data_15627 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15627 _Entry.Title ; 1H, 13C and 15N resonance assignment of the C103S mutant of the N-terminal domain of DsbD from Neisseria meningitidis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-18 _Entry.Accession_date 2008-01-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _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 Marc Quinternet . . . 15627 2 Laure Selme . . . 15627 3 Chrystel Beaufils . . . 15627 4 Pascale Tsan . . . 15627 5 Sandrine Boschi-Muller . . . 15627 6 Marie-Christine Averlant-Petit . . . 15627 7 Guy Branlant . . . 15627 8 Manh-Thong Cung . . . 15627 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15627 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 15627 '15N chemical shifts' 115 15627 '1H chemical shifts' 787 15627 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 3 . . 2009-08-13 2008-01-18 update BMRB 'added PubMed ID' 15627 2 . . 2008-06-05 2008-01-18 update BMRB 'complete entry citation' 15627 1 . . 2008-04-22 2008-01-18 original author 'original release' 15627 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15627 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636931 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N resonance assignment of the C103S mutant of the N-terminal domain of DsbD from Neisseria meningitidis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _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 85 _Citation.Page_last 87 _Citation.Year 2008 _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 Marc Quinternet . . . 15627 1 2 Laure Selme . . . 15627 1 3 Chrystel Beaufils . . . 15627 1 4 Pascale Tsan . . . 15627 1 5 Christophe Jacob . . . 15627 1 6 Sandrine Boschi-Muller . . . 15627 1 7 Marie-Christine Averlant-Petit . . . 15627 1 8 Guy Branlant . . . 15627 1 9 Manh-Thong Cung . . . 15627 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID mutant 15627 1 Neisseria 15627 1 'N-terminal domain' 15627 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15627 _Assembly.ID 1 _Assembly.Name nDsbD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $nDsbD A . yes native no no . . . 15627 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nDsbD _Entity.Sf_category entity _Entity.Sf_framecode nDsbD _Entity.Entry_ID 15627 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nDsbD _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 ; MALDANDLLPPEKAFVPELA VADDGVNVRFRIADGYYMYQ AKIVGKTNPADLLGQPSFSK GEEKEDEFFGRQTVYHHEAQ VAFPYAKAVGEPYKLVLTYQ GSAEAGVCYPPVDTEFDIFG NGTYHPQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K0R . "Solution Structure Of The C103s Mutant Of The N-Terminal Domain Of Dsbd From Neisseria Meningitidis" . . . . . 100.00 128 100.00 100.00 1.32e-87 . . . . 15627 1 2 no PDB 2K9F . "Structural Features Of The Complex Between The Dsbd N- Terminal And The Pilb N-Terminal Domains From Neisseria Meningitidis" . . . . . 100.00 128 100.00 100.00 1.32e-87 . . . . 15627 1 3 no EMBL CAM08848 . "putative disulphide isomerase [Neisseria meningitidis Z2491]" . . . . . 99.22 613 97.64 98.43 3.41e-80 . . . . 15627 1 4 no EMBL CAM10655 . "putative disulphide isomerase [Neisseria meningitidis FAM18]" . . . . . 99.22 613 97.64 97.64 2.26e-80 . . . . 15627 1 5 no EMBL CAX49754 . "thiol:disulfide interchange protein DsbD (protein-disulfide reductase; disulfide reductase) [Neisseria meningitidis 8013]" . . . . . 99.22 601 99.21 99.21 2.48e-82 . . . . 15627 1 6 no EMBL CBA05538 . "thiol:disulfide interchange protein DsbD [Neisseria meningitidis alpha275]" . . . . . 99.22 613 97.64 97.64 2.30e-80 . . . . 15627 1 7 no EMBL CBA06830 . "thiol:disulfide interchange protein DsbD [Neisseria meningitidis alpha153]" . . . . . 99.22 613 97.64 98.43 3.41e-80 . . . . 15627 1 8 no GB AAF41875 . "thiol:disulfide interchange protein DsbD [Neisseria meningitidis MC58]" . . . . . 99.22 601 98.43 99.21 1.78e-81 . . . . 15627 1 9 no GB ABX73592 . "thiol:disulfide interchange protein DsbD [Neisseria meningitidis 053442]" . . . . . 99.22 613 97.64 98.43 3.30e-80 . . . . 15627 1 10 no GB ADY95333 . "cytochrome C biogenesis protein transmembrane region [Neisseria meningitidis H44/76]" . . . . . 99.22 601 98.43 99.21 1.78e-81 . . . . 15627 1 11 no GB ADY99950 . "cytochrome C biogenesis protein transmembrane region [Neisseria meningitidis M01-240355]" . . . . . 99.22 613 99.21 99.21 2.90e-82 . . . . 15627 1 12 no GB ADZ01187 . "cytochrome C biogenesis protein transmembrane region [Neisseria meningitidis M04-240196]" . . . . . 99.22 613 97.64 98.43 3.30e-80 . . . . 15627 1 13 no PIR B81868 . "thiol-disulfide interchange protein dsbD homolog NMA1719 [similarity] - Neisseria meningitidis (strain Z2491 serogroup A)" . . . . . 99.22 613 97.64 98.43 3.41e-80 . . . . 15627 1 14 no REF NP_274527 . "thiol:disulfide interchange protein [Neisseria meningitidis MC58]" . . . . . 99.22 601 98.43 99.21 1.78e-81 . . . . 15627 1 15 no REF WP_002232751 . "thiol:disulfide interchange protein DsbD [Neisseria meningitidis]" . . . . . 99.22 601 97.64 98.43 3.27e-80 . . . . 15627 1 16 no REF WP_002234074 . "thiol:disulfide interchange protein DsbD [Neisseria meningitidis]" . . . . . 99.22 601 97.64 98.43 3.17e-80 . . . . 15627 1 17 no REF WP_002235976 . "thiol:disulfide interchange protein [Neisseria meningitidis]" . . . . . 99.22 601 97.64 98.43 3.83e-80 . . . . 15627 1 18 no REF WP_002238135 . "thiol:disulfide interchange protein [Neisseria meningitidis]" . . . . . 99.22 601 97.64 98.43 2.82e-80 . . . . 15627 1 19 no SP Q9JTL9 . "RecName: Full=Thiol:disulfide interchange protein DsbD; AltName: Full=Protein-disulfide reductase; Short=Disulfide reductase; F" . . . . . 99.22 601 97.64 98.43 2.82e-80 . . . . 15627 1 20 no SP Q9JYM0 . "RecName: Full=Thiol:disulfide interchange protein DsbD; AltName: Full=Protein-disulfide reductase; Short=Disulfide reductase; F" . . . . . 99.22 601 98.43 99.21 1.78e-81 . . . . 15627 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'electron transport' 15627 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 2 MET . 15627 1 2 3 ALA . 15627 1 3 4 LEU . 15627 1 4 5 ASP . 15627 1 5 6 ALA . 15627 1 6 7 ASN . 15627 1 7 8 ASP . 15627 1 8 9 LEU . 15627 1 9 10 LEU . 15627 1 10 11 PRO . 15627 1 11 12 PRO . 15627 1 12 13 GLU . 15627 1 13 14 LYS . 15627 1 14 15 ALA . 15627 1 15 16 PHE . 15627 1 16 17 VAL . 15627 1 17 18 PRO . 15627 1 18 19 GLU . 15627 1 19 20 LEU . 15627 1 20 21 ALA . 15627 1 21 22 VAL . 15627 1 22 23 ALA . 15627 1 23 24 ASP . 15627 1 24 25 ASP . 15627 1 25 26 GLY . 15627 1 26 27 VAL . 15627 1 27 28 ASN . 15627 1 28 29 VAL . 15627 1 29 30 ARG . 15627 1 30 31 PHE . 15627 1 31 32 ARG . 15627 1 32 33 ILE . 15627 1 33 34 ALA . 15627 1 34 35 ASP . 15627 1 35 36 GLY . 15627 1 36 37 TYR . 15627 1 37 38 TYR . 15627 1 38 39 MET . 15627 1 39 40 TYR . 15627 1 40 41 GLN . 15627 1 41 42 ALA . 15627 1 42 43 LYS . 15627 1 43 44 ILE . 15627 1 44 45 VAL . 15627 1 45 46 GLY . 15627 1 46 47 LYS . 15627 1 47 48 THR . 15627 1 48 49 ASN . 15627 1 49 50 PRO . 15627 1 50 51 ALA . 15627 1 51 52 ASP . 15627 1 52 53 LEU . 15627 1 53 54 LEU . 15627 1 54 55 GLY . 15627 1 55 56 GLN . 15627 1 56 57 PRO . 15627 1 57 58 SER . 15627 1 58 59 PHE . 15627 1 59 60 SER . 15627 1 60 61 LYS . 15627 1 61 62 GLY . 15627 1 62 63 GLU . 15627 1 63 64 GLU . 15627 1 64 65 LYS . 15627 1 65 66 GLU . 15627 1 66 67 ASP . 15627 1 67 68 GLU . 15627 1 68 69 PHE . 15627 1 69 70 PHE . 15627 1 70 71 GLY . 15627 1 71 72 ARG . 15627 1 72 73 GLN . 15627 1 73 74 THR . 15627 1 74 75 VAL . 15627 1 75 76 TYR . 15627 1 76 77 HIS . 15627 1 77 78 HIS . 15627 1 78 79 GLU . 15627 1 79 80 ALA . 15627 1 80 81 GLN . 15627 1 81 82 VAL . 15627 1 82 83 ALA . 15627 1 83 84 PHE . 15627 1 84 85 PRO . 15627 1 85 86 TYR . 15627 1 86 87 ALA . 15627 1 87 88 LYS . 15627 1 88 89 ALA . 15627 1 89 90 VAL . 15627 1 90 91 GLY . 15627 1 91 92 GLU . 15627 1 92 93 PRO . 15627 1 93 94 TYR . 15627 1 94 95 LYS . 15627 1 95 96 LEU . 15627 1 96 97 VAL . 15627 1 97 98 LEU . 15627 1 98 99 THR . 15627 1 99 100 TYR . 15627 1 100 101 GLN . 15627 1 101 102 GLY . 15627 1 102 103 SER . 15627 1 103 104 ALA . 15627 1 104 105 GLU . 15627 1 105 106 ALA . 15627 1 106 107 GLY . 15627 1 107 108 VAL . 15627 1 108 109 CYS . 15627 1 109 110 TYR . 15627 1 110 111 PRO . 15627 1 111 112 PRO . 15627 1 112 113 VAL . 15627 1 113 114 ASP . 15627 1 114 115 THR . 15627 1 115 116 GLU . 15627 1 116 117 PHE . 15627 1 117 118 ASP . 15627 1 118 119 ILE . 15627 1 119 120 PHE . 15627 1 120 121 GLY . 15627 1 121 122 ASN . 15627 1 122 123 GLY . 15627 1 123 124 THR . 15627 1 124 125 TYR . 15627 1 125 126 HIS . 15627 1 126 127 PRO . 15627 1 127 128 GLN . 15627 1 128 129 THR . 15627 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 . MET 1 1 15627 1 . ALA 2 2 15627 1 . LEU 3 3 15627 1 . ASP 4 4 15627 1 . ALA 5 5 15627 1 . ASN 6 6 15627 1 . ASP 7 7 15627 1 . LEU 8 8 15627 1 . LEU 9 9 15627 1 . PRO 10 10 15627 1 . PRO 11 11 15627 1 . GLU 12 12 15627 1 . LYS 13 13 15627 1 . ALA 14 14 15627 1 . PHE 15 15 15627 1 . VAL 16 16 15627 1 . PRO 17 17 15627 1 . GLU 18 18 15627 1 . LEU 19 19 15627 1 . ALA 20 20 15627 1 . VAL 21 21 15627 1 . ALA 22 22 15627 1 . ASP 23 23 15627 1 . ASP 24 24 15627 1 . GLY 25 25 15627 1 . VAL 26 26 15627 1 . ASN 27 27 15627 1 . VAL 28 28 15627 1 . ARG 29 29 15627 1 . PHE 30 30 15627 1 . ARG 31 31 15627 1 . ILE 32 32 15627 1 . ALA 33 33 15627 1 . ASP 34 34 15627 1 . GLY 35 35 15627 1 . TYR 36 36 15627 1 . TYR 37 37 15627 1 . MET 38 38 15627 1 . TYR 39 39 15627 1 . GLN 40 40 15627 1 . ALA 41 41 15627 1 . LYS 42 42 15627 1 . ILE 43 43 15627 1 . VAL 44 44 15627 1 . GLY 45 45 15627 1 . LYS 46 46 15627 1 . THR 47 47 15627 1 . ASN 48 48 15627 1 . PRO 49 49 15627 1 . ALA 50 50 15627 1 . ASP 51 51 15627 1 . LEU 52 52 15627 1 . LEU 53 53 15627 1 . GLY 54 54 15627 1 . GLN 55 55 15627 1 . PRO 56 56 15627 1 . SER 57 57 15627 1 . PHE 58 58 15627 1 . SER 59 59 15627 1 . LYS 60 60 15627 1 . GLY 61 61 15627 1 . GLU 62 62 15627 1 . GLU 63 63 15627 1 . LYS 64 64 15627 1 . GLU 65 65 15627 1 . ASP 66 66 15627 1 . GLU 67 67 15627 1 . PHE 68 68 15627 1 . PHE 69 69 15627 1 . GLY 70 70 15627 1 . ARG 71 71 15627 1 . GLN 72 72 15627 1 . THR 73 73 15627 1 . VAL 74 74 15627 1 . TYR 75 75 15627 1 . HIS 76 76 15627 1 . HIS 77 77 15627 1 . GLU 78 78 15627 1 . ALA 79 79 15627 1 . GLN 80 80 15627 1 . VAL 81 81 15627 1 . ALA 82 82 15627 1 . PHE 83 83 15627 1 . PRO 84 84 15627 1 . TYR 85 85 15627 1 . ALA 86 86 15627 1 . LYS 87 87 15627 1 . ALA 88 88 15627 1 . VAL 89 89 15627 1 . GLY 90 90 15627 1 . GLU 91 91 15627 1 . PRO 92 92 15627 1 . TYR 93 93 15627 1 . LYS 94 94 15627 1 . LEU 95 95 15627 1 . VAL 96 96 15627 1 . LEU 97 97 15627 1 . THR 98 98 15627 1 . TYR 99 99 15627 1 . GLN 100 100 15627 1 . GLY 101 101 15627 1 . SER 102 102 15627 1 . ALA 103 103 15627 1 . GLU 104 104 15627 1 . ALA 105 105 15627 1 . GLY 106 106 15627 1 . VAL 107 107 15627 1 . CYS 108 108 15627 1 . TYR 109 109 15627 1 . PRO 110 110 15627 1 . PRO 111 111 15627 1 . VAL 112 112 15627 1 . ASP 113 113 15627 1 . THR 114 114 15627 1 . GLU 115 115 15627 1 . PHE 116 116 15627 1 . ASP 117 117 15627 1 . ILE 118 118 15627 1 . PHE 119 119 15627 1 . GLY 120 120 15627 1 . ASN 121 121 15627 1 . GLY 122 122 15627 1 . THR 123 123 15627 1 . TYR 124 124 15627 1 . HIS 125 125 15627 1 . PRO 126 126 15627 1 . GLN 127 127 15627 1 . THR 128 128 15627 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 15627 _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 $nDsbD . 487 organism . 'Neisseria meningitidis' 'Micrococcus meningitidis' . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . . . . . . . . . 15627 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 15627 _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 $nDsbD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETnDsbDC103S . . . . . . 15627 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15627 _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 nDsbD '[U-100% 13C; U-100% 15N]' . . 1 $nDsbD . . 0.5 . . mM . . . . 15627 1 2 'Potassium phosphate (KPi)' . . . . . . . 20 . . mM . . . . 15627 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 15627 _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' 20 . mM 15627 1 pH 7.0 . pH 15627 1 pressure 1 . atm 15627 1 temperature 299 . K 15627 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15627 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15627 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15627 1 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 15627 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15627 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15627 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 15627 _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 . . . . . . . . . . . . . . . . 15627 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 1 9 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15627 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 15627 _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 TMS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 15627 1 H 1 TMS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15627 1 N 15 TMS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15627 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 15627 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15627 1 2 '3D HNCO' . . . 15627 1 3 '3D HNCA' . . . 15627 1 4 '3D HN(CO)CA' . . . 15627 1 5 '3D HNCACB' . . . 15627 1 6 '3D CBCA(CO)NH' . . . 15627 1 7 '3D 1H-15N NOESY' . . . 15627 1 8 '3D HCCH-TOCSY' . . . 15627 1 9 '3D HNHB' . . . 15627 1 10 '3D HNHA' . . . 15627 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 3 3 LEU CA C 13 55.246 0.020 . 1 . . . . 4 LEU CA . 15627 1 2 . 1 1 3 3 LEU CB C 13 42.151 0.020 . 1 . . . . 4 LEU CB . 15627 1 3 . 1 1 4 4 ASP H H 1 8.371 0.010 . 1 . . . . 5 ASP H . 15627 1 4 . 1 1 4 4 ASP HA H 1 4.452 0.010 . 1 . . . . 5 ASP HA . 15627 1 5 . 1 1 4 4 ASP HB2 H 1 2.464 0.010 . 2 . . . . 5 ASP QB . 15627 1 6 . 1 1 4 4 ASP HB3 H 1 2.464 0.010 . 2 . . . . 5 ASP QB . 15627 1 7 . 1 1 4 4 ASP C C 13 176.093 0.020 . 1 . . . . 5 ASP C . 15627 1 8 . 1 1 4 4 ASP CA C 13 53.750 0.020 . 1 . . . . 5 ASP CA . 15627 1 9 . 1 1 4 4 ASP CB C 13 41.160 0.020 . 1 . . . . 5 ASP CB . 15627 1 10 . 1 1 4 4 ASP N N 15 123.104 0.020 . 1 . . . . 5 ASP N . 15627 1 11 . 1 1 5 5 ALA H H 1 8.224 0.010 . 1 . . . . 6 ALA H . 15627 1 12 . 1 1 5 5 ALA HA H 1 4.040 0.010 . 1 . . . . 6 ALA HA . 15627 1 13 . 1 1 5 5 ALA HB1 H 1 1.207 0.010 . 1 . . . . 6 ALA QB . 15627 1 14 . 1 1 5 5 ALA HB2 H 1 1.207 0.010 . 1 . . . . 6 ALA QB . 15627 1 15 . 1 1 5 5 ALA HB3 H 1 1.207 0.010 . 1 . . . . 6 ALA QB . 15627 1 16 . 1 1 5 5 ALA C C 13 177.902 0.020 . 1 . . . . 6 ALA C . 15627 1 17 . 1 1 5 5 ALA CA C 13 53.439 0.020 . 1 . . . . 6 ALA CA . 15627 1 18 . 1 1 5 5 ALA CB C 13 18.868 0.020 . 