data_4913 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4913 _Entry.Title ; Backbone 1H, 15N, and 13C Resonance Assignments of ARPP-19 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-07 _Entry.Accession_date 2000-12-07 _Entry.Last_release_date 2001-08-08 _Entry.Original_release_date 2001-08-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hsien-bin Huang . . . 4913 2 Yi-Cheng Chen . . . 4913 3 Atsuko Horiuchi . . . 4913 4 Li-huang Tsai . . . 4913 5 Hsin-tzu Liu . . . 4913 6 Chia-lin Chyan . . . 4913 7 Meng-Juei Hsieh . . . 4913 8 Chen-Kung Liu . . . 4913 9 Fang-Min Lin . . . 4913 10 Paul Greengard . . . 4913 11 Angus Nairn . C. . 4913 12 Ming-Shi Shiao . . . 4913 13 Ta-Hsien Lin . . . 4913 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4913 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 337 4913 '15N chemical shifts' 104 4913 '1H chemical shifts' 438 4913 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-08-08 2000-12-07 original author . 4913 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4913 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21262926 _Citation.DOI . _Citation.PubMed_ID 11370788 _Citation.Full_citation . _Citation.Title 'Backbone 1H, 15N, and 13C Resonance Assignments of ARPP-19' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 383 _Citation.Page_last 384 _Citation.Year 2001 _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 Hsien-bin Huang . . . 4913 1 2 Yi-Cheng Chen . . . 4913 1 3 Atsuko Horiuchi . . . 4913 1 4 Li-huang Tsai . . . 4913 1 5 Hsin-tzu Liu . . . 4913 1 6 Chia-lin Chyan . . . 4913 1 7 Meng-Juei Hsieh . . . 4913 1 8 Chen-Kung Liu . . . 4913 1 9 Fang-Min Lin . . . 4913 1 10 Paul Greengard . . . 4913 1 11 Angus Nairn . C. . 4913 1 12 Ming-Shi Shiao . . . 4913 1 13 Ta-Hsien Lin . . . 4913 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ARPP-19 4913 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ARPP-19 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ARPP-19 _Assembly.Entry_ID 4913 _Assembly.ID 1 _Assembly.Name 'cAMP-regulated phosphoprotein-19 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4913 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ARPP-19 monomer' 1 $ARPP-19 . . . native . . . . . 4913 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ARPP-19 abbreviation 4913 1 'cAMP-regulated phosphoprotein-19 monomer' system 4913 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARPP-19 _Entity.Sf_category entity _Entity.Sf_framecode ARPP-19 _Entity.Entry_ID 4913 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cAMP-regulated Phosphoprotein-19' _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 ; GSHMSAEVPEAASAEEQKEM EDKVTSPEKAEEAKLKARYP HLGQKPGGSDFLRKRLQKGQ KYFDSGDYNMAKAKMKNKQL PAAAPDKTEVTGDHIPTPQD LPQRKPSLVASKLAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAC33908 . "unnamed protein product [Mus musculus]" . . . . . 97.39 112 100.00 100.00 2.93e-73 . . . . 4913 1 2 no DBJ BAE88647 . "unnamed protein product [Macaca fascicularis]" . . . . . 83.48 96 100.00 100.00 6.09e-62 . . . . 4913 1 3 no DBJ BAG34694 . "unnamed protein product [Homo sapiens]" . . . . . 97.39 112 99.11 99.11 1.20e-72 . . . . 4913 1 4 no EMBL CAA06795 . "cAMP-regulated phosphoprotein [Sus scrofa]" . . . . . 97.39 112 99.11 99.11 1.20e-72 . . . . 4913 1 5 no EMBL CAA06796 . "cAMP-regulated phosphoprotein [Rattus norvegicus]" . . . . . 97.39 112 100.00 100.00 2.93e-73 . . . . 4913 1 6 no EMBL CAA06797 . "cAMP-regulated phosphoprotein [Mus musculus]" . . . . . 97.39 112 100.00 100.00 2.93e-73 . . . . 4913 1 7 no EMBL CAA11115 . "ARPP-19 [Homo sapiens]" . . . . . 97.39 112 99.11 99.11 1.20e-72 . . . . 4913 1 8 no EMBL CAD89929 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 133 98.26 98.26 2.58e-74 . . . . 4913 1 9 no GB AAA30385 . "cAMP-regulated phosphoprotein (ARPP-19) [Bos taurus]" . . . . . 83.48 96 97.92 97.92 8.79e-61 . . . . 4913 1 10 no GB AAA30386 . "cAMP-regulated phosphoprotein [Bos taurus]" . . . . . 97.39 112 98.21 98.21 4.28e-72 . . . . 4913 1 11 no GB AAB30131 . "ARPP-16=dopamine and cAMP-regulated phosphoprotein [human, brain, Peptide, 96 aa]" . . . . . 83.48 96 98.96 98.96 2.40e-61 . . . . 4913 1 12 no GB AAD52044 . "okadaic acid-inducible and cAMP-regulated phosphoprotein 19 [Homo sapiens]" . . . . . 97.39 112 99.11 99.11 1.20e-72 . . . . 4913 1 13 no GB AAH03418 . "Cyclic AMP phosphoprotein, 19 kD [Homo sapiens]" . . . . . 97.39 112 99.11 99.11 1.20e-72 . . . . 4913 1 14 no PRF 2007396C . "phosphoprotein ARPP-16" . . . . . 83.48 96 98.96 98.96 2.40e-61 . . . . 4913 1 15 no REF NP_001106726 . "cAMP-regulated phosphoprotein 19 isoform 1 [Bos taurus]" . . . . . 97.39 112 98.21 98.21 4.28e-72 . . . . 4913 1 16 no REF NP_001136127 . "cAMP-regulated phosphoprotein 19 isoform 2 [Mus musculus]" . . . . . 99.13 145 99.12 99.12 1.13e-73 . . . . 4913 1 17 no REF NP_001232557 . "cAMP-regulated phosphoprotein 19 [Taeniopygia guttata]" . . . . . 83.48 96 97.92 97.92 2.34e-60 . . . . 4913 1 18 no REF NP_001253378 . "cAMP-regulated phosphoprotein 19 [Macaca mulatta]" . . . . . 97.39 112 100.00 100.00 2.93e-73 . . . . 4913 1 19 no REF NP_001270344 . "uncharacterized protein LOC101925425 [Macaca fascicularis]" . . . . . 83.48 96 100.00 100.00 6.09e-62 . . . . 4913 1 20 no SP P56211 . "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Homo sapiens]" . . . . . 97.39 112 99.11 99.11 1.20e-72 . . . . 4913 1 21 no SP P56212 . "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Mus musculus]" . . . . . 97.39 112 100.00 100.00 2.93e-73 . . . . 4913 1 22 no SP Q28055 . "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Bos taurus]" . . . . . 97.39 112 98.21 98.21 4.28e-72 . . . . 4913 1 23 no SP Q712U5 . "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Rattus norvegicus]" . . . . . 97.39 112 100.00 100.00 2.93e-73 . . . . 4913 1 24 no SP Q712U6 . "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Sus scrofa]" . . . . . 97.39 112 99.11 99.11 1.20e-72 . . . . 4913 1 25 no TPG DAA25194 . "TPA: cAMP-regulated phosphoprotein 19 isoform 1 [Bos taurus]" . . . . . 97.39 112 98.21 98.21 4.28e-72 . . . . 4913 1 26 no TPG DAA25195 . "TPA: cAMP-regulated phosphoprotein 19 isoform 2 [Bos taurus]" . . . . . 83.48 96 97.92 97.92 8.79e-61 . . . . 4913 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ARPP-19 abbreviation 4913 1 'cAMP-regulated Phosphoprotein-19' common 4913 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4913 1 2 . SER . 4913 1 3 . HIS . 4913 1 4 . MET . 4913 1 5 . SER . 4913 1 6 . ALA . 4913 1 7 . GLU . 4913 1 8 . VAL . 4913 1 9 . PRO . 4913 1 10 . GLU . 4913 1 11 . ALA . 4913 1 12 . ALA . 4913 1 13 . SER . 4913 1 14 . ALA . 4913 1 15 . GLU . 4913 1 16 . GLU . 4913 1 17 . GLN . 4913 1 18 . LYS . 4913 1 19 . GLU . 4913 1 20 . MET . 4913 1 21 . GLU . 4913 1 22 . ASP . 4913 1 23 . LYS . 4913 1 24 . VAL . 4913 1 25 . THR . 4913 1 26 . SER . 4913 1 27 . PRO . 4913 1 28 . GLU . 4913 1 29 . LYS . 4913 1 30 . ALA . 4913 1 31 . GLU . 4913 1 32 . GLU . 4913 1 33 . ALA . 4913 1 34 . LYS . 4913 1 35 . LEU . 4913 1 36 . LYS . 4913 1 37 . ALA . 4913 1 38 . ARG . 4913 1 39 . TYR . 4913 1 40 . PRO . 4913 1 41 . HIS . 4913 1 42 . LEU . 4913 1 43 . GLY . 4913 1 44 . GLN . 4913 1 45 . LYS . 4913 1 46 . PRO . 4913 1 47 . GLY . 4913 1 48 . GLY . 4913 1 49 . SER . 4913 1 50 . ASP . 4913 1 51 . PHE . 4913 1 52 . LEU . 4913 1 53 . ARG . 4913 1 54 . LYS . 4913 1 55 . ARG . 4913 1 56 . LEU . 4913 1 57 . GLN . 4913 1 58 . LYS . 4913 1 59 . GLY . 4913 1 60 . GLN . 4913 1 61 . LYS . 4913 1 62 . TYR . 4913 1 63 . PHE . 4913 1 64 . ASP . 4913 1 65 . SER . 4913 1 66 . GLY . 4913 1 67 . ASP . 4913 1 68 . TYR . 4913 1 69 . ASN . 4913 1 70 . MET . 4913 1 71 . ALA . 4913 1 72 . LYS . 4913 1 73 . ALA . 4913 1 74 . LYS . 4913 1 75 . MET . 4913 1 76 . LYS . 4913 1 77 . ASN . 4913 1 78 . LYS . 4913 1 79 . GLN . 4913 1 80 . LEU . 4913 1 81 . PRO . 4913 1 82 . ALA . 4913 1 83 . ALA . 4913 1 84 . ALA . 4913 1 85 . PRO . 4913 1 86 . ASP . 4913 1 87 . LYS . 4913 1 88 . THR . 4913 1 89 . GLU . 4913 1 90 . VAL . 4913 1 91 . THR . 4913 1 92 . GLY . 4913 1 93 . ASP . 4913 1 94 . HIS . 4913 1 95 . ILE . 4913 1 96 . PRO . 4913 1 97 . THR . 4913 1 98 . PRO . 4913 1 99 . GLN . 4913 1 100 . ASP . 4913 1 101 . LEU . 4913 1 102 . PRO . 4913 1 103 . GLN . 4913 1 104 . ARG . 4913 1 105 . LYS . 4913 1 106 . PRO . 4913 1 107 . SER . 4913 1 108 . LEU . 4913 1 109 . VAL . 4913 1 110 . ALA . 4913 1 111 . SER . 4913 1 112 . LYS . 4913 1 113 . LEU . 4913 1 114 . ALA . 4913 1 115 . GLY . 