data_16970 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16970 _Entry.Title ; Solution structure of the Bem1p SH3-CI domain from L.elongisporus in complex with Ste20p peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-02 _Entry.Accession_date 2010-06-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Maryna Gorelik . . . 16970 2 Ranjith Muhandiram . . . 16970 3 Alan Davidson . R. . 16970 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16970 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Bem1p . 16970 Cdc42p-interacting . 16970 scaffold . 16970 SH3-CI . 16970 'SH3 domain' . 16970 'Ste20p PRR' . 16970 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16970 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 546 16970 '15N chemical shifts' 122 16970 '1H chemical shifts' 952 16970 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-16 2010-06-02 update BMRB 'update entry citation' 16970 1 . . 2010-07-01 2010-06-02 original author 'original release' 16970 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KYM 'BMRB Entry Tracking System' 16970 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16970 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21489982 _Citation.Full_citation . _Citation.Title 'A Conserved residue in the yeast Bem1p SH3 domain maintains the high level of binding specificity required for function.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 22 _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 19470 _Citation.Page_last 19477 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maryna Gorelik . . . 16970 1 2 Karen Stanger . . . 16970 1 3 Alan Davidson . R. . 16970 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16970 _Assembly.ID 1 _Assembly.Name 'Bem1p SH3-CI domain with Ste20p' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 Bud_emergence_protein_1 1 $Bud_emergence_protein_1 A . yes native no no . . . 16970 1 2 Peptide_from_Serine/Threonine_kinase_Ste20 2 $Peptide_from_Serine_Threonine_kinase_Ste20 B . yes native no no . . . 16970 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Bud_emergence_protein_1 _Entity.Sf_category entity _Entity.Sf_framecode Bud_emergence_protein_1 _Entity.Entry_ID 16970 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bud_emergence_protein_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPLFAVTLYEFKAERDDEL DVSPGENLSICAHYDYEWFI AKPINRLGGPGLVPVSYVRI IDLMDPAKYASVDTYDREQV MKIIDEFKIPTVEQWKDQTR RYKESSIQIGNGHGQSQGLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-2 and 119-120 represent cloning artifacts' _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'SH3-CI domain, residues 2-117' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13772.617 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KYM . "Solution Structure Of The Bem1p Sh3-Ci Domain From L.Elongisporus In Complex With Ste20p Peptide" . . . . . 100.00 120 100.00 100.00 7.77e-83 . . . . 16970 1 2 no GB EDK46053 . "hypothetical protein LELG_04233 [Lodderomyces elongisporus NRRL YB-4239]" . . . . . 96.67 451 100.00 100.00 8.83e-78 . . . . 16970 1 3 no REF XP_001524262 . "hypothetical protein LELG_04233 [Lodderomyces elongisporus NRRL YB-4239]" . . . . . 96.67 451 100.00 100.00 8.83e-78 . . . . 16970 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 . MET . 16970 1 2 . ALA . 16970 1 3 . PRO . 16970 1 4 . LEU . 16970 1 5 . PHE . 16970 1 6 . ALA . 16970 1 7 . VAL . 16970 1 8 . THR . 16970 1 9 . LEU . 