1 . . . . 6 ALA CB . 15627 1 19 . 1 1 5 5 ALA N N 15 125.646 0.020 . 1 . . . . 6 ALA N . 15627 1 20 . 1 1 6 6 ASN H H 1 8.349 0.010 . 1 . . . . 7 ASN H . 15627 1 21 . 1 1 6 6 ASN HA H 1 4.510 0.010 . 1 . . . . 7 ASN HA . 15627 1 22 . 1 1 6 6 ASN HB2 H 1 2.602 0.010 . 2 . . . . 7 ASN QB . 15627 1 23 . 1 1 6 6 ASN HB3 H 1 2.602 0.010 . 2 . . . . 7 ASN QB . 15627 1 24 . 1 1 6 6 ASN C C 13 175.055 0.020 . 1 . . . . 7 ASN C . 15627 1 25 . 1 1 6 6 ASN CA C 13 53.699 0.020 . 1 . . . . 7 ASN CA . 15627 1 26 . 1 1 6 6 ASN CB C 13 38.850 0.020 . 1 . . . . 7 ASN CB . 15627 1 27 . 1 1 6 6 ASN N N 15 117.416 0.020 . 1 . . . . 7 ASN N . 15627 1 28 . 1 1 7 7 ASP H H 1 8.018 0.010 . 1 . . . . 8 ASP H . 15627 1 29 . 1 1 7 7 ASP HA H 1 4.422 0.010 . 1 . . . . 8 ASP HA . 15627 1 30 . 1 1 7 7 ASP HB2 H 1 2.500 0.010 . 2 . . . . 8 ASP QB . 15627 1 31 . 1 1 7 7 ASP HB3 H 1 2.500 0.010 . 2 . . . . 8 ASP QB . 15627 1 32 . 1 1 7 7 ASP C C 13 175.823 0.020 . 1 . . . . 8 ASP C . 15627 1 33 . 1 1 7 7 ASP CA C 13 53.965 0.020 . 1 . . . . 8 ASP CA . 15627 1 34 . 1 1 7 7 ASP CB C 13 41.113 0.020 . 1 . . . . 8 ASP CB . 15627 1 35 . 1 1 7 7 ASP N N 15 120.466 0.020 . 1 . . . . 8 ASP N . 15627 1 36 . 1 1 8 8 LEU H H 1 7.694 0.010 . 1 . . . . 9 LEU H . 15627 1 37 . 1 1 8 8 LEU HA H 1 4.296 0.010 . 1 . . . . 9 LEU HA . 15627 1 38 . 1 1 8 8 LEU HB2 H 1 1.527 0.010 . 1 . . . . 9 LEU HB2 . 15627 1 39 . 1 1 8 8 LEU HB3 H 1 1.718 0.010 . 1 . . . . 9 LEU HB3 . 15627 1 40 . 1 1 8 8 LEU HD11 H 1 0.716 0.010 . 2 . . . . 9 LEU QD1 . 15627 1 41 . 1 1 8 8 LEU HD12 H 1 0.716 0.010 . 2 . . . . 9 LEU QD1 . 15627 1 42 . 1 1 8 8 LEU HD13 H 1 0.716 0.010 . 2 . . . . 9 LEU QD1 . 15627 1 43 . 1 1 8 8 LEU HG H 1 1.436 0.010 . 1 . . . . 9 LEU HG . 15627 1 44 . 1 1 8 8 LEU C C 13 177.285 0.020 . 1 . . . . 9 LEU C . 15627 1 45 . 1 1 8 8 LEU CA C 13 54.280 0.020 . 1 . . . . 9 LEU CA . 15627 1 46 . 1 1 8 8 LEU CB C 13 42.635 0.020 . 1 . . . . 9 LEU CB . 15627 1 47 . 1 1 8 8 LEU CD1 C 13 22.917 0.020 . 1 . . . . 9 LEU CD1 . 15627 1 48 . 1 1 8 8 LEU CG C 13 26.753 0.020 . 1 . . . . 9 LEU CG . 15627 1 49 . 1 1 8 8 LEU N N 15 122.031 0.020 . 1 . . . . 9 LEU N . 15627 1 50 . 1 1 9 9 LEU H H 1 8.107 0.010 . 1 . . . . 10 LEU H . 15627 1 51 . 1 1 9 9 LEU HA H 1 4.279 0.010 . 1 . . . . 10 LEU HA . 15627 1 52 . 1 1 9 9 LEU HB2 H 1 0.926 0.010 . 2 . . . . 10 LEU QB . 15627 1 53 . 1 1 9 9 LEU HB3 H 1 0.926 0.010 . 2 . . . . 10 LEU QB . 15627 1 54 . 1 1 9 9 LEU HD11 H 1 0.337 0.010 . 2 . . . . 10 LEU QD1 . 15627 1 55 . 1 1 9 9 LEU HD12 H 1 0.337 0.010 . 2 . . . . 10 LEU QD1 . 15627 1 56 . 1 1 9 9 LEU HD13 H 1 0.337 0.010 . 2 . . . . 10 LEU QD1 . 15627 1 57 . 1 1 9 9 LEU HD21 H 1 0.601 0.010 . 2 . . . . 10 LEU QD2 . 15627 1 58 . 1 1 9 9 LEU HD22 H 1 0.601 0.010 . 2 . . . . 10 LEU QD2 . 15627 1 59 . 1 1 9 9 LEU HD23 H 1 0.601 0.010 . 2 . . . . 10 LEU QD2 . 15627 1 60 . 1 1 9 9 LEU HG H 1 1.566 0.010 . 1 . . . . 10 LEU HG . 15627 1 61 . 1 1 9 9 LEU C C 13 175.225 0.020 . 1 . . . . 10 LEU C . 15627 1 62 . 1 1 9 9 LEU CA C 13 52.599 0.020 . 1 . . . . 10 LEU CA . 15627 1 63 . 1 1 9 9 LEU CB C 13 42.446 0.020 . 1 . . . . 10 LEU CB . 15627 1 64 . 1 1 9 9 LEU CD1 C 13 25.253 0.020 . 1 . . . . 10 LEU CD1 . 15627 1 65 . 1 1 9 9 LEU CD2 C 13 22.767 0.020 . 1 . . . . 10 LEU CD2 . 15627 1 66 . 1 1 9 9 LEU CG C 13 26.518 0.020 . 1 . . . . 10 LEU CG . 15627 1 67 . 1 1 9 9 LEU N N 15 122.994 0.020 . 1 . . . . 10 LEU N . 15627 1 68 . 1 1 11 11 PRO HA H 1 3.495 0.010 . 1 . . . . 12 PRO HA . 15627 1 69 . 1 1 11 11 PRO HB2 H 1 1.796 0.010 . 1 . . . . 12 PRO HB2 . 15627 1 70 . 1 1 11 11 PRO HB3 H 1 1.834 0.010 . 1 . . . . 12 PRO HB3 . 15627 1 71 . 1 1 11 11 PRO HD2 H 1 3.219 0.010 . 2 . . . . 12 PRO QD . 15627 1 72 . 1 1 11 11 PRO HD3 H 1 3.219 0.010 . 2 . . . . 12 PRO QD . 15627 1 73 . 1 1 11 11 PRO HG2 H 1 1.985 0.010 . 2 . . . . 12 PRO QG . 15627 1 74 . 1 1 11 11 PRO HG3 H 1 1.985 0.010 . 2 . . . . 12 PRO QG . 15627 1 75 . 1 1 11 11 PRO C C 13 176.731 0.020 . 1 . . . . 12 PRO C . 15627 1 76 . 1 1 11 11 PRO CA C 13 65.127 0.020 . 1 . . . . 12 PRO CA . 15627 1 77 . 1 1 11 11 PRO CB C 13 30.728 0.020 . 1 . . . . 12 PRO CB . 15627 1 78 . 1 1 11 11 PRO CD C 13 49.808 0.020 . 1 . . . . 12 PRO CD . 15627 1 79 . 1 1 11 11 PRO CG C 13 27.362 0.020 . 1 . . . . 12 PRO CG . 15627 1 80 . 1 1 12 12 GLU H H 1 9.229 0.010 . 1 . . . . 13 GLU H . 15627 1 81 . 1 1 12 12 GLU HA H 1 4.249 0.010 . 1 . . . . 13 GLU HA . 15627 1 82 . 1 1 12 12 GLU HB2 H 1 1.881 0.010 . 2 . . . . 13 GLU QB . 15627 1 83 . 1 1 12 12 GLU HB3 H 1 1.881 0.010 . 2 . . . . 13 GLU QB . 15627 1 84 . 1 1 12 12 GLU HG2 H 1 2.084 0.010 . 1 . . . . 13 GLU HG2 . 15627 1 85 . 1 1 12 12 GLU HG3 H 1 2.194 0.010 . 1 . . . . 13 GLU HG3 . 15627 1 86 . 1 1 12 12 GLU C C 13 177.013 0.020 . 1 . . . . 13 GLU C . 15627 1 87 . 1 1 12 12 GLU CA C 13 58.856 0.020 . 1 . . . . 13 GLU CA . 15627 1 88 . 1 1 12 12 GLU CB C 13 27.964 0.020 . 1 . . . . 13 GLU CB . 15627 1 89 . 1 1 12 12 GLU CG C 13 36.092 0.020 . 1 . . . . 13 GLU CG . 15627 1 90 . 1 1 12 12 GLU N N 15 115.400 0.020 . 1 . . . . 13 GLU N . 15627 1 91 . 1 1 13 13 LYS H H 1 7.277 0.010 . 1 . . . . 14 LYS H . 15627 1 92 . 1 1 13 13 LYS HA H 1 4.069 0.010 . 1 . . . . 14 LYS HA . 15627 1 93 . 1 1 13 13 LYS HB2 H 1 1.603 0.010 . 2 . . . . 14 LYS QB . 15627 1 94 . 1 1 13 13 LYS HB3 H 1 1.603 0.010 . 2 . . . . 14 LYS QB . 15627 1 95 . 1 1 13 13 LYS HD2 H 1 1.365 0.010 . 1 . . . . 14 LYS HD2 . 15627 1 96 . 1 1 13 13 LYS HD3 H 1 1.464 0.010 . 1 . . . . 14 LYS HD3 . 15627 1 97 . 1 1 13 13 LYS HE2 H 1 2.766 0.010 . 2 . . . . 14 LYS QE . 15627 1 98 . 1 1 13 13 LYS HE3 H 1 2.766 0.010 . 2 . . . . 14 LYS QE . 15627 1 99 . 1 1 13 13 LYS HG2 H 1 1.132 0.010 . 1 . . . . 14 LYS HG2 . 15627 1 100 . 1 1 13 13 LYS HG3 H 1 1.235 0.010 . 1 . . . . 14 LYS HG3 . 15627 1 101 . 1 1 13 13 LYS C C 13 176.136 0.020 . 1 . . . . 14 LYS C . 15627 1 102 . 1 1 13 13 LYS CA C 13 55.707 0.020 . 1 . . . . 14 LYS CA . 15627 1 103 . 1 1 13 13 LYS CB C 13 33.883 0.020 . 1 . . . . 14 LYS CB . 15627 1 104 . 1 1 13 13 LYS CD C 13 28.607 0.020 . 1 . . . . 14 LYS CD . 15627 1 105 . 1 1 13 13 LYS CE C 13 42.613 0.020 . 1 . . . . 14 LYS CE . 15627 1 106 . 1 1 13 13 LYS CG C 13 25.170 0.020 . 1 . . . . 14 LYS CG . 15627 1 107 . 1 1 13 13 LYS N N 15 115.924 0.020 . 1 . . . . 14 LYS N . 15627 1 108 . 1 1 14 14 ALA H H 1 7.094 0.010 . 1 . . . . 15 ALA H . 15627 1 109 . 1 1 14 14 ALA HA H 1 3.086 0.010 . 1 . . . . 15 ALA HA . 15627 1 110 . 1 1 14 14 ALA HB1 H 1 -0.558 0.010 . 1 . . . . 15 ALA QB . 15627 1 111 . 1 1 14 14 ALA HB2 H 1 -0.558 0.010 . 1 . . . . 15 ALA QB . 15627 1 112 . 1 1 14 14 ALA HB3 H 1 -0.558 0.010 . 1 . . . . 15 ALA QB . 15627 1 113 . 1 1 14 14 ALA C C 13 175.634 0.020 . 1 . . . . 15 ALA C . 15627 1 114 . 1 1 14 14 ALA CA C 13 53.787 0.020 . 1 . . . . 15 ALA CA . 15627 1 115 . 1 1 14 14 ALA CB C 13 16.784 0.020 . 1 . . . . 15 ALA CB . 15627 1 116 . 1 1 14 14 ALA N N 15 123.452 0.020 . 1 . . . . 15 ALA N . 15627 1 117 . 1 1 15 15 PHE H H 1 7.243 0.010 . 1 . . . . 16 PHE H . 15627 1 118 . 1 1 15 15 PHE HA H 1 4.836 0.010 . 1 . . . . 16 PHE HA . 15627 1 119 . 1 1 15 15 PHE HB2 H 1 3.142 0.010 . 1 . . . . 16 PHE HB2 . 15627 1 120 . 1 1 15 15 PHE HB3 H 1 2.670 0.010 . 1 . . . . 16 PHE HB3 . 15627 1 121 . 1 1 15 15 PHE C C 13 173.601 0.020 . 1 . . . . 16 PHE C . 15627 1 122 . 1 1 15 15 PHE CA C 13 53.687 0.020 . 1 . . . . 16 PHE CA . 15627 1 123 . 1 1 15 15 PHE CB C 13 39.914 0.020 . 1 . . . . 16 PHE CB . 15627 1 124 . 1 1 15 15 PHE N N 15 115.336 0.020 . 1 . . . . 16 PHE N . 15627 1 125 . 1 1 16 16 VAL H H 1 8.203 0.010 . 1 . . . . 17 VAL H . 15627 1 126 . 1 1 16 16 VAL HA H 1 4.702 0.010 . 1 . . . . 17 VAL HA . 15627 1 127 . 1 1 16 16 VAL HB H 1 1.886 0.010 . 1 . . . . 17 VAL HB . 15627 1 128 . 1 1 16 16 VAL HG11 H 1 0.689 0.010 . 2 . . . . 17 VAL QG1 . 15627 1 129 . 1 1 16 16 VAL HG12 H 1 0.689 0.010 . 2 . . . . 17 VAL QG1 . 15627 1 130 . 1 1 16 16 VAL HG13 H 1 0.689 0.010 . 2 . . . . 17 VAL QG1 . 15627 1 131 . 1 1 16 16 VAL HG21 H 1 0.807 0.010 . 2 . . . . 17 VAL QG2 . 15627 1 132 . 1 1 16 16 VAL HG22 H 1 0.807 0.010 . 2 . . . . 17 VAL QG2 . 15627 1 133 . 1 1 16 16 VAL HG23 H 1 0.807 0.010 . 2 . . . . 17 VAL QG2 . 15627 1 134 . 1 1 16 16 VAL C C 13 175.416 0.020 . 1 . . . . 17 VAL C . 15627 1 135 . 1 1 16 16 VAL CA C 13 59.374 0.020 . 1 . . . . 17 VAL CA . 15627 1 136 . 1 1 16 16 VAL CB C 13 34.930 0.020 . 1 . . . . 17 VAL CB . 15627 1 137 . 1 1 16 16 VAL CG1 C 13 20.631 0.020 . 1 . . . . 17 VAL CG1 . 15627 1 138 . 1 1 16 16 VAL CG2 C 13 20.933 0.020 . 1 . . . . 17 VAL CG2 . 15627 1 139 . 1 1 16 16 VAL N N 15 121.697 0.020 . 1 . . . . 17 VAL N . 15627 1 140 . 1 1 17 17 PRO HA H 1 4.538 0.010 . 1 . . . . 18 PRO HA . 15627 1 141 . 1 1 17 17 PRO HB2 H 1 0.950 0.010 . 2 . . . . 18 PRO QB . 15627 1 142 . 1 1 17 17 PRO HB3 H 1 0.950 0.010 . 2 . . . . 18 PRO QB . 15627 1 143 . 1 1 17 17 PRO HD2 H 1 4.008 0.010 . 1 . . . . 18 PRO HD2 . 15627 1 144 . 1 1 17 17 PRO HD3 H 1 3.737 0.010 . 1 . . . . 18 PRO HD3 . 15627 1 145 . 1 1 17 17 PRO HG2 H 1 1.886 0.010 . 1 . . . . 18 PRO HG2 . 15627 1 146 . 1 1 17 17 PRO HG3 H 1 2.117 0.010 . 1 . . . . 18 PRO HG3 . 15627 1 147 . 1 1 17 17 PRO C C 13 175.555 0.020 . 1 . . . . 18 PRO C . 15627 1 148 . 1 1 17 17 PRO CA C 13 61.275 0.020 . 1 . . . . 18 PRO CA . 15627 1 149 . 1 1 17 17 PRO CB C 13 32.112 0.020 . 1 . . . . 18 PRO CB . 15627 1 150 . 1 1 17 17 PRO CD C 13 51.175 0.020 . 1 . . . . 18 PRO CD . 15627 1 151 . 1 1 17 17 PRO CG C 13 25.911 0.020 . 1 . . . . 18 PRO CG . 15627 1 152 . 1 1 18 18 GLU H H 1 8.259 0.010 . 1 . . . . 19 GLU H . 15627 1 153 . 1 1 18 18 GLU HA H 1 4.355 0.010 . 1 . . . . 19 GLU HA . 15627 1 154 . 1 1 18 18 GLU HB2 H 1 1.785 0.010 . 2 . . . . 19 GLU QB . 15627 1 155 . 1 1 18 18 GLU HB3 H 1 1.785 0.010 . 2 . . . . 19 GLU QB . 15627 1 156 . 1 1 18 18 GLU HG2 H 1 1.868 0.010 . 2 . . . . 19 GLU QG . 15627 1 157 . 1 1 18 18 GLU HG3 H 1 1.868 0.010 . 2 . . . . 19 GLU QG . 15627 1 158 . 1 1 18 18 GLU C C 13 174.157 0.020 . 1 . . . . 19 GLU C . 15627 1 159 . 1 1 18 18 GLU CA C 13 55.707 0.020 . 1 . . . . 19 GLU CA . 15627 1 160 . 1 1 18 18 GLU CB C 13 33.250 0.020 . 1 . . . . 19 GLU CB . 15627 1 161 . 1 1 18 18 GLU CG C 13 36.484 0.020 . 1 . . . . 19 GLU CG . 15627 1 162 . 1 1 18 18 GLU N N 15 119.972 0.020 . 1 . . . . 19 GLU N . 15627 1 163 . 1 1 19 19 LEU H H 1 8.418 0.010 . 1 . . . . 20 LEU H . 15627 1 164 . 1 1 19 19 LEU HA H 1 4.853 0.010 . 1 . . . . 20 LEU HA . 15627 1 165 . 1 1 19 19 LEU HB2 H 1 0.934 0.010 . 2 . . . . 20 LEU QB . 15627 1 166 . 1 1 19 19 LEU HB3 H 1 0.934 0.010 . 2 . . . . 20 LEU QB . 15627 1 167 . 1 1 19 19 LEU HD11 H 1 -0.341 0.010 . 2 . . . . 20 LEU QD1 . 15627 1 168 . 1 1 19 19 LEU HD12 H 1 -0.341 0.010 . 2 . . . . 20 LEU QD1 . 15627 1 169 . 1 1 19 19 LEU HD13 H 1 -0.341 0.010 . 2 . . . . 20 LEU QD1 . 15627 1 170 . 1 1 19 19 LEU HD21 H 1 -0.288 0.010 . 2 . . . . 20 LEU QD2 . 15627 1 171 . 1 1 19 19 LEU HD22 H 1 -0.288 0.010 . 2 . . . . 20 LEU QD2 . 15627 1 172 . 1 1 19 19 LEU HD23 H 1 -0.288 0.010 . 2 . . . . 20 LEU QD2 . 15627 1 173 . 1 1 19 19 LEU HG H 1 0.628 0.010 . 1 . . . . 20 LEU HG . 15627 1 174 . 1 1 19 19 LEU C C 13 175.376 0.020 . 1 . . . . 20 LEU C . 15627 1 175 . 1 1 19 19 LEU CA C 13 53.557 0.020 . 1 . . . . 20 LEU CA . 15627 1 176 . 1 1 19 19 LEU CB C 13 45.141 0.020 . 1 . . . . 20 LEU CB . 15627 1 177 . 1 1 19 19 LEU CD1 C 13 25.034 0.020 . 1 . . . . 20 LEU CD1 . 15627 1 178 . 1 1 19 19 LEU CD2 C 13 25.062 0.020 . 1 . . . . 20 LEU CD2 . 15627 1 179 . 1 1 19 19 LEU CG C 13 27.240 0.020 . 1 . . . . 20 LEU CG . 15627 1 180 . 1 1 19 19 LEU N N 15 124.960 0.020 . 1 . . . . 20 LEU N . 15627 1 181 . 1 1 20 20 ALA H H 1 8.950 0.010 . 1 . . . . 21 ALA H . 15627 1 182 . 1 1 20 20 ALA HA H 1 4.899 0.010 . 1 . . . . 21 ALA HA . 15627 1 183 . 1 1 20 20 ALA HB1 H 1 1.170 0.010 . 1 . . . . 21 ALA QB . 15627 1 184 . 1 1 20 20 ALA HB2 H 1 1.170 0.010 . 1 . . . . 21 ALA QB . 15627 1 185 . 1 1 20 20 ALA HB3 H 1 1.170 0.010 . 1 . . . . 21 ALA QB . 15627 1 186 . 1 1 20 20 ALA C C 13 175.950 0.020 . 1 . . . . 21 ALA C . 15627 1 187 . 1 1 20 20 ALA CA C 13 51.286 0.020 . 1 . . . . 21 ALA CA . 15627 1 188 . 1 1 20 20 ALA CB C 13 20.366 0.020 . 1 . . . . 21 ALA CB . 15627 1 189 . 1 1 20 20 ALA N N 15 127.160 0.020 . 1 . . . . 21 ALA N . 15627 1 190 . 1 1 21 21 VAL H H 1 9.211 0.010 . 1 . . . . 22 VAL H . 15627 1 191 . 1 1 21 21 VAL HA H 1 4.158 0.010 . 1 . . . . 22 VAL HA . 15627 1 192 . 1 1 21 21 VAL HB H 1 2.150 0.010 . 1 . . . . 22 VAL HB . 15627 1 193 . 1 1 21 21 VAL HG11 H 1 0.650 0.010 . 2 . . . . 22 VAL QG1 . 15627 1 194 . 1 1 21 21 VAL HG12 H 1 0.650 0.010 . 2 . . . . 22 VAL QG1 . 15627 1 195 . 1 1 21 21 VAL HG13 H 1 0.650 0.010 . 2 . . . . 22 VAL QG1 . 15627 1 196 . 1 1 21 21 VAL HG21 H 1 0.897 0.010 . 2 . . . . 22 VAL QG2 . 15627 1 197 . 1 1 21 21 VAL HG22 H 1 0.897 0.010 . 2 . . . . 22 VAL QG2 . 15627 1 198 . 1 1 21 21 VAL HG23 H 1 0.897 0.010 . 2 . . . . 22 VAL QG2 . 15627 1 199 . 1 1 21 21 VAL C C 13 174.576 0.020 . 1 . . . . 22 VAL C . 15627 1 200 . 1 1 21 21 VAL CA C 13 62.829 0.020 . 1 . . . . 22 VAL CA . 15627 1 201 . 1 1 21 21 VAL CB C 13 33.212 0.020 . 1 . . . . 22 VAL CB . 15627 1 202 . 1 1 21 21 VAL CG1 C 13 22.505 0.020 . 1 . . . . 22 VAL CG1 . 15627 1 203 . 1 1 21 21 VAL CG2 C 13 21.219 0.020 . 1 . . . . 22 VAL CG2 . 15627 1 204 . 1 1 21 21 VAL N N 15 127.227 0.020 . 1 . . . . 22 VAL N . 15627 1 205 . 1 1 22 22 ALA H H 1 8.819 0.010 . 1 . . . . 23 ALA H . 15627 1 206 . 1 1 22 22 ALA HA H 1 4.495 0.010 . 1 . . . . 23 ALA HA . 15627 1 207 . 1 1 22 22 ALA HB1 H 1 1.329 0.010 . 1 . . . . 23 ALA QB . 15627 1 208 . 1 1 22 22 ALA HB2 H 1 1.329 0.010 . 1 . . . . 23 ALA QB . 15627 1 209 . 1 1 22 22 ALA HB3 H 1 1.329 0.010 . 1 . . . . 23 ALA QB . 15627 1 210 . 1 1 22 22 ALA C C 13 176.577 0.020 . 1 . . . . 23 ALA C . 15627 1 211 . 1 1 22 22 ALA CA C 13 50.573 0.020 . 1 . . . . 23 ALA CA . 15627 1 212 . 1 1 22 22 ALA CB C 13 22.447 0.020 . 1 . . . . 23 ALA CB . 15627 1 213 . 1 1 22 22 ALA N N 15 134.852 0.020 . 1 . . . . 23 ALA N . 15627 1 214 . 1 1 23 23 ASP H H 1 8.292 0.010 . 1 . . . . 24 ASP H . 15627 1 215 . 1 1 23 23 ASP HA H 1 4.445 0.010 . 1 . . . . 24 ASP HA . 15627 1 216 . 1 1 23 23 ASP HB2 H 1 2.439 0.010 . 1 . . . . 24 ASP HB2 . 15627 1 217 . 1 1 23 23 ASP HB3 H 1 2.597 0.010 . 1 . . . . 24 ASP HB3 . 15627 1 218 . 1 1 23 23 ASP C C 13 177.182 0.020 . 1 . . . . 24 ASP C . 15627 1 219 . 1 1 23 23 ASP CA C 13 57.453 0.020 . 1 . . . . 24 ASP CA . 15627 1 220 . 1 1 23 23 ASP CB C 13 40.615 0.020 . 1 . . . . 24 ASP CB . 15627 1 221 . 1 1 23 23 ASP N N 15 116.715 0.020 . 1 . . . . 24 ASP N . 15627 1 222 . 1 1 24 24 ASP H H 1 8.184 0.010 . 1 . . . . 25 ASP H . 15627 1 223 . 1 1 24 24 ASP HA H 1 4.520 0.010 . 1 . . . . 25 ASP HA . 15627 1 224 . 1 1 24 24 ASP HB2 H 1 2.569 0.010 . 2 . . . . 25 ASP QB . 15627 1 225 . 1 1 24 24 ASP HB3 H 1 2.569 0.010 . 2 . . . . 25 ASP QB . 