4913 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 4913 1 . SER 2 2 4913 1 . HIS 3 3 4913 1 . MET 4 4 4913 1 . SER 5 5 4913 1 . ALA 6 6 4913 1 . GLU 7 7 4913 1 . VAL 8 8 4913 1 . PRO 9 9 4913 1 . GLU 10 10 4913 1 . ALA 11 11 4913 1 . ALA 12 12 4913 1 . SER 13 13 4913 1 . ALA 14 14 4913 1 . GLU 15 15 4913 1 . GLU 16 16 4913 1 . GLN 17 17 4913 1 . LYS 18 18 4913 1 . GLU 19 19 4913 1 . MET 20 20 4913 1 . GLU 21 21 4913 1 . ASP 22 22 4913 1 . LYS 23 23 4913 1 . VAL 24 24 4913 1 . THR 25 25 4913 1 . SER 26 26 4913 1 . PRO 27 27 4913 1 . GLU 28 28 4913 1 . LYS 29 29 4913 1 . ALA 30 30 4913 1 . GLU 31 31 4913 1 . GLU 32 32 4913 1 . ALA 33 33 4913 1 . LYS 34 34 4913 1 . LEU 35 35 4913 1 . LYS 36 36 4913 1 . ALA 37 37 4913 1 . ARG 38 38 4913 1 . TYR 39 39 4913 1 . PRO 40 40 4913 1 . HIS 41 41 4913 1 . LEU 42 42 4913 1 . GLY 43 43 4913 1 . GLN 44 44 4913 1 . LYS 45 45 4913 1 . PRO 46 46 4913 1 . GLY 47 47 4913 1 . GLY 48 48 4913 1 . SER 49 49 4913 1 . ASP 50 50 4913 1 . PHE 51 51 4913 1 . LEU 52 52 4913 1 . ARG 53 53 4913 1 . LYS 54 54 4913 1 . ARG 55 55 4913 1 . LEU 56 56 4913 1 . GLN 57 57 4913 1 . LYS 58 58 4913 1 . GLY 59 59 4913 1 . GLN 60 60 4913 1 . LYS 61 61 4913 1 . TYR 62 62 4913 1 . PHE 63 63 4913 1 . ASP 64 64 4913 1 . SER 65 65 4913 1 . GLY 66 66 4913 1 . ASP 67 67 4913 1 . TYR 68 68 4913 1 . ASN 69 69 4913 1 . MET 70 70 4913 1 . ALA 71 71 4913 1 . LYS 72 72 4913 1 . ALA 73 73 4913 1 . LYS 74 74 4913 1 . MET 75 75 4913 1 . LYS 76 76 4913 1 . ASN 77 77 4913 1 . LYS 78 78 4913 1 . GLN 79 79 4913 1 . LEU 80 80 4913 1 . PRO 81 81 4913 1 . ALA 82 82 4913 1 . ALA 83 83 4913 1 . ALA 84 84 4913 1 . PRO 85 85 4913 1 . ASP 86 86 4913 1 . LYS 87 87 4913 1 . THR 88 88 4913 1 . GLU 89 89 4913 1 . VAL 90 90 4913 1 . THR 91 91 4913 1 . GLY 92 92 4913 1 . ASP 93 93 4913 1 . HIS 94 94 4913 1 . ILE 95 95 4913 1 . PRO 96 96 4913 1 . THR 97 97 4913 1 . PRO 98 98 4913 1 . GLN 99 99 4913 1 . ASP 100 100 4913 1 . LEU 101 101 4913 1 . PRO 102 102 4913 1 . GLN 103 103 4913 1 . ARG 104 104 4913 1 . LYS 105 105 4913 1 . PRO 106 106 4913 1 . SER 107 107 4913 1 . LEU 108 108 4913 1 . VAL 109 109 4913 1 . ALA 110 110 4913 1 . SER 111 111 4913 1 . LYS 112 112 4913 1 . LEU 113 113 4913 1 . ALA 114 114 4913 1 . GLY 115 115 4913 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4913 _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 $ARPP-19 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4913 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 4913 _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 $ARPP-19 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4913 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4913 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'cAMP-regulated Phosphoprotein-19' '[U-15N; U-13C]' . . 1 $ARPP-19 . . . 1.0 1.8 mM . . . . 4913 1 stop_ save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode ex-cond_1 _Sample_condition_list.Entry_ID 4913 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 n/a 4913 1 temperature 296 0.2 K 4913 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4913 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4913 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 500 . . . 4913 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 4913 _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 'HBHA(CBCACO)NH and 1H-15N-TOCSY-HSQC were used for the assignments' . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4913 1 2 'of 1Ha resonances' . . . . . . . . . . . 1 $sample_1 . . . 1 $ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4913 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4913 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4913 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4913 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4913 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_ARPP-19_CS _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ARPP-19_CS _Assigned_chem_shift_list.Entry_ID 4913 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4913 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.879 0.02 . 1 . . . . . . . . 4913 1 2 . 1 1 1 1 GLY HA3 H 1 3.879 0.02 . 1 . . . . . . . . 4913 1 3 . 1 1 1 1 GLY C C 13 178.244 0.15 . 1 . . . . . . . . 4913 1 4 . 1 1 1 1 GLY CA C 13 43.297 0.15 . 1 . . . . . . . . 4913 1 5 . 1 1 2 2 SER H H 1 8.688 0.02 . 1 . . . . . . . . 4913 1 6 . 1 1 2 2 SER HA H 1 4.456 0.02 . 1 . . . . . . . . 4913 1 7 . 1 1 2 2 SER HB2 H 1 3.813 0.02 . 1 . . . . . . . . 4913 1 8 . 1 1 2 2 SER HB3 H 1 3.813 0.02 . 1 . . . . . . . . 4913 1 9 . 1 1 2 2 SER C C 13 174.322 0.15 . 1 . . . . . . . . 4913 1 10 . 1 1 2 2 SER CA C 13 58.214 0.15 . 1 . . . . . . . . 4913 1 11 . 1 1 2 2 SER CB C 13 63.876 0.15 . 1 . . . . . . . . 4913 1 12 . 1 1 2 2 SER N N 15 115.605 0.15 . 1 . . . . . . . . 4913 1 13 . 1 1 3 3 HIS H H 1 8.739 0.02 . 1 . . . . . . . . 4913 1 14 . 1 1 3 3 HIS HA H 1 4.722 0.02 . 1 . . . . . . . . 4913 1 15 . 1 1 3 3 HIS HB2 H 1 3.280 0.02 . 1 . . . . . . . . 4913 1 16 . 1 1 3 3 HIS HB3 H 1 3.168 0.02 . 1 . . . . . . . . 4913 1 17 . 1 1 3 3 HIS C C 13 174.325 0.15 . 1 . . . . . . . . 4913 1 18 . 1 1 3 3 HIS CA C 13 55.363 0.15 . 1 . . . . . . . . 4913 1 19 . 1 1 3 3 HIS CB C 13 28.830 0.15 . 1 . . . . . . . . 4913 1 20 . 1 1 3 3 HIS N N 15 120.543 0.15 . 1 . . . . . . . . 4913 1 21 . 1 1 4 4 MET H H 1 8.502 0.02 . 1 . . . . . . . . 4913 1 22 . 1 1 4 4 MET HA H 1 4.485 0.02 . 1 . . . . . . . . 4913 1 23 . 1 1 4 4 MET HB2 H 1 2.076 0.02 . 1 . . . . . . . . 4913 1 24 . 1 1 4 4 MET HB3 H 1 1.968 0.02 . 1 . . . . . . . . 4913 1 25 . 1 1 4 4 MET C C 13 176.119 0.15 . 1 . . . . . . . . 4913 1 26 . 1 1 4 4 MET CA C 13 55.486 0.15 . 1 . . . . . . . . 4913 1 27 . 1 1 4 4 MET CB C 13 32.852 0.15 . 1 . . . . . . . . 4913 1 28 . 1 1 4 4 MET N N 15 122.097 0.15 . 1 . . . . . . . . 4913 1 29 . 1 1 5 5 SER H H 1 8.402 0.02 . 1 . . . . . . . . 4913 1 30 . 1 1 5 5 SER HA H 1 4.418 0.02 . 1 . . . . . . . . 4913 1 31 . 1 1 5 5 SER HB2 H 1 3.860 0.02 . 1 . . . . . . . . 4913 1 32 . 1 1 5 5 SER HB3 H 1 3.860 0.02 . 1 . . . . . . . . 4913 1 33 . 1 1 5 5 SER C C 13 174.054 0.15 . 1 . . . . . . . . 4913 1 34 . 1 1 5 5 SER CA C 13 58.282 0.15 . 1 . . . . . . . . 4913 1 35 . 1 1 5 5 SER CB C 13 63.717 0.15 . 1 . . . . . . . . 4913 1 36 . 1 1 5 5 SER N N 15 117.490 0.15 . 1 . . . . . . . . 4913 1 37 . 1 1 6 6 ALA H H 1 8.364 0.02 . 1 . . . . . . . . 4913 1 38 . 1 1 6 6 ALA HA H 1 4.331 0.02 . 1 . . . . . . . . 4913 1 39 . 1 1 6 6 ALA HB1 H 1 1.369 0.02 . 1 . . . . . . . . 4913 1 40 . 1 1 6 6 ALA HB2 H 1 1.369 0.02 . 1 . . . . . . . . 4913 1 41 . 1 1 6 6 ALA HB3 H 1 1.369 0.02 . 1 . . . . . . . . 4913 1 42 . 1 1 6 6 ALA C C 13 177.420 0.15 . 1 . . . . . . . . 4913 1 43 . 1 1 6 6 ALA CA C 13 52.354 0.15 . 1 . . . . . . . . 4913 1 44 . 1 1 6 6 ALA CB C 13 19.235 0.15 . 1 . . . . . . . . 4913 1 45 . 1 1 6 6 ALA N N 15 125.764 0.15 . 1 . . . . . . . . 4913 1 46 . 1 1 7 7 GLU H H 1 8.314 0.02 . 1 . . . . . . . . 4913 1 47 . 1 1 7 7 GLU HA H 1 4.271 0.02 . 1 . . . . . . . . 4913 1 48 . 1 1 7 7 GLU HB2 H 1 2.009 0.02 . 1 . . . . . . . . 4913 1 49 . 1 1 7 7 GLU HB3 H 1 1.908 0.02 . 1 . . . . . . . . 4913 1 50 . 1 1 7 7 GLU C C 13 176.116 0.15 . 1 . . . . . . . . 4913 1 51 . 1 1 7 7 GLU CA C 13 56.240 0.15 . 1 . . . . . . . . 4913 1 52 . 1 1 7 7 GLU CB C 13 29.829 0.15 . 1 . . . . . . . . 4913 1 53 . 1 1 7 7 GLU N N 15 119.962 0.15 . 1 . . . . . . . . 4913 1 54 . 1 1 8 8 VAL H H 1 8.176 0.02 . 1 . . . . . . . . 4913 1 55 . 1 1 8 8 VAL HA H 1 4.406 0.02 . 1 . . . . . . . . 4913 1 56 . 1 1 8 8 VAL HB H 1 2.081 0.02 . 1 . . . . . . . . 4913 1 57 . 1 1 8 8 VAL C C 13 174.372 0.15 . 1 . . . . . . . . 4913 1 58 . 1 1 8 8 VAL CA C 13 59.738 0.15 . 1 . . . . . . . . 4913 1 59 . 1 1 8 8 VAL CB C 13 32.482 0.15 . 1 . . . . . . . . 4913 1 60 . 1 1 8 8 VAL N N 15 122.629 0.15 . 1 . . . . . . . . 4913 1 61 . 1 1 9 9 PRO HA H 1 4.384 0.02 . 1 . . . . . . . . 4913 1 62 . 1 1 9 9 PRO HB2 H 1 2.283 0.02 . 1 . . . . . . . . 4913 1 63 . 1 1 9 9 PRO HB3 H 1 1.878 0.02 . 1 . . . . . . . . 4913 1 64 . 1 1 9 9 PRO C C 13 176.988 0.15 . 1 . . . . . . . . 4913 1 65 . 1 1 9 9 PRO CA C 13 63.227 0.15 . 1 . . . . . . . . 4913 1 66 . 1 1 9 9 PRO CB C 13 32.056 0.15 . 1 . . . . . . . . 4913 1 67 . 1 1 10 10 GLU H H 1 8.496 0.02 . 1 . . . . . . . . 4913 1 68 . 1 1 10 10 GLU HA H 1 4.216 0.02 . 1 . . . . . . . . 4913 1 69 . 1 1 10 10 GLU HB2 H 1 2.033 0.02 . 1 . . . . . . . . 4913 1 70 . 1 1 10 10 GLU HB3 H 1 1.951 0.02 . 1 . . . . . . . . 4913 1 71 . 1 1 10 10 GLU C C 13 176.304 0.15 . 1 . . . . . . . . 4913 1 72 . 1 1 10 10 GLU CA C 13 56.488 0.15 . 1 . . . . . . . . 4913 1 73 . 1 1 10 10 GLU CB C 13 29.653 0.15 . 1 . . . . . . . . 4913 1 74 . 1 1 10 10 GLU N N 15 121.057 0.15 . 1 . . . . . . . . 4913 1 75 . 1 1 11 11 ALA H H 1 8.329 0.02 . 1 . . . . . . . . 4913 1 76 . 1 1 11 11 ALA HA H 1 4.270 0.02 . 1 . . . . . . . . 4913 1 77 . 1 1 11 11 ALA HB1 H 1 1.378 0.02 . 1 . . . . . . . . 4913 1 78 . 1 1 11 11 ALA HB2 H 1 1.378 0.02 . 1 . . . . . . . . 4913 1 79 . 1 1 11 11 ALA HB3 H 1 1.378 0.02 . 1 . . . . . . . . 4913 1 80 . 1 1 11 11 ALA C C 13 177.623 0.15 . 1 . . . . . . . . 4913 1 81 . 1 1 11 11 ALA CA C 13 52.518 0.15 . 1 . . . . . . . . 4913 1 82 . 