16970 1 10 . TYR . 16970 1 11 . GLU . 16970 1 12 . PHE . 16970 1 13 . LYS . 16970 1 14 . ALA . 16970 1 15 . GLU . 16970 1 16 . ARG . 16970 1 17 . ASP . 16970 1 18 . ASP . 16970 1 19 . GLU . 16970 1 20 . LEU . 16970 1 21 . ASP . 16970 1 22 . VAL . 16970 1 23 . SER . 16970 1 24 . PRO . 16970 1 25 . GLY . 16970 1 26 . GLU . 16970 1 27 . ASN . 16970 1 28 . LEU . 16970 1 29 . SER . 16970 1 30 . ILE . 16970 1 31 . CYS . 16970 1 32 . ALA . 16970 1 33 . HIS . 16970 1 34 . TYR . 16970 1 35 . ASP . 16970 1 36 . TYR . 16970 1 37 . GLU . 16970 1 38 . TRP . 16970 1 39 . PHE . 16970 1 40 . ILE . 16970 1 41 . ALA . 16970 1 42 . LYS . 16970 1 43 . PRO . 16970 1 44 . ILE . 16970 1 45 . ASN . 16970 1 46 . ARG . 16970 1 47 . LEU . 16970 1 48 . GLY . 16970 1 49 . GLY . 16970 1 50 . PRO . 16970 1 51 . GLY . 16970 1 52 . LEU . 16970 1 53 . VAL . 16970 1 54 . PRO . 16970 1 55 . VAL . 16970 1 56 . SER . 16970 1 57 . TYR . 16970 1 58 . VAL . 16970 1 59 . ARG . 16970 1 60 . ILE . 16970 1 61 . ILE . 16970 1 62 . ASP . 16970 1 63 . LEU . 16970 1 64 . MET . 16970 1 65 . ASP . 16970 1 66 . PRO . 16970 1 67 . ALA . 16970 1 68 . LYS . 16970 1 69 . TYR . 16970 1 70 . ALA . 16970 1 71 . SER . 16970 1 72 . VAL . 16970 1 73 . ASP . 16970 1 74 . THR . 16970 1 75 . TYR . 16970 1 76 . ASP . 16970 1 77 . ARG . 16970 1 78 . GLU . 16970 1 79 . GLN . 16970 1 80 . VAL . 16970 1 81 . MET . 16970 1 82 . LYS . 16970 1 83 . ILE . 16970 1 84 . ILE . 16970 1 85 . ASP . 16970 1 86 . GLU . 16970 1 87 . PHE . 16970 1 88 . LYS . 16970 1 89 . ILE . 16970 1 90 . PRO . 16970 1 91 . THR . 16970 1 92 . VAL . 16970 1 93 . GLU . 16970 1 94 . GLN . 16970 1 95 . TRP . 16970 1 96 . LYS . 16970 1 97 . ASP . 16970 1 98 . GLN . 16970 1 99 . THR . 16970 1 100 . ARG . 16970 1 101 . ARG . 16970 1 102 . TYR . 16970 1 103 . LYS . 16970 1 104 . GLU . 16970 1 105 . SER . 16970 1 106 . SER . 16970 1 107 . ILE . 16970 1 108 . GLN . 16970 1 109 . ILE . 16970 1 110 . GLY . 16970 1 111 . ASN . 16970 1 112 . GLY . 16970 1 113 . HIS . 16970 1 114 . GLY . 16970 1 115 . GLN . 16970 1 116 . SER . 16970 1 117 . GLN . 16970 1 118 . GLY . 16970 1 119 . LEU . 16970 1 120 . GLU . 16970 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 16970 1 . ALA 2 2 16970 1 . PRO 3 3 16970 1 . LEU 4 4 16970 1 . PHE 5 5 16970 1 . ALA 6 6 16970 1 . VAL 7 7 16970 1 . THR 8 8 16970 1 . LEU 9 9 16970 1 . TYR 10 10 16970 1 . GLU 11 11 16970 1 . PHE 12 12 16970 1 . LYS 13 13 16970 1 . ALA 14 14 16970 1 . GLU 15 15 16970 1 . ARG 16 16 16970 1 . ASP 17 17 16970 1 . ASP 18 18 16970 1 . GLU 19 19 16970 1 . LEU 20 20 16970 1 . ASP 21 21 16970 1 . VAL 22 22 16970 1 . SER 23 23 16970 1 . PRO 24 24 16970 1 . GLY 25 25 16970 1 . GLU 26 26 16970 1 . ASN 27 27 16970 1 . LEU 28 28 16970 1 . SER 29 29 16970 1 . ILE 30 30 16970 1 . CYS 31 31 16970 1 . ALA 32 32 16970 1 . HIS 33 33 16970 1 . TYR 34 34 16970 1 . ASP 35 35 16970 1 . TYR 36 36 16970 1 . GLU 37 37 16970 1 . TRP 38 38 16970 1 . PHE 39 39 16970 1 . ILE 40 40 16970 1 . ALA 41 41 16970 1 . LYS 42 42 16970 1 . PRO 43 43 16970 1 . ILE 44 44 16970 1 . ASN 45 45 16970 1 . ARG 46 46 16970 1 . LEU 47 47 16970 1 . GLY 48 48 16970 1 . GLY 49 49 16970 1 . PRO 50 50 16970 1 . GLY 51 51 16970 1 . LEU 52 52 16970 1 . VAL 53 53 16970 1 . PRO 54 54 16970 1 . VAL 55 55 16970 1 . SER 56 56 16970 1 . TYR 57 57 16970 1 . VAL 58 58 16970 1 . ARG 59 59 16970 1 . ILE 60 60 16970 1 . ILE 61 61 16970 1 . ASP 62 62 16970 1 . LEU 63 63 16970 1 . MET 64 64 