15627 1 226 . 1 1 24 24 ASP C C 13 176.081 0.020 . 1 . . . . 25 ASP C . 15627 1 227 . 1 1 24 24 ASP CA C 13 53.525 0.020 . 1 . . . . 25 ASP CA . 15627 1 228 . 1 1 24 24 ASP CB C 13 40.425 0.020 . 1 . . . . 25 ASP CB . 15627 1 229 . 1 1 24 24 ASP N N 15 112.162 0.020 . 1 . . . . 25 ASP N . 15627 1 230 . 1 1 25 25 GLY H H 1 7.221 0.010 . 1 . . . . 26 GLY H . 15627 1 231 . 1 1 25 25 GLY HA2 H 1 4.176 0.010 . 1 . . . . 26 GLY HA2 . 15627 1 232 . 1 1 25 25 GLY HA3 H 1 1.940 0.010 . 1 . . . . 26 GLY HA3 . 15627 1 233 . 1 1 25 25 GLY C C 13 170.747 0.020 . 1 . . . . 26 GLY C . 15627 1 234 . 1 1 25 25 GLY CA C 13 44.375 0.020 . 1 . . . . 26 GLY CA . 15627 1 235 . 1 1 25 25 GLY N N 15 112.283 0.020 . 1 . . . . 26 GLY N . 15627 1 236 . 1 1 26 26 VAL H H 1 8.128 0.010 . 1 . . . . 27 VAL H . 15627 1 237 . 1 1 26 26 VAL HA H 1 4.318 0.010 . 1 . . . . 27 VAL HA . 15627 1 238 . 1 1 26 26 VAL HB H 1 1.630 0.010 . 1 . . . . 27 VAL HB . 15627 1 239 . 1 1 26 26 VAL HG11 H 1 0.455 0.010 . 2 . . . . 27 VAL QG1 . 15627 1 240 . 1 1 26 26 VAL HG12 H 1 0.455 0.010 . 2 . . . . 27 VAL QG1 . 15627 1 241 . 1 1 26 26 VAL HG13 H 1 0.455 0.010 . 2 . . . . 27 VAL QG1 . 15627 1 242 . 1 1 26 26 VAL HG21 H 1 0.637 0.010 . 2 . . . . 27 VAL QG2 . 15627 1 243 . 1 1 26 26 VAL HG22 H 1 0.637 0.010 . 2 . . . . 27 VAL QG2 . 15627 1 244 . 1 1 26 26 VAL HG23 H 1 0.637 0.010 . 2 . . . . 27 VAL QG2 . 15627 1 245 . 1 1 26 26 VAL C C 13 174.309 0.020 . 1 . . . . 27 VAL C . 15627 1 246 . 1 1 26 26 VAL CA C 13 61.001 0.020 . 1 . . . . 27 VAL CA . 15627 1 247 . 1 1 26 26 VAL CB C 13 35.018 0.020 . 1 . . . . 27 VAL CB . 15627 1 248 . 1 1 26 26 VAL CG1 C 13 21.358 0.020 . 1 . . . . 27 VAL CG1 . 15627 1 249 . 1 1 26 26 VAL CG2 C 13 21.358 0.020 . 1 . . . . 27 VAL CG2 . 15627 1 250 . 1 1 26 26 VAL N N 15 118.045 0.020 . 1 . . . . 27 VAL N . 15627 1 251 . 1 1 27 27 ASN H H 1 8.915 0.010 . 1 . . . . 28 ASN H . 15627 1 252 . 1 1 27 27 ASN HA H 1 5.166 0.010 . 1 . . . . 28 ASN HA . 15627 1 253 . 1 1 27 27 ASN HB2 H 1 2.503 0.010 . 2 . . . . 28 ASN QB . 15627 1 254 . 1 1 27 27 ASN HB3 H 1 2.503 0.010 . 2 . . . . 28 ASN QB . 15627 1 255 . 1 1 27 27 ASN C C 13 173.987 0.020 . 1 . . . . 28 ASN C . 15627 1 256 . 1 1 27 27 ASN CA C 13 52.303 0.020 . 1 . . . . 28 ASN CA . 15627 1 257 . 1 1 27 27 ASN CB C 13 41.128 0.020 . 1 . . . . 28 ASN CB . 15627 1 258 . 1 1 27 27 ASN N N 15 127.375 0.020 . 1 . . . . 28 ASN N . 15627 1 259 . 1 1 28 28 VAL H H 1 9.423 0.010 . 1 . . . . 29 VAL H . 15627 1 260 . 1 1 28 28 VAL HA H 1 4.245 0.010 . 1 . . . . 29 VAL HA . 15627 1 261 . 1 1 28 28 VAL HB H 1 1.844 0.010 . 1 . . . . 29 VAL HB . 15627 1 262 . 1 1 28 28 VAL HG11 H 1 0.004 0.010 . 2 . . . . 29 VAL QG1 . 15627 1 263 . 1 1 28 28 VAL HG12 H 1 0.004 0.010 . 2 . . . . 29 VAL QG1 . 15627 1 264 . 1 1 28 28 VAL HG13 H 1 0.004 0.010 . 2 . . . . 29 VAL QG1 . 15627 1 265 . 1 1 28 28 VAL HG21 H 1 0.538 0.010 . 2 . . . . 29 VAL QG2 . 15627 1 266 . 1 1 28 28 VAL HG22 H 1 0.538 0.010 . 2 . . . . 29 VAL QG2 . 15627 1 267 . 1 1 28 28 VAL HG23 H 1 0.538 0.010 . 2 . . . . 29 VAL QG2 . 15627 1 268 . 1 1 28 28 VAL C C 13 174.149 0.020 . 1 . . . . 29 VAL C . 15627 1 269 . 1 1 28 28 VAL CA C 13 60.559 0.020 . 1 . . . . 29 VAL CA . 15627 1 270 . 1 1 28 28 VAL CB C 13 33.240 0.020 . 1 . . . . 29 VAL CB . 15627 1 271 . 1 1 28 28 VAL CG1 C 13 21.732 0.020 . 1 . . . . 29 VAL CG1 . 15627 1 272 . 1 1 28 28 VAL CG2 C 13 20.765 0.020 . 1 . . . . 29 VAL CG2 . 15627 1 273 . 1 1 28 28 VAL N N 15 126.398 0.020 . 1 . . . . 29 VAL N . 15627 1 274 . 1 1 29 29 ARG H H 1 8.452 0.010 . 1 . . . . 30 ARG H . 15627 1 275 . 1 1 29 29 ARG HA H 1 4.988 0.010 . 1 . . . . 30 ARG HA . 15627 1 276 . 1 1 29 29 ARG HB2 H 1 1.471 0.010 . 2 . . . . 30 ARG QB . 15627 1 277 . 1 1 29 29 ARG HB3 H 1 1.471 0.010 . 2 . . . . 30 ARG QB . 15627 1 278 . 1 1 29 29 ARG HD2 H 1 2.900 0.010 . 2 . . . . 30 ARG QD . 15627 1 279 . 1 1 29 29 ARG HD3 H 1 2.900 0.010 . 2 . . . . 30 ARG QD . 15627 1 280 . 1 1 29 29 ARG HG2 H 1 1.147 0.010 . 1 . . . . 30 ARG HG2 . 15627 1 281 . 1 1 29 29 ARG HG3 H 1 1.362 0.010 . 1 . . . . 30 ARG HG3 . 15627 1 282 . 1 1 29 29 ARG C C 13 175.606 0.020 . 1 . . . . 30 ARG C . 15627 1 283 . 1 1 29 29 ARG CA C 13 53.948 0.020 . 1 . . . . 30 ARG CA . 15627 1 284 . 1 1 29 29 ARG CB C 13 32.803 0.020 . 1 . . . . 30 ARG CB . 15627 1 285 . 1 1 29 29 ARG CD C 13 43.464 0.020 . 1 . . . . 30 ARG CD . 15627 1 286 . 1 1 29 29 ARG CG C 13 27.540 0.020 . 1 . . . . 30 ARG CG . 15627 1 287 . 1 1 29 29 ARG N N 15 128.020 0.020 . 1 . . . . 30 ARG N . 15627 1 288 . 1 1 30 30 PHE H H 1 8.972 0.010 . 1 . . . . 31 PHE H . 15627 1 289 . 1 1 30 30 PHE HA H 1 4.816 0.010 . 1 . . . . 31 PHE HA . 15627 1 290 . 1 1 30 30 PHE HB2 H 1 2.351 0.010 . 1 . . . . 31 PHE HB2 . 15627 1 291 . 1 1 30 30 PHE HB3 H 1 2.249 0.010 . 1 . . . . 31 PHE HB3 . 15627 1 292 . 1 1 30 30 PHE HD1 H 1 6.285 0.010 . 1 . . . . 31 PHE QD . 15627 1 293 . 1 1 30 30 PHE HD2 H 1 6.285 0.010 . 1 . . . . 31 PHE QD . 15627 1 294 . 1 1 30 30 PHE HE1 H 1 6.008 0.010 . 1 . . . . 31 PHE QE . 15627 1 295 . 1 1 30 30 PHE HE2 H 1 6.008 0.010 . 1 . . . . 31 PHE QE . 15627 1 296 . 1 1 30 30 PHE HZ H 1 6.380 0.010 . 1 . . . . 31 PHE HZ . 15627 1 297 . 1 1 30 30 PHE C C 13 175.618 0.020 . 1 . . . . 31 PHE C . 15627 1 298 . 1 1 30 30 PHE CA C 13 57.181 0.020 . 1 . . . . 31 PHE CA . 15627 1 299 . 1 1 30 30 PHE CB C 13 41.652 0.020 . 1 . . . . 31 PHE CB . 15627 1 300 . 1 1 30 30 PHE CD1 C 13 131.263 0.020 . 1 . . . . 31 PHE CD1 . 15627 1 301 . 1 1 30 30 PHE CD2 C 13 131.263 0.020 . 1 . . . . 31 PHE CD2 . 15627 1 302 . 1 1 30 30 PHE CE1 C 13 131.263 0.020 . 1 . . . . 31 PHE CE1 . 15627 1 303 . 1 1 30 30 PHE CE2 C 13 131.263 0.020 . 1 . . . . 31 PHE CE2 . 15627 1 304 . 1 1 30 30 PHE CZ C 13 128.501 0.020 . 1 . . . . 31 PHE CZ . 15627 1 305 . 1 1 30 30 PHE N N 15 122.475 0.020 . 1 . . . . 31 PHE N . 15627 1 306 . 1 1 31 31 ARG H H 1 8.548 0.010 . 1 . . . . 32 ARG H . 15627 1 307 . 1 1 31 31 ARG HA H 1 4.494 0.010 . 1 . . . . 32 ARG HA . 15627 1 308 . 1 1 31 31 ARG HB2 H 1 1.618 0.010 . 2 . . . . 32 ARG QB . 15627 1 309 . 1 1 31 31 ARG HB3 H 1 1.618 0.010 . 2 . . . . 32 ARG QB . 15627 1 310 . 1 1 31 31 ARG HD2 H 1 3.025 0.010 . 2 . . . . 32 ARG QD . 15627 1 311 . 1 1 31 31 ARG HD3 H 1 3.025 0.010 . 2 . . . . 32 ARG QD . 15627 1 312 . 1 1 31 31 ARG HG2 H 1 1.525 0.010 . 1 . . . . 32 ARG HG2 . 15627 1 313 . 1 1 31 31 ARG HG3 H 1 1.396 0.010 . 1 . . . . 32 ARG HG3 . 15627 1 314 . 1 1 31 31 ARG C C 13 175.644 0.020 . 1 . . . . 32 ARG C . 15627 1 315 . 1 1 31 31 ARG CA C 13 55.601 0.020 . 1 . . . . 32 ARG CA . 15627 1 316 . 1 1 31 31 ARG CB C 13 30.740 0.020 . 1 . . . . 32 ARG CB . 15627 1 317 . 1 1 31 31 ARG CD C 13 43.112 0.020 . 1 . . . . 32 ARG CD . 15627 1 318 . 1 1 31 31 ARG CG C 13 27.351 0.020 . 1 . . . . 32 ARG CG . 15627 1 319 . 1 1 31 31 ARG N N 15 123.807 0.020 . 1 . . . . 32 ARG N . 15627 1 320 . 1 1 32 32 ILE H H 1 7.830 0.010 . 1 . . . . 33 ILE H . 15627 1 321 . 1 1 32 32 ILE HA H 1 4.796 0.010 . 1 . . . . 33 ILE HA . 15627 1 322 . 1 1 32 32 ILE HB H 1 1.301 0.010 . 1 . . . . 33 ILE HB . 15627 1 323 . 1 1 32 32 ILE HD11 H 1 0.369 0.010 . 1 . . . . 33 ILE QD1 . 15627 1 324 . 1 1 32 32 ILE HD12 H 1 0.369 0.010 . 1 . . . . 33 ILE QD1 . 15627 1 325 . 1 1 32 32 ILE HD13 H 1 0.369 0.010 . 1 . . . . 33 ILE QD1 . 15627 1 326 . 1 1 32 32 ILE HG12 H 1 0.665 0.010 . 2 . . . . 33 ILE QG1 . 15627 1 327 . 1 1 32 32 ILE HG13 H 1 0.665 0.010 . 2 . . . . 33 ILE QG1 . 15627 1 328 . 1 1 32 32 ILE HG21 H 1 0.964 0.010 . 1 . . . . 33 ILE QG2 . 15627 1 329 . 1 1 32 32 ILE HG22 H 1 0.964 0.010 . 1 . . . . 33 ILE QG2 . 15627 1 330 . 1 1 32 32 ILE HG23 H 1 0.964 0.010 . 1 . . . . 33 ILE QG2 . 15627 1 331 . 1 1 32 32 ILE C C 13 175.042 0.020 . 1 . . . . 33 ILE C . 15627 1 332 . 1 1 32 32 ILE CA C 13 59.755 0.020 . 1 . . . . 33 ILE CA . 15627 1 333 . 1 1 32 32 ILE CB C 13 39.557 0.020 . 1 . . . . 33 ILE CB . 15627 1 334 . 1 1 32 32 ILE CD1 C 13 15.047 0.020 . 1 . . . . 33 ILE CD1 . 15627 1 335 . 1 1 32 32 ILE CG1 C 13 27.425 0.020 . 1 . . . . 33 ILE CG1 . 15627 1 336 . 1 1 32 32 ILE CG2 C 13 17.838 0.020 . 1 . . . . 33 ILE CG2 . 15627 1 337 . 1 1 32 32 ILE N N 15 128.325 0.020 . 1 . . . . 33 ILE N . 15627 1 338 . 1 1 33 33 ALA H H 1 8.470 0.010 . 1 . . . . 34 ALA H . 15627 1 339 . 1 1 33 33 ALA HA H 1 4.100 0.010 . 1 . . . . 34 ALA HA . 15627 1 340 . 1 1 33 33 ALA HB1 H 1 1.081 0.010 . 1 . . . . 34 ALA QB . 15627 1 341 . 1 1 33 33 ALA HB2 H 1 1.081 0.010 . 1 . . . . 34 ALA QB . 15627 1 342 . 1 1 33 33 ALA HB3 H 1 1.081 0.010 . 1 . . . . 34 ALA QB . 15627 1 343 . 1 1 33 33 ALA C C 13 177.541 0.020 . 1 . . . . 34 ALA C . 15627 1 344 . 1 1 33 33 ALA CA C 13 52.651 0.020 . 1 . . . . 34 ALA CA . 15627 1 345 . 1 1 33 33 ALA CB C 13 19.632 0.020 . 1 . . . . 34 ALA CB . 15627 1 346 . 1 1 33 33 ALA N N 15 132.206 0.020 . 1 . . . . 34 ALA N . 15627 1 347 . 1 1 34 34 ASP H H 1 8.712 0.010 . 1 . . . . 35 ASP H . 15627 1 348 . 1 1 34 34 ASP HA H 1 4.496 0.010 . 1 . . . . 35 ASP HA . 15627 1 349 . 1 1 34 34 ASP HB2 H 1 2.625 0.010 . 2 . . . . 35 ASP QB . 15627 1 350 . 1 1 34 34 ASP HB3 H 1 2.625 0.010 . 2 . . . . 35 ASP QB . 15627 1 351 . 1 1 34 34 ASP C C 13 177.550 0.020 . 1 . . . . 35 ASP C . 15627 1 352 . 1 1 34 34 ASP CA C 13 56.222 0.020 . 1 . . . . 35 ASP CA . 15627 1 353 . 1 1 34 34 ASP CB C 13 40.516 0.020 . 1 . . . . 35 ASP CB . 15627 1 354 . 1 1 34 34 ASP N N 15 123.949 0.020 . 1 . . . . 35 ASP N . 15627 1 355 . 1 1 35 35 GLY H H 1 9.226 0.010 . 1 . . . . 36 GLY H . 15627 1 356 . 1 1 35 35 GLY HA2 H 1 4.142 0.010 . 1 . . . . 36 GLY HA2 . 15627 1 357 . 1 1 35 35 GLY HA3 H 1 3.567 0.010 . 1 . . . . 36 GLY HA3 . 15627 1 358 . 1 1 35 35 GLY C C 13 174.151 0.020 . 1 . . . . 36 GLY C . 15627 1 359 . 1 1 35 35 GLY CA C 13 44.661 0.020 . 1 . . . . 36 GLY CA . 15627 1 360 . 1 1 35 35 GLY N N 15 111.528 0.020 . 1 . . . . 36 GLY N . 15627 1 361 . 1 1 36 36 TYR H H 1 7.924 0.010 . 1 . . . . 37 TYR H . 15627 1 362 . 1 1 36 36 TYR HA H 1 5.178 0.010 . 1 . . . . 37 TYR HA . 15627 1 363 . 1 1 36 36 TYR HB2 H 1 2.815 0.010 . 1 . . . . 37 TYR HB2 . 15627 1 364 . 1 1 36 36 TYR HB3 H 1 2.691 0.010 . 1 . . . . 37 TYR HB3 . 15627 1 365 . 1 1 36 36 TYR HD1 H 1 6.577 0.010 . 1 . . . . 37 TYR QD . 15627 1 366 . 1 1 36 36 TYR HD2 H 1 6.577 0.010 . 1 . . . . 37 TYR QD . 15627 1 367 . 1 1 36 36 TYR HE1 H 1 6.879 0.010 . 1 . . . . 37 TYR QE . 15627 1 368 . 1 1 36 36 TYR HE2 H 1 6.879 0.010 . 1 . . . . 37 TYR QE . 15627 1 369 . 1 1 36 36 TYR C C 13 173.342 0.020 . 1 . . . . 37 TYR C . 15627 1 370 . 1 1 36 36 TYR CA C 13 57.273 0.020 . 1 . . . . 37 TYR CA . 15627 1 371 . 1 1 36 36 TYR CB C 13 41.072 0.020 . 1 . . . . 37 TYR CB . 15627 1 372 . 1 1 36 36 TYR CD1 C 13 133.661 0.020 . 1 . . . . 37 TYR CD1 . 15627 1 373 . 1 1 36 36 TYR CD2 C 13 133.661 0.020 . 1 . . . . 37 TYR CD2 . 15627 1 374 . 1 1 36 36 TYR CE1 C 13 118.305 0.020 . 1 . . . . 37 TYR CE1 . 15627 1 375 . 1 1 36 36 TYR CE2 C 13 118.305 0.020 . 1 . . . . 37 TYR CE2 . 15627 1 376 . 1 1 36 36 TYR N N 15 121.285 0.020 . 1 . . . . 37 TYR N . 15627 1 377 . 1 1 37 37 TYR H H 1 8.751 0.010 . 1 . . . . 38 TYR H . 15627 1 378 . 1 1 37 37 TYR HA H 1 5.264 0.010 . 1 . . . . 38 TYR HA . 15627 1 379 . 1 1 37 37 TYR HB2 H 1 1.831 0.010 . 2 . . . . 38 TYR QB . 15627 1 380 . 1 1 37 37 TYR HB3 H 1 1.831 0.010 . 2 . . . . 38 TYR QB . 15627 1 381 . 1 1 37 37 TYR HD1 H 1 6.073 0.010 . 1 . . . . 38 TYR QD . 15627 1 382 . 1 1 37 37 TYR HD2 H 1 6.073 0.010 . 1 . . . . 38 TYR QD . 15627 1 383 . 1 1 37 37 TYR HE1 H 1 6.269 0.010 . 1 . . . . 38 TYR QE . 15627 1 384 . 1 1 37 37 TYR HE2 H 1 6.269 0.010 . 1 . . . . 38 TYR QE . 15627 1 385 . 1 1 37 37 TYR C C 13 172.821 0.020 . 1 . . . . 38 TYR C . 15627 1 386 . 1 1 37 37 TYR CA C 13 55.795 0.020 . 1 . . . . 38 TYR CA . 15627 1 387 . 1 1 37 37 TYR CB C 13 39.210 0.020 . 1 . . . . 38 TYR CB . 15627 1 388 . 1 1 37 37 TYR CD1 C 13 132.989 0.020 . 1 . . . . 38 TYR CD1 . 15627 1 389 . 1 1 37 37 TYR CD2 C 13 132.989 0.020 . 1 . . . . 38 TYR CD2 . 15627 1 390 . 1 1 37 37 TYR CE1 C 13 117.174 0.020 . 1 . . . . 38 TYR CE1 . 15627 1 391 . 1 1 37 37 TYR CE2 C 13 117.174 0.020 . 1 . . . . 38 TYR CE2 . 15627 1 392 . 1 1 37 37 TYR N N 15 114.496 0.020 . 1 . . . . 38 TYR N . 15627 1 393 . 1 1 38 38 MET H H 1 8.262 0.010 . 1 . . . . 39 MET H . 15627 1 394 . 1 1 38 38 MET HA H 1 4.248 0.010 . 1 . . . . 39 MET HA . 15627 1 395 . 1 1 38 38 MET HB2 H 1 1.290 0.010 . 2 . . . . 39 MET QB . 15627 1 396 . 1 1 38 38 MET HB3 H 1 1.290 0.010 . 2 . . . . 39 MET QB . 15627 1 397 . 1 1 38 38 MET HG2 H 1 1.630 0.010 . 2 . . . . 39 MET QG . 15627 1 398 . 1 1 38 38 MET HG3 H 1 1.630 0.010 . 2 . . . . 39 MET QG . 15627 1 399 . 1 1 38 38 MET C C 13 175.588 0.020 . 1 . . . . 39 MET C . 15627 1 400 . 1 1 38 38 MET CA C 13 54.139 0.020 . 1 . . . . 39 MET CA . 15627 1 401 . 1 1 38 38 MET CB C 13 38.006 0.020 . 1 . . . . 39 MET CB . 15627 1 402 . 1 1 38 38 MET CG C 13 38.581 0.020 . 1 . . . . 39 MET CG . 15627 1 403 . 1 1 38 38 MET N N 15 116.051 0.020 . 1 . . . . 39 MET N . 15627 1 404 . 1 1 39 39 TYR H H 1 7.261 0.010 . 1 . . . . 40 TYR H . 15627 1 405 . 1 1 39 39 TYR HA H 1 4.347 0.010 . 1 . . . . 40 TYR HA . 15627 1 406 . 1 1 39 39 TYR HB2 H 1 2.995 0.010 . 1 . . . . 40 TYR HB2 . 15627 1 407 . 1 1 39 39 TYR HB3 H 1 2.144 0.010 . 1 . . . . 40 TYR HB3 . 15627 1 408 . 1 1 39 39 TYR HD1 H 1 6.509 0.010 . 1 . . . . 40 TYR QD . 15627 1 409 . 1 1 39 39 TYR HD2 H 1 6.509 0.010 . 1 . . . . 40 TYR QD . 15627 1 410 . 1 1 39 39 TYR HE1 H 1 6.791 0.010 . 1 . . . . 40 TYR QE . 15627 1 411 . 1 1 39 39 TYR HE2 H 1 6.791 0.010 . 1 . . . . 40 TYR QE . 15627 1 412 . 1 1 39 39 TYR C C 13 176.276 0.020 . 1 . . . . 40 TYR C . 15627 1 413 . 1 1 39 39 TYR CA C 13 58.152 0.020 . 1 . . . . 40 TYR CA . 15627 1 414 . 1 1 39 39 TYR CB C 13 38.335 0.020 . 1 . . . . 40 TYR CB . 15627 1 415 . 1 1 39 39 TYR CD1 C 13 131.982 0.020 . 1 . . . . 40 TYR CD1 . 15627 1 416 . 1 1 39 39 TYR CD2 C 13 131.982 0.020 . 1 . . . . 40 TYR CD2 . 15627 1 417 . 1 1 39 39 TYR CE1 C 13 118.105 0.020 . 1 . . . . 40 TYR CE1 . 15627 1 418 . 1 1 39 39 TYR CE2 C 13 118.105 0.020 . 1 . . . . 40 TYR CE2 . 15627 1 419 . 1 1 39 39 TYR N N 15 119.182 0.020 . 1 . . . . 40 TYR N . 15627 1 420 . 1 1 40 40 GLN H H 1 8.221 0.010 . 1 . . . . 41 GLN H . 15627 1 421 . 1 1 40 40 GLN HA H 1 3.506 0.010 . 1 . . . . 41 GLN HA . 15627 1 422 . 1 1 40 40 GLN HB2 H 1 1.159 0.010 . 1 . . . . 41 GLN HB2 . 15627 1 423 . 1 1 40 40 GLN HB3 H 1 1.585 0.010 . 1 . . . . 41 GLN HB3 . 15627 1 424 . 1 1 40 40 GLN HG2 H 1 1.042 0.010 . 2 . . . . 41 GLN QG . 15627 1 425 . 1 1 40 40 GLN HG3 H 1 1.042 0.010 . 2 . . . . 41 GLN QG . 15627 1 426 . 1 1 40 40 GLN C C 13 176.040 0.020 . 1 . . . . 41 GLN C . 15627 1 427 . 1 1 40 40 GLN CA C 13 60.068 0.020 . 1 . . . . 41 GLN CA . 15627 1 428 . 1 1 40 40 GLN CB C 13 30.827 0.020 . 1 . . . . 41 GLN CB . 15627 1 429 . 1 1 40 40 GLN CG C 13 33.800 0.020 . 1 . . . . 