1 1 11 11 ALA CB C 13 19.116 0.15 . 1 . . . . . . . . 4913 1 83 . 1 1 11 11 ALA N N 15 125.182 0.15 . 1 . . . . . . . . 4913 1 84 . 1 1 12 12 ALA H H 1 8.278 0.02 . 1 . . . . . . . . 4913 1 85 . 1 1 12 12 ALA HA H 1 4.306 0.02 . 1 . . . . . . . . 4913 1 86 . 1 1 12 12 ALA HB1 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 87 . 1 1 12 12 ALA HB2 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 88 . 1 1 12 12 ALA HB3 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 89 . 1 1 12 12 ALA C C 13 178.073 0.15 . 1 . . . . . . . . 4913 1 90 . 1 1 12 12 ALA CA C 13 52.627 0.15 . 1 . . . . . . . . 4913 1 91 . 1 1 12 12 ALA CB C 13 19.107 0.15 . 1 . . . . . . . . 4913 1 92 . 1 1 12 12 ALA N N 15 123.251 0.15 . 1 . . . . . . . . 4913 1 93 . 1 1 13 13 SER H H 1 8.253 0.02 . 1 . . . . . . . . 4913 1 94 . 1 1 13 13 SER HA H 1 4.402 0.02 . 1 . . . . . . . . 4913 1 95 . 1 1 13 13 SER HB2 H 1 3.985 0.02 . 1 . . . . . . . . 4913 1 96 . 1 1 13 13 SER HB3 H 1 3.885 0.02 . 1 . . . . . . . . 4913 1 97 . 1 1 13 13 SER C C 13 174.828 0.15 . 1 . . . . . . . . 4913 1 98 . 1 1 13 13 SER CA C 13 58.318 0.15 . 1 . . . . . . . . 4913 1 99 . 1 1 13 13 SER CB C 13 63.870 0.15 . 1 . . . . . . . . 4913 1 100 . 1 1 13 13 SER N N 15 115.142 0.15 . 1 . . . . . . . . 4913 1 101 . 1 1 14 14 ALA H H 1 8.435 0.02 . 1 . . . . . . . . 4913 1 102 . 1 1 14 14 ALA HA H 1 4.254 0.02 . 1 . . . . . . . . 4913 1 103 . 1 1 14 14 ALA HB1 H 1 1.418 0.02 . 1 . . . . . . . . 4913 1 104 . 1 1 14 14 ALA HB2 H 1 1.418 0.02 . 1 . . . . . . . . 4913 1 105 . 1 1 14 14 ALA HB3 H 1 1.418 0.02 . 1 . . . . . . . . 4913 1 106 . 1 1 14 14 ALA C C 13 178.770 0.15 . 1 . . . . . . . . 4913 1 107 . 1 1 14 14 ALA CA C 13 53.502 0.15 . 1 . . . . . . . . 4913 1 108 . 1 1 14 14 ALA CB C 13 18.776 0.15 . 1 . . . . . . . . 4913 1 109 . 1 1 14 14 ALA N N 15 125.653 0.15 . 1 . . . . . . . . 4913 1 110 . 1 1 15 15 GLU H H 1 8.319 0.02 . 1 . . . . . . . . 4913 1 111 . 1 1 15 15 GLU HA H 1 4.185 0.02 . 1 . . . . . . . . 4913 1 112 . 1 1 15 15 GLU HB2 H 1 2.014 0.02 . 1 . . . . . . . . 4913 1 113 . 1 1 15 15 GLU HB3 H 1 2.014 0.02 . 1 . . . . . . . . 4913 1 114 . 1 1 15 15 GLU C C 13 177.228 0.15 . 1 . . . . . . . . 4913 1 115 . 1 1 15 15 GLU CA C 13 57.369 0.15 . 1 . . . . . . . . 4913 1 116 . 1 1 15 15 GLU CB C 13 29.304 0.15 . 1 . . . . . . . . 4913 1 117 . 1 1 15 15 GLU N N 15 118.951 0.15 . 1 . . . . . . . . 4913 1 118 . 1 1 16 16 GLU H H 1 8.178 0.02 . 1 . . . . . . . . 4913 1 119 . 1 1 16 16 GLU HA H 1 4.174 0.02 . 1 . . . . . . . . 4913 1 120 . 1 1 16 16 GLU HB2 H 1 2.040 0.02 . 1 . . . . . . . . 4913 1 121 . 1 1 16 16 GLU C C 13 177.229 0.15 . 1 . . . . . . . . 4913 1 122 . 1 1 16 16 GLU CA C 13 57.296 0.15 . 1 . . . . . . . . 4913 1 123 . 1 1 16 16 GLU CB C 13 29.310 0.15 . 1 . . . . . . . . 4913 1 124 . 1 1 16 16 GLU N N 15 120.963 0.15 . 1 . . . . . . . . 4913 1 125 . 1 1 17 17 GLN H H 1 8.296 0.02 . 1 . . . . . . . . 4913 1 126 . 1 1 17 17 GLN HA H 1 4.198 0.02 . 1 . . . . . . . . 4913 1 127 . 1 1 17 17 GLN HB2 H 1 2.101 0.02 . 1 . . . . . . . . 4913 1 128 . 1 1 17 17 GLN HB3 H 1 2.015 0.02 . 1 . . . . . . . . 4913 1 129 . 1 1 17 17 GLN C C 13 176.795 0.15 . 1 . . . . . . . . 4913 1 130 . 1 1 17 17 GLN CA C 13 56.897 0.15 . 1 . . . . . . . . 4913 1 131 . 1 1 17 17 GLN CB C 13 28.971 0.15 . 1 . . . . . . . . 4913 1 132 . 1 1 17 17 GLN N N 15 120.526 0.15 . 1 . . . . . . . . 4913 1 133 . 1 1 18 18 LYS H H 1 8.129 0.02 . 1 . . . . . . . . 4913 1 134 . 1 1 18 18 LYS HA H 1 4.203 0.02 . 1 . . . . . . . . 4913 1 135 . 1 1 18 18 LYS HB2 H 1 1.824 0.02 . 1 . . . . . . . . 4913 1 136 . 1 1 18 18 LYS HB3 H 1 1.824 0.02 . 1 . . . . . . . . 4913 1 137 . 1 1 18 18 LYS C C 13 177.258 0.15 . 1 . . . . . . . . 4913 1 138 . 1 1 18 18 LYS CA C 13 57.228 0.15 . 1 . . . . . . . . 4913 1 139 . 1 1 18 18 LYS CB C 13 32.581 0.15 . 1 . . . . . . . . 4913 1 140 . 1 1 18 18 LYS N N 15 121.625 0.15 . 1 . . . . . . . . 4913 1 141 . 1 1 19 19 GLU H H 1 8.245 0.02 . 1 . . . . . . . . 4913 1 142 . 1 1 19 19 GLU HA H 1 4.230 0.02 . 1 . . . . . . . . 4913 1 143 . 1 1 19 19 GLU HB2 H 1 2.080 0.02 . 1 . . . . . . . . 4913 1 144 . 1 1 19 19 GLU HB3 H 1 2.014 0.02 . 1 . . . . . . . . 4913 1 145 . 1 1 19 19 GLU C C 13 177.075 0.15 . 1 . . . . . . . . 4913 1 146 . 1 1 19 19 GLU CA C 13 57.090 0.15 . 1 . . . . . . . . 4913 1 147 . 1 1 19 19 GLU CB C 13 29.259 0.15 . 1 . . . . . . . . 4913 1 148 . 1 1 19 19 GLU N N 15 120.130 0.15 . 1 . . . . . . . . 4913 1 149 . 1 1 20 20 MET H H 1 8.181 0.02 . 1 . . . . . . . . 4913 1 150 . 1 1 20 20 MET HA H 1 4.388 0.02 . 1 . . . . . . . . 4913 1 151 . 1 1 20 20 MET HB2 H 1 2.084 0.02 . 1 . . . . . . . . 4913 1 152 . 1 1 20 20 MET HB3 H 1 2.084 0.02 . 1 . . . . . . . . 4913 1 153 . 1 1 20 20 MET C C 13 176.870 0.15 . 1 . . . . . . . . 4913 1 154 . 1 1 20 20 MET CA C 13 56.042 0.15 . 1 . . . . . . . . 4913 1 155 . 1 1 20 20 MET CB C 13 32.608 0.15 . 1 . . . . . . . . 4913 1 156 . 1 1 20 20 MET N N 15 119.841 0.15 . 1 . . . . . . . . 4913 1 157 . 1 1 21 21 GLU H H 1 8.221 0.02 . 1 . . . . . . . . 4913 1 158 . 1 1 21 21 GLU HA H 1 4.232 0.02 . 1 . . . . . . . . 4913 1 159 . 1 1 21 21 GLU HB2 H 1 2.043 0.02 . 1 . . . . . . . . 4913 1 160 . 1 1 21 21 GLU HB3 H 1 2.043 0.02 . 1 . . . . . . . . 4913 1 161 . 1 1 21 21 GLU C C 13 176.504 0.15 . 1 . . . . . . . . 4913 1 162 . 1 1 21 21 GLU CA C 13 56.895 0.15 . 1 . . . . . . . . 4913 1 163 . 1 1 21 21 GLU CB C 13 29.512 0.15 . 1 . . . . . . . . 4913 1 164 . 1 1 21 21 GLU N N 15 120.913 0.15 . 1 . . . . . . . . 4913 1 165 . 1 1 22 22 ASP H H 1 8.325 0.02 . 1 . . . . . . . . 4913 1 166 . 1 1 22 22 ASP HA H 1 4.570 0.02 . 1 . . . . . . . . 4913 1 167 . 1 1 22 22 ASP HB2 H 1 2.707 0.02 . 1 . . . . . . . . 4913 1 168 . 1 1 22 22 ASP HB3 H 1 2.707 0.02 . 1 . . . . . . . . 4913 1 169 . 1 1 22 22 ASP C C 13 176.119 0.15 . 1 . . . . . . . . 4913 1 170 . 1 1 22 22 ASP CA C 13 54.379 0.15 . 1 . . . . . . . . 4913 1 171 . 1 1 22 22 ASP CB C 13 40.415 0.15 . 1 . . . . . . . . 4913 1 172 . 1 1 22 22 ASP N N 15 120.482 0.15 . 1 . . . . . . . . 4913 1 173 . 1 1 23 23 LYS H H 1 8.073 0.02 . 1 . . . . . . . . 4913 1 174 . 1 1 23 23 LYS HA H 1 4.301 0.02 . 1 . . . . . . . . 4913 1 175 . 1 1 23 23 LYS HB2 H 1 1.848 0.02 . 1 . . . . . . . . 4913 1 176 . 1 1 23 23 LYS HB3 H 1 1.780 0.02 . 1 . . . . . . . . 4913 1 177 . 1 1 23 23 LYS C C 13 176.678 0.15 . 1 . . . . . . . . 4913 1 178 . 1 1 23 23 LYS CA C 13 56.460 0.15 . 1 . . . . . . . . 4913 1 179 . 1 1 23 23 LYS CB C 13 32.817 0.15 . 1 . . . . . . . . 4913 1 180 . 1 1 23 23 LYS N N 15 120.778 0.15 . 1 . . . . . . . . 4913 1 181 . 1 1 24 24 VAL H H 1 8.067 0.02 . 1 . . . . . . . . 4913 1 182 . 1 1 24 24 VAL HA H 1 4.185 0.02 . 1 . . . . . . . . 4913 1 183 . 1 1 24 24 VAL HB H 1 2.087 0.02 . 1 . . . . . . . . 4913 1 184 . 1 1 24 24 VAL C C 13 176.464 0.15 . 1 . . . . . . . . 4913 1 185 . 1 1 24 24 VAL CA C 13 62.551 0.15 . 1 . . . . . . . . 4913 1 186 . 1 1 24 24 VAL CB C 13 32.626 0.15 . 1 . . . . . . . . 4913 1 187 . 1 1 24 24 VAL N N 15 120.581 0.15 . 1 . . . . . . . . 4913 1 188 . 1 1 25 25 THR H H 1 8.226 0.02 . 1 . . . . . . . . 4913 1 189 . 1 1 25 25 THR HA H 1 4.348 0.02 . 1 . . . . . . . . 4913 1 190 . 1 1 25 25 THR HB H 1 4.176 0.02 . 1 . . . . . . . . 4913 1 191 . 1 1 25 25 THR C C 13 174.275 0.15 . 1 . . . . . . . . 4913 1 192 . 1 1 25 25 THR CA C 13 61.817 0.15 . 1 . . . . . . . . 4913 1 193 . 1 1 25 25 THR CB C 13 69.773 0.15 . 1 . . . . . . . . 4913 1 194 . 1 1 25 25 THR N N 15 117.839 0.15 . 1 . . . . . . . . 4913 1 195 . 1 1 26 26 SER H H 1 8.320 0.02 . 1 . . . . . . . . 4913 1 196 . 1 1 26 26 SER HA H 1 4.777 0.02 . 1 . . . . . . . . 4913 1 197 . 1 1 26 26 SER HB2 H 1 3.919 0.02 . 1 . . . . . . . . 4913 1 198 . 1 1 26 26 SER HB3 H 1 3.919 0.02 . 1 . . . . . . . . 4913 1 199 . 1 1 26 26 SER C C 13 173.166 0.15 . 1 . . . . . . . . 4913 1 200 . 1 1 26 26 SER CA C 13 56.520 0.15 . 1 . . . . . . . . 4913 1 201 . 1 1 26 26 SER CB C 13 63.208 0.15 . 1 . . . . . . . . 4913 1 202 . 1 1 26 26 SER N N 15 119.463 0.15 . 1 . . . . . . . . 4913 1 203 . 1 1 27 27 PRO HA H 1 4.396 0.02 . 1 . . . . . . . . 4913 1 204 . 1 1 27 27 PRO HB2 H 1 2.317 0.02 . 1 . . . . . . . . 4913 1 205 . 1 1 27 27 PRO HB3 H 1 1.935 0.02 . 1 . . . . . . . . 4913 1 206 . 1 1 27 27 PRO C C 13 177.792 0.15 . 1 . . . . . . . . 4913 1 207 . 1 1 27 27 PRO CA C 13 64.113 0.15 . 1 . . . . . . . . 4913 1 208 . 1 1 27 27 PRO CB C 13 31.802 0.15 . 1 . . . . . . . . 4913 1 209 . 1 1 28 28 GLU H H 1 8.519 0.02 . 1 . . . . . . . . 4913 1 210 . 1 1 28 28 GLU HA H 1 4.196 0.02 . 1 . . . . . . . . 4913 1 211 . 1 1 28 28 GLU HB2 H 1 2.103 0.02 . 1 . . . . . . . . 4913 1 212 . 1 1 28 28 GLU HB3 H 1 2.013 0.02 . 1 . . . . . . . . 4913 1 213 . 1 1 28 28 GLU C C 13 177.524 0.15 . 1 . . . . . . . . 4913 1 214 . 1 1 28 28 GLU CA C 13 57.658 0.15 . 1 . . . . . . . . 4913 1 215 . 1 1 28 28 GLU CB C 13 29.107 0.15 . 