 128 128 CYS CA C 13 54.7 0.3 . 1 . . . . 128 CYS CA . 18029 1 1012 . 1 1 128 128 CYS CB C 13 39.7 0.3 . 1 . . . . 128 CYS CB . 18029 1 1013 . 1 1 128 128 CYS N N 15 119.2 0.3 . 1 . . . . 128 CYS N . 18029 1 1014 . 1 1 129 129 ASP H H 1 7.67 0.02 . 1 . . . . 129 ASP H . 18029 1 1015 . 1 1 129 129 ASP HA H 1 4.34 0.02 . 1 . . . . 129 ASP HA . 18029 1 1016 . 1 1 129 129 ASP HB2 H 1 2.69 0.02 . 2 . . . . 129 ASP HB2 . 18029 1 1017 . 1 1 129 129 ASP HB3 H 1 2.60 0.02 . 2 . . . . 129 ASP HB3 . 18029 1 1018 . 1 1 129 129 ASP C C 13 180.9 0.3 . 1 . . . . 129 ASP C . 18029 1 1019 . 1 1 129 129 ASP CA C 13 56.3 0.3 . 1 . . . . 129 ASP CA . 18029 1 1020 . 1 1 129 129 ASP CB C 13 41.1 0.3 . 1 . . . . 129 ASP CB . 18029 1 1021 . 1 1 129 129 ASP N N 15 127.2 0.3 . 1 . . . . 129 ASP N . 18029 1 stop_ save_