41 GLN CG . 15627 1 430 . 1 1 40 40 GLN N N 15 129.553 0.020 . 1 . . . . 41 GLN N . 15627 1 431 . 1 1 41 41 ALA H H 1 9.204 0.010 . 1 . . . . 42 ALA H . 15627 1 432 . 1 1 41 41 ALA HA H 1 3.928 0.010 . 1 . . . . 42 ALA HA . 15627 1 433 . 1 1 41 41 ALA HB1 H 1 1.204 0.010 . 1 . . . . 42 ALA QB . 15627 1 434 . 1 1 41 41 ALA HB2 H 1 1.204 0.010 . 1 . . . . 42 ALA QB . 15627 1 435 . 1 1 41 41 ALA HB3 H 1 1.204 0.010 . 1 . . . . 42 ALA QB . 15627 1 436 . 1 1 41 41 ALA C C 13 177.667 0.020 . 1 . . . . 42 ALA C . 15627 1 437 . 1 1 41 41 ALA CA C 13 53.547 0.020 . 1 . . . . 42 ALA CA . 15627 1 438 . 1 1 41 41 ALA CB C 13 18.733 0.020 . 1 . . . . 42 ALA CB . 15627 1 439 . 1 1 41 41 ALA N N 15 116.411 0.020 . 1 . . . . 42 ALA N . 15627 1 440 . 1 1 42 42 LYS H H 1 6.757 0.010 . 1 . . . . 43 LYS H . 15627 1 441 . 1 1 42 42 LYS HA H 1 4.273 0.010 . 1 . . . . 43 LYS HA . 15627 1 442 . 1 1 42 42 LYS HB2 H 1 1.574 0.010 . 2 . . . . 43 LYS QB . 15627 1 443 . 1 1 42 42 LYS HB3 H 1 1.574 0.010 . 2 . . . . 43 LYS QB . 15627 1 444 . 1 1 42 42 LYS C C 13 175.149 0.020 . 1 . . . . 43 LYS C . 15627 1 445 . 1 1 42 42 LYS CA C 13 53.277 0.020 . 1 . . . . 43 LYS CA . 15627 1 446 . 1 1 42 42 LYS CB C 13 33.085 0.020 . 1 . . . . 43 LYS CB . 15627 1 447 . 1 1 42 42 LYS N N 15 114.196 0.020 . 1 . . . . 43 LYS N . 15627 1 448 . 1 1 43 43 ILE H H 1 6.907 0.010 . 1 . . . . 44 ILE H . 15627 1 449 . 1 1 43 43 ILE HA H 1 4.854 0.010 . 1 . . . . 44 ILE HA . 15627 1 450 . 1 1 43 43 ILE HB H 1 2.013 0.010 . 1 . . . . 44 ILE HB . 15627 1 451 . 1 1 43 43 ILE HD11 H 1 0.681 0.010 . 1 . . . . 44 ILE QD1 . 15627 1 452 . 1 1 43 43 ILE HD12 H 1 0.681 0.010 . 1 . . . . 44 ILE QD1 . 15627 1 453 . 1 1 43 43 ILE HD13 H 1 0.681 0.010 . 1 . . . . 44 ILE QD1 . 15627 1 454 . 1 1 43 43 ILE HG12 H 1 0.608 0.010 . 2 . . . . 44 ILE QG1 . 15627 1 455 . 1 1 43 43 ILE HG13 H 1 0.608 0.010 . 2 . . . . 44 ILE QG1 . 15627 1 456 . 1 1 43 43 ILE HG21 H 1 1.001 0.010 . 1 . . . . 44 ILE QG2 . 15627 1 457 . 1 1 43 43 ILE HG22 H 1 1.001 0.010 . 1 . . . . 44 ILE QG2 . 15627 1 458 . 1 1 43 43 ILE HG23 H 1 1.001 0.010 . 1 . . . . 44 ILE QG2 . 15627 1 459 . 1 1 43 43 ILE C C 13 175.416 0.020 . 1 . . . . 44 ILE C . 15627 1 460 . 1 1 43 43 ILE CA C 13 62.232 0.020 . 1 . . . . 44 ILE CA . 15627 1 461 . 1 1 43 43 ILE CB C 13 38.684 0.020 . 1 . . . . 44 ILE CB . 15627 1 462 . 1 1 43 43 ILE CD1 C 13 14.027 0.020 . 1 . . . . 44 ILE CD1 . 15627 1 463 . 1 1 43 43 ILE CG1 C 13 27.574 0.020 . 1 . . . . 44 ILE CG1 . 15627 1 464 . 1 1 43 43 ILE CG2 C 13 16.820 0.020 . 1 . . . . 44 ILE CG2 . 15627 1 465 . 1 1 43 43 ILE N N 15 120.365 0.020 . 1 . . . . 44 ILE N . 15627 1 466 . 1 1 44 44 VAL H H 1 8.976 0.010 . 1 . . . . 45 VAL H . 15627 1 467 . 1 1 44 44 VAL HA H 1 4.460 0.010 . 1 . . . . 45 VAL HA . 15627 1 468 . 1 1 44 44 VAL HB H 1 1.843 0.010 . 1 . . . . 45 VAL HB . 15627 1 469 . 1 1 44 44 VAL HG11 H 1 0.771 0.010 . 2 . . . . 45 VAL QG1 . 15627 1 470 . 1 1 44 44 VAL HG12 H 1 0.771 0.010 . 2 . . . . 45 VAL QG1 . 15627 1 471 . 1 1 44 44 VAL HG13 H 1 0.771 0.010 . 2 . . . . 45 VAL QG1 . 15627 1 472 . 1 1 44 44 VAL HG21 H 1 0.864 0.010 . 2 . . . . 45 VAL QG2 . 15627 1 473 . 1 1 44 44 VAL HG22 H 1 0.864 0.010 . 2 . . . . 45 VAL QG2 . 15627 1 474 . 1 1 44 44 VAL HG23 H 1 0.864 0.010 . 2 . . . . 45 VAL QG2 . 15627 1 475 . 1 1 44 44 VAL C C 13 174.068 0.020 . 1 . . . . 45 VAL C . 15627 1 476 . 1 1 44 44 VAL CA C 13 61.061 0.020 . 1 . . . . 45 VAL CA . 15627 1 477 . 1 1 44 44 VAL CB C 13 36.946 0.020 . 1 . . . . 45 VAL CB . 15627 1 478 . 1 1 44 44 VAL CG1 C 13 20.843 0.020 . 1 . . . . 45 VAL CG1 . 15627 1 479 . 1 1 44 44 VAL CG2 C 13 21.261 0.020 . 1 . . . . 45 VAL CG2 . 15627 1 480 . 1 1 44 44 VAL N N 15 128.434 0.020 . 1 . . . . 45 VAL N . 15627 1 481 . 1 1 45 45 GLY H H 1 8.870 0.010 . 1 . . . . 46 GLY H . 15627 1 482 . 1 1 45 45 GLY HA2 H 1 5.112 0.010 . 1 . . . . 46 GLY HA2 . 15627 1 483 . 1 1 45 45 GLY HA3 H 1 2.664 0.010 . 1 . . . . 46 GLY HA3 . 15627 1 484 . 1 1 45 45 GLY C C 13 171.906 0.020 . 1 . . . . 46 GLY C . 15627 1 485 . 1 1 45 45 GLY CA C 13 44.057 0.020 . 1 . . . . 46 GLY CA . 15627 1 486 . 1 1 45 45 GLY N N 15 111.830 0.020 . 1 . . . . 46 GLY N . 15627 1 487 . 1 1 46 46 LYS H H 1 8.510 0.010 . 1 . . . . 47 LYS H . 15627 1 488 . 1 1 46 46 LYS HA H 1 4.560 0.010 . 1 . . . . 47 LYS HA . 15627 1 489 . 1 1 46 46 LYS HB2 H 1 1.737 0.010 . 2 . . . . 47 LYS QB . 15627 1 490 . 1 1 46 46 LYS HB3 H 1 1.737 0.010 . 2 . . . . 47 LYS QB . 15627 1 491 . 1 1 46 46 LYS HD2 H 1 1.576 0.010 . 2 . . . . 47 LYS QD . 15627 1 492 . 1 1 46 46 LYS HD3 H 1 1.576 0.010 . 2 . . . . 47 LYS QD . 15627 1 493 . 1 1 46 46 LYS HE2 H 1 2.741 0.010 . 2 . . . . 47 LYS QE . 15627 1 494 . 1 1 46 46 LYS HE3 H 1 2.741 0.010 . 2 . . . . 47 LYS QE . 15627 1 495 . 1 1 46 46 LYS HG2 H 1 1.242 0.010 . 2 . . . . 47 LYS QG . 15627 1 496 . 1 1 46 46 LYS HG3 H 1 1.242 0.010 . 2 . . . . 47 LYS QG . 15627 1 497 . 1 1 46 46 LYS C C 13 174.729 0.020 . 1 . . . . 47 LYS C . 15627 1 498 . 1 1 46 46 LYS CA C 13 55.091 0.020 . 1 . . . . 47 LYS CA . 15627 1 499 . 1 1 46 46 LYS CB C 13 36.205 0.020 . 1 . . . . 47 LYS CB . 15627 1 500 . 1 1 46 46 LYS CD C 13 29.079 0.020 . 1 . . . . 47 LYS CD . 15627 1 501 . 1 1 46 46 LYS CE C 13 41.813 0.020 . 1 . . . . 47 LYS CE . 15627 1 502 . 1 1 46 46 LYS CG C 13 24.405 0.020 . 1 . . . . 47 LYS CG . 15627 1 503 . 1 1 46 46 LYS N N 15 123.602 0.020 . 1 . . . . 47 LYS N . 15627 1 504 . 1 1 47 47 THR H H 1 8.619 0.010 . 1 . . . . 48 THR H . 15627 1 505 . 1 1 47 47 THR HA H 1 5.563 0.010 . 1 . . . . 48 THR HA . 15627 1 506 . 1 1 47 47 THR HB H 1 4.176 0.010 . 1 . . . . 48 THR HB . 15627 1 507 . 1 1 47 47 THR HG21 H 1 0.906 0.010 . 1 . . . . 48 THR QG2 . 15627 1 508 . 1 1 47 47 THR HG22 H 1 0.906 0.010 . 1 . . . . 48 THR QG2 . 15627 1 509 . 1 1 47 47 THR HG23 H 1 0.906 0.010 . 1 . . . . 48 THR QG2 . 15627 1 510 . 1 1 47 47 THR C C 13 174.340 0.020 . 1 . . . . 48 THR C . 15627 1 511 . 1 1 47 47 THR CA C 13 59.199 0.020 . 1 . . . . 48 THR CA . 15627 1 512 . 1 1 47 47 THR CB C 13 73.691 0.020 . 1 . . . . 48 THR CB . 15627 1 513 . 1 1 47 47 THR CG2 C 13 22.034 0.020 . 1 . . . . 48 THR CG2 . 15627 1 514 . 1 1 47 47 THR N N 15 111.423 0.020 . 1 . . . . 48 THR N . 15627 1 515 . 1 1 48 48 ASN H H 1 8.410 0.010 . 1 . . . . 49 ASN H . 15627 1 516 . 1 1 48 48 ASN HA H 1 4.486 0.010 . 1 . . . . 49 ASN HA . 15627 1 517 . 1 1 48 48 ASN HB2 H 1 2.446 0.010 . 1 . . . . 49 ASN HB2 . 15627 1 518 . 1 1 48 48 ASN HB3 H 1 2.667 0.010 . 1 . . . . 49 ASN HB3 . 15627 1 519 . 1 1 48 48 ASN C C 13 174.258 0.020 . 1 . . . . 49 ASN C . 15627 1 520 . 1 1 48 48 ASN CA C 13 51.080 0.020 . 1 . . . . 49 ASN CA . 15627 1 521 . 1 1 48 48 ASN CB C 13 40.954 0.020 . 1 . . . . 49 ASN CB . 15627 1 522 . 1 1 48 48 ASN N N 15 118.402 0.020 . 1 . . . . 49 ASN N . 15627 1 523 . 1 1 49 49 PRO HA H 1 4.598 0.010 . 1 . . . . 50 PRO HA . 15627 1 524 . 1 1 49 49 PRO HB2 H 1 2.311 0.010 . 2 . . . . 50 PRO QB . 15627 1 525 . 1 1 49 49 PRO HB3 H 1 2.311 0.010 . 2 . . . . 50 PRO QB . 15627 1 526 . 1 1 49 49 PRO HD2 H 1 3.526 0.010 . 1 . . . . 50 PRO HD2 . 15627 1 527 . 1 1 49 49 PRO HD3 H 1 3.577 0.010 . 1 . . . . 50 PRO HD3 . 15627 1 528 . 1 1 49 49 PRO HG2 H 1 1.708 0.010 . 1 . . . . 50 PRO HG2 . 15627 1 529 . 1 1 49 49 PRO HG3 H 1 1.784 0.010 . 1 . . . . 50 PRO HG3 . 15627 1 530 . 1 1 49 49 PRO C C 13 174.996 0.020 . 1 . . . . 50 PRO C . 15627 1 531 . 1 1 49 49 PRO CA C 13 63.305 0.020 . 1 . . . . 50 PRO CA . 15627 1 532 . 1 1 49 49 PRO CB C 13 34.801 0.020 . 1 . . . . 50 PRO CB . 15627 1 533 . 1 1 49 49 PRO CD C 13 50.735 0.020 . 1 . . . . 50 PRO CD . 15627 1 534 . 1 1 49 49 PRO CG C 13 25.401 0.020 . 1 . . . . 50 PRO CG . 15627 1 535 . 1 1 50 50 ALA H H 1 8.372 0.010 . 1 . . . . 51 ALA H . 15627 1 536 . 1 1 50 50 ALA HA H 1 4.183 0.010 . 1 . . . . 51 ALA HA . 15627 1 537 . 1 1 50 50 ALA HB1 H 1 1.228 0.010 . 1 . . . . 51 ALA QB . 15627 1 538 . 1 1 50 50 ALA HB2 H 1 1.228 0.010 . 1 . . . . 51 ALA QB . 15627 1 539 . 1 1 50 50 ALA HB3 H 1 1.228 0.010 . 1 . . . . 51 ALA QB . 15627 1 540 . 1 1 50 50 ALA C C 13 177.373 0.020 . 1 . . . . 51 ALA C . 15627 1 541 . 1 1 50 50 ALA CA C 13 52.735 0.020 . 1 . . . . 51 ALA CA . 15627 1 542 . 1 1 50 50 ALA CB C 13 20.135 0.020 . 1 . . . . 51 ALA CB . 15627 1 543 . 1 1 50 50 ALA N N 15 123.230 0.020 . 1 . . . . 51 ALA N . 15627 1 544 . 1 1 51 51 ASP H H 1 8.339 0.010 . 1 . . . . 52 ASP H . 15627 1 545 . 1 1 51 51 ASP HA H 1 4.199 0.010 . 1 . . . . 52 ASP HA . 15627 1 546 . 1 1 51 51 ASP HB2 H 1 2.688 0.010 . 1 . . . . 52 ASP HB2 . 15627 1 547 . 1 1 51 51 ASP HB3 H 1 2.557 0.010 . 1 . . . . 52 ASP HB3 . 15627 1 548 . 1 1 51 51 ASP C C 13 175.301 0.020 . 1 . . . . 52 ASP C . 15627 1 549 . 1 1 51 51 ASP CA C 13 55.752 0.020 . 1 . . . . 52 ASP CA . 15627 1 550 . 1 1 51 51 ASP CB C 13 37.898 0.020 . 1 . . . . 52 ASP CB . 15627 1 551 . 1 1 51 51 ASP N N 15 113.618 0.020 . 1 . . . . 52 ASP N . 15627 1 552 . 1 1 52 52 LEU H H 1 6.874 0.010 . 1 . . . . 53 LEU H . 15627 1 553 . 1 1 52 52 LEU HA H 1 3.815 0.010 . 1 . . . . 53 LEU HA . 15627 1 554 . 1 1 52 52 LEU HB2 H 1 0.892 0.010 . 2 . . . . 53 LEU QB . 15627 1 555 . 1 1 52 52 LEU HB3 H 1 0.892 0.010 . 2 . . . . 53 LEU QB . 15627 1 556 . 1 1 52 52 LEU HD11 H 1 -0.011 0.010 . 2 . . . . 53 LEU QD1 . 15627 1 557 . 1 1 52 52 LEU HD12 H 1 -0.011 0.010 . 2 . . . . 53 LEU QD1 . 15627 1 558 . 1 1 52 52 LEU HD13 H 1 -0.011 0.010 . 2 . . . . 53 LEU QD1 . 15627 1 559 . 1 1 52 52 LEU HD21 H 1 0.264 0.010 . 2 . . . . 53 LEU QD2 . 15627 1 560 . 1 1 52 52 LEU HD22 H 1 0.264 0.010 . 2 . . . . 53 LEU QD2 . 15627 1 561 . 1 1 52 52 LEU HD23 H 1 0.264 0.010 . 2 . . . . 53 LEU QD2 . 15627 1 562 . 1 1 52 52 LEU HG H 1 1.191 0.010 . 1 . . . . 53 LEU HG . 15627 1 563 . 1 1 52 52 LEU C C 13 177.728 0.020 . 1 . . . . 53 LEU C . 15627 1 564 . 1 1 52 52 LEU CA C 13 56.842 0.020 . 1 . . . . 53 LEU CA . 15627 1 565 . 1 1 52 52 LEU CB C 13 42.351 0.020 . 1 . . . . 53 LEU CB . 15627 1 566 . 1 1 52 52 LEU CD1 C 13 25.055 0.020 . 1 . . . . 53 LEU CD1 . 15627 1 567 . 1 1 52 52 LEU CD2 C 13 21.829 0.020 . 1 . . . . 53 LEU CD2 . 15627 1 568 . 1 1 52 52 LEU CG C 13 25.762 0.020 . 1 . . . . 53 LEU CG . 15627 1 569 . 1 1 52 52 LEU N N 15 115.700 0.020 . 1 . . . . 53 LEU N . 15627 1 570 . 1 1 53 53 LEU H H 1 8.548 0.010 . 1 . . . . 54 LEU H . 15627 1 571 . 1 1 53 53 LEU HA H 1 4.808 0.010 . 1 . . . . 54 LEU HA . 15627 1 572 . 1 1 53 53 LEU HB2 H 1 1.682 0.010 . 1 . . . . 54 LEU HB2 . 15627 1 573 . 1 1 53 53 LEU HB3 H 1 1.273 0.010 . 1 . . . . 54 LEU HB3 . 15627 1 574 . 1 1 53 53 LEU HD11 H 1 -0.010 0.010 . 2 . . . . 54 LEU QD1 . 15627 1 575 . 1 1 53 53 LEU HD12 H 1 -0.010 0.010 . 2 . . . . 54 LEU QD1 . 15627 1 576 . 1 1 53 53 LEU HD13 H 1 -0.010 0.010 . 2 . . . . 54 LEU QD1 . 15627 1 577 . 1 1 53 53 LEU HD21 H 1 0.394 0.010 . 2 . . . . 54 LEU QD2 . 15627 1 578 . 1 1 53 53 LEU HD22 H 1 0.394 0.010 . 2 . . . . 54 LEU QD2 . 15627 1 579 . 1 1 53 53 LEU HD23 H 1 0.394 0.010 . 2 . . . . 54 LEU QD2 . 15627 1 580 . 1 1 53 53 LEU HG H 1 1.343 0.010 . 1 . . . . 54 LEU HG . 15627 1 581 . 1 1 53 53 LEU C C 13 178.019 0.020 . 1 . . . . 54 LEU C . 15627 1 582 . 1 1 53 53 LEU CA C 13 53.389 0.020 . 1 . . . . 54 LEU CA . 15627 1 583 . 1 1 53 53 LEU CB C 13 42.588 0.020 . 1 . . . . 54 LEU CB . 15627 1 584 . 1 1 53 53 LEU CD1 C 13 23.741 0.020 . 1 . . . . 54 LEU CD1 . 15627 1 585 . 1 1 53 53 LEU CD2 C 13 21.032 0.020 . 1 . . . . 54 LEU CD2 . 15627 1 586 . 1 1 53 53 LEU CG C 13 25.883 0.020 . 1 . . . . 54 LEU CG . 15627 1 587 . 1 1 53 53 LEU N N 15 117.662 0.020 . 1 . . . . 54 LEU N . 15627 1 588 . 1 1 54 54 GLY H H 1 8.736 0.010 . 1 . . . . 55 GLY H . 15627 1 589 . 1 1 54 54 GLY HA2 H 1 4.236 0.010 . 1 . . . . 55 GLY HA2 . 15627 1 590 . 1 1 54 54 GLY HA3 H 1 3.447 0.010 . 1 . . . . 55 GLY HA3 . 15627 1 591 . 1 1 54 54 GLY C C 13 172.933 0.020 . 1 . . . . 55 GLY C . 15627 1 592 . 1 1 54 54 GLY CA C 13 42.675 0.020 . 1 . . . . 55 GLY CA . 15627 1 593 . 1 1 54 54 GLY N N 15 109.049 0.020 . 1 . . . . 55 GLY N . 15627 1 594 . 1 1 55 55 GLN H H 1 8.156 0.010 . 1 . . . . 56 GLN H . 15627 1 595 . 1 1 55 55 GLN HA H 1 4.297 0.010 . 1 . . . . 56 GLN HA . 15627 1 596 . 1 1 55 55 GLN HB2 H 1 1.881 0.010 . 2 . . . . 56 GLN QB . 15627 1 597 . 1 1 55 55 GLN HB3 H 1 1.881 0.010 . 2 . . . . 56 GLN QB . 15627 1 598 . 1 1 55 55 GLN HG2 H 1 2.322 0.010 . 2 . . . . 56 GLN QG . 15627 1 599 . 1 1 55 55 GLN HG3 H 1 2.322 0.010 . 2 . . . . 56 GLN QG . 15627 1 600 . 1 1 55 55 GLN C C 13 174.233 0.020 . 1 . . . . 56 GLN C . 15627 1 601 . 1 1 55 55 GLN CA C 13 53.699 0.020 . 1 . . . . 56 GLN CA . 15627 1 602 . 1 1 55 55 GLN CB C 13 28.383 0.020 . 1 . . . . 56 GLN CB . 15627 1 603 . 1 1 55 55 GLN CG C 13 33.584 0.020 . 1 . . . . 56 GLN CG . 15627 1 604 . 1 1 55 55 GLN N N 15 120.527 0.020 . 1 . . . . 56 GLN N . 15627 1 605 . 1 1 56 56 PRO HA H 1 4.387 0.010 . 1 . . . . 57 PRO HA . 15627 1 606 . 1 1 56 56 PRO HB2 H 1 0.461 0.010 . 1 . . . . 57 PRO HB2 . 15627 1 607 . 1 1 56 56 PRO HB3 H 1 0.318 0.010 . 1 . . . . 57 PRO HB3 . 15627 1 608 . 1 1 56 56 PRO HD2 H 1 3.669 0.010 . 2 . . . . 57 PRO QD . 15627 1 609 . 1 1 56 56 PRO HD3 H 1 3.669 0.010 . 2 . . . . 57 PRO QD . 15627 1 610 . 1 1 56 56 PRO HG2 H 1 1.667 0.010 . 2 . . . . 57 PRO QG . 15627 1 611 . 1 1 56 56 PRO HG3 H 1 1.667 0.010 . 2 . . . . 57 PRO QG . 15627 1 612 . 1 1 56 56 PRO C C 13 176.881 0.020 . 1 . . . . 57 PRO C . 15627 1 613 . 1 1 56 56 PRO CA C 13 61.724 0.020 . 1 . . . . 57 PRO CA . 15627 1 614 . 1 1 56 56 PRO CB C 13 31.762 0.020 . 1 . . . . 57 PRO CB . 15627 1 615 . 1 1 56 56 PRO CD C 13 50.550 0.020 . 1 . . . . 57 PRO CD . 15627 1 616 . 1 1 56 56 PRO CG C 13 26.985 0.020 . 1 . . . . 57 PRO CG . 15627 1 617 . 1 1 57 57 SER H H 1 8.265 0.010 . 1 . . . . 58 SER H . 15627 1 618 . 1 1 57 57 SER HA H 1 4.496 0.010 . 1 . . . . 58 SER HA . 15627 1 619 . 1 1 57 57 SER HB2 H 1 3.566 0.010 . 1 . . . . 58 SER HB2 . 15627 1 620 . 1 1 57 57 SER HB3 H 1 3.520 0.010 . 1 . . . . 58 SER HB3 . 15627 1 621 . 1 1 57 57 SER C C 13 173.526 0.020 . 1 . . . . 58 SER C . 15627 1 622 . 1 1 57 57 SER CA C 13 57.045 0.020 . 1 . . . . 58 SER CA . 15627 1 623 . 1 1 57 57 SER CB C 13 64.623 0.020 . 1 . . . . 58 SER CB . 15627 1 624 . 1 1 57 57 SER N N 15 114.495 0.020 . 1 . . . . 58 SER N . 15627 1 625 . 1 1 58 58 PHE H H 1 8.722 0.010 . 1 . . . . 59 PHE H . 15627 1 626 . 1 1 58 58 PHE HA H 1 4.806 0.010 . 1 . . . . 59 PHE HA . 15627 1 627 . 1 1 58 58 PHE HB2 H 1 3.465 0.010 . 1 . . . . 59 PHE HB2 . 15627 1 628 . 1 1 58 58 PHE HB3 H 1 2.590 0.010 . 1 . . . . 59 PHE HB3 . 15627 1 629 . 1 1 58 58 PHE HD1 H 1 7.144 0.010 . 1 . . . . 59 PHE QD . 15627 1 630 . 1 1 58 58 PHE HD2 H 1 7.144 0.010 . 1 . . . . 59 PHE QD . 15627 1 631 . 1 1 58 58 PHE C C 13 177.095 0.020 . 1 . . . . 59 PHE C . 15627 1 632 . 1 1 58 58 PHE CA C 13 57.977 0.020 . 1 . . . . 59 PHE CA . 15627 1 633 . 1 1 58 58 PHE CB C 13 42.259 0.020 . 1 . . . . 59 PHE CB . 15627 1 634 . 