1 . . . . . . . . 4913 1 216 . 1 1 28 28 GLU N N 15 119.670 0.15 . 1 . . . . . . . . 4913 1 217 . 1 1 29 29 LYS H H 1 8.135 0.02 . 1 . . . . . . . . 4913 1 218 . 1 1 29 29 LYS HA H 1 4.209 0.02 . 1 . . . . . . . . 4913 1 219 . 1 1 29 29 LYS HB2 H 1 1.848 0.02 . 1 . . . . . . . . 4913 1 220 . 1 1 29 29 LYS C C 13 177.749 0.15 . 1 . . . . . . . . 4913 1 221 . 1 1 29 29 LYS CA C 13 57.226 0.15 . 1 . . . . . . . . 4913 1 222 . 1 1 29 29 LYS CB C 13 32.571 0.15 . 1 . . . . . . . . 4913 1 223 . 1 1 29 29 LYS N N 15 121.731 0.15 . 1 . . . . . . . . 4913 1 224 . 1 1 30 30 ALA H H 1 8.272 0.02 . 1 . . . . . . . . 4913 1 225 . 1 1 30 30 ALA HA H 1 4.210 0.02 . 1 . . . . . . . . 4913 1 226 . 1 1 30 30 ALA HB1 H 1 1.422 0.02 . 1 . . . . . . . . 4913 1 227 . 1 1 30 30 ALA HB2 H 1 1.422 0.02 . 1 . . . . . . . . 4913 1 228 . 1 1 30 30 ALA HB3 H 1 1.422 0.02 . 1 . . . . . . . . 4913 1 229 . 1 1 30 30 ALA C C 13 179.210 0.15 . 1 . . . . . . . . 4913 1 230 . 1 1 30 30 ALA CA C 13 53.820 0.15 . 1 . . . . . . . . 4913 1 231 . 1 1 30 30 ALA CB C 13 18.615 0.15 . 1 . . . . . . . . 4913 1 232 . 1 1 30 30 ALA N N 15 124.337 0.15 . 1 . . . . . . . . 4913 1 233 . 1 1 31 31 GLU H H 1 8.282 0.02 . 1 . . . . . . . . 4913 1 234 . 1 1 31 31 GLU HA H 1 4.155 0.02 . 1 . . . . . . . . 4913 1 235 . 1 1 31 31 GLU HB2 H 1 1.800 0.02 . 1 . . . . . . . . 4913 1 236 . 1 1 31 31 GLU HB3 H 1 1.717 0.02 . 1 . . . . . . . . 4913 1 237 . 1 1 31 31 GLU C C 13 177.832 0.15 . 1 . . . . . . . . 4913 1 238 . 1 1 31 31 GLU CA C 13 57.686 0.15 . 1 . . . . . . . . 4913 1 239 . 1 1 31 31 GLU CB C 13 29.221 0.15 . 1 . . . . . . . . 4913 1 240 . 1 1 31 31 GLU N N 15 119.096 0.15 . 1 . . . . . . . . 4913 1 241 . 1 1 32 32 GLU H H 1 8.163 0.02 . 1 . . . . . . . . 4913 1 242 . 1 1 32 32 GLU HA H 1 4.167 0.02 . 1 . . . . . . . . 4913 1 243 . 1 1 32 32 GLU HB2 H 1 2.059 0.02 . 1 . . . . . . . . 4913 1 244 . 1 1 32 32 GLU HB3 H 1 2.059 0.02 . 1 . . . . . . . . 4913 1 245 . 1 1 32 32 GLU C C 13 177.617 0.15 . 1 . . . . . . . . 4913 1 246 . 1 1 32 32 GLU CA C 13 57.985 0.15 . 1 . . . . . . . . 4913 1 247 . 1 1 32 32 GLU CB C 13 29.342 0.15 . 1 . . . . . . . . 4913 1 248 . 1 1 32 32 GLU N N 15 120.683 0.15 . 1 . . . . . . . . 4913 1 249 . 1 1 33 33 ALA H H 1 8.072 0.02 . 1 . . . . . . . . 4913 1 250 . 1 1 33 33 ALA HA H 1 4.153 0.02 . 1 . . . . . . . . 4913 1 251 . 1 1 33 33 ALA HB1 H 1 1.436 0.02 . 1 . . . . . . . . 4913 1 252 . 1 1 33 33 ALA HB2 H 1 1.436 0.02 . 1 . . . . . . . . 4913 1 253 . 1 1 33 33 ALA HB3 H 1 1.436 0.02 . 1 . . . . . . . . 4913 1 254 . 1 1 33 33 ALA C C 13 179.321 0.15 . 1 . . . . . . . . 4913 1 255 . 1 1 33 33 ALA CA C 13 53.953 0.15 . 1 . . . . . . . . 4913 1 256 . 1 1 33 33 ALA CB C 13 18.355 0.15 . 1 . . . . . . . . 4913 1 257 . 1 1 33 33 ALA N N 15 122.455 0.15 . 1 . . . . . . . . 4913 1 258 . 1 1 34 34 LYS H H 1 7.881 0.02 . 1 . . . . . . . . 4913 1 259 . 1 1 34 34 LYS HA H 1 4.137 0.02 . 1 . . . . . . . . 4913 1 260 . 1 1 34 34 LYS HB2 H 1 1.854 0.02 . 1 . . . . . . . . 4913 1 261 . 1 1 34 34 LYS HB3 H 1 1.854 0.02 . 1 . . . . . . . . 4913 1 262 . 1 1 34 34 LYS C C 13 177.884 0.15 . 1 . . . . . . . . 4913 1 263 . 1 1 34 34 LYS CA C 13 57.768 0.15 . 1 . . . . . . . . 4913 1 264 . 1 1 34 34 LYS CB C 13 32.496 0.15 . 1 . . . . . . . . 4913 1 265 . 1 1 34 34 LYS N N 15 118.733 0.15 . 1 . . . . . . . . 4913 1 266 . 1 1 35 35 LEU H H 1 7.899 0.02 . 1 . . . . . . . . 4913 1 267 . 1 1 35 35 LEU HA H 1 4.206 0.02 . 1 . . . . . . . . 4913 1 268 . 1 1 35 35 LEU HB2 H 1 1.750 0.02 . 1 . . . . . . . . 4913 1 269 . 1 1 35 35 LEU HB3 H 1 1.607 0.02 . 1 . . . . . . . . 4913 1 270 . 1 1 35 35 LEU C C 13 178.245 0.15 . 1 . . . . . . . . 4913 1 271 . 1 1 35 35 LEU CA C 13 56.284 0.15 . 1 . . . . . . . . 4913 1 272 . 1 1 35 35 LEU CB C 13 41.976 0.15 . 1 . . . . . . . . 4913 1 273 . 1 1 35 35 LEU N N 15 120.734 0.15 . 1 . . . . . . . . 4913 1 274 . 1 1 36 36 LYS H H 1 7.999 0.02 . 1 . . . . . . . . 4913 1 275 . 1 1 36 36 LYS HA H 1 4.135 0.02 . 1 . . . . . . . . 4913 1 276 . 1 1 36 36 LYS HB2 H 1 1.800 0.02 . 1 . . . . . . . . 4913 1 277 . 1 1 36 36 LYS HB3 H 1 1.800 0.02 . 1 . . . . . . . . 4913 1 278 . 1 1 36 36 LYS C C 13 176.916 0.15 . 1 . . . . . . . . 4913 1 279 . 1 1 36 36 LYS CA C 13 57.270 0.15 . 1 . . . . . . . . 4913 1 280 . 1 1 36 36 LYS CB C 13 32.567 0.15 . 1 . . . . . . . . 4913 1 281 . 1 1 36 36 LYS N N 15 119.944 0.15 . 1 . . . . . . . . 4913 1 282 . 1 1 37 37 ALA H H 1 7.828 0.02 . 1 . . . . . . . . 4913 1 283 . 1 1 37 37 ALA HA H 1 4.193 0.02 . 1 . . . . . . . . 4913 1 284 . 1 1 37 37 ALA HB1 H 1 1.348 0.02 . 1 . . . . . . . . 4913 1 285 . 1 1 37 37 ALA HB2 H 1 1.348 0.02 . 1 . . . . . . . . 4913 1 286 . 1 1 37 37 ALA HB3 H 1 1.348 0.02 . 1 . . . . . . . . 4913 1 287 . 1 1 37 37 ALA C C 13 177.661 0.15 . 1 . . . . . . . . 4913 1 288 . 1 1 37 37 ALA CA C 13 52.738 0.15 . 1 . . . . . . . . 4913 1 289 . 1 1 37 37 ALA CB C 13 18.858 0.15 . 1 . . . . . . . . 4913 1 290 . 1 1 37 37 ALA N N 15 122.420 0.15 . 1 . . . . . . . . 4913 1 291 . 1 1 38 38 ARG H H 1 7.896 0.02 . 1 . . . . . . . . 4913 1 292 . 1 1 38 38 ARG HA H 1 4.138 0.02 . 1 . . . . . . . . 4913 1 293 . 1 1 38 38 ARG HB2 H 1 1.626 0.02 . 1 . . . . . . . . 4913 1 294 . 1 1 38 38 ARG HB3 H 1 1.626 0.02 . 1 . . . . . . . . 4913 1 295 . 1 1 38 38 ARG C C 13 175.712 0.15 . 1 . . . . . . . . 4913 1 296 . 1 1 38 38 ARG CA C 13 56.344 0.15 . 1 . . . . . . . . 4913 1 297 . 1 1 38 38 ARG CB C 13 30.904 0.15 . 1 . . . . . . . . 4913 1 298 . 1 1 38 38 ARG N N 15 118.809 0.15 . 1 . . . . . . . . 4913 1 299 . 1 1 39 39 TYR H H 1 7.973 0.02 . 1 . . . . . . . . 4913 1 300 . 1 1 39 39 TYR HA H 1 4.857 0.02 . 1 . . . . . . . . 4913 1 301 . 1 1 39 39 TYR HB2 H 1 3.030 0.02 . 1 . . . . . . . . 4913 1 302 . 1 1 39 39 TYR HB3 H 1 2.831 0.02 . 1 . . . . . . . . 4913 1 303 . 1 1 39 39 TYR C C 13 173.740 0.15 . 1 . . . . . . . . 4913 1 304 . 1 1 39 39 TYR CA C 13 55.332 0.15 . 1 . . . . . . . . 4913 1 305 . 1 1 39 39 TYR CB C 13 38.190 0.15 . 1 . . . . . . . . 4913 1 306 . 1 1 39 39 TYR N N 15 120.163 0.15 . 1 . . . . . . . . 4913 1 307 . 1 1 40 40 PRO HA H 1 4.554 0.02 . 1 . . . . . . . . 4913 1 308 . 1 1 40 40 PRO HB2 H 1 2.601 0.02 . 1 . . . . . . . . 4913 1 309 . 1 1 40 40 PRO HB3 H 1 2.601 0.02 . 1 . . . . . . . . 4913 1 310 . 1 1 40 40 PRO C C 13 176.818 0.15 . 1 . . . . . . . . 4913 1 311 . 1 1 40 40 PRO CA C 13 63.309 0.15 . 1 . . . . . . . . 4913 1 312 . 1 1 40 40 PRO CB C 13 31.982 0.15 . 1 . . . . . . . . 4913 1 313 . 1 1 41 41 HIS H H 1 8.583 0.02 . 1 . . . . . . . . 4913 1 314 . 1 1 41 41 HIS HA H 1 4.709 0.02 . 1 . . . . . . . . 4913 1 315 . 1 1 41 41 HIS HB2 H 1 3.265 0.02 . 1 . . . . . . . . 4913 1 316 . 1 1 41 41 HIS HB3 H 1 3.172 0.02 . 1 . . . . . . . . 4913 1 317 . 1 1 41 41 HIS C C 13 174.495 0.15 . 1 . . . . . . . . 4913 1 318 . 1 1 41 41 HIS CA C 13 55.034 0.15 . 1 . . . . . . . . 4913 1 319 . 1 1 41 41 HIS CB C 13 28.650 0.15 . 1 . . . . . . . . 4913 1 320 . 1 1 41 41 HIS N N 15 118.150 0.15 . 1 . . . . . . . . 4913 1 321 . 1 1 42 42 LEU H H 1 8.288 0.02 . 1 . . . . . . . . 4913 1 322 . 1 1 42 42 LEU HA H 1 4.326 0.02 . 1 . . . . . . . . 4913 1 323 . 1 1 42 42 LEU HB2 H 1 1.655 0.02 . 1 . . . . . . . . 4913 1 324 . 1 1 42 42 LEU HB3 H 1 1.594 0.02 . 1 . . . . . . . . 4913 1 325 . 1 1 42 42 LEU C C 13 177.759 0.15 . 1 . . . . . . . . 4913 1 326 . 1 1 42 42 LEU CA C 13 55.438 0.15 . 1 . . . . . . . . 4913 1 327 . 1 1 42 42 LEU CB C 13 42.227 0.15 . 1 . . . . . . . . 4913 1 328 . 1 1 42 42 LEU N N 15 123.686 0.15 . 1 . . . . . . . . 4913 1 329 . 1 1 43 43 GLY H H 1 8.549 0.02 . 1 . . . . . . . . 4913 1 330 . 1 1 43 43 GLY HA2 H 1 3.924 0.02 . 1 . . . . . . . . 4913 1 331 . 1 1 43 43 GLY HA3 H 1 3.924 0.02 . 1 . . . . . . . . 4913 1 332 . 1 1 43 43 GLY C C 13 173.930 0.15 . 1 . . . . . . . . 4913 1 333 . 1 1 43 43 GLY CA C 13 45.231 0.15 . 1 . . . . . . . . 4913 1 334 . 1 1 43 43 GLY N N 15 110.093 0.15 . 1 . . . . . . . . 4913 1 335 . 1 1 44 44 GLN H H 1 8.153 0.02 . 1 . . . . . . . . 4913 1 336 . 1 1 44 44 GLN HA H 1 4.329 0.02 . 1 . . . . . . . . 4913 1 337 . 1 1 44 44 GLN HB2 H 1 2.061 0.02 . 1 . . . . . . . . 4913 1 338 . 1 1 44 44 GLN HB3 H 1 1.943 0.02 . 1 . . . . . . . . 4913 1 339 . 1 1 44 44 GLN C C 13 175.805 0.15 . 1 . . . . . . . . 4913 1 340 . 1 1 44 44 GLN CA C 13 55.523 0.15 . 1 . . . . . . . . 4913 1 341 . 1 1 44 44 GLN CB C 13 29.769 0.15 . 1 . . . . . . . . 4913 1 342 . 1 1 44 44 GLN N N 15 119.655 0.15 . 1 . . . . . . . . 4913 1 343 . 1 1 45 45 LYS H H 1 8.463 0.02 . 1 . . . . . . . . 4913 1 344 . 1 1 45 45 LYS HA H 1 4.542 0.02 . 1 . . . . . . . . 4913 1 345 . 1 1 45 45 LYS C C 13 174.561 0.15 . 1 . . . . . . . . 4913 1 346 . 1 1 45 45 LYS CA C 13 54.273 0.15 . 1 . . . . . . . . 4913 1 347 . 1 1 45 45 LYS CB C 13 32.318 0.15 . 1 . . . . . . . . 4913 1 348 . 1 1 45 45 LYS N N 15 124.303 0.15 . 1 . . . . . . . . 4913 1 349 . 1 1 46 46 PRO HA H 1 4.367 0.02 . 