16970 1 . ASP 65 65 16970 1 . PRO 66 66 16970 1 . ALA 67 67 16970 1 . LYS 68 68 16970 1 . TYR 69 69 16970 1 . ALA 70 70 16970 1 . SER 71 71 16970 1 . VAL 72 72 16970 1 . ASP 73 73 16970 1 . THR 74 74 16970 1 . TYR 75 75 16970 1 . ASP 76 76 16970 1 . ARG 77 77 16970 1 . GLU 78 78 16970 1 . GLN 79 79 16970 1 . VAL 80 80 16970 1 . MET 81 81 16970 1 . LYS 82 82 16970 1 . ILE 83 83 16970 1 . ILE 84 84 16970 1 . ASP 85 85 16970 1 . GLU 86 86 16970 1 . PHE 87 87 16970 1 . LYS 88 88 16970 1 . ILE 89 89 16970 1 . PRO 90 90 16970 1 . THR 91 91 16970 1 . VAL 92 92 16970 1 . GLU 93 93 16970 1 . GLN 94 94 16970 1 . TRP 95 95 16970 1 . LYS 96 96 16970 1 . ASP 97 97 16970 1 . GLN 98 98 16970 1 . THR 99 99 16970 1 . ARG 100 100 16970 1 . ARG 101 101 16970 1 . TYR 102 102 16970 1 . LYS 103 103 16970 1 . GLU 104 104 16970 1 . SER 105 105 16970 1 . SER 106 106 16970 1 . ILE 107 107 16970 1 . GLN 108 108 16970 1 . ILE 109 109 16970 1 . GLY 110 110 16970 1 . ASN 111 111 16970 1 . GLY 112 112 16970 1 . HIS 113 113 16970 1 . GLY 114 114 16970 1 . GLN 115 115 16970 1 . SER 116 116 16970 1 . GLN 117 117 16970 1 . GLY 118 118 16970 1 . LEU 119 119 16970 1 . GLU 120 120 16970 1 stop_ save_ save_Peptide_from_Serine_Threonine_kinase_Ste20 _Entity.Sf_category entity _Entity.Sf_framecode Peptide_from_Serine_Threonine_kinase_Ste20 _Entity.Entry_ID 16970 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Peptide_from_Serine/Threonine_kinase_Ste20 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GKFIPSRPAPKPPSSA _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 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'none present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'PRR, residues 468-483' _Entity.Mutation . _Entity.EC_number 'EC: 2. 7. 11. 1' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1639.933 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17629 . Ste20_peptide . . . . . 100.00 16 100.00 100.00 3.43e+00 . . . . 16970 2 2 no PDB 2KYM . "Solution Structure Of The Bem1p Sh3-Ci Domain From L.Elongisporus In Complex With Ste20p Peptide" . . . . . 100.00 16 100.00 100.00 3.43e+00 . . . . 16970 2 3 no PDB 2LCS . "Yeast Nbp2p Sh3 Domain In Complex With A Peptide From Ste20p" . . . . . 100.00 16 100.00 100.00 3.43e+00 . . . . 16970 2 4 no PDB 2RQW . "Solution Structure Of Bem1p Sh3ci Domain Complexed With Ste20p-Prr Peptide" . . . . . 100.00 24 100.00 100.00 1.98e+00 . . . . 16970 2 5 no DBJ GAA23703 . "K7_Ste20p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 939 100.00 100.00 2.46e+00 . . . . 16970 2 6 no GB AAA35038 . "serine/threonine protein kinase [Saccharomyces cerevisiae]" . . . . . 100.00 939 100.00 100.00 2.41e+00 . . . . 16970 2 7 no GB AAA35111 . "protein kinase [Saccharomyces cerevisiae]" . . . . . 100.00 939 100.00 100.00 2.48e+00 . . . . 16970 2 8 no GB AAB69747 . "Ste20p: Protein kinase; component of the G-protein-coupled pheromone response pathway [Saccharomyces cerevisiae]" . . . . . 100.00 939 100.00 100.00 2.48e+00 . . . . 16970 2 9 no GB AHY77690 . "Ste20p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 939 100.00 100.00 2.48e+00 . . . . 16970 2 10 no GB EDN62227 . "PAK family kinase [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 939 100.00 100.00 2.48e+00 . . . . 16970 2 11 no REF NP_011856 . "Ste20p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 939 100.00 100.00 2.48e+00 . . . . 