1 1 58 58 PHE CD1 C 13 131.472 0.020 . 1 . . . . 59 PHE CD1 . 15627 1 635 . 1 1 58 58 PHE CD2 C 13 131.472 0.020 . 1 . . . . 59 PHE CD2 . 15627 1 636 . 1 1 58 58 PHE N N 15 124.223 0.020 . 1 . . . . 59 PHE N . 15627 1 637 . 1 1 59 59 SER H H 1 8.501 0.010 . 1 . . . . 60 SER H . 15627 1 638 . 1 1 59 59 SER HA H 1 4.369 0.010 . 1 . . . . 60 SER HA . 15627 1 639 . 1 1 59 59 SER HB2 H 1 3.962 0.010 . 2 . . . . 60 SER QB . 15627 1 640 . 1 1 59 59 SER HB3 H 1 3.962 0.010 . 2 . . . . 60 SER QB . 15627 1 641 . 1 1 59 59 SER C C 13 175.781 0.020 . 1 . . . . 60 SER C . 15627 1 642 . 1 1 59 59 SER CA C 13 58.363 0.020 . 1 . . . . 60 SER CA . 15627 1 643 . 1 1 59 59 SER CB C 13 63.564 0.020 . 1 . . . . 60 SER CB . 15627 1 644 . 1 1 59 59 SER N N 15 118.063 0.020 . 1 . . . . 60 SER N . 15627 1 645 . 1 1 60 60 LYS H H 1 8.856 0.010 . 1 . . . . 61 LYS H . 15627 1 646 . 1 1 60 60 LYS HA H 1 4.132 0.010 . 1 . . . . 61 LYS HA . 15627 1 647 . 1 1 60 60 LYS HB2 H 1 1.810 0.010 . 2 . . . . 61 LYS QB . 15627 1 648 . 1 1 60 60 LYS HB3 H 1 1.810 0.010 . 2 . . . . 61 LYS QB . 15627 1 649 . 1 1 60 60 LYS HD2 H 1 1.615 0.010 . 1 . . . . 61 LYS HD2 . 15627 1 650 . 1 1 60 60 LYS HD3 H 1 1.663 0.010 . 1 . . . . 61 LYS HD3 . 15627 1 651 . 1 1 60 60 LYS HE2 H 1 2.933 0.010 . 2 . . . . 61 LYS QE . 15627 1 652 . 1 1 60 60 LYS HE3 H 1 2.933 0.010 . 2 . . . . 61 LYS QE . 15627 1 653 . 1 1 60 60 LYS HG2 H 1 1.499 0.010 . 2 . . . . 61 LYS QG . 15627 1 654 . 1 1 60 60 LYS HG3 H 1 1.499 0.010 . 2 . . . . 61 LYS QG . 15627 1 655 . 1 1 60 60 LYS C C 13 177.849 0.020 . 1 . . . . 61 LYS C . 15627 1 656 . 1 1 60 60 LYS CA C 13 58.210 0.020 . 1 . . . . 61 LYS CA . 15627 1 657 . 1 1 60 60 LYS CB C 13 32.661 0.020 . 1 . . . . 61 LYS CB . 15627 1 658 . 1 1 60 60 LYS CD C 13 29.040 0.020 . 1 . . . . 61 LYS CD . 15627 1 659 . 1 1 60 60 LYS CE C 13 42.096 0.020 . 1 . . . . 61 LYS CE . 15627 1 660 . 1 1 60 60 LYS CG C 13 24.362 0.020 . 1 . . . . 61 LYS CG . 15627 1 661 . 1 1 60 60 LYS N N 15 124.803 0.020 . 1 . . . . 61 LYS N . 15627 1 662 . 1 1 61 61 GLY H H 1 8.722 0.010 . 1 . . . . 62 GLY H . 15627 1 663 . 1 1 61 61 GLY HA2 H 1 4.534 0.010 . 1 . . . . 62 GLY HA2 . 15627 1 664 . 1 1 61 61 GLY HA3 H 1 2.771 0.010 . 1 . . . . 62 GLY HA3 . 15627 1 665 . 1 1 61 61 GLY C C 13 172.459 0.020 . 1 . . . . 62 GLY C . 15627 1 666 . 1 1 61 61 GLY CA C 13 43.927 0.020 . 1 . . . . 62 GLY CA . 15627 1 667 . 1 1 61 61 GLY N N 15 116.678 0.020 . 1 . . . . 62 GLY N . 15627 1 668 . 1 1 62 62 GLU H H 1 8.672 0.010 . 1 . . . . 63 GLU H . 15627 1 669 . 1 1 62 62 GLU HA H 1 4.573 0.010 . 1 . . . . 63 GLU HA . 15627 1 670 . 1 1 62 62 GLU HB2 H 1 1.724 0.010 . 2 . . . . 63 GLU QB . 15627 1 671 . 1 1 62 62 GLU HB3 H 1 1.724 0.010 . 2 . . . . 63 GLU QB . 15627 1 672 . 1 1 62 62 GLU HG2 H 1 2.135 0.010 . 2 . . . . 63 GLU QG . 15627 1 673 . 1 1 62 62 GLU HG3 H 1 2.135 0.010 . 2 . . . . 63 GLU QG . 15627 1 674 . 1 1 62 62 GLU C C 13 174.793 0.020 . 1 . . . . 63 GLU C . 15627 1 675 . 1 1 62 62 GLU CA C 13 54.040 0.020 . 1 . . . . 63 GLU CA . 15627 1 676 . 1 1 62 62 GLU CB C 13 33.401 0.020 . 1 . . . . 63 GLU CB . 15627 1 677 . 1 1 62 62 GLU CG C 13 35.935 0.020 . 1 . . . . 63 GLU CG . 15627 1 678 . 1 1 62 62 GLU N N 15 120.423 0.020 . 1 . . . . 63 GLU N . 15627 1 679 . 1 1 63 63 GLU H H 1 8.564 0.010 . 1 . . . . 64 GLU H . 15627 1 680 . 1 1 63 63 GLU HA H 1 4.563 0.010 . 1 . . . . 64 GLU HA . 15627 1 681 . 1 1 63 63 GLU HB2 H 1 1.724 0.010 . 2 . . . . 64 GLU QB . 15627 1 682 . 1 1 63 63 GLU HB3 H 1 1.724 0.010 . 2 . . . . 64 GLU QB . 15627 1 683 . 1 1 63 63 GLU C C 13 176.186 0.020 . 1 . . . . 64 GLU C . 15627 1 684 . 1 1 63 63 GLU CA C 13 56.836 0.020 . 1 . . . . 64 GLU CA . 15627 1 685 . 1 1 63 63 GLU CB C 13 30.740 0.020 . 1 . . . . 64 GLU CB . 15627 1 686 . 1 1 63 63 GLU N N 15 123.098 0.020 . 1 . . . . 64 GLU N . 15627 1 687 . 1 1 64 64 LYS H H 1 8.819 0.010 . 1 . . . . 65 LYS H . 15627 1 688 . 1 1 64 64 LYS HA H 1 4.258 0.010 . 1 . . . . 65 LYS HA . 15627 1 689 . 1 1 64 64 LYS HB2 H 1 1.290 0.010 . 2 . . . . 65 LYS QB . 15627 1 690 . 1 1 64 64 LYS HB3 H 1 1.290 0.010 . 2 . . . . 65 LYS QB . 15627 1 691 . 1 1 64 64 LYS HD2 H 1 0.846 0.010 . 2 . . . . 65 LYS QD . 15627 1 692 . 1 1 64 64 LYS HD3 H 1 0.846 0.010 . 2 . . . . 65 LYS QD . 15627 1 693 . 1 1 64 64 LYS HE2 H 1 2.403 0.010 . 2 . . . . 65 LYS QE . 15627 1 694 . 1 1 64 64 LYS HE3 H 1 2.403 0.010 . 2 . . . . 65 LYS QE . 15627 1 695 . 1 1 64 64 LYS HG2 H 1 1.104 0.010 . 2 . . . . 65 LYS QG . 15627 1 696 . 1 1 64 64 LYS HG3 H 1 1.104 0.010 . 2 . . . . 65 LYS QG . 15627 1 697 . 1 1 64 64 LYS C C 13 173.699 0.020 . 1 . . . . 65 LYS C . 15627 1 698 . 1 1 64 64 LYS CA C 13 55.205 0.020 . 1 . . . . 65 LYS CA . 15627 1 699 . 1 1 64 64 LYS CB C 13 38.104 0.020 . 1 . . . . 65 LYS CB . 15627 1 700 . 1 1 64 64 LYS CD C 13 29.167 0.020 . 1 . . . . 65 LYS CD . 15627 1 701 . 1 1 64 64 LYS CE C 13 41.436 0.020 . 1 . . . . 65 LYS CE . 15627 1 702 . 1 1 64 64 LYS CG C 13 24.692 0.020 . 1 . . . . 65 LYS CG . 15627 1 703 . 1 1 64 64 LYS N N 15 127.685 0.020 . 1 . . . . 65 LYS N . 15627 1 704 . 1 1 65 65 GLU H H 1 8.421 0.010 . 1 . . . . 66 GLU H . 15627 1 705 . 1 1 65 65 GLU HA H 1 4.707 0.010 . 1 . . . . 66 GLU HA . 15627 1 706 . 1 1 65 65 GLU HB2 H 1 1.574 0.010 . 2 . . . . 66 GLU QB . 15627 1 707 . 1 1 65 65 GLU HB3 H 1 1.574 0.010 . 2 . . . . 66 GLU QB . 15627 1 708 . 1 1 65 65 GLU HG2 H 1 1.840 0.010 . 2 . . . . 66 GLU QG . 15627 1 709 . 1 1 65 65 GLU HG3 H 1 1.840 0.010 . 2 . . . . 66 GLU QG . 15627 1 710 . 1 1 65 65 GLU C C 13 174.920 0.020 . 1 . . . . 66 GLU C . 15627 1 711 . 1 1 65 65 GLU CA C 13 54.968 0.020 . 1 . . . . 66 GLU CA . 15627 1 712 . 1 1 65 65 GLU CB C 13 30.618 0.020 . 1 . . . . 66 GLU CB . 15627 1 713 . 1 1 65 65 GLU CG C 13 35.884 0.020 . 1 . . . . 66 GLU CG . 15627 1 714 . 1 1 65 65 GLU N N 15 126.475 0.020 . 1 . . . . 66 GLU N . 15627 1 715 . 1 1 66 66 ASP H H 1 7.961 0.010 . 1 . . . . 67 ASP H . 15627 1 716 . 1 1 66 66 ASP HA H 1 4.654 0.010 . 1 . . . . 67 ASP HA . 15627 1 717 . 1 1 66 66 ASP HB2 H 1 2.689 0.010 . 1 . . . . 67 ASP HB2 . 15627 1 718 . 1 1 66 66 ASP HB3 H 1 2.876 0.010 . 1 . . . . 67 ASP HB3 . 15627 1 719 . 1 1 66 66 ASP C C 13 176.675 0.020 . 1 . . . . 67 ASP C . 15627 1 720 . 1 1 66 66 ASP CA C 13 52.199 0.020 . 1 . . . . 67 ASP CA . 15627 1 721 . 1 1 66 66 ASP CB C 13 43.835 0.020 . 1 . . . . 67 ASP CB . 15627 1 722 . 1 1 66 66 ASP N N 15 124.835 0.020 . 1 . . . . 67 ASP N . 15627 1 723 . 1 1 67 67 GLU H H 1 8.707 0.010 . 1 . . . . 68 GLU H . 15627 1 724 . 1 1 67 67 GLU HA H 1 3.815 0.010 . 1 . . . . 68 GLU HA . 15627 1 725 . 1 1 67 67 GLU HB2 H 1 1.445 0.010 . 1 . . . . 68 GLU HB2 . 15627 1 726 . 1 1 67 67 GLU HB3 H 1 1.346 0.010 . 1 . . . . 68 GLU HB3 . 15627 1 727 . 1 1 67 67 GLU HG2 H 1 1.135 0.010 . 2 . . . . 68 GLU QG . 15627 1 728 . 1 1 67 67 GLU HG3 H 1 1.135 0.010 . 2 . . . . 68 GLU QG . 15627 1 729 . 1 1 67 67 GLU C C 13 175.428 0.020 . 1 . . . . 68 GLU C . 15627 1 730 . 1 1 67 67 GLU CA C 13 57.453 0.020 . 1 . . . . 68 GLU CA . 15627 1 731 . 1 1 67 67 GLU CB C 13 29.343 0.020 . 1 . . . . 68 GLU CB . 15627 1 732 . 1 1 67 67 GLU CG C 13 34.767 0.020 . 1 . . . . 68 GLU CG . 15627 1 733 . 1 1 67 67 GLU N N 15 118.878 0.020 . 1 . . . . 68 GLU N . 15627 1 734 . 1 1 68 68 PHE H H 1 7.480 0.010 . 1 . . . . 69 PHE H . 15627 1 735 . 1 1 68 68 PHE HA H 1 4.083 0.010 . 1 . . . . 69 PHE HA . 15627 1 736 . 1 1 68 68 PHE HB2 H 1 2.386 0.010 . 1 . . . . 69 PHE HB2 . 15627 1 737 . 1 1 68 68 PHE HB3 H 1 2.582 0.010 . 1 . . . . 69 PHE HB3 . 15627 1 738 . 1 1 68 68 PHE HD1 H 1 6.953 0.010 . 1 . . . . 69 PHE QD . 15627 1 739 . 1 1 68 68 PHE HD2 H 1 6.953 0.010 . 1 . . . . 69 PHE QD . 15627 1 740 . 1 1 68 68 PHE HE1 H 1 6.774 0.010 . 1 . . . . 69 PHE QE . 15627 1 741 . 1 1 68 68 PHE HE2 H 1 6.774 0.010 . 1 . . . . 69 PHE QE . 15627 1 742 . 1 1 68 68 PHE C C 13 177.081 0.020 . 1 . . . . 69 PHE C . 15627 1 743 . 1 1 68 68 PHE CA C 13 58.937 0.020 . 1 . . . . 69 PHE CA . 15627 1 744 . 1 1 68 68 PHE CB C 13 39.295 0.020 . 1 . . . . 69 PHE CB . 15627 1 745 . 1 1 68 68 PHE CD1 C 13 131.506 0.020 . 1 . . . . 69 PHE CD1 . 15627 1 746 . 1 1 68 68 PHE CD2 C 13 131.506 0.020 . 1 . . . . 69 PHE CD2 . 15627 1 747 . 1 1 68 68 PHE CE1 C 13 129.592 0.020 . 1 . . . . 69 PHE CE1 . 15627 1 748 . 1 1 68 68 PHE CE2 C 13 129.592 0.020 . 1 . . . . 69 PHE CE2 . 15627 1 749 . 1 1 68 68 PHE N N 15 121.472 0.020 . 1 . . . . 69 PHE N . 15627 1 750 . 1 1 69 69 PHE H H 1 8.400 0.010 . 1 . . . . 70 PHE H . 15627 1 751 . 1 1 69 69 PHE HA H 1 4.709 0.010 . 1 . . . . 70 PHE HA . 15627 1 752 . 1 1 69 69 PHE HB2 H 1 3.193 0.010 . 1 . . . . 70 PHE HB2 . 15627 1 753 . 1 1 69 69 PHE HB3 H 1 1.974 0.010 . 1 . . . . 70 PHE HB3 . 15627 1 754 . 1 1 69 69 PHE HD1 H 1 6.625 0.010 . 1 . . . . 70 PHE QD . 15627 1 755 . 1 1 69 69 PHE HD2 H 1 6.625 0.010 . 1 . . . . 70 PHE QD . 15627 1 756 . 1 1 69 69 PHE HE1 H 1 6.771 0.010 . 1 . . . . 70 PHE QE . 15627 1 757 . 1 1 69 69 PHE HE2 H 1 6.771 0.010 . 1 . . . . 70 PHE QE . 15627 1 758 . 1 1 69 69 PHE HZ H 1 6.838 0.010 . 1 . . . . 70 PHE HZ . 15627 1 759 . 1 1 69 69 PHE C C 13 175.949 0.020 . 1 . . . . 70 PHE C . 15627 1 760 . 1 1 69 69 PHE CA C 13 56.904 0.020 . 1 . . . . 70 PHE CA . 15627 1 761 . 1 1 69 69 PHE CB C 13 40.762 0.020 . 1 . . . . 70 PHE CB . 15627 1 762 . 1 1 69 69 PHE CD1 C 13 131.400 0.020 . 1 . . . . 70 PHE CD1 . 15627 1 763 . 1 1 69 69 PHE CD2 C 13 131.400 0.020 . 1 . . . . 70 PHE CD2 . 15627 1 764 . 1 1 69 69 PHE CE1 C 13 130.520 0.020 . 1 . . . . 70 PHE CE1 . 15627 1 765 . 1 1 69 69 PHE CE2 C 13 130.520 0.020 . 1 . . . . 70 PHE CE2 . 15627 1 766 . 1 1 69 69 PHE CZ C 13 129.142 0.020 . 1 . . . . 70 PHE CZ . 15627 1 767 . 1 1 69 69 PHE N N 15 114.777 0.020 . 1 . . . . 70 PHE N . 15627 1 768 . 1 1 70 70 GLY H H 1 7.538 0.010 . 1 . . . . 71 GLY H . 15627 1 769 . 1 1 70 70 GLY HA2 H 1 3.775 0.010 . 1 . . . . 71 GLY HA2 . 15627 1 770 . 1 1 70 70 GLY HA3 H 1 3.934 0.010 . 1 . . . . 71 GLY HA3 . 15627 1 771 . 1 1 70 70 GLY C C 13 174.359 0.020 . 1 . . . . 71 GLY C . 15627 1 772 . 1 1 70 70 GLY CA C 13 46.096 0.020 . 1 . . . . 71 GLY CA . 15627 1 773 . 1 1 70 70 GLY N N 15 112.285 0.020 . 1 . . . . 71 GLY N . 15627 1 774 . 1 1 71 71 ARG H H 1 8.491 0.010 . 1 . . . . 72 ARG H . 15627 1 775 . 1 1 71 71 ARG HA H 1 4.486 0.010 . 1 . . . . 72 ARG HA . 15627 1 776 . 1 1 71 71 ARG HB2 H 1 1.542 0.010 . 1 . . . . 72 ARG HB2 . 15627 1 777 . 1 1 71 71 ARG HB3 H 1 1.630 0.010 . 1 . . . . 72 ARG HB3 . 15627 1 778 . 1 1 71 71 ARG HD2 H 1 2.978 0.010 . 2 . . . . 72 ARG QD . 15627 1 779 . 1 1 71 71 ARG HD3 H 1 2.978 0.010 . 2 . . . . 72 ARG QD . 15627 1 780 . 1 1 71 71 ARG HG2 H 1 1.253 0.010 . 2 . . . . 72 ARG QG . 15627 1 781 . 1 1 71 71 ARG HG3 H 1 1.253 0.010 . 2 . . . . 72 ARG QG . 15627 1 782 . 1 1 71 71 ARG C C 13 176.293 0.020 . 1 . . . . 72 ARG C . 15627 1 783 . 1 1 71 71 ARG CA C 13 56.941 0.020 . 1 . . . . 72 ARG CA . 15627 1 784 . 1 1 71 71 ARG CB C 13 29.692 0.020 . 1 . . . . 72 ARG CB . 15627 1 785 . 1 1 71 71 ARG CD C 13 43.570 0.020 . 1 . . . . 72 ARG CD . 15627 1 786 . 1 1 71 71 ARG CG C 13 27.455 0.020 . 1 . . . . 72 ARG CG . 15627 1 787 . 1 1 71 71 ARG N N 15 126.463 0.020 . 1 . . . . 72 ARG N . 15627 1 788 . 1 1 72 72 GLN H H 1 8.842 0.010 . 1 . . . . 73 GLN H . 15627 1 789 . 1 1 72 72 GLN HA H 1 4.479 0.010 . 1 . . . . 73 GLN HA . 15627 1 790 . 1 1 72 72 GLN HB2 H 1 1.791 0.010 . 2 . . . . 73 GLN QB . 15627 1 791 . 1 1 72 72 GLN HB3 H 1 1.791 0.010 . 2 . . . . 73 GLN QB . 15627 1 792 . 1 1 72 72 GLN C C 13 174.582 0.020 . 1 . . . . 73 GLN C . 15627 1 793 . 1 1 72 72 GLN CA C 13 53.612 0.020 . 1 . . . . 73 GLN CA . 15627 1 794 . 1 1 72 72 GLN CB C 13 33.970 0.020 . 1 . . . . 73 GLN CB . 15627 1 795 . 1 1 72 72 GLN N N 15 126.828 0.020 . 1 . . . . 73 GLN N . 15627 1 796 . 1 1 73 73 THR H H 1 8.361 0.010 . 1 . . . . 74 THR H . 15627 1 797 . 1 1 73 73 THR HA H 1 4.514 0.010 . 1 . . . . 74 THR HA . 15627 1 798 . 1 1 73 73 THR HB H 1 3.524 0.010 . 1 . . . . 74 THR HB . 15627 1 799 . 1 1 73 73 THR HG21 H 1 0.639 0.010 . 1 . . . . 74 THR QG2 . 15627 1 800 . 1 1 73 73 THR HG22 H 1 0.639 0.010 . 1 . . . . 74 THR QG2 . 15627 1 801 . 1 1 73 73 THR HG23 H 1 0.639 0.010 . 1 . . . . 74 THR QG2 . 15627 1 802 . 1 1 73 73 THR C C 13 175.065 0.020 . 1 . . . . 74 THR C . 15627 1 803 . 1 1 73 73 THR CA C 13 63.013 0.020 . 1 . . . . 74 THR CA . 15627 1 804 . 1 1 73 73 THR CB C 13 67.995 0.020 . 1 . . . . 74 THR CB . 15627 1 805 . 1 1 73 73 THR CG2 C 13 21.863 0.020 . 1 . . . . 74 THR CG2 . 15627 1 806 . 1 1 73 73 THR N N 15 117.984 0.020 . 1 . . . . 74 THR N . 15627 1 807 . 1 1 74 74 VAL H H 1 9.602 0.010 . 1 . . . . 75 VAL H . 15627 1 808 . 1 1 74 74 VAL HA H 1 5.135 0.010 . 1 . . . . 75 VAL HA . 15627 1 809 . 1 1 74 74 VAL HB H 1 1.724 0.010 . 1 . . . . 75 VAL HB . 15627 1 810 . 1 1 74 74 VAL HG11 H 1 0.187 0.010 . 2 . . . . 75 VAL QG1 . 15627 1 811 . 1 1 74 74 VAL HG12 H 1 0.187 0.010 . 2 . . . . 75 VAL QG1 . 15627 1 812 . 1 1 74 74 VAL HG13 H 1 0.187 0.010 . 2 . . . . 75 VAL QG1 . 15627 1 813 . 1 1 74 74 VAL HG21 H 1 0.576 0.010 . 2 . . . . 75 VAL QG2 . 15627 1 814 . 1 1 74 74 VAL HG22 H 1 0.576 0.010 . 2 . . . . 75 VAL QG2 . 15627 1 815 . 1 1 74 74 VAL HG23 H 1 0.576 0.010 . 2 . . . . 75 VAL QG2 . 15627 1 816 . 1 1 74 74 VAL C C 13 173.304 0.020 . 1 . . . . 75 VAL C . 15627 1 817 . 1 1 74 74 VAL CA C 13 57.890 0.020 . 1 . . . . 75 VAL CA . 15627 1 818 . 1 1 74 74 VAL CB C 13 36.152 0.020 . 1 . . . . 75 VAL CB . 15627 1 819 . 1 1 74 74 VAL CG1 C 13 17.735 0.020 . 1 . . . . 75 VAL CG1 . 15627 1 820 . 1 1 74 74 VAL CG2 C 13 21.044 0.020 . 1 . . . . 75 VAL CG2 . 15627 1 821 . 1 1 74 74 VAL N N 15 124.470 0.020 . 1 . . . . 75 VAL N . 15627 1 822 . 1 1 75 75 TYR H H 1 8.364 0.010 . 1 . . . . 76 TYR H . 15627 1 823 . 1 1 75 75 TYR HA H 1 5.191 0.010 . 1 . . . . 76 TYR HA . 15627 1 824 . 1 1 75 75 TYR HB2 H 1 2.831 0.010 . 1 . . . . 76 TYR HB2 . 15627 1 825 . 1 1 75 75 TYR HB3 H 1 1.972 0.010 . 1 . . . . 76 TYR HB3 . 15627 1 826 . 1 1 75 75 TYR C C 13 175.933 0.020 . 1 . . . . 76 TYR C . 15627 1 827 . 1 1 75 75 TYR CA C 13 56.544 0.020 . 1 . . . . 76 TYR CA . 15627 1 828 . 1 1 75 75 TYR CB C 13 42.700 0.020 . 1 . . . . 76 TYR CB . 15627 1 829 . 1 1 75 75 TYR N N 15 115.463 0.020 . 1 . . . . 76 TYR N . 15627 1 830 . 1 1 76 76 HIS H H 1 8.933 0.010 . 1 . . . . 77 HIS H . 15627 1 831 . 1 1 76 76 HIS HA H 1 4.660 0.010 . 1 . . . . 77 HIS HA . 15627 1 832 . 1 1 76 76 HIS HB2 H 1 2.784 0.010 . 2 . . . . 77 HIS QB . 15627 1 833 . 1 1 76 76 HIS HB3 H 1 2.784 0.010 . 2 . . . . 77 HIS QB . 15627 1 834 . 1 1 76 76 HIS HD2 H 1 7.164 0.010 . 1 . . . . 77 HIS HD2 . 15627 1 835 . 1 1 76 76 HIS C C 13 176.224 0.020 . 1 . . . . 77 HIS C . 15627 1 836 . 1 1 76 76 HIS CA C 13 55.711 0.020 . 1 . . . . 77 HIS CA . 15627 1 837 . 1 1 76 76 HIS CB C 13 30.930 0.020 . 1 . . . . 77 HIS CB . 15627 1 838 . 1 1 76 76 HIS CD2 C 13 121.057 0.020 . 