1 . . . . . . . . 4913 1 350 . 1 1 46 46 PRO HB2 H 1 2.253 0.02 . 1 . . . . . . . . 4913 1 351 . 1 1 46 46 PRO HB3 H 1 1.888 0.02 . 1 . . . . . . . . 4913 1 352 . 1 1 46 46 PRO C C 13 177.453 0.15 . 1 . . . . . . . . 4913 1 353 . 1 1 46 46 PRO CA C 13 63.350 0.15 . 1 . . . . . . . . 4913 1 354 . 1 1 46 46 PRO CB C 13 32.036 0.15 . 1 . . . . . . . . 4913 1 355 . 1 1 47 47 GLY H H 1 8.503 0.02 . 1 . . . . . . . . 4913 1 356 . 1 1 47 47 GLY HA2 H 1 3.956 0.02 . 1 . . . . . . . . 4913 1 357 . 1 1 47 47 GLY HA3 H 1 3.956 0.02 . 1 . . . . . . . . 4913 1 358 . 1 1 47 47 GLY C C 13 174.804 0.15 . 1 . . . . . . . . 4913 1 359 . 1 1 47 47 GLY CA C 13 45.202 0.15 . 1 . . . . . . . . 4913 1 360 . 1 1 47 47 GLY N N 15 109.801 0.15 . 1 . . . . . . . . 4913 1 361 . 1 1 48 48 GLY H H 1 8.323 0.15 . 1 . . . . . . . . 4913 1 362 . 1 1 48 48 GLY HA2 H 1 4.010 0.15 . 1 . . . . . . . . 4913 1 363 . 1 1 48 48 GLY HA3 H 1 4.010 0.15 . 1 . . . . . . . . 4913 1 364 . 1 1 48 48 GLY C C 13 174.551 0.15 . 1 . . . . . . . . 4913 1 365 . 1 1 48 48 GLY CA C 13 45.319 0.15 . 1 . . . . . . . . 4913 1 366 . 1 1 48 48 GLY N N 15 108.680 0.15 . 1 . . . . . . . . 4913 1 367 . 1 1 49 49 SER H H 1 8.364 0.02 . 1 . . . . . . . . 4913 1 368 . 1 1 49 49 SER HA H 1 4.407 0.02 . 1 . . . . . . . . 4913 1 369 . 1 1 49 49 SER HB2 H 1 3.860 0.02 . 1 . . . . . . . . 4913 1 370 . 1 1 49 49 SER HB3 H 1 3.795 0.02 . 1 . . . . . . . . 4913 1 371 . 1 1 49 49 SER C C 13 174.818 0.15 . 1 . . . . . . . . 4913 1 372 . 1 1 49 49 SER CA C 13 58.699 0.15 . 1 . . . . . . . . 4913 1 373 . 1 1 49 49 SER CB C 13 63.682 0.15 . 1 . . . . . . . . 4913 1 374 . 1 1 49 49 SER N N 15 115.494 0.15 . 1 . . . . . . . . 4913 1 375 . 1 1 50 50 ASP H H 1 8.471 0.02 . 1 . . . . . . . . 4913 1 376 . 1 1 50 50 ASP HA H 1 4.520 0.02 . 1 . . . . . . . . 4913 1 377 . 1 1 50 50 ASP HB2 H 1 2.604 0.02 . 1 . . . . . . . . 4913 1 378 . 1 1 50 50 ASP HB3 H 1 2.604 0.02 . 1 . . . . . . . . 4913 1 379 . 1 1 50 50 ASP C C 13 176.555 0.15 . 1 . . . . . . . . 4913 1 380 . 1 1 50 50 ASP CA C 13 54.983 0.15 . 1 . . . . . . . . 4913 1 381 . 1 1 50 50 ASP CB C 13 40.644 0.15 . 1 . . . . . . . . 4913 1 382 . 1 1 50 50 ASP N N 15 122.385 0.15 . 1 . . . . . . . . 4913 1 383 . 1 1 51 51 PHE H H 1 8.035 0.02 . 1 . . . . . . . . 4913 1 384 . 1 1 51 51 PHE HA H 1 4.417 0.02 . 1 . . . . . . . . 4913 1 385 . 1 1 51 51 PHE HB2 H 1 3.084 0.02 . 1 . . . . . . . . 4913 1 386 . 1 1 51 51 PHE HB3 H 1 3.084 0.02 . 1 . . . . . . . . 4913 1 387 . 1 1 51 51 PHE C C 13 176.307 0.15 . 1 . . . . . . . . 4913 1 388 . 1 1 51 51 PHE CA C 13 58.863 0.15 . 1 . . . . . . . . 4913 1 389 . 1 1 51 51 PHE CB C 13 39.055 0.15 . 1 . . . . . . . . 4913 1 390 . 1 1 51 51 PHE N N 15 119.769 0.15 . 1 . . . . . . . . 4913 1 391 . 1 1 52 52 LEU H H 1 7.940 0.02 . 1 . . . . . . . . 4913 1 392 . 1 1 52 52 LEU HA H 1 4.135 0.02 . 1 . . . . . . . . 4913 1 393 . 1 1 52 52 LEU HB2 H 1 1.629 0.02 . 1 . . . . . . . . 4913 1 394 . 1 1 52 52 LEU C C 13 177.707 0.15 . 1 . . . . . . . . 4913 1 395 . 1 1 52 52 LEU CA C 13 55.900 0.15 . 1 . . . . . . . . 4913 1 396 . 1 1 52 52 LEU CB C 13 41.954 0.15 . 1 . . . . . . . . 4913 1 397 . 1 1 52 52 LEU N N 15 121.385 0.15 . 1 . . . . . . . . 4913 1 398 . 1 1 53 53 ARG H H 1 7.997 0.02 . 1 . . . . . . . . 4913 1 399 . 1 1 53 53 ARG HA H 1 4.160 0.02 . 1 . . . . . . . . 4913 1 400 . 1 1 53 53 ARG HB2 H 1 1.802 0.02 . 1 . . . . . . . . 4913 1 401 . 1 1 53 53 ARG HB3 H 1 1.605 0.02 . 1 . . . . . . . . 4913 1 402 . 1 1 53 53 ARG C C 13 176.872 0.15 . 1 . . . . . . . . 4913 1 403 . 1 1 53 53 ARG CA C 13 56.993 0.15 . 1 . . . . . . . . 4913 1 404 . 1 1 53 53 ARG CB C 13 30.330 0.15 . 1 . . . . . . . . 4913 1 405 . 1 1 53 53 ARG N N 15 120.281 0.15 . 1 . . . . . . . . 4913 1 406 . 1 1 54 54 LYS H H 1 8.071 0.02 . 1 . . . . . . . . 4913 1 407 . 1 1 54 54 LYS HA H 1 4.192 0.02 . 1 . . . . . . . . 4913 1 408 . 1 1 54 54 LYS HB2 H 1 1.756 0.02 . 1 . . . . . . . . 4913 1 409 . 1 1 54 54 LYS HB3 H 1 1.756 0.02 . 1 . . . . . . . . 4913 1 410 . 1 1 54 54 LYS C C 13 176.889 0.15 . 1 . . . . . . . . 4913 1 411 . 1 1 54 54 LYS CA C 13 56.907 0.15 . 1 . . . . . . . . 4913 1 412 . 1 1 54 54 LYS CB C 13 32.817 0.15 . 1 . . . . . . . . 4913 1 413 . 1 1 54 54 LYS N N 15 120.886 0.15 . 1 . . . . . . . . 4913 1 414 . 1 1 55 55 ARG H H 1 8.137 0.02 . 1 . . . . . . . . 4913 1 415 . 1 1 55 55 ARG HA H 1 4.271 0.02 . 1 . . . . . . . . 4913 1 416 . 1 1 55 55 ARG HB2 H 1 2.009 0.02 . 1 . . . . . . . . 4913 1 417 . 1 1 55 55 ARG HB3 H 1 1.878 0.02 . 1 . . . . . . . . 4913 1 418 . 1 1 55 55 ARG C C 13 176.461 0.15 . 1 . . . . . . . . 4913 1 419 . 1 1 55 55 ARG CA C 13 56.460 0.15 . 1 . . . . . . . . 4913 1 420 . 1 1 55 55 ARG CB C 13 30.536 0.15 . 1 . . . . . . . . 4913 1 421 . 1 1 55 55 ARG N N 15 121.200 0.15 . 1 . . . . . . . . 4913 1 422 . 1 1 56 56 LEU H H 1 8.158 0.02 . 1 . . . . . . . . 4913 1 423 . 1 1 56 56 LEU HA H 1 4.282 0.02 . 1 . . . . . . . . 4913 1 424 . 1 1 56 56 LEU HB2 H 1 1.633 0.02 . 1 . . . . . . . . 4913 1 425 . 1 1 56 56 LEU HB3 H 1 1.534 0.02 . 1 . . . . . . . . 4913 1 426 . 1 1 56 56 LEU C C 13 177.426 0.15 . 1 . . . . . . . . 4913 1 427 . 1 1 56 56 LEU CA C 13 55.240 0.15 . 1 . . . . . . . . 4913 1 428 . 1 1 56 56 LEU CB C 13 42.219 0.15 . 1 . . . . . . . . 4913 1 429 . 1 1 56 56 LEU N N 15 122.582 0.15 . 1 . . . . . . . . 4913 1 430 . 1 1 57 57 GLN H H 1 8.257 0.02 . 1 . . . . . . . . 4913 1 431 . 1 1 57 57 GLN HA H 1 4.284 0.02 . 1 . . . . . . . . 4913 1 432 . 1 1 57 57 GLN HB2 H 1 2.064 0.02 . 1 . . . . . . . . 4913 1 433 . 1 1 57 57 GLN HB3 H 1 1.942 0.02 . 1 . . . . . . . . 4913 1 434 . 1 1 57 57 GLN C C 13 175.972 0.15 . 1 . . . . . . . . 4913 1 435 . 1 1 57 57 GLN CA C 13 55.693 0.15 . 1 . . . . . . . . 4913 1 436 . 1 1 57 57 GLN CB C 13 29.487 0.15 . 1 . . . . . . . . 4913 1 437 . 1 1 57 57 GLN N N 15 120.923 0.15 . 1 . . . . . . . . 4913 1 438 . 1 1 58 58 LYS H H 1 8.348 0.02 . 1 . . . . . . . . 4913 1 439 . 1 1 58 58 LYS HA H 1 4.212 0.02 . 1 . . . . . . . . 4913 1 440 . 1 1 58 58 LYS HB2 H 1 1.779 0.02 . 1 . . . . . . . . 4913 1 441 . 1 1 58 58 LYS HB3 H 1 1.779 0.02 . 1 . . . . . . . . 4913 1 442 . 1 1 58 58 LYS C C 13 177.180 0.15 . 1 . . . . . . . . 4913 1 443 . 1 1 58 58 LYS CA C 13 56.844 0.15 . 1 . . . . . . . . 4913 1 444 . 1 1 58 58 LYS CB C 13 32.776 0.15 . 1 . . . . . . . . 4913 1 445 . 1 1 58 58 LYS N N 15 122.469 0.15 . 1 . . . . . . . . 4913 1 446 . 1 1 59 59 GLY H H 1 8.495 0.02 . 1 . . . . . . . . 4913 1 447 . 1 1 59 59 GLY HA2 H 1 3.992 0.02 . 1 . . . . . . . . 4913 1 448 . 1 1 59 59 GLY HA3 H 1 3.992 0.02 . 1 . . . . . . . . 4913 1 449 . 1 1 59 59 GLY C C 13 174.088 0.15 . 1 . . . . . . . . 4913 1 450 . 1 1 59 59 GLY CA C 13 45.299 0.15 . 1 . . . . . . . . 4913 1 451 . 1 1 59 59 GLY N N 15 110.424 0.15 . 1 . . . . . . . . 4913 1 452 . 1 1 60 60 GLN H H 1 8.126 0.02 . 1 . . . . . . . . 4913 1 453 . 1 1 60 60 GLN HA H 1 4.253 0.02 . 1 . . . . . . . . 4913 1 454 . 1 1 60 60 GLN HB2 H 1 1.979 0.02 . 1 . . . . . . . . 4913 1 455 . 1 1 60 60 GLN HB3 H 1 1.979 0.02 . 1 . . . . . . . . 4913 1 456 . 1 1 60 60 GLN C C 13 175.772 0.15 . 1 . . . . . . . . 4913 1 457 . 1 1 60 60 GLN CA C 13 55.800 0.15 . 1 . . . . . . . . 4913 1 458 . 1 1 60 60 GLN CB C 13 29.621 0.15 . 1 . . . . . . . . 4913 1 459 . 1 1 60 60 GLN N N 15 119.887 0.15 . 1 . . . . . . . . 4913 1 460 . 1 1 61 61 LYS H H 1 8.331 0.15 . 1 . . . . . . . . 4913 1 461 . 1 1 61 61 LYS HA H 1 4.207 0.02 . 1 . . . . . . . . 4913 1 462 . 1 1 61 61 LYS HB2 H 1 1.600 0.02 . 1 . . . . . . . . 4913 1 463 . 1 1 61 61 LYS HB3 H 1 1.600 0.02 . 1 . . . . . . . . 4913 1 464 . 1 1 61 61 LYS C C 13 175.975 0.15 . 1 . . . . . . . . 4913 1 465 . 1 1 61 61 LYS CA C 13 56.343 0.15 . 1 . . . . . . . . 4913 1 466 . 1 1 61 61 LYS CB C 13 33.069 0.15 . 1 . . . . . . . . 4913 1 467 . 1 1 61 61 LYS N N 15 122.139 0.15 . 1 . . . . . . . . 4913 1 468 . 1 1 62 62 TYR H H 1 8.095 0.02 . 1 . . . . . . . . 4913 1 469 . 1 1 62 62 TYR HA H 1 4.196 0.02 . 1 . . . . . . . . 4913 1 470 . 1 1 62 62 TYR HB2 H 1 2.923 0.02 . 1 . . . . . . . . 4913 1 471 . 1 1 62 62 TYR HB3 H 1 2.841 0.02 . 1 . . . . . . . . 4913 1 472 . 1 1 62 62 TYR C C 13 175.279 0.15 . 1 . . . . . . . . 4913 1 473 . 1 1 62 62 TYR CA C 13 57.772 0.15 . 1 . . . . . . . . 4913 1 474 . 1 1 62 62 TYR CB C 13 39.047 0.15 . 1 . . . . . . . . 4913 1 475 . 1 1 62 62 TYR N N 15 120.591 0.15 . 1 . . . . . . . . 4913 1 476 . 1 1 63 63 PHE H H 1 8.084 0.02 . 1 . . . . . . . . 4913 1 477 . 1 1 63 63 PHE HA H 1 4.504 0.02 . 1 . . . . . . . . 4913 1 478 . 1 1 63 63 PHE HB2 H 1 3.044 0.02 . 1 . . . . . . . . 4913 1 479 . 1 1 63 63 PHE HB3 H 1 2.931 0.02 . 1 . . . . . . . . 4913 1 480 . 1 1 63 63 PHE C C 13 174.865 0.15 . 1 . . . . . . . . 4913 1 481 . 1 1 63 63 PHE CA C 13 57.608 0.15 . 1 . . . . . . . . 4913 1 482 . 1 1 63 63 PHE CB C 13 39.853 0.15 . 1 . . . . . . . . 4913 1 483 . 