16970 2 12 no SP Q03497 . "RecName: Full=Serine/threonine-protein kinase STE20 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 939 100.00 100.00 2.48e+00 . . . . 16970 2 13 no TPG DAA06681 . "TPA: mitogen-activated protein kinase kinase kinase kinase STE20 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 939 100.00 100.00 2.48e+00 . . . . 16970 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16970 2 2 . LYS . 16970 2 3 . PHE . 16970 2 4 . ILE . 16970 2 5 . PRO . 16970 2 6 . SER . 16970 2 7 . ARG . 16970 2 8 . PRO . 16970 2 9 . ALA . 16970 2 10 . PRO . 16970 2 11 . LYS . 16970 2 12 . PRO . 16970 2 13 . PRO . 16970 2 14 . SER . 16970 2 15 . SER . 16970 2 16 . ALA . 16970 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16970 2 . LYS 2 2 16970 2 . PHE 3 3 16970 2 . ILE 4 4 16970 2 . PRO 5 5 16970 2 . SER 6 6 16970 2 . ARG 7 7 16970 2 . PRO 8 8 16970 2 . ALA 9 9 16970 2 . PRO 10 10 16970 2 . LYS 11 11 16970 2 . PRO 12 12 16970 2 . PRO 13 13 16970 2 . SER 14 14 16970 2 . SER 15 15 16970 2 . ALA 16 16 16970 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16970 _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 $Bud_emergence_protein_1 . 36914 organism . 'Lodderomyces elongisporus' ascomycetes . . Eukaryota Fungi Lodderomyces elongisporus 'NRRL YB-4239' . . . . . . . . . . . . . . . LELG_04233 . . . . 16970 1 2 2 $Peptide_from_Serine_Threonine_kinase_Ste20 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . STE20 . . . . 16970 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 16970 _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 $Bud_emergence_protein_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'PET 21' . . . . . . 16970 1 2 2 $Peptide_from_Serine_Threonine_kinase_Ste20 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16970 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16970 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bem1 SH3-CI protein' '[U-99% 13C; U-99% 15N]' . . 1 $Bud_emergence_protein_1 . . 0.7 . . mM 0.05 . . . 16970 1 2 'Ste20 peptide' 'natural abundance' . . 2 $Peptide_from_Serine_Threonine_kinase_Ste20 . . 1.5 . . mM 0.1 . . . 16970 1 3 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 16970 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 16970 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16970 1 6 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 16970 1 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16970 1 8 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16970 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16970 1 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16970 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16970 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bem1 SH3-CI protein' '[U-99% 13C; U-99% 15N]' . . 1 $Bud_emergence_protein_1 . . 0.7 . . mM 0.05 . . . 16970 2 2 'Ste20 peptide' 'natural abundance' . . 2 $Peptide_from_Serine_Threonine_kinase_Ste20 . . 1.5 . . mM 0.1 . . . 16970 2 3 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 16970 2 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 16970 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16970 2 6 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 16970 2 7 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16970 2 8 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16970 2 9 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16970 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16970 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bem1 SH3-CI protein' '[U-99% 13C; U-99% 15N]' . . 