1 . . . . 77 HIS CD2 . 15627 1 839 . 1 1 76 76 HIS N N 15 119.037 0.020 . 1 . . . . 77 HIS N . 15627 1 840 . 1 1 77 77 HIS H H 1 9.277 0.010 . 1 . . . . 78 HIS H . 15627 1 841 . 1 1 77 77 HIS HA H 1 4.539 0.010 . 1 . . . . 78 HIS HA . 15627 1 842 . 1 1 77 77 HIS HB2 H 1 3.473 0.010 . 1 . . . . 78 HIS HB2 . 15627 1 843 . 1 1 77 77 HIS HB3 H 1 3.629 0.010 . 1 . . . . 78 HIS HB3 . 15627 1 844 . 1 1 77 77 HIS HD2 H 1 7.253 0.010 . 1 . . . . 78 HIS HD2 . 15627 1 845 . 1 1 77 77 HIS C C 13 175.358 0.020 . 1 . . . . 78 HIS C . 15627 1 846 . 1 1 77 77 HIS CA C 13 61.382 0.020 . 1 . . . . 78 HIS CA . 15627 1 847 . 1 1 77 77 HIS CB C 13 28.207 0.020 . 1 . . . . 78 HIS CB . 15627 1 848 . 1 1 77 77 HIS CD2 C 13 121.125 0.020 . 1 . . . . 78 HIS CD2 . 15627 1 849 . 1 1 77 77 HIS N N 15 116.456 0.020 . 1 . . . . 78 HIS N . 15627 1 850 . 1 1 78 78 GLU H H 1 9.746 0.010 . 1 . . . . 79 GLU H . 15627 1 851 . 1 1 78 78 GLU HA H 1 5.158 0.010 . 1 . . . . 79 GLU HA . 15627 1 852 . 1 1 78 78 GLU HB2 H 1 1.947 0.010 . 2 . . . . 79 GLU QB . 15627 1 853 . 1 1 78 78 GLU HB3 H 1 1.947 0.010 . 2 . . . . 79 GLU QB . 15627 1 854 . 1 1 78 78 GLU HG2 H 1 2.038 0.010 . 2 . . . . 79 GLU QG . 15627 1 855 . 1 1 78 78 GLU HG3 H 1 2.038 0.010 . 2 . . . . 79 GLU QG . 15627 1 856 . 1 1 78 78 GLU C C 13 173.577 0.020 . 1 . . . . 79 GLU C . 15627 1 857 . 1 1 78 78 GLU CA C 13 55.216 0.020 . 1 . . . . 79 GLU CA . 15627 1 858 . 1 1 78 78 GLU CB C 13 33.853 0.020 . 1 . . . . 79 GLU CB . 15627 1 859 . 1 1 78 78 GLU CG C 13 36.106 0.020 . 1 . . . . 79 GLU CG . 15627 1 860 . 1 1 78 78 GLU N N 15 125.833 0.020 . 1 . . . . 79 GLU N . 15627 1 861 . 1 1 79 79 ALA H H 1 7.722 0.010 . 1 . . . . 80 ALA H . 15627 1 862 . 1 1 79 79 ALA HA H 1 3.800 0.010 . 1 . . . . 80 ALA HA . 15627 1 863 . 1 1 79 79 ALA HB1 H 1 0.191 0.010 . 1 . . . . 80 ALA QB . 15627 1 864 . 1 1 79 79 ALA HB2 H 1 0.191 0.010 . 1 . . . . 80 ALA QB . 15627 1 865 . 1 1 79 79 ALA HB3 H 1 0.191 0.010 . 1 . . . . 80 ALA QB . 15627 1 866 . 1 1 79 79 ALA C C 13 175.416 0.020 . 1 . . . . 80 ALA C . 15627 1 867 . 1 1 79 79 ALA CA C 13 51.740 0.020 . 1 . . . . 80 ALA CA . 15627 1 868 . 1 1 79 79 ALA CB C 13 22.026 0.020 . 1 . . . . 80 ALA CB . 15627 1 869 . 1 1 79 79 ALA N N 15 122.067 0.020 . 1 . . . . 80 ALA N . 15627 1 870 . 1 1 80 80 GLN H H 1 7.862 0.010 . 1 . . . . 81 GLN H . 15627 1 871 . 1 1 80 80 GLN HA H 1 5.316 0.010 . 1 . . . . 81 GLN HA . 15627 1 872 . 1 1 80 80 GLN HB2 H 1 1.702 0.010 . 1 . . . . 81 GLN HB2 . 15627 1 873 . 1 1 80 80 GLN HB3 H 1 1.899 0.010 . 1 . . . . 81 GLN HB3 . 15627 1 874 . 1 1 80 80 GLN HG2 H 1 2.053 0.010 . 1 . . . . 81 GLN HG2 . 15627 1 875 . 1 1 80 80 GLN HG3 H 1 2.098 0.010 . 1 . . . . 81 GLN HG3 . 15627 1 876 . 1 1 80 80 GLN C C 13 173.883 0.020 . 1 . . . . 81 GLN C . 15627 1 877 . 1 1 80 80 GLN CA C 13 54.793 0.020 . 1 . . . . 81 GLN CA . 15627 1 878 . 1 1 80 80 GLN CB C 13 31.315 0.020 . 1 . . . . 81 GLN CB . 15627 1 879 . 1 1 80 80 GLN CG C 13 33.986 0.020 . 1 . . . . 81 GLN CG . 15627 1 880 . 1 1 80 80 GLN N N 15 120.923 0.020 . 1 . . . . 81 GLN N . 15627 1 881 . 1 1 81 81 VAL H H 1 8.841 0.010 . 1 . . . . 82 VAL H . 15627 1 882 . 1 1 81 81 VAL HA H 1 4.320 0.010 . 1 . . . . 82 VAL HA . 15627 1 883 . 1 1 81 81 VAL HB H 1 1.610 0.010 . 1 . . . . 82 VAL HB . 15627 1 884 . 1 1 81 81 VAL HG11 H 1 -0.020 0.010 . 2 . . . . 82 VAL QG1 . 15627 1 885 . 1 1 81 81 VAL HG12 H 1 -0.020 0.010 . 2 . . . . 82 VAL QG1 . 15627 1 886 . 1 1 81 81 VAL HG13 H 1 -0.020 0.010 . 2 . . . . 82 VAL QG1 . 15627 1 887 . 1 1 81 81 VAL HG21 H 1 0.571 0.010 . 1 . . . . 82 VAL HG21 . 15627 1 888 . 1 1 81 81 VAL HG22 H 1 0.571 0.010 . 1 . . . . 82 VAL HG22 . 15627 1 889 . 1 1 81 81 VAL HG23 H 1 0.571 0.010 . 1 . . . . 82 VAL HG23 . 15627 1 890 . 1 1 81 81 VAL C C 13 172.592 0.020 . 1 . . . . 82 VAL C . 15627 1 891 . 1 1 81 81 VAL CA C 13 60.377 0.020 . 1 . . . . 82 VAL CA . 15627 1 892 . 1 1 81 81 VAL CB C 13 34.932 0.020 . 1 . . . . 82 VAL CB . 15627 1 893 . 1 1 81 81 VAL CG1 C 13 21.739 0.020 . 1 . . . . 82 VAL CG1 . 15627 1 894 . 1 1 81 81 VAL CG2 C 13 21.265 0.020 . 1 . . . . 82 VAL CG2 . 15627 1 895 . 1 1 81 81 VAL N N 15 124.439 0.020 . 1 . . . . 82 VAL N . 15627 1 896 . 1 1 82 82 ALA H H 1 8.295 0.010 . 1 . . . . 83 ALA H . 15627 1 897 . 1 1 82 82 ALA HA H 1 4.896 0.010 . 1 . . . . 83 ALA HA . 15627 1 898 . 1 1 82 82 ALA HB1 H 1 1.007 0.010 . 1 . . . . 83 ALA QB . 15627 1 899 . 1 1 82 82 ALA HB2 H 1 1.007 0.010 . 1 . . . . 83 ALA QB . 15627 1 900 . 1 1 82 82 ALA HB3 H 1 1.007 0.010 . 1 . . . . 83 ALA QB . 15627 1 901 . 1 1 82 82 ALA C C 13 175.988 0.020 . 1 . . . . 83 ALA C . 15627 1 902 . 1 1 82 82 ALA CA C 13 50.700 0.020 . 1 . . . . 83 ALA CA . 15627 1 903 . 1 1 82 82 ALA CB C 13 20.644 0.020 . 1 . . . . 83 ALA CB . 15627 1 904 . 1 1 82 82 ALA N N 15 130.736 0.020 . 1 . . . . 83 ALA N . 15627 1 905 . 1 1 83 83 PHE H H 1 9.015 0.010 . 1 . . . . 84 PHE H . 15627 1 906 . 1 1 83 83 PHE HA H 1 4.616 0.010 . 1 . . . . 84 PHE HA . 15627 1 907 . 1 1 83 83 PHE HB2 H 1 2.823 0.010 . 1 . . . . 84 PHE HB2 . 15627 1 908 . 1 1 83 83 PHE HB3 H 1 2.520 0.010 . 1 . . . . 84 PHE HB3 . 15627 1 909 . 1 1 83 83 PHE HD1 H 1 6.965 0.010 . 1 . . . . 84 PHE QD . 15627 1 910 . 1 1 83 83 PHE HD2 H 1 6.965 0.010 . 1 . . . . 84 PHE QD . 15627 1 911 . 1 1 83 83 PHE C C 13 172.821 0.020 . 1 . . . . 84 PHE C . 15627 1 912 . 1 1 83 83 PHE CA C 13 53.788 0.020 . 1 . . . . 84 PHE CA . 15627 1 913 . 1 1 83 83 PHE CB C 13 41.390 0.020 . 1 . . . . 84 PHE CB . 15627 1 914 . 1 1 83 83 PHE CD1 C 13 130.629 0.020 . 1 . . . . 84 PHE CD1 . 15627 1 915 . 1 1 83 83 PHE CD2 C 13 130.629 0.020 . 1 . . . . 84 PHE CD2 . 15627 1 916 . 1 1 83 83 PHE N N 15 121.595 0.020 . 1 . . . . 84 PHE N . 15627 1 917 . 1 1 84 84 PRO HA H 1 4.580 0.010 . 1 . . . . 85 PRO HA . 15627 1 918 . 1 1 84 84 PRO HB2 H 1 1.702 0.010 . 1 . . . . 85 PRO HB2 . 15627 1 919 . 1 1 84 84 PRO HB3 H 1 2.048 0.010 . 1 . . . . 85 PRO HB3 . 15627 1 920 . 1 1 84 84 PRO HD2 H 1 3.276 0.010 . 2 . . . . 85 PRO QD . 15627 1 921 . 1 1 84 84 PRO HD3 H 1 3.276 0.010 . 2 . . . . 85 PRO QD . 15627 1 922 . 1 1 84 84 PRO HG2 H 1 1.930 0.010 . 2 . . . . 85 PRO QG . 15627 1 923 . 1 1 84 84 PRO HG3 H 1 1.930 0.010 . 2 . . . . 85 PRO QG . 15627 1 924 . 1 1 84 84 PRO C C 13 177.361 0.020 . 1 . . . . 85 PRO C . 15627 1 925 . 1 1 84 84 PRO CA C 13 61.605 0.020 . 1 . . . . 85 PRO CA . 15627 1 926 . 1 1 84 84 PRO CB C 13 31.675 0.020 . 1 . . . . 85 PRO CB . 15627 1 927 . 1 1 84 84 PRO CD C 13 50.811 0.020 . 1 . . . . 85 PRO CD . 15627 1 928 . 1 1 84 84 PRO CG C 13 26.460 0.020 . 1 . . . . 85 PRO CG . 15627 1 929 . 1 1 85 85 TYR H H 1 7.976 0.010 . 1 . . . . 86 TYR H . 15627 1 930 . 1 1 85 85 TYR HA H 1 4.967 0.010 . 1 . . . . 86 TYR HA . 15627 1 931 . 1 1 85 85 TYR HB2 H 1 2.440 0.010 . 1 . . . . 86 TYR HB2 . 15627 1 932 . 1 1 85 85 TYR HB3 H 1 3.266 0.010 . 1 . . . . 86 TYR HB3 . 15627 1 933 . 1 1 85 85 TYR HD1 H 1 6.875 0.010 . 1 . . . . 86 TYR QD . 15627 1 934 . 1 1 85 85 TYR HD2 H 1 6.875 0.010 . 1 . . . . 86 TYR QD . 15627 1 935 . 1 1 85 85 TYR HE1 H 1 6.680 0.010 . 1 . . . . 86 TYR QE . 15627 1 936 . 1 1 85 85 TYR HE2 H 1 6.680 0.010 . 1 . . . . 86 TYR QE . 15627 1 937 . 1 1 85 85 TYR C C 13 177.920 0.020 . 1 . . . . 86 TYR C . 15627 1 938 . 1 1 85 85 TYR CA C 13 57.339 0.020 . 1 . . . . 86 TYR CA . 15627 1 939 . 1 1 85 85 TYR CB C 13 37.765 0.020 . 1 . . . . 86 TYR CB . 15627 1 940 . 1 1 85 85 TYR CD1 C 13 131.458 0.020 . 1 . . . . 86 TYR CD1 . 15627 1 941 . 1 1 85 85 TYR CD2 C 13 131.458 0.020 . 1 . . . . 86 TYR CD2 . 15627 1 942 . 1 1 85 85 TYR CE1 C 13 118.279 0.020 . 1 . . . . 86 TYR CE1 . 15627 1 943 . 1 1 85 85 TYR CE2 C 13 118.279 0.020 . 1 . . . . 86 TYR CE2 . 15627 1 944 . 1 1 85 85 TYR N N 15 120.420 0.020 . 1 . . . . 86 TYR N . 15627 1 945 . 1 1 86 86 ALA H H 1 9.067 0.010 . 1 . . . . 87 ALA H . 15627 1 946 . 1 1 86 86 ALA HA H 1 4.102 0.010 . 1 . . . . 87 ALA HA . 15627 1 947 . 1 1 86 86 ALA HB1 H 1 1.016 0.010 . 1 . . . . 87 ALA QB . 15627 1 948 . 1 1 86 86 ALA HB2 H 1 1.016 0.010 . 1 . . . . 87 ALA QB . 15627 1 949 . 1 1 86 86 ALA HB3 H 1 1.016 0.010 . 1 . . . . 87 ALA QB . 15627 1 950 . 1 1 86 86 ALA C C 13 176.686 0.020 . 1 . . . . 87 ALA C . 15627 1 951 . 1 1 86 86 ALA CA C 13 52.564 0.020 . 1 . . . . 87 ALA CA . 15627 1 952 . 1 1 86 86 ALA CB C 13 19.391 0.020 . 1 . . . . 87 ALA CB . 15627 1 953 . 1 1 86 86 ALA N N 15 126.769 0.020 . 1 . . . . 87 ALA N . 15627 1 954 . 1 1 87 87 LYS H H 1 7.461 0.010 . 1 . . . . 88 LYS H . 15627 1 955 . 1 1 87 87 LYS HA H 1 4.247 0.010 . 1 . . . . 88 LYS HA . 15627 1 956 . 1 1 87 87 LYS HB2 H 1 1.438 0.010 . 1 . . . . 88 LYS HB2 . 15627 1 957 . 1 1 87 87 LYS HB3 H 1 1.711 0.010 . 1 . . . . 88 LYS HB3 . 15627 1 958 . 1 1 87 87 LYS HD2 H 1 1.376 0.010 . 2 . . . . 88 LYS QD . 15627 1 959 . 1 1 87 87 LYS HD3 H 1 1.376 0.010 . 2 . . . . 88 LYS QD . 15627 1 960 . 1 1 87 87 LYS HE2 H 1 2.695 0.010 . 2 . . . . 88 LYS QE . 15627 1 961 . 1 1 87 87 LYS HE3 H 1 2.695 0.010 . 2 . . . . 88 LYS QE . 15627 1 962 . 1 1 87 87 LYS HG2 H 1 1.011 0.010 . 1 . . . . 88 LYS HG2 . 15627 1 963 . 1 1 87 87 LYS HG3 H 1 1.058 0.010 . 1 . . . . 88 LYS HG3 . 15627 1 964 . 1 1 87 87 LYS C C 13 173.699 0.020 . 1 . . . . 88 LYS C . 15627 1 965 . 1 1 87 87 LYS CA C 13 53.773 0.020 . 1 . . . . 88 LYS CA . 15627 1 966 . 1 1 87 87 LYS CB C 13 34.843 0.020 . 1 . . . . 88 LYS CB . 15627 1 967 . 1 1 87 87 LYS CD C 13 29.046 0.020 . 1 . . . . 88 LYS CD . 15627 1 968 . 1 1 87 87 LYS CE C 13 41.749 0.020 . 1 . . . . 88 LYS CE . 15627 1 969 . 1 1 87 87 LYS CG C 13 22.977 0.020 . 1 . . . . 88 LYS CG . 15627 1 970 . 1 1 87 87 LYS N N 15 115.679 0.020 . 1 . . . . 88 LYS N . 15627 1 971 . 1 1 88 88 ALA H H 1 7.906 0.010 . 1 . . . . 89 ALA H . 15627 1 972 . 1 1 88 88 ALA HA H 1 3.921 0.010 . 1 . . . . 89 ALA HA . 15627 1 973 . 1 1 88 88 ALA HB1 H 1 1.064 0.010 . 1 . . . . 89 ALA QB . 15627 1 974 . 1 1 88 88 ALA HB2 H 1 1.064 0.010 . 1 . . . . 89 ALA QB . 15627 1 975 . 1 1 88 88 ALA HB3 H 1 1.064 0.010 . 1 . . . . 89 ALA QB . 15627 1 976 . 1 1 88 88 ALA C C 13 177.323 0.020 . 1 . . . . 89 ALA C . 15627 1 977 . 1 1 88 88 ALA CA C 13 52.739 0.020 . 1 . . . . 89 ALA CA . 15627 1 978 . 1 1 88 88 ALA CB C 13 18.322 0.020 . 1 . . . . 89 ALA CB . 15627 1 979 . 1 1 88 88 ALA N N 15 122.211 0.020 . 1 . . . . 89 ALA N . 15627 1 980 . 1 1 89 89 VAL H H 1 7.896 0.010 . 1 . . . . 90 VAL H . 15627 1 981 . 1 1 89 89 VAL HA H 1 3.754 0.010 . 1 . . . . 90 VAL HA . 15627 1 982 . 1 1 89 89 VAL HB H 1 1.242 0.010 . 1 . . . . 90 VAL HB . 15627 1 983 . 1 1 89 89 VAL HG11 H 1 0.130 0.010 . 2 . . . . 90 VAL QG1 . 15627 1 984 . 1 1 89 89 VAL HG12 H 1 0.130 0.010 . 2 . . . . 90 VAL QG1 . 15627 1 985 . 1 1 89 89 VAL HG13 H 1 0.130 0.010 . 2 . . . . 90 VAL QG1 . 15627 1 986 . 1 1 89 89 VAL HG21 H 1 0.540 0.010 . 2 . . . . 90 VAL QG2 . 15627 1 987 . 1 1 89 89 VAL HG22 H 1 0.540 0.010 . 2 . . . . 90 VAL QG2 . 15627 1 988 . 1 1 89 89 VAL HG23 H 1 0.540 0.010 . 2 . . . . 90 VAL QG2 . 15627 1 989 . 1 1 89 89 VAL C C 13 175.873 0.020 . 1 . . . . 90 VAL C . 15627 1 990 . 1 1 89 89 VAL CA C 13 62.017 0.020 . 1 . . . . 90 VAL CA . 15627 1 991 . 1 1 89 89 VAL CB C 13 33.272 0.020 . 1 . . . . 90 VAL CB . 15627 1 992 . 1 1 89 89 VAL CG1 C 13 20.841 0.020 . 1 . . . . 90 VAL CG1 . 15627 1 993 . 1 1 89 89 VAL CG2 C 13 21.549 0.020 . 1 . . . . 90 VAL CG2 . 15627 1 994 . 1 1 89 89 VAL N N 15 123.842 0.020 . 1 . . . . 90 VAL N . 15627 1 995 . 1 1 90 90 GLY H H 1 8.466 0.010 . 1 . . . . 91 GLY H . 15627 1 996 . 1 1 90 90 GLY HA2 H 1 4.237 0.010 . 1 . . . . 91 GLY HA2 . 15627 1 997 . 1 1 90 90 GLY HA3 H 1 3.457 0.010 . 1 . . . . 91 GLY HA3 . 15627 1 998 . 1 1 90 90 GLY C C 13 173.068 0.020 . 1 . . . . 91 GLY C . 15627 1 999 . 1 1 90 90 GLY CA C 13 44.882 0.020 . 1 . . . . 91 GLY CA . 15627 1 1000 . 1 1 90 90 GLY N N 15 115.237 0.020 . 1 . . . . 91 GLY N . 15627 1 1001 . 1 1 91 91 GLU H H 1 7.139 0.010 . 1 . . . . 92 GLU H . 15627 1 1002 . 1 1 91 91 GLU HA H 1 4.715 0.010 . 1 . . . . 92 GLU HA . 15627 1 1003 . 1 1 91 91 GLU HB2 H 1 1.825 0.010 . 2 . . . . 92 GLU QB . 15627 1 1004 . 1 1 91 91 GLU HB3 H 1 1.825 0.010 . 2 . . . . 92 GLU QB . 15627 1 1005 . 1 1 91 91 GLU HG2 H 1 2.026 0.010 . 2 . . . . 92 GLU QG . 15627 1 1006 . 1 1 91 91 GLU HG3 H 1 2.026 0.010 . 2 . . . . 92 GLU QG . 15627 1 1007 . 1 1 91 91 GLU C C 13 173.013 0.020 . 1 . . . . 92 GLU C . 15627 1 1008 . 1 1 91 91 GLU CA C 13 53.699 0.020 . 1 . . . . 92 GLU CA . 15627 1 1009 . 1 1 91 91 GLU CB C 13 31.002 0.020 . 1 . . . . 92 GLU CB . 15627 1 1010 . 1 1 91 91 GLU CG C 13 35.590 0.020 . 1 . . . . 92 GLU CG . 15627 1 1011 . 1 1 91 91 GLU N N 15 119.773 0.020 . 1 . . . . 92 GLU N . 15627 1 1012 . 1 1 92 92 PRO HA H 1 4.507 0.010 . 1 . . . . 93 PRO HA . 15627 1 1013 . 1 1 92 92 PRO HB2 H 1 2.018 0.010 . 1 . . . . 93 PRO HB2 . 15627 1 1014 . 1 1 92 92 PRO HB3 H 1 1.556 0.010 . 1 . . . . 93 PRO HB3 . 15627 1 1015 . 1 1 92 92 PRO HD2 H 1 3.440 0.010 . 2 . . . . 93 PRO QD . 15627 1 1016 . 1 1 92 92 PRO HD3 H 1 3.440 0.010 . 2 . . . . 93 PRO QD . 15627 1 1017 . 1 1 92 92 PRO HG2 H 1 1.863 0.010 . 2 . . . . 93 PRO QG . 15627 1 1018 . 1 1 92 92 PRO HG3 H 1 1.863 0.010 . 2 . . . . 93 PRO QG . 15627 1 1019 . 1 1 92 92 PRO C C 13 175.231 0.020 . 1 . . . . 93 PRO C . 15627 1 1020 . 1 1 92 92 PRO CA C 13 62.928 0.020 . 1 . . . . 93 PRO CA . 15627 1 1021 . 1 1 92 92 PRO CB C 13 32.422 0.020 . 1 . . . . 93 PRO CB . 15627 1 1022 . 1 1 92 92 PRO CD C 13 50.894 0.020 . 1 . . . . 93 PRO CD . 15627 1 1023 . 1 1 92 92 PRO CG C 13 27.434 0.020 . 1 . . . . 93 PRO CG . 15627 1 1024 . 1 1 93 93 TYR H H 1 8.019 0.010 . 1 . . . . 94 TYR H . 15627 1 1025 . 1 1 93 93 TYR HA H 1 4.844 0.010 . 1 . . . . 94 TYR HA . 15627 1 1026 . 1 1 93 93 TYR HB2 H 1 2.683 0.010 . 2 . . . . 94 TYR QB . 15627 1 1027 . 1 1 93 93 TYR HB3 H 1 2.683 0.010 . 2 . . . . 94 TYR QB . 15627 1 1028 . 1 1 93 93 TYR C C 13 172.287 0.020 . 1 . . . . 94 TYR C . 15627 1 1029 . 1 1 93 93 TYR CA C 13 55.882 0.020 . 1 . . . . 94 TYR CA . 15627 1 1030 . 1 1 93 93 TYR CB C 13 41.303 0.020 . 1 . . . . 94 TYR CB . 15627 1 1031 . 1 1 93 93 TYR N N 15 116.912 0.020 . 1 . . . . 94 TYR N . 15627 1 1032 . 1 1 94 94 LYS H H 1 8.181 0.010 . 1 . . . . 95 LYS H . 15627 1 1033 . 1 1 94 94 LYS HA H 1 4.974 0.010 . 1 . . . . 95 LYS HA . 15627 1 1034 . 1 1 94 94 LYS HB2 H 1 1.631 0.010 . 2 . . . . 95 LYS QB . 15627 1 1035 . 1 1 94 94 LYS HB3 H 1 1.631 0.010 . 2 . . . . 95 LYS QB . 15627 1 1036 . 1 1 94 94 LYS HD2 H 1 1.359 0.010 . 2 . . . . 95 LYS QD . 15627 1 1037 . 1 1 94 94 LYS HD3 H 1 1.359 0.010 . 2 . . . . 95 LYS QD . 15627 1 1038 . 1 1 94 94 LYS HE2 H 1 2.703 0.010 . 2 . . . . 95 LYS QE . 15627 1 1039 . 1 1 94 94 LYS HE3 H 1 2.703 0.010 . 2 . . . . 95 LYS QE . 15627 1 1040 . 1 1 94 94 LYS HG2 H 1 1.247 0.010 . 2 . . . . 95 LYS QG . 15627 1 1041 . 1 1 94 94 LYS HG3 H 1 1.247 0.010 . 2 . . . . 95 LYS QG . 15627 1 1042 . 1 1 94 94 LYS C C 13 175.205 0.020 . 