1 1 63 63 PHE N N 15 121.719 0.15 . 1 . . . . . . . . 4913 1 484 . 1 1 64 64 ASP H H 1 8.263 0.02 . 1 . . . . . . . . 4913 1 485 . 1 1 64 64 ASP HA H 1 4.596 0.02 . 1 . . . . . . . . 4913 1 486 . 1 1 64 64 ASP HB2 H 1 2.707 0.02 . 1 . . . . . . . . 4913 1 487 . 1 1 64 64 ASP HB3 H 1 2.610 0.02 . 1 . . . . . . . . 4913 1 488 . 1 1 64 64 ASP C C 13 175.993 0.15 . 1 . . . . . . . . 4913 1 489 . 1 1 64 64 ASP CA C 13 53.725 0.15 . 1 . . . . . . . . 4913 1 490 . 1 1 64 64 ASP CB C 13 41.210 0.15 . 1 . . . . . . . . 4913 1 491 . 1 1 64 64 ASP N N 15 122.360 0.15 . 1 . . . . . . . . 4913 1 492 . 1 1 65 65 SER H H 1 8.271 0.02 . 1 . . . . . . . . 4913 1 493 . 1 1 65 65 SER HA H 1 4.329 0.02 . 1 . . . . . . . . 4913 1 494 . 1 1 65 65 SER HB2 H 1 3.953 0.02 . 1 . . . . . . . . 4913 1 495 . 1 1 65 65 SER HB3 H 1 3.852 0.02 . 1 . . . . . . . . 4913 1 496 . 1 1 65 65 SER C C 13 175.304 0.15 . 1 . . . . . . . . 4913 1 497 . 1 1 65 65 SER CA C 13 58.930 0.15 . 1 . . . . . . . . 4913 1 498 . 1 1 65 65 SER CB C 13 63.654 0.15 . 1 . . . . . . . . 4913 1 499 . 1 1 65 65 SER N N 15 117.046 0.15 . 1 . . . . . . . . 4913 1 500 . 1 1 66 66 GLY H H 1 8.475 0.02 . 1 . . . . . . . . 4913 1 501 . 1 1 66 66 GLY HA2 H 1 3.900 0.02 . 1 . . . . . . . . 4913 1 502 . 1 1 66 66 GLY HA3 H 1 3.900 0.02 . 1 . . . . . . . . 4913 1 503 . 1 1 66 66 GLY C C 13 174.116 0.15 . 1 . . . . . . . . 4913 1 504 . 1 1 66 66 GLY CA C 13 45.649 0.15 . 1 . . . . . . . . 4913 1 505 . 1 1 66 66 GLY N N 15 110.598 0.15 . 1 . . . . . . . . 4913 1 506 . 1 1 67 67 ASP H H 1 8.089 0.02 . 1 . . . . . . . . 4913 1 507 . 1 1 67 67 ASP HA H 1 4.552 0.02 . 1 . . . . . . . . 4913 1 508 . 1 1 67 67 ASP HB2 H 1 2.639 0.02 . 1 . . . . . . . . 4913 1 509 . 1 1 67 67 ASP HB3 H 1 2.558 0.02 . 1 . . . . . . . . 4913 1 510 . 1 1 67 67 ASP C C 13 176.401 0.15 . 1 . . . . . . . . 4913 1 511 . 1 1 67 67 ASP CA C 13 54.336 0.15 . 1 . . . . . . . . 4913 1 512 . 1 1 67 67 ASP CB C 13 40.685 0.15 . 1 . . . . . . . . 4913 1 513 . 1 1 67 67 ASP N N 15 120.169 0.15 . 1 . . . . . . . . 4913 1 514 . 1 1 68 68 TYR H H 1 8.098 0.02 . 1 . . . . . . . . 4913 1 515 . 1 1 68 68 TYR HA H 1 4.398 0.02 . 1 . . . . . . . . 4913 1 516 . 1 1 68 68 TYR HB2 H 1 2.993 0.02 . 1 . . . . . . . . 4913 1 517 . 1 1 68 68 TYR HB3 H 1 2.993 0.02 . 1 . . . . . . . . 4913 1 518 . 1 1 68 68 TYR C C 13 176.026 0.15 . 1 . . . . . . . . 4913 1 519 . 1 1 68 68 TYR CA C 13 58.714 0.15 . 1 . . . . . . . . 4913 1 520 . 1 1 68 68 TYR CB C 13 38.395 0.15 . 1 . . . . . . . . 4913 1 521 . 1 1 68 68 TYR N N 15 121.066 0.15 . 1 . . . . . . . . 4913 1 522 . 1 1 69 69 ASN H H 1 8.241 0.02 . 1 . . . . . . . . 4913 1 523 . 1 1 69 69 ASN HA H 1 4.541 0.02 . 1 . . . . . . . . 4913 1 524 . 1 1 69 69 ASN HB2 H 1 2.746 0.02 . 1 . . . . . . . . 4913 1 525 . 1 1 69 69 ASN HB3 H 1 2.746 0.02 . 1 . . . . . . . . 4913 1 526 . 1 1 69 69 ASN C C 13 175.917 0.15 . 1 . . . . . . . . 4913 1 527 . 1 1 69 69 ASN CA C 13 53.800 0.15 . 1 . . . . . . . . 4913 1 528 . 1 1 69 69 ASN CB C 13 38.470 0.15 . 1 . . . . . . . . 4913 1 529 . 1 1 69 69 ASN N N 15 119.524 0.15 . 1 . . . . . . . . 4913 1 530 . 1 1 70 70 MET H H 1 8.182 0.02 . 1 . . . . . . . . 4913 1 531 . 1 1 70 70 MET HA H 1 4.312 0.02 . 1 . . . . . . . . 4913 1 532 . 1 1 70 70 MET HB2 H 1 2.061 0.02 . 1 . . . . . . . . 4913 1 533 . 1 1 70 70 MET HB3 H 1 2.061 0.02 . 1 . . . . . . . . 4913 1 534 . 1 1 70 70 MET C C 13 176.640 0.15 . 1 . . . . . . . . 4913 1 535 . 1 1 70 70 MET CA C 13 56.403 0.15 . 1 . . . . . . . . 4913 1 536 . 1 1 70 70 MET CB C 13 32.316 0.15 . 1 . . . . . . . . 4913 1 537 . 1 1 70 70 MET N N 15 120.731 0.15 . 1 . . . . . . . . 4913 1 538 . 1 1 71 71 ALA H H 1 8.123 0.02 . 1 . . . . . . . . 4913 1 539 . 1 1 71 71 ALA HA H 1 4.193 0.02 . 1 . . . . . . . . 4913 1 540 . 1 1 71 71 ALA HB1 H 1 1.384 0.02 . 1 . . . . . . . . 4913 1 541 . 1 1 71 71 ALA HB2 H 1 1.384 0.02 . 1 . . . . . . . . 4913 1 542 . 1 1 71 71 ALA HB3 H 1 1.384 0.02 . 1 . . . . . . . . 4913 1 543 . 1 1 71 71 ALA C C 13 178.663 0.15 . 1 . . . . . . . . 4913 1 544 . 1 1 71 71 ALA CA C 13 53.425 0.15 . 1 . . . . . . . . 4913 1 545 . 1 1 71 71 ALA CB C 13 18.616 0.15 . 1 . . . . . . . . 4913 1 546 . 1 1 71 71 ALA N N 15 123.638 0.15 . 1 . . . . . . . . 4913 1 547 . 1 1 72 72 LYS H H 1 8.050 0.02 . 1 . . . . . . . . 4913 1 548 . 1 1 72 72 LYS HA H 1 4.155 0.02 . 1 . . . . . . . . 4913 1 549 . 1 1 72 72 LYS HB2 H 1 1.800 0.02 . 1 . . . . . . . . 4913 1 550 . 1 1 72 72 LYS HB3 H 1 1.717 0.02 . 1 . . . . . . . . 4913 1 551 . 1 1 72 72 LYS C C 13 177.179 0.15 . 1 . . . . . . . . 4913 1 552 . 1 1 72 72 LYS CA C 13 56.958 0.15 . 1 . . . . . . . . 4913 1 553 . 1 1 72 72 LYS CB C 13 32.592 0.15 . 1 . . . . . . . . 4913 1 554 . 1 1 72 72 LYS N N 15 119.230 0.15 . 1 . . . . . . . . 4913 1 555 . 1 1 73 73 ALA H H 1 8.023 0.02 . 1 . . . . . . . . 4913 1 556 . 1 1 73 73 ALA HA H 1 4.208 0.02 . 1 . . . . . . . . 4913 1 557 . 1 1 73 73 ALA HB1 H 1 1.399 0.02 . 1 . . . . . . . . 4913 1 558 . 1 1 73 73 ALA HB2 H 1 1.399 0.02 . 1 . . . . . . . . 4913 1 559 . 1 1 73 73 ALA HB3 H 1 1.399 0.02 . 1 . . . . . . . . 4913 1 560 . 1 1 73 73 ALA C C 13 178.214 0.15 . 1 . . . . . . . . 4913 1 561 . 1 1 73 73 ALA CA C 13 53.065 0.15 . 1 . . . . . . . . 4913 1 562 . 1 1 73 73 ALA CB C 13 18.944 0.15 . 1 . . . . . . . . 4913 1 563 . 1 1 73 73 ALA N N 15 123.496 0.15 . 1 . . . . . . . . 4913 1 564 . 1 1 74 74 LYS H H 1 8.082 0.02 . 1 . . . . . . . . 4913 1 565 . 1 1 74 74 LYS HA H 1 3.901 0.02 . 1 . . . . . . . . 4913 1 566 . 1 1 74 74 LYS HB2 H 1 1.842 0.02 . 1 . . . . . . . . 4913 1 567 . 1 1 74 74 LYS HB3 H 1 1.771 0.02 . 1 . . . . . . . . 4913 1 568 . 1 1 74 74 LYS C C 13 176.958 0.15 . 1 . . . . . . . . 4913 1 569 . 1 1 74 74 LYS CA C 13 56.655 0.15 . 1 . . . . . . . . 4913 1 570 . 1 1 74 74 LYS CB C 13 32.755 0.15 . 1 . . . . . . . . 4913 1 571 . 1 1 74 74 LYS N N 15 119.183 0.15 . 1 . . . . . . . . 4913 1 572 . 1 1 75 75 MET H H 1 8.092 0.02 . 1 . . . . . . . . 4913 1 573 . 1 1 75 75 MET HA H 1 4.406 0.02 . 1 . . . . . . . . 4913 1 574 . 1 1 75 75 MET HB2 H 1 2.060 0.02 . 1 . . . . . . . . 4913 1 575 . 1 1 75 75 MET HB3 H 1 2.060 0.02 . 1 . . . . . . . . 4913 1 576 . 1 1 75 75 MET C C 13 176.346 0.15 . 1 . . . . . . . . 4913 1 577 . 1 1 75 75 MET CA C 13 55.684 0.15 . 1 . . . . . . . . 4913 1 578 . 1 1 75 75 MET CB C 13 32.730 0.15 . 1 . . . . . . . . 4913 1 579 . 1 1 75 75 MET N N 15 120.401 0.15 . 1 . . . . . . . . 4913 1 580 . 1 1 76 76 LYS H H 1 8.246 0.02 . 1 . . . . . . . . 4913 1 581 . 1 1 76 76 LYS HA H 1 4.377 0.02 . 1 . . . . . . . . 4913 1 582 . 1 1 76 76 LYS HB2 H 1 2.326 0.02 . 1 . . . . . . . . 4913 1 583 . 1 1 76 76 LYS HB3 H 1 1.903 0.02 . 1 . . . . . . . . 4913 1 584 . 1 1 76 76 LYS C C 13 176.368 0.15 . 1 . . . . . . . . 4913 1 585 . 1 1 76 76 LYS CA C 13 56.582 0.15 . 1 . . . . . . . . 4913 1 586 . 1 1 76 76 LYS CB C 13 32.811 0.15 . 1 . . . . . . . . 4913 1 587 . 1 1 76 76 LYS N N 15 122.153 0.15 . 1 . . . . . . . . 4913 1 588 . 1 1 77 77 ASN H H 1 8.370 0.02 . 1 . . . . . . . . 4913 1 589 . 1 1 77 77 ASN HA H 1 4.641 0.02 . 1 . . . . . . . . 4913 1 590 . 1 1 77 77 ASN HB2 H 1 2.052 0.02 . 1 . . . . . . . . 4913 1 591 . 1 1 77 77 ASN HB3 H 1 1.938 0.02 . 1 . . . . . . . . 4913 1 592 . 1 1 77 77 ASN C C 13 175.145 0.15 . 1 . . . . . . . . 4913 1 593 . 1 1 77 77 ASN CA C 13 53.283 0.15 . 1 . . . . . . . . 4913 1 594 . 1 1 77 77 ASN CB C 13 38.776 0.15 . 1 . . . . . . . . 4913 1 595 . 1 1 77 77 ASN N N 15 119.418 0.15 . 1 . . . . . . . . 4913 1 596 . 1 1 78 78 LYS H H 1 8.265 0.02 . 1 . . . . . . . . 4913 1 597 . 1 1 78 78 LYS HA H 1 4.259 0.02 . 1 . . . . . . . . 4913 1 598 . 1 1 78 78 LYS HB2 H 1 1.829 0.02 . 1 . . . . . . . . 4913 1 599 . 1 1 78 78 LYS HB3 H 1 1.738 0.02 . 1 . . . . . . . . 4913 1 600 . 1 1 78 78 LYS C C 13 176.204 0.15 . 1 . . . . . . . . 4913 1 601 . 1 1 78 78 LYS CA C 13 56.303 0.15 . 1 . . . . . . . . 4913 1 602 . 1 1 78 78 LYS CB C 13 32.752 0.15 . 1 . . . . . . . . 4913 1 603 . 1 1 78 78 LYS N N 15 121.666 0.15 . 1 . . . . . . . . 4913 1 604 . 1 1 79 79 GLN H H 1 8.335 0.02 . 1 . . . . . . . . 4913 1 605 . 1 1 79 79 GLN HA H 1 4.308 0.02 . 1 . . . . . . . . 4913 1 606 . 1 1 79 79 GLN HB2 H 1 2.051 0.02 . 1 . . . . . . . . 4913 1 607 . 1 1 79 79 GLN HB3 H 1 1.955 0.02 . 1 . . . . . . . . 4913 1 608 . 1 1 79 79 GLN C C 13 175.587 0.15 . 1 . . . . . . . . 4913 1 609 . 1 1 79 79 GLN CA C 13 55.482 0.15 . 1 . . . . . . . . 4913 1 610 . 1 1 79 79 GLN CB C 13 29.508 0.15 . 1 . . . . . . . . 4913 1 611 . 1 1 79 79 GLN N N 15 121.371 0.15 . 1 . . . . . . . . 4913 1 612 . 1 1 80 80 LEU H H 1 8.303 0.02 . 1 . . . . . . . . 4913 1 613 . 1 1 80 80 LEU HA H 1 4.581 0.02 . 1 . . . . . . . . 4913 1 614 . 1 1 80 80 LEU HB2 H 1 1.574 0.02 . 1 . . . . . . . . 4913 1 615 . 1 1 80 80 LEU HB3 H 1 1.574 0.02 . 1 . . . . . . . . 4913 1 616 . 1 1 80 80 LEU C C 13 175.149 0.15 . 1 . . . . . . . . 4913 1 617 . 