1 $Bud_emergence_protein_1 . . 0.5 . . mM 0.05 . . . 16970 3 2 'Ste20 peptide' 'natural abundance' . . 2 $Peptide_from_Serine_Threonine_kinase_Ste20 . . 0.5 . . mM . . . . 16970 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16970 3 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16970 3 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16970 3 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16970 3 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16970 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16970 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bem1 SH3-CI protein' '[U-99% 13C; U-99% 15N]' . . 1 $Bud_emergence_protein_1 . . 0.5 . . mM 0.05 . . . 16970 4 2 'Ste20 peptide' 'natural abundance' . . 2 $Peptide_from_Serine_Threonine_kinase_Ste20 . . 0.5 . . mM . . . . 16970 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16970 4 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16970 4 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16970 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16970 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 16970 _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' 100 . mM 16970 1 pH 6.8 . pH 16970 1 pressure 1 . atm 16970 1 temperature 293 . K 16970 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16970 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16970 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16970 1 'peak picking' 16970 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16970 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16970 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16970 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16970 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16970 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16970 3 'structure solution' 16970 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16970 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16970 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16970 _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 Varian INOVA . 500 . . . 16970 1 2 spectrometer_2 Varian INOVA . 800 . . . 16970 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 16970 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16970 1 10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16970 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16970 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16970 1 13 '15N C13 filtered 2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 14 '15N C13 filtered 2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 15 '15N C13 filtered 2D 1H-1H COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16970 1 16 '13C half-filtered 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16970 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 16970 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16970 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16970 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16970 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 16970 _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 _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' . . . 16970 1 2 '3D HNCO' . . . 16970 1 3 '3D HN(CO)CA' . . . 16970 1 4 '3D HNCACB' . . . 16970 1 5 '3D CBCA(CO)NH' . . . 16970 1 6 '3D C(CO)NH' . . . 