1 . . . . 95 LYS C . 15627 1 1043 . 1 1 94 94 LYS CA C 13 53.986 0.020 . 1 . . . . 95 LYS CA . 15627 1 1044 . 1 1 94 94 LYS CB C 13 35.308 0.020 . 1 . . . . 95 LYS CB . 15627 1 1045 . 1 1 94 94 LYS CD C 13 28.374 0.020 . 1 . . . . 95 LYS CD . 15627 1 1046 . 1 1 94 94 LYS CE C 13 41.590 0.020 . 1 . . . . 95 LYS CE . 15627 1 1047 . 1 1 94 94 LYS CG C 13 24.214 0.020 . 1 . . . . 95 LYS CG . 15627 1 1048 . 1 1 94 94 LYS N N 15 119.916 0.020 . 1 . . . . 95 LYS N . 15627 1 1049 . 1 1 95 95 LEU H H 1 8.874 0.010 . 1 . . . . 96 LEU H . 15627 1 1050 . 1 1 95 95 LEU HA H 1 4.900 0.010 . 1 . . . . 96 LEU HA . 15627 1 1051 . 1 1 95 95 LEU HB2 H 1 1.472 0.010 . 1 . . . . 96 LEU HB2 . 15627 1 1052 . 1 1 95 95 LEU HB3 H 1 1.199 0.010 . 1 . . . . 96 LEU HB3 . 15627 1 1053 . 1 1 95 95 LEU HD11 H 1 0.339 0.010 . 2 . . . . 96 LEU QD1 . 15627 1 1054 . 1 1 95 95 LEU HD12 H 1 0.339 0.010 . 2 . . . . 96 LEU QD1 . 15627 1 1055 . 1 1 95 95 LEU HD13 H 1 0.339 0.010 . 2 . . . . 96 LEU QD1 . 15627 1 1056 . 1 1 95 95 LEU HD21 H 1 0.429 0.010 . 2 . . . . 96 LEU QD2 . 15627 1 1057 . 1 1 95 95 LEU HD22 H 1 0.429 0.010 . 2 . . . . 96 LEU QD2 . 15627 1 1058 . 1 1 95 95 LEU HD23 H 1 0.429 0.010 . 2 . . . . 96 LEU QD2 . 15627 1 1059 . 1 1 95 95 LEU HG H 1 1.241 0.010 . 1 . . . . 96 LEU HG . 15627 1 1060 . 1 1 95 95 LEU C C 13 174.427 0.020 . 1 . . . . 96 LEU C . 15627 1 1061 . 1 1 95 95 LEU CA C 13 53.694 0.020 . 1 . . . . 96 LEU CA . 15627 1 1062 . 1 1 95 95 LEU CB C 13 46.017 0.020 . 1 . . . . 96 LEU CB . 15627 1 1063 . 1 1 95 95 LEU CD1 C 13 26.138 0.020 . 1 . . . . 96 LEU CD1 . 15627 1 1064 . 1 1 95 95 LEU CD2 C 13 24.971 0.020 . 1 . . . . 96 LEU CD2 . 15627 1 1065 . 1 1 95 95 LEU CG C 13 28.014 0.020 . 1 . . . . 96 LEU CG . 15627 1 1066 . 1 1 95 95 LEU N N 15 128.138 0.020 . 1 . . . . 96 LEU N . 15627 1 1067 . 1 1 96 96 VAL H H 1 9.228 0.010 . 1 . . . . 97 VAL H . 15627 1 1068 . 1 1 96 96 VAL HA H 1 4.582 0.010 . 1 . . . . 97 VAL HA . 15627 1 1069 . 1 1 96 96 VAL HB H 1 1.714 0.010 . 1 . . . . 97 VAL HB . 15627 1 1070 . 1 1 96 96 VAL HG11 H 1 0.673 0.010 . 2 . . . . 97 VAL QG1 . 15627 1 1071 . 1 1 96 96 VAL HG12 H 1 0.673 0.010 . 2 . . . . 97 VAL QG1 . 15627 1 1072 . 1 1 96 96 VAL HG13 H 1 0.673 0.010 . 2 . . . . 97 VAL QG1 . 15627 1 1073 . 1 1 96 96 VAL HG21 H 1 0.620 0.010 . 2 . . . . 97 VAL QG2 . 15627 1 1074 . 1 1 96 96 VAL HG22 H 1 0.620 0.010 . 2 . . . . 97 VAL QG2 . 15627 1 1075 . 1 1 96 96 VAL HG23 H 1 0.620 0.010 . 2 . . . . 97 VAL QG2 . 15627 1 1076 . 1 1 96 96 VAL C C 13 175.235 0.020 . 1 . . . . 97 VAL C . 15627 1 1077 . 1 1 96 96 VAL CA C 13 61.962 0.020 . 1 . . . . 97 VAL CA . 15627 1 1078 . 1 1 96 96 VAL CB C 13 32.850 0.020 . 1 . . . . 97 VAL CB . 15627 1 1079 . 1 1 96 96 VAL CG1 C 13 20.576 0.020 . 1 . . . . 97 VAL CG1 . 15627 1 1080 . 1 1 96 96 VAL CG2 C 13 20.796 0.020 . 1 . . . . 97 VAL CG2 . 15627 1 1081 . 1 1 96 96 VAL N N 15 127.406 0.020 . 1 . . . . 97 VAL N . 15627 1 1082 . 1 1 97 97 LEU H H 1 9.163 0.010 . 1 . . . . 98 LEU H . 15627 1 1083 . 1 1 97 97 LEU HA H 1 5.217 0.010 . 1 . . . . 98 LEU HA . 15627 1 1084 . 1 1 97 97 LEU HB2 H 1 1.888 0.010 . 1 . . . . 98 LEU HB2 . 15627 1 1085 . 1 1 97 97 LEU HB3 H 1 1.491 0.010 . 1 . . . . 98 LEU HB3 . 15627 1 1086 . 1 1 97 97 LEU HD11 H 1 0.690 0.010 . 2 . . . . 98 LEU QD1 . 15627 1 1087 . 1 1 97 97 LEU HD12 H 1 0.690 0.010 . 2 . . . . 98 LEU QD1 . 15627 1 1088 . 1 1 97 97 LEU HD13 H 1 0.690 0.010 . 2 . . . . 98 LEU QD1 . 15627 1 1089 . 1 1 97 97 LEU HD21 H 1 0.759 0.010 . 2 . . . . 98 LEU QD2 . 15627 1 1090 . 1 1 97 97 LEU HD22 H 1 0.759 0.010 . 2 . . . . 98 LEU QD2 . 15627 1 1091 . 1 1 97 97 LEU HD23 H 1 0.759 0.010 . 2 . . . . 98 LEU QD2 . 15627 1 1092 . 1 1 97 97 LEU HG H 1 1.663 0.010 . 1 . . . . 98 LEU HG . 15627 1 1093 . 1 1 97 97 LEU C C 13 174.728 0.020 . 1 . . . . 98 LEU C . 15627 1 1094 . 1 1 97 97 LEU CA C 13 52.906 0.020 . 1 . . . . 98 LEU CA . 15627 1 1095 . 1 1 97 97 LEU CB C 13 45.947 0.020 . 1 . . . . 98 LEU CB . 15627 1 1096 . 1 1 97 97 LEU CD1 C 13 25.536 0.020 . 1 . . . . 98 LEU CD1 . 15627 1 1097 . 1 1 97 97 LEU CD2 C 13 25.443 0.020 . 1 . . . . 98 LEU CD2 . 15627 1 1098 . 1 1 97 97 LEU CG C 13 27.117 0.020 . 1 . . . . 98 LEU CG . 15627 1 1099 . 1 1 97 97 LEU N N 15 132.615 0.020 . 1 . . . . 98 LEU N . 15627 1 1100 . 1 1 98 98 THR H H 1 9.355 0.010 . 1 . . . . 99 THR H . 15627 1 1101 . 1 1 98 98 THR HA H 1 5.797 0.010 . 1 . . . . 99 THR HA . 15627 1 1102 . 1 1 98 98 THR HB H 1 3.605 0.010 . 1 . . . . 99 THR HB . 15627 1 1103 . 1 1 98 98 THR HG21 H 1 1.072 0.010 . 1 . . . . 99 THR QG2 . 15627 1 1104 . 1 1 98 98 THR HG22 H 1 1.072 0.010 . 1 . . . . 99 THR QG2 . 15627 1 1105 . 1 1 98 98 THR HG23 H 1 1.072 0.010 . 1 . . . . 99 THR QG2 . 15627 1 1106 . 1 1 98 98 THR C C 13 173.562 0.020 . 1 . . . . 99 THR C . 15627 1 1107 . 1 1 98 98 THR CA C 13 61.301 0.020 . 1 . . . . 99 THR CA . 15627 1 1108 . 1 1 98 98 THR CB C 13 71.159 0.020 . 1 . . . . 99 THR CB . 15627 1 1109 . 1 1 98 98 THR CG2 C 13 21.457 0.020 . 1 . . . . 99 THR CG2 . 15627 1 1110 . 1 1 98 98 THR N N 15 124.620 0.020 . 1 . . . . 99 THR N . 15627 1 1111 . 1 1 99 99 TYR H H 1 8.110 0.010 . 1 . . . . 100 TYR H . 15627 1 1112 . 1 1 99 99 TYR HA H 1 4.843 0.010 . 1 . . . . 100 TYR HA . 15627 1 1113 . 1 1 99 99 TYR HB2 H 1 2.874 0.010 . 1 . . . . 100 TYR HB2 . 15627 1 1114 . 1 1 99 99 TYR HB3 H 1 2.201 0.010 . 1 . . . . 100 TYR HB3 . 15627 1 1115 . 1 1 99 99 TYR HD1 H 1 6.341 0.010 . 1 . . . . 100 TYR QD . 15627 1 1116 . 1 1 99 99 TYR HD2 H 1 6.341 0.010 . 1 . . . . 100 TYR QD . 15627 1 1117 . 1 1 99 99 TYR HE1 H 1 6.573 0.010 . 1 . . . . 100 TYR QE . 15627 1 1118 . 1 1 99 99 TYR HE2 H 1 6.573 0.010 . 1 . . . . 100 TYR QE . 15627 1 1119 . 1 1 99 99 TYR C C 13 172.980 0.020 . 1 . . . . 100 TYR C . 15627 1 1120 . 1 1 99 99 TYR CA C 13 55.533 0.020 . 1 . . . . 100 TYR CA . 15627 1 1121 . 1 1 99 99 TYR CB C 13 38.859 0.020 . 1 . . . . 100 TYR CB . 15627 1 1122 . 1 1 99 99 TYR CD1 C 13 133.516 0.020 . 1 . . . . 100 TYR CD1 . 15627 1 1123 . 1 1 99 99 TYR CD2 C 13 133.516 0.020 . 1 . . . . 100 TYR CD2 . 15627 1 1124 . 1 1 99 99 TYR CE1 C 13 117.280 0.020 . 1 . . . . 100 TYR CE1 . 15627 1 1125 . 1 1 99 99 TYR CE2 C 13 117.280 0.020 . 1 . . . . 100 TYR CE2 . 15627 1 1126 . 1 1 99 99 TYR N N 15 119.343 0.020 . 1 . . . . 100 TYR N . 15627 1 1127 . 1 1 100 100 GLN H H 1 7.613 0.010 . 1 . . . . 101 GLN H . 15627 1 1128 . 1 1 100 100 GLN HA H 1 4.953 0.010 . 1 . . . . 101 GLN HA . 15627 1 1129 . 1 1 100 100 GLN HB2 H 1 1.563 0.010 . 2 . . . . 101 GLN QB . 15627 1 1130 . 1 1 100 100 GLN HB3 H 1 1.563 0.010 . 2 . . . . 101 GLN QB . 15627 1 1131 . 1 1 100 100 GLN HG2 H 1 2.142 0.010 . 2 . . . . 101 GLN QG . 15627 1 1132 . 1 1 100 100 GLN HG3 H 1 2.142 0.010 . 2 . . . . 101 GLN QG . 15627 1 1133 . 1 1 100 100 GLN C C 13 174.042 0.020 . 1 . . . . 101 GLN C . 15627 1 1134 . 1 1 100 100 GLN CA C 13 54.319 0.020 . 1 . . . . 101 GLN CA . 15627 1 1135 . 1 1 100 100 GLN CB C 13 32.835 0.020 . 1 . . . . 101 GLN CB . 15627 1 1136 . 1 1 100 100 GLN CG C 13 32.796 0.020 . 1 . . . . 101 GLN CG . 15627 1 1137 . 1 1 100 100 GLN N N 15 118.130 0.020 . 1 . . . . 101 GLN N . 15627 1 1138 . 1 1 101 101 GLY H H 1 7.897 0.010 . 1 . . . . 102 GLY H . 15627 1 1139 . 1 1 101 101 GLY HA2 H 1 4.054 0.010 . 1 . . . . 102 GLY HA2 . 15627 1 1140 . 1 1 101 101 GLY HA3 H 1 3.430 0.010 . 1 . . . . 102 GLY HA3 . 15627 1 1141 . 1 1 101 101 GLY C C 13 169.565 0.020 . 1 . . . . 102 GLY C . 15627 1 1142 . 1 1 101 101 GLY CA C 13 45.955 0.020 . 1 . . . . 102 GLY CA . 15627 1 1143 . 1 1 101 101 GLY N N 15 115.463 0.020 . 1 . . . . 102 GLY N . 15627 1 1144 . 1 1 102 102 SER H H 1 7.984 0.010 . 1 . . . . 103 SER H . 15627 1 1145 . 1 1 102 102 SER HA H 1 5.110 0.010 . 1 . . . . 103 SER HA . 15627 1 1146 . 1 1 102 102 SER HB2 H 1 2.414 0.010 . 2 . . . . 103 SER QB . 15627 1 1147 . 1 1 102 102 SER HB3 H 1 2.414 0.010 . 2 . . . . 103 SER QB . 15627 1 1148 . 1 1 102 102 SER C C 13 171.829 0.020 . 1 . . . . 103 SER C . 15627 1 1149 . 1 1 102 102 SER CA C 13 57.453 0.020 . 1 . . . . 103 SER CA . 15627 1 1150 . 1 1 102 102 SER CB C 13 68.453 0.020 . 1 . . . . 103 SER CB . 15627 1 1151 . 1 1 102 102 SER N N 15 112.593 0.020 . 1 . . . . 103 SER N . 15627 1 1152 . 1 1 103 103 ALA H H 1 9.073 0.010 . 1 . . . . 104 ALA H . 15627 1 1153 . 1 1 103 103 ALA HA H 1 4.515 0.010 . 1 . . . . 104 ALA HA . 15627 1 1154 . 1 1 103 103 ALA HB1 H 1 1.270 0.010 . 1 . . . . 104 ALA QB . 15627 1 1155 . 1 1 103 103 ALA HB2 H 1 1.270 0.010 . 1 . . . . 104 ALA QB . 15627 1 1156 . 1 1 103 103 ALA HB3 H 1 1.270 0.010 . 1 . . . . 104 ALA QB . 15627 1 1157 . 1 1 103 103 ALA C C 13 179.956 0.020 . 1 . . . . 104 ALA C . 15627 1 1158 . 1 1 103 103 ALA CA C 13 49.946 0.020 . 1 . . . . 104 ALA CA . 15627 1 1159 . 1 1 103 103 ALA CB C 13 20.963 0.020 . 1 . . . . 104 ALA CB . 15627 1 1160 . 1 1 103 103 ALA N N 15 122.619 0.020 . 1 . . . . 104 ALA N . 15627 1 1161 . 1 1 104 104 GLU H H 1 8.834 0.010 . 1 . . . . 105 GLU H . 15627 1 1162 . 1 1 104 104 GLU HA H 1 4.141 0.010 . 1 . . . . 105 GLU HA . 15627 1 1163 . 1 1 104 104 GLU HB2 H 1 1.971 0.010 . 1 . . . . 105 GLU HB2 . 15627 1 1164 . 1 1 104 104 GLU HB3 H 1 1.726 0.010 . 1 . . . . 105 GLU HB3 . 15627 1 1165 . 1 1 104 104 GLU HG2 H 1 2.093 0.010 . 1 . . . . 105 GLU HG2 . 15627 1 1166 . 1 1 104 104 GLU HG3 H 1 2.269 0.010 . 1 . . . . 105 GLU HG3 . 15627 1 1167 . 1 1 104 104 GLU C C 13 177.094 0.020 . 1 . . . . 105 GLU C . 15627 1 1168 . 1 1 104 104 GLU CA C 13 59.025 0.020 . 1 . . . . 105 GLU CA . 15627 1 1169 . 1 1 104 104 GLU CB C 13 28.994 0.020 . 1 . . . . 105 GLU CB . 15627 1 1170 . 1 1 104 104 GLU CG C 13 36.008 0.020 . 1 . . . . 105 GLU CG . 15627 1 1171 . 1 1 104 104 GLU N N 15 126.491 0.020 . 1 . . . . 105 GLU N . 15627 1 1172 . 1 1 105 105 ALA H H 1 7.886 0.010 . 1 . . . . 106 ALA H . 15627 1 1173 . 1 1 105 105 ALA HA H 1 4.086 0.010 . 1 . . . . 106 ALA HA . 15627 1 1174 . 1 1 105 105 ALA HB1 H 1 1.193 0.010 . 1 . . . . 106 ALA QB . 15627 1 1175 . 1 1 105 105 ALA HB2 H 1 1.193 0.010 . 1 . . . . 106 ALA QB . 15627 1 1176 . 1 1 105 105 ALA HB3 H 1 1.193 0.010 . 1 . . . . 106 ALA QB . 15627 1 1177 . 1 1 105 105 ALA C C 13 177.285 0.020 . 1 . . . . 106 ALA C . 15627 1 1178 . 1 1 105 105 ALA CA C 13 53.452 0.020 . 1 . . . . 106 ALA CA . 15627 1 1179 . 1 1 105 105 ALA CB C 13 18.780 0.020 . 1 . . . . 106 ALA CB . 15627 1 1180 . 1 1 105 105 ALA N N 15 118.935 0.020 . 1 . . . . 106 ALA N . 15627 1 1181 . 1 1 106 106 GLY H H 1 7.882 0.010 . 1 . . . . 107 GLY H . 15627 1 1182 . 1 1 106 106 GLY HA2 H 1 4.276 0.010 . 1 . . . . 107 GLY HA2 . 15627 1 1183 . 1 1 106 106 GLY HA3 H 1 3.833 0.010 . 1 . . . . 107 GLY HA3 . 15627 1 1184 . 1 1 106 106 GLY C C 13 173.470 0.020 . 1 . . . . 107 GLY C . 15627 1 1185 . 1 1 106 106 GLY CA C 13 46.104 0.020 . 1 . . . . 107 GLY CA . 15627 1 1186 . 1 1 106 106 GLY N N 15 104.786 0.020 . 1 . . . . 107 GLY N . 15627 1 1187 . 1 1 107 107 VAL H H 1 6.717 0.010 . 1 . . . . 108 VAL H . 15627 1 1188 . 1 1 107 107 VAL HA H 1 4.011 0.010 . 1 . . . . 108 VAL HA . 15627 1 1189 . 1 1 107 107 VAL HB H 1 1.438 0.010 . 1 . . . . 108 VAL HB . 15627 1 1190 . 1 1 107 107 VAL HG11 H 1 0.345 0.010 . 2 . . . . 108 VAL QG1 . 15627 1 1191 . 1 1 107 107 VAL HG12 H 1 0.345 0.010 . 2 . . . . 108 VAL QG1 . 15627 1 1192 . 1 1 107 107 VAL HG13 H 1 0.345 0.010 . 2 . . . . 108 VAL QG1 . 15627 1 1193 . 1 1 107 107 VAL HG21 H 1 0.590 0.010 . 2 . . . . 108 VAL QG2 . 15627 1 1194 . 1 1 107 107 VAL HG22 H 1 0.590 0.010 . 2 . . . . 108 VAL QG2 . 15627 1 1195 . 1 1 107 107 VAL HG23 H 1 0.590 0.010 . 2 . . . . 108 VAL QG2 . 15627 1 1196 . 1 1 107 107 VAL C C 13 172.173 0.020 . 1 . . . . 108 VAL C . 15627 1 1197 . 1 1 107 107 VAL CA C 13 61.120 0.020 . 1 . . . . 108 VAL CA . 15627 1 1198 . 1 1 107 107 VAL CB C 13 35.891 0.020 . 1 . . . . 108 VAL CB . 15627 1 1199 . 1 1 107 107 VAL CG1 C 13 20.392 0.020 . 1 . . . . 108 VAL CG1 . 15627 1 1200 . 1 1 107 107 VAL CG2 C 13 20.861 0.020 . 1 . . . . 108 VAL CG2 . 15627 1 1201 . 1 1 107 107 VAL N N 15 119.615 0.020 . 1 . . . . 108 VAL N . 15627 1 1202 . 1 1 108 108 CYS H H 1 8.041 0.010 . 1 . . . . 109 CYS H . 15627 1 1203 . 1 1 108 108 CYS HA H 1 4.686 0.010 . 1 . . . . 109 CYS HA . 15627 1 1204 . 1 1 108 108 CYS HB2 H 1 1.596 0.010 . 2 . . . . 109 CYS QB . 15627 1 1205 . 1 1 108 108 CYS HB3 H 1 1.596 0.010 . 2 . . . . 109 CYS QB . 15627 1 1206 . 1 1 108 108 CYS C C 13 175.530 0.020 . 1 . . . . 109 CYS C . 15627 1 1207 . 1 1 108 108 CYS CA C 13 56.394 0.020 . 1 . . . . 109 CYS CA . 15627 1 1208 . 1 1 108 108 CYS CB C 13 26.026 0.020 . 1 . . . . 109 CYS CB . 15627 1 1209 . 1 1 108 108 CYS N N 15 129.407 0.020 . 1 . . . . 109 CYS N . 15627 1 1210 . 1 1 109 109 TYR H H 1 8.441 0.010 . 1 . . . . 110 TYR H . 15627 1 1211 . 1 1 109 109 TYR HA H 1 4.618 0.010 . 1 . . . . 110 TYR HA . 15627 1 1212 . 1 1 109 109 TYR HB2 H 1 3.331 0.010 . 1 . . . . 110 TYR HB2 . 15627 1 1213 . 1 1 109 109 TYR HB3 H 1 2.886 0.010 . 1 . . . . 110 TYR HB3 . 15627 1 1214 . 1 1 109 109 TYR HD1 H 1 7.096 0.010 . 1 . . . . 110 TYR QD . 15627 1 1215 . 1 1 109 109 TYR HD2 H 1 7.096 0.010 . 1 . . . . 110 TYR QD . 15627 1 1216 . 1 1 109 109 TYR HE1 H 1 6.665 0.010 . 1 . . . . 110 TYR QE . 15627 1 1217 . 1 1 109 109 TYR HE2 H 1 6.665 0.010 . 1 . . . . 110 TYR QE . 15627 1 1218 . 1 1 109 109 TYR C C 13 173.050 0.020 . 1 . . . . 110 TYR C . 15627 1 1219 . 1 1 109 109 TYR CA C 13 56.919 0.020 . 1 . . . . 110 TYR CA . 15627 1 1220 . 1 1 109 109 TYR CB C 13 37.165 0.020 . 1 . . . . 110 TYR CB . 15627 1 1221 . 1 1 109 109 TYR CD1 C 13 131.936 0.020 . 1 . . . . 110 TYR CD1 . 15627 1 1222 . 1 1 109 109 TYR CD2 C 13 131.936 0.020 . 1 . . . . 110 TYR CD2 . 15627 1 1223 . 1 1 109 109 TYR CE1 C 13 119.186 0.020 . 1 . . . . 110 TYR CE1 . 15627 1 1224 . 1 1 109 109 TYR CE2 C 13 119.186 0.020 . 1 . . . . 110 TYR CE2 . 15627 1 1225 . 1 1 109 109 TYR N N 15 131.931 0.020 . 1 . . . . 110 TYR N . 15627 1 1226 . 1 1 111 111 PRO HA H 1 4.222 0.010 . 1 . . . . 112 PRO HA . 15627 1 1227 . 1 1 111 111 PRO HB2 H 1 1.594 0.010 . 1 . . . . 112 PRO HB2 . 15627 1 1228 . 1 1 111 111 PRO HB3 H 1 1.744 0.010 . 1 . . . . 112 PRO HB3 . 15627 1 1229 . 1 1 111 111 PRO HD2 H 1 3.537 0.010 . 1 . . . . 112 PRO HD2 . 15627 1 1230 . 1 1 111 111 PRO HD3 H 1 3.397 0.010 . 1 . . . . 112 PRO HD3 . 15627 1 1231 . 1 1 111 111 PRO C C 13 175.721 0.020 . 1 . . . . 112 PRO C . 15627 1 1232 . 1 1 111 111 PRO CA C 13 62.579 0.020 . 1 . . . . 112 PRO CA . 15627 1 1233 . 1 1 111 111 PRO CB C 13 31.438 0.020 . 1 . . . . 112 PRO CB . 15627 1 1234 . 1 1 111 111 PRO CD C 13 49.966 0.020 . 1 . . . . 112 PRO CD . 15627 1 1235 . 1 1 112 112 VAL H H 1 8.415 0.010 . 1 . . . . 113 VAL H . 15627 1 1236 . 1 1 112 112 VAL HA H 1 3.836 0.010 . 1 . . . . 113 VAL HA . 15627 1 1237 . 1 1 112 112 VAL HB H 1 0.931 0.010 . 1 . . . . 113 VAL HB . 15627 1 1238 . 1 1 112 112 VAL HG11 H 1 0.571 0.010 . 2 . . . . 113 VAL QG1 . 15627 1 1239 . 