1 1 80 80 LEU CA C 13 53.001 0.15 . 1 . . . . . . . . 4913 1 618 . 1 1 80 80 LEU CB C 13 41.542 0.15 . 1 . . . . . . . . 4913 1 619 . 1 1 80 80 LEU N N 15 125.371 0.15 . 1 . . . . . . . . 4913 1 620 . 1 1 81 81 PRO HA H 1 4.379 0.02 . 1 . . . . . . . . 4913 1 621 . 1 1 81 81 PRO HB2 H 1 2.278 0.02 . 1 . . . . . . . . 4913 1 622 . 1 1 81 81 PRO HB3 H 1 1.887 0.02 . 1 . . . . . . . . 4913 1 623 . 1 1 81 81 PRO C C 13 176.493 0.15 . 1 . . . . . . . . 4913 1 624 . 1 1 81 81 PRO CA C 13 62.921 0.15 . 1 . . . . . . . . 4913 1 625 . 1 1 81 81 PRO CB C 13 31.855 0.15 . 1 . . . . . . . . 4913 1 626 . 1 1 82 82 ALA H H 1 8.324 0.02 . 1 . . . . . . . . 4913 1 627 . 1 1 82 82 ALA HA H 1 4.243 0.02 . 1 . . . . . . . . 4913 1 628 . 1 1 82 82 ALA HB1 H 1 1.359 0.02 . 1 . . . . . . . . 4913 1 629 . 1 1 82 82 ALA HB2 H 1 1.359 0.02 . 1 . . . . . . . . 4913 1 630 . 1 1 82 82 ALA HB3 H 1 1.359 0.02 . 1 . . . . . . . . 4913 1 631 . 1 1 82 82 ALA C C 13 177.338 0.15 . 1 . . . . . . . . 4913 1 632 . 1 1 82 82 ALA CA C 13 52.186 0.15 . 1 . . . . . . . . 4913 1 633 . 1 1 82 82 ALA CB C 13 19.070 0.15 . 1 . . . . . . . . 4913 1 634 . 1 1 82 82 ALA N N 15 124.294 0.15 . 1 . . . . . . . . 4913 1 635 . 1 1 83 83 ALA H H 1 8.231 0.02 . 1 . . . . . . . . 4913 1 636 . 1 1 83 83 ALA HA H 1 4.271 0.02 . 1 . . . . . . . . 4913 1 637 . 1 1 83 83 ALA HB1 H 1 1.342 0.02 . 1 . . . . . . . . 4913 1 638 . 1 1 83 83 ALA HB2 H 1 1.342 0.02 . 1 . . . . . . . . 4913 1 639 . 1 1 83 83 ALA HB3 H 1 1.342 0.02 . 1 . . . . . . . . 4913 1 640 . 1 1 83 83 ALA C C 13 176.992 0.15 . 1 . . . . . . . . 4913 1 641 . 1 1 83 83 ALA CA C 13 51.973 0.15 . 1 . . . . . . . . 4913 1 642 . 1 1 83 83 ALA CB C 13 19.358 0.15 . 1 . . . . . . . . 4913 1 643 . 1 1 83 83 ALA N N 15 123.544 0.15 . 1 . . . . . . . . 4913 1 644 . 1 1 84 84 ALA H H 1 8.286 0.02 . 1 . . . . . . . . 4913 1 645 . 1 1 84 84 ALA HA H 1 4.573 0.02 . 1 . . . . . . . . 4913 1 646 . 1 1 84 84 ALA HB1 H 1 1.341 0.02 . 1 . . . . . . . . 4913 1 647 . 1 1 84 84 ALA HB2 H 1 1.341 0.02 . 1 . . . . . . . . 4913 1 648 . 1 1 84 84 ALA HB3 H 1 1.341 0.02 . 1 . . . . . . . . 4913 1 649 . 1 1 84 84 ALA C C 13 176.877 0.15 . 1 . . . . . . . . 4913 1 650 . 1 1 84 84 ALA CA C 13 50.330 0.15 . 1 . . . . . . . . 4913 1 651 . 1 1 84 84 ALA CB C 13 18.219 0.15 . 1 . . . . . . . . 4913 1 652 . 1 1 84 84 ALA N N 15 124.858 0.15 . 1 . . . . . . . . 4913 1 653 . 1 1 85 85 PRO HA H 1 4.390 0.02 . 1 . . . . . . . . 4913 1 654 . 1 1 85 85 PRO HB2 H 1 2.269 0.02 . 1 . . . . . . . . 4913 1 655 . 1 1 85 85 PRO HB3 H 1 1.890 0.02 . 1 . . . . . . . . 4913 1 656 . 1 1 85 85 PRO C C 13 176.621 0.15 . 1 . . . . . . . . 4913 1 657 . 1 1 85 85 PRO CA C 13 63.131 0.15 . 1 . . . . . . . . 4913 1 658 . 1 1 85 85 PRO CB C 13 31.984 0.15 . 1 . . . . . . . . 4913 1 659 . 1 1 86 86 ASP H H 1 8.405 0.02 . 1 . . . . . . . . 4913 1 660 . 1 1 86 86 ASP HA H 1 4.551 0.02 . 1 . . . . . . . . 4913 1 661 . 1 1 86 86 ASP HB2 H 1 2.675 0.02 . 1 . . . . . . . . 4913 1 662 . 1 1 86 86 ASP HB3 H 1 2.675 0.02 . 1 . . . . . . . . 4913 1 663 . 1 1 86 86 ASP C C 13 176.266 0.15 . 1 . . . . . . . . 4913 1 664 . 1 1 86 86 ASP CA C 13 54.053 0.15 . 1 . . . . . . . . 4913 1 665 . 1 1 86 86 ASP CB C 13 40.804 0.15 . 1 . . . . . . . . 4913 1 666 . 1 1 86 86 ASP N N 15 120.029 0.15 . 1 . . . . . . . . 4913 1 667 . 1 1 87 87 LYS H H 1 8.291 0.02 . 1 . . . . . . . . 4913 1 668 . 1 1 87 87 LYS HA H 1 4.366 0.02 . 1 . . . . . . . . 4913 1 669 . 1 1 87 87 LYS HB2 H 1 1.874 0.02 . 1 . . . . . . . . 4913 1 670 . 1 1 87 87 LYS HB3 H 1 1.766 0.02 . 1 . . . . . . . . 4913 1 671 . 1 1 87 87 LYS C C 13 176.679 0.15 . 1 . . . . . . . . 4913 1 672 . 1 1 87 87 LYS CA C 13 56.287 0.15 . 1 . . . . . . . . 4913 1 673 . 1 1 87 87 LYS CB C 13 32.787 0.15 . 1 . . . . . . . . 4913 1 674 . 1 1 87 87 LYS N N 15 121.808 0.15 . 1 . . . . . . . . 4913 1 675 . 1 1 88 88 THR H H 1 8.228 0.02 . 1 . . . . . . . . 4913 1 676 . 1 1 88 88 THR HA H 1 4.268 0.02 . 1 . . . . . . . . 4913 1 677 . 1 1 88 88 THR HB H 1 4.168 0.02 . 1 . . . . . . . . 4913 1 678 . 1 1 88 88 THR C C 13 174.555 0.15 . 1 . . . . . . . . 4913 1 679 . 1 1 88 88 THR CA C 13 62.292 0.15 . 1 . . . . . . . . 4913 1 680 . 1 1 88 88 THR CB C 13 69.647 0.15 . 1 . . . . . . . . 4913 1 681 . 1 1 88 88 THR N N 15 115.435 0.15 . 1 . . . . . . . . 4913 1 682 . 1 1 89 89 GLU H H 1 8.379 0.02 . 1 . . . . . . . . 4913 1 683 . 1 1 89 89 GLU HA H 1 4.361 0.02 . 1 . . . . . . . . 4913 1 684 . 1 1 89 89 GLU HB2 H 1 2.823 0.02 . 1 . . . . . . . . 4913 1 685 . 1 1 89 89 GLU HB3 H 1 2.746 0.02 . 1 . . . . . . . . 4913 1 686 . 1 1 89 89 GLU C C 13 176.211 0.15 . 1 . . . . . . . . 4913 1 687 . 1 1 89 89 GLU CA C 13 56.167 0.15 . 1 . . . . . . . . 4913 1 688 . 1 1 89 89 GLU CB C 13 29.903 0.15 . 1 . . . . . . . . 4913 1 689 . 1 1 89 89 GLU N N 15 123.390 0.15 . 1 . . . . . . . . 4913 1 690 . 1 1 90 90 VAL H H 1 8.264 0.02 . 1 . . . . . . . . 4913 1 691 . 1 1 90 90 VAL HA H 1 4.183 0.02 . 1 . . . . . . . . 4913 1 692 . 1 1 90 90 VAL HB H 1 2.090 0.02 . 1 . . . . . . . . 4913 1 693 . 1 1 90 90 VAL C C 13 176.408 0.15 . 1 . . . . . . . . 4913 1 694 . 1 1 90 90 VAL CA C 13 62.287 0.15 . 1 . . . . . . . . 4913 1 695 . 1 1 90 90 VAL CB C 13 32.605 0.15 . 1 . . . . . . . . 4913 1 696 . 1 1 90 90 VAL N N 15 121.623 0.15 . 1 . . . . . . . . 4913 1 697 . 1 1 91 91 THR H H 1 8.227 0.02 . 1 . . . . . . . . 4913 1 698 . 1 1 91 91 THR HA H 1 4.369 0.02 . 1 . . . . . . . . 4913 1 699 . 1 1 91 91 THR HB H 1 4.222 0.02 . 1 . . . . . . . . 4913 1 700 . 1 1 91 91 THR C C 13 175.055 0.15 . 1 . . . . . . . . 4913 1 701 . 1 1 91 91 THR CA C 13 61.816 0.15 . 1 . . . . . . . . 4913 1 702 . 1 1 91 91 THR CB C 13 69.758 0.15 . 1 . . . . . . . . 4913 1 703 . 1 1 91 91 THR N N 15 117.524 0.15 . 1 . . . . . . . . 4913 1 704 . 1 1 92 92 GLY H H 1 8.385 0.02 . 1 . . . . . . . . 4913 1 705 . 1 1 92 92 GLY HA2 H 1 3.955 0.02 . 1 . . . . . . . . 4913 1 706 . 1 1 92 92 GLY HA3 H 1 3.955 0.02 . 1 . . . . . . . . 4913 1 707 . 1 1 92 92 GLY C C 13 173.756 0.15 . 1 . . . . . . . . 4913 1 708 . 1 1 92 92 GLY CA C 13 45.294 0.15 . 1 . . . . . . . . 4913 1 709 . 1 1 92 92 GLY N N 15 110.815 0.15 . 1 . . . . . . . . 4913 1 710 . 1 1 93 93 ASP H H 1 8.239 0.02 . 1 . . . . . . . . 4913 1 711 . 1 1 93 93 ASP HA H 1 4.554 0.02 . 1 . . . . . . . . 4913 1 712 . 1 1 93 93 ASP HB2 H 1 2.600 0.02 . 1 . . . . . . . . 4913 1 713 . 1 1 93 93 ASP HB3 H 1 2.600 0.02 . 1 . . . . . . . . 4913 1 714 . 1 1 93 93 ASP C C 13 175.808 0.15 . 1 . . . . . . . . 4913 1 715 . 1 1 93 93 ASP CA C 13 54.045 0.15 . 1 . . . . . . . . 4913 1 716 . 1 1 93 93 ASP CB C 13 40.690 0.15 . 1 . . . . . . . . 4913 1 717 . 1 1 93 93 ASP N N 15 119.750 0.15 . 1 . . . . . . . . 4913 1 718 . 1 1 94 94 HIS H H 1 8.409 0.02 . 1 . . . . . . . . 4913 1 719 . 1 1 94 94 HIS HA H 1 4.659 0.02 . 1 . . . . . . . . 4913 1 720 . 1 1 94 94 HIS HB2 H 1 3.218 0.02 . 1 . . . . . . . . 4913 1 721 . 1 1 94 94 HIS HB3 H 1 3.148 0.02 . 1 . . . . . . . . 4913 1 722 . 1 1 94 94 HIS C C 13 173.969 0.15 . 1 . . . . . . . . 4913 1 723 . 1 1 94 94 HIS CA C 13 55.123 0.15 . 1 . . . . . . . . 4913 1 724 . 1 1 94 94 HIS CB C 13 28.758 0.15 . 1 . . . . . . . . 4913 1 725 . 1 1 94 94 HIS N N 15 118.300 0.15 . 1 . . . . . . . . 4913 1 726 . 1 1 95 95 ILE H H 1 8.247 0.02 . 1 . . . . . . . . 4913 1 727 . 1 1 95 95 ILE HA H 1 4.407 0.02 . 1 . . . . . . . . 4913 1 728 . 1 1 95 95 ILE C C 13 174.514 0.15 . 1 . . . . . . . . 4913 1 729 . 1 1 95 95 ILE CA C 13 58.695 0.15 . 1 . . . . . . . . 4913 1 730 . 1 1 95 95 ILE CB C 13 38.387 0.15 . 1 . . . . . . . . 4913 1 731 . 1 1 95 95 ILE N N 15 124.607 0.15 . 1 . . . . . . . . 4913 1 732 . 1 1 96 96 PRO HA H 1 4.472 0.02 . 1 . . . . . . . . 4913 1 733 . 1 1 96 96 PRO HB2 H 1 2.285 0.02 . 1 . . . . . . . . 4913 1 734 . 1 1 96 96 PRO HB3 H 1 1.874 0.02 . 1 . . . . . . . . 4913 1 735 . 1 1 96 96 PRO C C 13 176.649 0.15 . 1 . . . . . . . . 4913 1 736 . 1 1 96 96 PRO CA C 13 63.077 0.15 . 1 . . . . . . . . 4913 1 737 . 1 1 96 96 PRO CB C 13 32.069 0.15 . 1 . . . . . . . . 4913 1 738 . 1 1 97 97 THR H H 1 8.378 0.02 . 1 . . . . . . . . 4913 1 739 . 1 1 97 97 THR HA H 1 4.609 0.02 . 1 . . . . . . . . 4913 1 740 . 1 1 97 97 THR HB H 1 4.193 0.02 . 1 . . . . . . . . 4913 1 741 . 1 1 97 97 THR C C 13 173.414 0.15 . 1 . . . . . . . . 4913 1 742 . 1 1 97 97 THR CA C 13 59.801 0.15 . 1 . . . . . . . . 4913 1 743 . 1 1 97 97 THR CB C 13 69.636 0.15 . 1 . . . . . . . . 4913 1 744 . 1 1 97 97 THR N N 15 116.983 0.15 . 1 . . . . . . . . 4913 1 745 . 1 1 98 98 PRO HA H 1 4.250 0.02 . 1 . . . . . . . . 4913 1 746 . 1 1 98 98 PRO HB2 H 1 1.780 0.02 . 1 . . . . . . . . 4913 1 747 . 1 1 98 98 PRO HB3 H 1 1.780 0.02 . 1 . . . . . . . . 4913 1 748 . 1 1 98 98 PRO C C 13 177.088 0.15 . 1 . . . . . . . . 4913 1 749 . 1 1 98 98 PRO CA C 13 63.606 0.15 . 1 . . . . . . . . 4913 1 750 . 1 1 98 98 PRO CB C 13 31.790 0.15 . 1 . . . . . . . . 