1 1 112 112 VAL HG12 H 1 0.571 0.010 . 2 . . . . 113 VAL QG1 . 15627 1 1240 . 1 1 112 112 VAL HG13 H 1 0.571 0.010 . 2 . . . . 113 VAL QG1 . 15627 1 1241 . 1 1 112 112 VAL HG21 H 1 0.571 0.010 . 2 . . . . 113 VAL QG2 . 15627 1 1242 . 1 1 112 112 VAL HG22 H 1 0.571 0.010 . 2 . . . . 113 VAL QG2 . 15627 1 1243 . 1 1 112 112 VAL HG23 H 1 0.571 0.010 . 2 . . . . 113 VAL QG2 . 15627 1 1244 . 1 1 112 112 VAL C C 13 172.936 0.020 . 1 . . . . 113 VAL C . 15627 1 1245 . 1 1 112 112 VAL CA C 13 60.911 0.020 . 1 . . . . 113 VAL CA . 15627 1 1246 . 1 1 112 112 VAL CB C 13 34.843 0.020 . 1 . . . . 113 VAL CB . 15627 1 1247 . 1 1 112 112 VAL CG1 C 13 21.204 0.020 . 1 . . . . 113 VAL CG1 . 15627 1 1248 . 1 1 112 112 VAL CG2 C 13 21.204 0.020 . 1 . . . . 113 VAL CG2 . 15627 1 1249 . 1 1 112 112 VAL N N 15 124.149 0.020 . 1 . . . . 113 VAL N . 15627 1 1250 . 1 1 113 113 ASP H H 1 7.696 0.010 . 1 . . . . 114 ASP H . 15627 1 1251 . 1 1 113 113 ASP HA H 1 5.440 0.010 . 1 . . . . 114 ASP HA . 15627 1 1252 . 1 1 113 113 ASP HB2 H 1 2.040 0.010 . 1 . . . . 114 ASP HB2 . 15627 1 1253 . 1 1 113 113 ASP HB3 H 1 2.277 0.010 . 1 . . . . 114 ASP HB3 . 15627 1 1254 . 1 1 113 113 ASP C C 13 176.565 0.020 . 1 . . . . 114 ASP C . 15627 1 1255 . 1 1 113 113 ASP CA C 13 51.971 0.020 . 1 . . . . 114 ASP CA . 15627 1 1256 . 1 1 113 113 ASP CB C 13 43.221 0.020 . 1 . . . . 114 ASP CB . 15627 1 1257 . 1 1 113 113 ASP N N 15 122.083 0.020 . 1 . . . . 114 ASP N . 15627 1 1258 . 1 1 114 114 THR H H 1 9.301 0.010 . 1 . . . . 115 THR H . 15627 1 1259 . 1 1 114 114 THR HA H 1 4.315 0.010 . 1 . . . . 115 THR HA . 15627 1 1260 . 1 1 114 114 THR HB H 1 3.806 0.010 . 1 . . . . 115 THR HB . 15627 1 1261 . 1 1 114 114 THR HG21 H 1 0.779 0.010 . 1 . . . . 115 THR QG2 . 15627 1 1262 . 1 1 114 114 THR HG22 H 1 0.779 0.010 . 1 . . . . 115 THR QG2 . 15627 1 1263 . 1 1 114 114 THR HG23 H 1 0.779 0.010 . 1 . . . . 115 THR QG2 . 15627 1 1264 . 1 1 114 114 THR C C 13 171.978 0.020 . 1 . . . . 115 THR C . 15627 1 1265 . 1 1 114 114 THR CA C 13 62.342 0.020 . 1 . . . . 115 THR CA . 15627 1 1266 . 1 1 114 114 THR CB C 13 71.246 0.020 . 1 . . . . 115 THR CB . 15627 1 1267 . 1 1 114 114 THR CG2 C 13 23.350 0.020 . 1 . . . . 115 THR CG2 . 15627 1 1268 . 1 1 114 114 THR N N 15 121.136 0.020 . 1 . . . . 115 THR N . 15627 1 1269 . 1 1 115 115 GLU H H 1 8.419 0.010 . 1 . . . . 116 GLU H . 15627 1 1270 . 1 1 115 115 GLU HA H 1 5.034 0.010 . 1 . . . . 116 GLU HA . 15627 1 1271 . 1 1 115 115 GLU HB2 H 1 1.695 0.010 . 2 . . . . 116 GLU QB . 15627 1 1272 . 1 1 115 115 GLU HB3 H 1 1.695 0.010 . 2 . . . . 116 GLU QB . 15627 1 1273 . 1 1 115 115 GLU HG2 H 1 1.845 0.010 . 1 . . . . 116 GLU HG2 . 15627 1 1274 . 1 1 115 115 GLU HG3 H 1 1.934 0.010 . 1 . . . . 116 GLU HG3 . 15627 1 1275 . 1 1 115 115 GLU C C 13 174.805 0.020 . 1 . . . . 116 GLU C . 15627 1 1276 . 1 1 115 115 GLU CA C 13 54.770 0.020 . 1 . . . . 116 GLU CA . 15627 1 1277 . 1 1 115 115 GLU CB C 13 32.399 0.020 . 1 . . . . 116 GLU CB . 15627 1 1278 . 1 1 115 115 GLU CG C 13 36.618 0.020 . 1 . . . . 116 GLU CG . 15627 1 1279 . 1 1 115 115 GLU N N 15 127.486 0.020 . 1 . . . . 116 GLU N . 15627 1 1280 . 1 1 116 116 PHE H H 1 9.229 0.010 . 1 . . . . 117 PHE H . 15627 1 1281 . 1 1 116 116 PHE HA H 1 4.557 0.010 . 1 . . . . 117 PHE HA . 15627 1 1282 . 1 1 116 116 PHE HB2 H 1 2.430 0.010 . 1 . . . . 117 PHE HB2 . 15627 1 1283 . 1 1 116 116 PHE HB3 H 1 2.323 0.010 . 1 . . . . 117 PHE HB3 . 15627 1 1284 . 1 1 116 116 PHE HD1 H 1 6.944 0.010 . 1 . . . . 117 PHE QD . 15627 1 1285 . 1 1 116 116 PHE HD2 H 1 6.944 0.010 . 1 . . . . 117 PHE QD . 15627 1 1286 . 1 1 116 116 PHE HE1 H 1 6.656 0.010 . 1 . . . . 117 PHE QE . 15627 1 1287 . 1 1 116 116 PHE HE2 H 1 6.656 0.010 . 1 . . . . 117 PHE QE . 15627 1 1288 . 1 1 116 116 PHE HZ H 1 6.574 0.010 . 1 . . . . 117 PHE HZ . 15627 1 1289 . 1 1 116 116 PHE C C 13 173.876 0.020 . 1 . . . . 117 PHE C . 15627 1 1290 . 1 1 116 116 PHE CA C 13 56.354 0.020 . 1 . . . . 117 PHE CA . 15627 1 1291 . 1 1 116 116 PHE CB C 13 42.796 0.020 . 1 . . . . 117 PHE CB . 15627 1 1292 . 1 1 116 116 PHE CD1 C 13 132.553 0.020 . 1 . . . . 117 PHE CD1 . 15627 1 1293 . 1 1 116 116 PHE CD2 C 13 132.553 0.020 . 1 . . . . 117 PHE CD2 . 15627 1 1294 . 1 1 116 116 PHE CE1 C 13 129.667 0.020 . 1 . . . . 117 PHE CE1 . 15627 1 1295 . 1 1 116 116 PHE CE2 C 13 129.667 0.020 . 1 . . . . 117 PHE CE2 . 15627 1 1296 . 1 1 116 116 PHE CZ C 13 127.765 0.020 . 1 . . . . 117 PHE CZ . 15627 1 1297 . 1 1 116 116 PHE N N 15 121.576 0.020 . 1 . . . . 117 PHE N . 15627 1 1298 . 1 1 117 117 ASP H H 1 8.459 0.010 . 1 . . . . 118 ASP H . 15627 1 1299 . 1 1 117 117 ASP HA H 1 4.624 0.010 . 1 . . . . 118 ASP HA . 15627 1 1300 . 1 1 117 117 ASP HB2 H 1 2.388 0.010 . 2 . . . . 118 ASP QB . 15627 1 1301 . 1 1 117 117 ASP HB3 H 1 2.388 0.010 . 2 . . . . 118 ASP QB . 15627 1 1302 . 1 1 117 117 ASP C C 13 173.557 0.020 . 1 . . . . 118 ASP C . 15627 1 1303 . 1 1 117 117 ASP CA C 13 53.699 0.020 . 1 . . . . 118 ASP CA . 15627 1 1304 . 1 1 117 117 ASP CB C 13 41.408 0.020 . 1 . . . . 118 ASP CB . 15627 1 1305 . 1 1 117 117 ASP N N 15 124.885 0.020 . 1 . . . . 118 ASP N . 15627 1 1306 . 1 1 118 118 ILE H H 1 8.065 0.010 . 1 . . . . 119 ILE H . 15627 1 1307 . 1 1 118 118 ILE HA H 1 3.269 0.010 . 1 . . . . 119 ILE HA . 15627 1 1308 . 1 1 118 118 ILE HB H 1 0.221 0.010 . 1 . . . . 119 ILE HB . 15627 1 1309 . 1 1 118 118 ILE HD11 H 1 -0.372 0.010 . 1 . . . . 119 ILE QD1 . 15627 1 1310 . 1 1 118 118 ILE HD12 H 1 -0.372 0.010 . 1 . . . . 119 ILE QD1 . 15627 1 1311 . 1 1 118 118 ILE HD13 H 1 -0.372 0.010 . 1 . . . . 119 ILE QD1 . 15627 1 1312 . 1 1 118 118 ILE HG12 H 1 0.009 0.010 . 2 . . . . 119 ILE QG1 . 15627 1 1313 . 1 1 118 118 ILE HG13 H 1 0.009 0.010 . 2 . . . . 119 ILE QG1 . 15627 1 1314 . 1 1 118 118 ILE HG21 H 1 0.267 0.010 . 1 . . . . 119 ILE QG2 . 15627 1 1315 . 1 1 118 118 ILE HG22 H 1 0.267 0.010 . 1 . . . . 119 ILE QG2 . 15627 1 1316 . 1 1 118 118 ILE HG23 H 1 0.267 0.010 . 1 . . . . 119 ILE QG2 . 15627 1 1317 . 1 1 118 118 ILE C C 13 175.364 0.020 . 1 . . . . 119 ILE C . 15627 1 1318 . 1 1 118 118 ILE CA C 13 60.283 0.020 . 1 . . . . 119 ILE CA . 15627 1 1319 . 1 1 118 118 ILE CB C 13 36.764 0.020 . 1 . . . . 119 ILE CB . 15627 1 1320 . 1 1 118 118 ILE CD1 C 13 11.187 0.020 . 1 . . . . 119 ILE CD1 . 15627 1 1321 . 1 1 118 118 ILE CG1 C 13 26.528 0.020 . 1 . . . . 119 ILE CG1 . 15627 1 1322 . 1 1 118 118 ILE CG2 C 13 18.149 0.020 . 1 . . . . 119 ILE CG2 . 15627 1 1323 . 1 1 118 118 ILE N N 15 125.208 0.020 . 1 . . . . 119 ILE N . 15627 1 1324 . 1 1 119 119 PHE H H 1 7.396 0.010 . 1 . . . . 120 PHE H . 15627 1 1325 . 1 1 119 119 PHE HA H 1 4.493 0.010 . 1 . . . . 120 PHE HA . 15627 1 1326 . 1 1 119 119 PHE HB2 H 1 2.979 0.010 . 2 . . . . 120 PHE QB . 15627 1 1327 . 1 1 119 119 PHE HB3 H 1 2.979 0.010 . 2 . . . . 120 PHE QB . 15627 1 1328 . 1 1 119 119 PHE HD1 H 1 7.054 0.010 . 1 . . . . 120 PHE QD . 15627 1 1329 . 1 1 119 119 PHE HD2 H 1 7.054 0.010 . 1 . . . . 120 PHE QD . 15627 1 1330 . 1 1 119 119 PHE HE1 H 1 7.178 0.010 . 1 . . . . 120 PHE QE . 15627 1 1331 . 1 1 119 119 PHE HE2 H 1 7.178 0.010 . 1 . . . . 120 PHE QE . 15627 1 1332 . 1 1 119 119 PHE HZ H 1 7.120 0.010 . 1 . . . . 120 PHE HZ . 15627 1 1333 . 1 1 119 119 PHE C C 13 174.462 0.020 . 1 . . . . 120 PHE C . 15627 1 1334 . 1 1 119 119 PHE CA C 13 56.962 0.020 . 1 . . . . 120 PHE CA . 15627 1 1335 . 1 1 119 119 PHE CB C 13 38.861 0.020 . 1 . . . . 120 PHE CB . 15627 1 1336 . 1 1 119 119 PHE CD1 C 13 131.644 0.020 . 1 . . . . 120 PHE CD1 . 15627 1 1337 . 1 1 119 119 PHE CD2 C 13 131.644 0.020 . 1 . . . . 120 PHE CD2 . 15627 1 1338 . 1 1 119 119 PHE CE1 C 13 131.577 0.020 . 1 . . . . 120 PHE CE1 . 15627 1 1339 . 1 1 119 119 PHE CE2 C 13 131.577 0.020 . 1 . . . . 120 PHE CE2 . 15627 1 1340 . 1 1 119 119 PHE CZ C 13 129.559 0.020 . 1 . . . . 120 PHE CZ . 15627 1 1341 . 1 1 119 119 PHE N N 15 125.532 0.020 . 1 . . . . 120 PHE N . 15627 1 1342 . 1 1 120 120 GLY H H 1 7.375 0.010 . 1 . . . . 121 GLY H . 15627 1 1343 . 1 1 120 120 GLY HA2 H 1 4.058 0.010 . 1 . . . . 121 GLY HA2 . 15627 1 1344 . 1 1 120 120 GLY HA3 H 1 3.670 0.010 . 1 . . . . 121 GLY HA3 . 15627 1 1345 . 1 1 120 120 GLY C C 13 173.383 0.020 . 1 . . . . 121 GLY C . 15627 1 1346 . 1 1 120 120 GLY CA C 13 43.534 0.020 . 1 . . . . 121 GLY CA . 15627 1 1347 . 1 1 120 120 GLY N N 15 110.419 0.020 . 1 . . . . 121 GLY N . 15627 1 1348 . 1 1 121 121 ASN H H 1 8.423 0.010 . 1 . . . . 122 ASN H . 15627 1 1349 . 1 1 121 121 ASN HA H 1 4.272 0.010 . 1 . . . . 122 ASN HA . 15627 1 1350 . 1 1 121 121 ASN HB2 H 1 2.696 0.010 . 1 . . . . 122 ASN HB2 . 15627 1 1351 . 1 1 121 121 ASN HB3 H 1 2.471 0.010 . 1 . . . . 122 ASN HB3 . 15627 1 1352 . 1 1 121 121 ASN C C 13 176.026 0.020 . 1 . . . . 122 ASN C . 15627 1 1353 . 1 1 121 121 ASN CA C 13 53.699 0.020 . 1 . . . . 122 ASN CA . 15627 1 1354 . 1 1 121 121 ASN CB C 13 37.986 0.020 . 1 . . . . 122 ASN CB . 15627 1 1355 . 1 1 121 121 ASN N N 15 120.886 0.020 . 1 . . . . 122 ASN N . 15627 1 1356 . 1 1 122 122 GLY H H 1 8.477 0.010 . 1 . . . . 123 GLY H . 15627 1 1357 . 1 1 122 122 GLY HA2 H 1 4.248 0.010 . 1 . . . . 123 GLY HA2 . 15627 1 1358 . 1 1 122 122 GLY HA3 H 1 3.703 0.010 . 1 . . . . 123 GLY HA3 . 15627 1 1359 . 1 1 122 122 GLY C C 13 171.906 0.020 . 1 . . . . 123 GLY C . 15627 1 1360 . 1 1 122 122 GLY CA C 13 44.358 0.020 . 1 . . . . 123 GLY CA . 15627 1 1361 . 1 1 122 122 GLY N N 15 108.836 0.020 . 1 . . . . 123 GLY N . 15627 1 1362 . 1 1 123 123 THR H H 1 8.106 0.010 . 1 . . . . 124 THR H . 15627 1 1363 . 1 1 123 123 THR HA H 1 5.107 0.010 . 1 . . . . 124 THR HA . 15627 1 1364 . 1 1 123 123 THR HB H 1 3.678 0.010 . 1 . . . . 124 THR HB . 15627 1 1365 . 1 1 123 123 THR HG21 H 1 0.836 0.010 . 1 . . . . 124 THR QG2 . 15627 1 1366 . 1 1 123 123 THR HG22 H 1 0.836 0.010 . 1 . . . . 124 THR QG2 . 15627 1 1367 . 1 1 123 123 THR HG23 H 1 0.836 0.010 . 1 . . . . 124 THR QG2 . 15627 1 1368 . 1 1 123 123 THR C C 13 174.224 0.020 . 1 . . . . 124 THR C . 15627 1 1369 . 1 1 123 123 THR CA C 13 61.469 0.020 . 1 . . . . 124 THR CA . 15627 1 1370 . 1 1 123 123 THR CB C 13 70.036 0.020 . 1 . . . . 124 THR CB . 15627 1 1371 . 1 1 123 123 THR CG2 C 13 21.581 0.020 . 1 . . . . 124 THR CG2 . 15627 1 1372 . 1 1 123 123 THR N N 15 116.997 0.020 . 1 . . . . 124 THR N . 15627 1 1373 . 1 1 124 124 TYR H H 1 8.915 0.010 . 1 . . . . 125 TYR H . 15627 1 1374 . 1 1 124 124 TYR HA H 1 4.572 0.010 . 1 . . . . 125 TYR HA . 15627 1 1375 . 1 1 124 124 TYR HB2 H 1 2.270 0.010 . 1 . . . . 125 TYR HB2 . 15627 1 1376 . 1 1 124 124 TYR HB3 H 1 2.873 0.010 . 1 . . . . 125 TYR HB3 . 15627 1 1377 . 1 1 124 124 TYR HD1 H 1 6.898 0.010 . 1 . . . . 125 TYR QD . 15627 1 1378 . 1 1 124 124 TYR HD2 H 1 6.898 0.010 . 1 . . . . 125 TYR QD . 15627 1 1379 . 1 1 124 124 TYR HE1 H 1 6.616 0.010 . 1 . . . . 125 TYR QE . 15627 1 1380 . 1 1 124 124 TYR HE2 H 1 6.616 0.010 . 1 . . . . 125 TYR QE . 15627 1 1381 . 1 1 124 124 TYR C C 13 173.728 0.020 . 1 . . . . 125 TYR C . 15627 1 1382 . 1 1 124 124 TYR CA C 13 57.332 0.020 . 1 . . . . 125 TYR CA . 15627 1 1383 . 1 1 124 124 TYR CB C 13 41.652 0.020 . 1 . . . . 125 TYR CB . 15627 1 1384 . 1 1 124 124 TYR CD1 C 13 133.248 0.020 . 1 . . . . 125 TYR CD1 . 15627 1 1385 . 1 1 124 124 TYR CD2 C 13 133.248 0.020 . 1 . . . . 125 TYR CD2 . 15627 1 1386 . 1 1 124 124 TYR CE1 C 13 117.648 0.020 . 1 . . . . 125 TYR CE1 . 15627 1 1387 . 1 1 124 124 TYR CE2 C 13 117.648 0.020 . 1 . . . . 125 TYR CE2 . 15627 1 1388 . 1 1 124 124 TYR N N 15 125.033 0.020 . 1 . . . . 125 TYR N . 15627 1 1389 . 1 1 125 125 HIS H H 1 8.680 0.010 . 1 . . . . 126 HIS H . 15627 1 1390 . 1 1 125 125 HIS HA H 1 5.120 0.010 . 1 . . . . 126 HIS HA . 15627 1 1391 . 1 1 125 125 HIS HB2 H 1 2.777 0.010 . 1 . . . . 126 HIS HB2 . 15627 1 1392 . 1 1 125 125 HIS HB3 H 1 3.201 0.010 . 1 . . . . 126 HIS HB3 . 15627 1 1393 . 1 1 125 125 HIS HD2 H 1 7.025 0.010 . 1 . . . . 126 HIS HD2 . 15627 1 1394 . 1 1 125 125 HIS CA C 13 53.274 0.020 . 1 . . . . 126 HIS CA . 15627 1 1395 . 1 1 125 125 HIS CB C 13 31.127 0.020 . 1 . . . . 126 HIS CB . 15627 1 1396 . 1 1 125 125 HIS CD2 C 13 119.658 0.020 . 1 . . . . 126 HIS CD2 . 15627 1 1397 . 1 1 125 125 HIS N N 15 120.659 0.020 . 1 . . . . 126 HIS N . 15627 1 1398 . 1 1 126 126 PRO HA H 1 4.031 0.010 . 1 . . . . 127 PRO HA . 15627 1 1399 . 1 1 126 126 PRO HB2 H 1 1.841 0.010 . 1 . . . . 127 PRO HB2 . 15627 1 1400 . 1 1 126 126 PRO HB3 H 1 1.980 0.010 . 1 . . . . 127 PRO HB3 . 15627 1 1401 . 1 1 126 126 PRO HD2 H 1 3.833 0.010 . 2 . . . . 127 PRO QD . 15627 1 1402 . 1 1 126 126 PRO HD3 H 1 3.833 0.010 . 2 . . . . 127 PRO QD . 15627 1 1403 . 1 1 126 126 PRO HG2 H 1 2.138 0.010 . 2 . . . . 127 PRO QG . 15627 1 1404 . 1 1 126 126 PRO HG3 H 1 2.138 0.010 . 2 . . . . 127 PRO QG . 15627 1 1405 . 1 1 126 126 PRO C C 13 176.394 0.020 . 1 . . . . 127 PRO C . 15627 1 1406 . 1 1 126 126 PRO CA C 13 62.928 0.020 . 1 . . . . 127 PRO CA . 15627 1 1407 . 1 1 126 126 PRO CB C 13 32.024 0.020 . 1 . . . . 127 PRO CB . 15627 1 1408 . 1 1 126 126 PRO CD C 13 50.759 0.020 . 1 . . . . 127 PRO CD . 15627 1 1409 . 1 1 126 126 PRO CG C 13 27.860 0.020 . 1 . . . . 127 PRO CG . 15627 1 1410 . 1 1 127 127 GLN H H 1 8.655 0.010 . 1 . . . . 128 GLN H . 15627 1 1411 . 1 1 127 127 GLN HA H 1 4.250 0.010 . 1 . . . . 128 GLN HA . 15627 1 1412 . 1 1 127 127 GLN HB2 H 1 2.039 0.010 . 2 . . . . 128 GLN QB . 15627 1 1413 . 1 1 127 127 GLN HB3 H 1 2.039 0.010 . 2 . . . . 128 GLN QB . 15627 1 1414 . 1 1 127 127 GLN HG2 H 1 2.339 0.010 . 2 . . . . 128 GLN QG . 15627 1 1415 . 1 1 127 127 GLN HG3 H 1 2.339 0.010 . 2 . . . . 128 GLN QG . 15627 1 1416 . 1 1 127 127 GLN C C 13 175.547 0.020 . 1 . . . . 128 GLN C . 15627 1 1417 . 1 1 127 127 GLN CA C 13 55.882 0.020 . 1 . . . . 128 GLN CA . 15627 1 1418 . 1 1 127 127 GLN CB C 13 29.430 0.020 . 1 . . . . 128 GLN CB . 15627 1 1419 . 1 1 127 127 GLN CG C 13 33.839 0.020 . 1 . . . . 128 GLN CG . 15627 1 1420 . 1 1 127 127 GLN N N 15 123.165 0.020 . 1 . . . . 128 GLN N . 15627 1 1421 . 1 1 128 128 THR H H 1 7.674 0.010 . 1 . . . . 129 THR H . 15627 1 1422 . 1 1 128 128 THR HA H 1 4.009 0.010 . 1 . . . . 129 THR HA . 15627 1 1423 . 1 1 128 128 THR HB H 1 4.087 0.010 . 1 . . . . 129 THR HB . 15627 1 1424 . 1 1 128 128 THR HG21 H 1 0.995 0.010 . 1 . . . . 129 THR QG2 . 15627 1 1425 . 1 1 128 128 THR HG22 H 1 0.995 0.010 . 1 . . . . 129 THR QG2 . 15627 1 1426 . 1 1 128 128 THR HG23 H 1 0.995 0.010 . 1 . . . . 129 THR QG2 . 15627 1 1427 . 1 1 128 128 THR C C 13 179.078 0.020 . 1 . . . . 129 THR C . 15627 1 1428 . 1 1 128 128 THR CA C 13 62.953 0.020 . 1 . . . . 129 THR CA . 15627 1 1429 . 1 1 128 128 THR CB C 13 70.810 0.020 . 1 . . . . 129 THR CB . 15627 1 1430 . 1 1 128 128 THR CG2 C 13 21.814 0.020 . 1 . . . . 129 THR CG2 . 15627 1 1431 . 1 1 128 128 THR N N 15 121.445 0.020 . 1 . . . . 129 THR N . 15627 1 stop_ save_