4913 1 751 . 1 1 99 99 GLN H H 1 8.370 0.02 . 1 . . . . . . . . 4913 1 752 . 1 1 99 99 GLN HA H 1 4.267 0.02 . 1 . . . . . . . . 4913 1 753 . 1 1 99 99 GLN HB2 H 1 2.083 0.02 . 1 . . . . . . . . 4913 1 754 . 1 1 99 99 GLN HB3 H 1 1.946 0.02 . 1 . . . . . . . . 4913 1 755 . 1 1 99 99 GLN C C 13 175.679 0.15 . 1 . . . . . . . . 4913 1 756 . 1 1 99 99 GLN CA C 13 56.069 0.15 . 1 . . . . . . . . 4913 1 757 . 1 1 99 99 GLN CB C 13 29.471 0.15 . 1 . . . . . . . . 4913 1 758 . 1 1 99 99 GLN N N 15 119.418 0.15 . 1 . . . . . . . . 4913 1 759 . 1 1 100 100 ASP H H 1 8.243 0.02 . 1 . . . . . . . . 4913 1 760 . 1 1 100 100 ASP HA H 1 4.593 0.02 . 1 . . . . . . . . 4913 1 761 . 1 1 100 100 ASP HB2 H 1 2.702 0.02 . 1 . . . . . . . . 4913 1 762 . 1 1 100 100 ASP HB3 H 1 2.629 0.02 . 1 . . . . . . . . 4913 1 763 . 1 1 100 100 ASP C C 13 175.622 0.15 . 1 . . . . . . . . 4913 1 764 . 1 1 100 100 ASP CA C 13 54.045 0.15 . 1 . . . . . . . . 4913 1 765 . 1 1 100 100 ASP CB C 13 40.692 0.15 . 1 . . . . . . . . 4913 1 766 . 1 1 100 100 ASP N N 15 120.920 0.15 . 1 . . . . . . . . 4913 1 767 . 1 1 101 101 LEU H H 1 8.049 0.02 . 1 . . . . . . . . 4913 1 768 . 1 1 101 101 LEU HA H 1 4.564 0.02 . 1 . . . . . . . . 4913 1 769 . 1 1 101 101 LEU HB2 H 1 1.559 0.02 . 1 . . . . . . . . 4913 1 770 . 1 1 101 101 LEU HB3 H 1 1.559 0.02 . 1 . . . . . . . . 4913 1 771 . 1 1 101 101 LEU C C 13 175.241 0.15 . 1 . . . . . . . . 4913 1 772 . 1 1 101 101 LEU CA C 13 53.230 0.15 . 1 . . . . . . . . 4913 1 773 . 1 1 101 101 LEU CB C 13 41.705 0.15 . 1 . . . . . . . . 4913 1 774 . 1 1 101 101 LEU N N 15 123.310 0.15 . 1 . . . . . . . . 4913 1 775 . 1 1 102 102 PRO HA H 1 4.382 0.02 . 1 . . . . . . . . 4913 1 776 . 1 1 102 102 PRO HB2 H 1 2.279 0.02 . 1 . . . . . . . . 4913 1 777 . 1 1 102 102 PRO HB3 H 1 1.853 0.02 . 1 . . . . . . . . 4913 1 778 . 1 1 102 102 PRO C C 13 176.962 0.15 . 1 . . . . . . . . 4913 1 779 . 1 1 102 102 PRO CA C 13 63.212 0.15 . 1 . . . . . . . . 4913 1 780 . 1 1 102 102 PRO CB C 13 31.807 0.15 . 1 . . . . . . . . 4913 1 781 . 1 1 103 103 GLN H H 1 8.442 0.02 . 1 . . . . . . . . 4913 1 782 . 1 1 103 103 GLN HA H 1 4.282 0.02 . 1 . . . . . . . . 4913 1 783 . 1 1 103 103 GLN HB2 H 1 2.064 0.02 . 1 . . . . . . . . 4913 1 784 . 1 1 103 103 GLN HB3 H 1 1.944 0.02 . 1 . . . . . . . . 4913 1 785 . 1 1 103 103 GLN C C 13 175.985 0.15 . 1 . . . . . . . . 4913 1 786 . 1 1 103 103 GLN CA C 13 55.685 0.15 . 1 . . . . . . . . 4913 1 787 . 1 1 103 103 GLN CB C 13 29.515 0.15 . 1 . . . . . . . . 4913 1 788 . 1 1 103 103 GLN N N 15 120.240 0.15 . 1 . . . . . . . . 4913 1 789 . 1 1 104 104 ARG H H 1 8.352 0.02 . 1 . . . . . . . . 4913 1 790 . 1 1 104 104 ARG HA H 1 4.304 0.02 . 1 . . . . . . . . 4913 1 791 . 1 1 104 104 ARG HB2 H 1 1.799 0.02 . 1 . . . . . . . . 4913 1 792 . 1 1 104 104 ARG HB3 H 1 1.732 0.02 . 1 . . . . . . . . 4913 1 793 . 1 1 104 104 ARG C C 13 175.965 0.15 . 1 . . . . . . . . 4913 1 794 . 1 1 104 104 ARG CA C 13 55.806 0.15 . 1 . . . . . . . . 4913 1 795 . 1 1 104 104 ARG CB C 13 30.774 0.15 . 1 . . . . . . . . 4913 1 796 . 1 1 104 104 ARG N N 15 122.671 0.15 . 1 . . . . . . . . 4913 1 797 . 1 1 105 105 LYS H H 1 8.415 0.02 . 1 . . . . . . . . 4913 1 798 . 1 1 105 105 LYS HA H 1 4.578 0.02 . 1 . . . . . . . . 4913 1 799 . 1 1 105 105 LYS C C 13 174.515 0.15 . 1 . . . . . . . . 4913 1 800 . 1 1 105 105 LYS CA C 13 54.204 0.15 . 1 . . . . . . . . 4913 1 801 . 1 1 105 105 LYS CB C 13 32.324 0.15 . 1 . . . . . . . . 4913 1 802 . 1 1 105 105 LYS N N 15 124.387 0.15 . 1 . . . . . . . . 4913 1 803 . 1 1 106 106 PRO HA H 1 4.408 0.02 . 1 . . . . . . . . 4913 1 804 . 1 1 106 106 PRO HB2 H 1 2.295 0.02 . 1 . . . . . . . . 4913 1 805 . 1 1 106 106 PRO HB3 H 1 1.889 0.02 . 1 . . . . . . . . 4913 1 806 . 1 1 106 106 PRO C C 13 176.839 0.15 . 1 . . . . . . . . 4913 1 807 . 1 1 106 106 PRO CA C 13 63.130 0.15 . 1 . . . . . . . . 4913 1 808 . 1 1 106 106 PRO CB C 13 32.059 0.15 . 1 . . . . . . . . 4913 1 809 . 1 1 107 107 SER H H 1 8.401 0.02 . 1 . . . . . . . . 4913 1 810 . 1 1 107 107 SER HA H 1 4.409 0.02 . 1 . . . . . . . . 4913 1 811 . 1 1 107 107 SER HB2 H 1 3.841 0.02 . 1 . . . . . . . . 4913 1 812 . 1 1 107 107 SER HB3 H 1 3.841 0.02 . 1 . . . . . . . . 4913 1 813 . 1 1 107 107 SER C C 13 174.496 0.15 . 1 . . . . . . . . 4913 1 814 . 1 1 107 107 SER CA C 13 58.130 0.15 . 1 . . . . . . . . 4913 1 815 . 1 1 107 107 SER CB C 13 63.674 0.15 . 1 . . . . . . . . 4913 1 816 . 1 1 107 107 SER N N 15 116.160 0.15 . 1 . . . . . . . . 4913 1 817 . 1 1 108 108 LEU H H 1 8.333 0.02 . 1 . . . . . . . . 4913 1 818 . 1 1 108 108 LEU HA H 1 4.378 0.02 . 1 . . . . . . . . 4913 1 819 . 1 1 108 108 LEU HB2 H 1 1.607 0.02 . 1 . . . . . . . . 4913 1 820 . 1 1 108 108 LEU HB3 H 1 1.607 0.02 . 1 . . . . . . . . 4913 1 821 . 1 1 108 108 LEU C C 13 177.274 0.15 . 1 . . . . . . . . 4913 1 822 . 1 1 108 108 LEU CA C 13 55.255 0.15 . 1 . . . . . . . . 4913 1 823 . 1 1 108 108 LEU CB C 13 42.313 0.15 . 1 . . . . . . . . 4913 1 824 . 1 1 108 108 LEU N N 15 127.667 0.15 . 1 . . . . . . . . 4913 1 825 . 1 1 109 109 VAL H H 1 8.068 0.02 . 1 . . . . . . . . 4913 1 826 . 1 1 109 109 VAL HA H 1 4.058 0.02 . 1 . . . . . . . . 4913 1 827 . 1 1 109 109 VAL HB H 1 2.029 0.02 . 1 . . . . . . . . 4913 1 828 . 1 1 109 109 VAL C C 13 175.871 0.15 . 1 . . . . . . . . 4913 1 829 . 1 1 109 109 VAL CA C 13 62.178 0.15 . 1 . . . . . . . . 4913 1 830 . 1 1 109 109 VAL CB C 13 32.760 0.15 . 1 . . . . . . . . 4913 1 831 . 1 1 109 109 VAL N N 15 121.100 0.15 . 1 . . . . . . . . 4913 1 832 . 1 1 110 110 ALA H H 1 8.369 0.02 . 1 . . . . . . . . 4913 1 833 . 1 1 110 110 ALA HA H 1 4.304 0.02 . 1 . . . . . . . . 4913 1 834 . 1 1 110 110 ALA HB1 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 835 . 1 1 110 110 ALA HB2 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 836 . 1 1 110 110 ALA HB3 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 837 . 1 1 110 110 ALA C C 13 177.742 0.15 . 1 . . . . . . . . 4913 1 838 . 1 1 110 110 ALA CA C 13 52.524 0.15 . 1 . . . . . . . . 4913 1 839 . 1 1 110 110 ALA CB C 13 19.111 0.15 . 1 . . . . . . . . 4913 1 840 . 1 1 110 110 ALA N N 15 128.047 0.15 . 1 . . . . . . . . 4913 1 841 . 1 1 111 111 SER H H 1 8.245 0.02 . 1 . . . . . . . . 4913 1 842 . 1 1 111 111 SER HA H 1 4.381 0.02 . 1 . . . . . . . . 4913 1 843 . 1 1 111 111 SER HB2 H 1 3.849 0.02 . 1 . . . . . . . . 4913 1 844 . 1 1 111 111 SER HB3 H 1 3.849 0.02 . 1 . . . . . . . . 4913 1 845 . 1 1 111 111 SER C C 13 174.535 0.15 . 1 . . . . . . . . 4913 1 846 . 1 1 111 111 SER CA C 13 58.337 0.15 . 1 . . . . . . . . 4913 1 847 . 1 1 111 111 SER CB C 13 63.560 0.15 . 1 . . . . . . . . 4913 1 848 . 1 1 111 111 SER N N 15 115.295 0.15 . 1 . . . . . . . . 4913 1 849 . 1 1 112 112 LYS H H 1 8.317 0.02 . 1 . . . . . . . . 4913 1 850 . 1 1 112 112 LYS HA H 1 4.329 0.02 . 1 . . . . . . . . 4913 1 851 . 1 1 112 112 LYS HB2 H 1 1.843 0.02 . 1 . . . . . . . . 4913 1 852 . 1 1 112 112 LYS HB3 H 1 1.735 0.02 . 1 . . . . . . . . 4913 1 853 . 1 1 112 112 LYS C C 13 176.420 0.15 . 1 . . . . . . . . 4913 1 854 . 1 1 112 112 LYS CA C 13 56.239 0.15 . 1 . . . . . . . . 4913 1 855 . 1 1 112 112 LYS CB C 13 32.835 0.15 . 1 . . . . . . . . 4913 1 856 . 1 1 112 112 LYS N N 15 123.215 0.15 . 1 . . . . . . . . 4913 1 857 . 1 1 113 113 LEU H H 1 8.218 0.02 . 1 . . . . . . . . 4913 1 858 . 1 1 113 113 LEU HA H 1 4.316 0.02 . 1 . . . . . . . . 4913 1 859 . 1 1 113 113 LEU HB2 H 1 1.603 0.02 . 1 . . . . . . . . 4913 1 860 . 1 1 113 113 LEU HB3 H 1 1.603 0.02 . 1 . . . . . . . . 4913 1 861 . 1 1 113 113 LEU C C 13 176.970 0.15 . 1 . . . . . . . . 4913 1 862 . 1 1 113 113 LEU CA C 13 55.143 0.15 . 1 . . . . . . . . 4913 1 863 . 1 1 113 113 LEU CB C 13 42.255 0.15 . 1 . . . . . . . . 4913 1 864 . 1 1 113 113 LEU N N 15 123.402 0.15 . 1 . . . . . . . . 4913 1 865 . 1 1 114 114 ALA H H 1 8.222 0.02 . 1 . . . . . . . . 4913 1 866 . 1 1 114 114 ALA HA H 1 4.329 0.02 . 1 . . . . . . . . 4913 1 867 . 1 1 114 114 ALA HB1 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 868 . 1 1 114 114 ALA HB2 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 869 . 1 1 114 114 ALA HB3 H 1 1.380 0.02 . 1 . . . . . . . . 4913 1 870 . 1 1 114 114 ALA C C 13 176.948 0.15 . 1 . . . . . . . . 4913 1 871 . 1 1 114 114 ALA CA C 13 52.300 0.15 . 1 . . . . . . . . 4913 1 872 . 1 1 114 114 ALA CB C 13 19.398 0.15 . 1 . . . . . . . . 4913 1 873 . 1 1 114 114 ALA N N 15 124.907 0.15 . 1 . . . . . . . . 4913 1 874 . 1 1 115 115 GLY H H 1 7.888 0.02 . 1 . . . . . . . . 4913 1 875 . 1 1 115 115 GLY HA2 H 1 3.730 0.02 . 1 . . . . . . . . 4913 1 876 . 1 1 115 115 GLY HA3 H 1 3.730 0.02 . 1 . . . . . . . . 4913 1 877 . 1 1 115 115 GLY C C 13 178.835 0.15 . 1 . . . . . . . . 4913 1 878 . 1 1 115 115 GLY CA C 13 45.940 0.15 . 1 . . . . . . . . 4913 1 879 . 1 1 115 115 GLY N N 15 114.129 0.15 . 1 . . . . . . . . 4913 1 stop_ save_