16970 1 7 '3D HNCA' . . . 16970 1 8 '2D 1H-13C HSQC' . . . 16970 1 9 '3D HCCH-TOCSY' . . . 16970 1 10 '3D HCCH-COSY' . . . 16970 1 11 '3D 1H-15N NOESY' . . . 16970 1 12 '3D 1H-13C NOESY' . . . 16970 1 13 '15N C13 filtered 2D 1H-1H TOCSY' . . . 16970 1 14 '15N C13 filtered 2D 1H-1H NOESY' . . . 16970 1 15 '15N C13 filtered 2D 1H-1H COSY' . . . 16970 1 16 '13C half-filtered 1H-13C NOESY' . . . 16970 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CYANA . . 16970 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.424 0.020 . 1 . . . . 1 MET H . 16970 1 2 . 1 1 1 1 MET HA H 1 3.995 0.020 . 1 . . . . 1 MET HA . 16970 1 3 . 1 1 1 1 MET HB2 H 1 2.112 0.020 . 2 . . . . 1 MET HB2 . 16970 1 4 . 1 1 1 1 MET HB3 H 1 2.112 0.020 . 2 . . . . 1 MET HB3 . 16970 1 5 . 1 1 1 1 MET HE1 H 1 2.070 0.020 . 1 . . . . 1 MET HE . 16970 1 6 . 1 1 1 1 MET HE2 H 1 2.070 0.020 . 1 . . . . 1 MET HE . 16970 1 7 . 1 1 1 1 MET HE3 H 1 2.070 0.020 . 1 . . . . 1 MET HE . 16970 1 8 . 1 1 1 1 MET HG2 H 1 2.645 0.020 . 2 . . . . 1 MET HG2 . 16970 1 9 . 1 1 1 1 MET HG3 H 1 2.645 0.020 . 2 . . . . 1 MET HG3 . 16970 1 10 . 1 1 1 1 MET C C 13 175.399 0.400 . 1 . . . . 1 MET C . 16970 1 11 . 1 1 1 1 MET CA C 13 55.179 0.400 . 1 . . . . 1 MET CA . 16970 1 12 . 1 1 1 1 MET CB C 13 34.250 0.400 . 1 . . . . 1 MET CB . 16970 1 13 . 1 1 1 1 MET CE C 13 17.232 0.400 . 1 . . . . 1 MET CE . 16970 1 14 . 1 1 1 1 MET CG C 13 31.150 0.400 . 1 . . . . 1 MET CG . 16970 1 15 . 1 1 1 1 MET N N 15 128.836 0.400 . 1 . . . . 1 MET N . 16970 1 16 . 1 1 2 2 ALA H H 1 8.481 0.020 . 1 . . . . 2 ALA H . 16970 1 17 . 1 1 2 2 ALA HA H 1 4.736 0.020 . 1 . . . . 2 ALA HA . 16970 1 18 . 1 1 2 2 ALA HB1 H 1 1.463 0.020 . 1 . . . . 2 ALA HB . 16970 1 19 . 1 1 2 2 ALA HB2 H 1 1.463 0.020 . 1 . . . . 2 ALA HB . 16970 1 20 . 1 1 2 2 ALA HB3 H 1 1.463 0.020 . 1 . . . . 2 ALA HB . 16970 1 21 . 1 1 2 2 ALA C C 13 174.778 0.400 . 1 . . . . 2 ALA C . 16970 1 22 . 1 1 2 2 ALA CA C 13 50.363 0.400 . 1 . . . . 2 ALA CA . 16970 1 23 . 1 1 2 2 ALA CB C 13 18.816 0.400 . 1 . . . . 2 ALA CB . 16970 1 24 . 1 1 2 2 ALA N N 15 128.205 0.400 . 1 . . . . 2 ALA N . 16970 1 25 . 1 1 3 3 PRO HA H 1 4.342 0.020 . 1 . . . . 3 PRO HA . 16970 1 26 . 1 1 3 3 PRO HB2 H 1 2.106 0.020 . 2 . . . . 3 PRO HB2 . 16970 1 27 . 1 1 3 3 PRO HB3 H 1 1.681 0.020 . 2 . . . . 3 PRO HB3 . 16970 1 28 . 1 1 3 3 PRO HD2 H 1 3.852 0.020 . 2 . . . . 3 PRO HD2 . 16970 1 29 . 1 1 3 3 PRO HD3 H 1 3.750 0.020 . 2 . . . . 3 PRO HD3 . 16970 1 30 . 1 1 3 3 PRO HG2 H 1 2.090 0.020 . 2 . . . . 3 PRO HG2 . 16970 1 31 . 1 1 3 3 PRO HG3 H 1 2.050 0.020 . 2 . . . . 3 PRO HG3 . 16970 1 32 . 1 1 3 3 PRO C C 13 174.454 0.400 . 1 . . . . 3 PRO C . 16970 1 33 . 1 1 3 3 PRO CA C 13 62.789 0.400 . 1 . . . . 3 PRO CA . 16970 1 34 . 1 1 3 3 PRO CB C 13 32.090 0.400 . 1 . . . . 3 PRO CB . 16970 1 35 . 1 1 3 3 PRO CD C 13 50.359 0.400 . 1 . . . . 3 PRO CD . 16970 1 36 . 1 1 3 3 PRO CG C 13 27.520 0.400 . 1 . . . . 3 PRO CG . 16970 1 37 . 1 1 4 4 LEU H H 1 8.033 0.020 . 1 . . . . 4 LEU H . 16970 1 38 . 1 1 4 4 LEU HA H 1 4.381 0.020 . 1 . . . . 4 LEU HA . 16970 1 39 . 1 1 4 4 LEU HB2 H 1 1.263 0.020 . 2 . . . . 4 LEU HB2 . 16970 1 40 . 1 1 4 4 LEU HB3 H 1 1.263 0.020 . 2 . . . . 4 LEU HB3 . 16970 1 41 . 1 1 4 4 LEU HD11 H 1 0.178 0.020 . 2 . . . . 4 LEU HD1 . 16970 1 42 . 1 1 4 4 LEU HD12 H 1 0.178 0.020 . 2 . . . . 4 LEU HD1 . 16970 1 43 . 1 1 4 4 LEU HD13 H 1 0.178 0.020 . 2 . . . . 4 LEU HD1 . 16970 1 44 . 1 1 4 4 LEU HD21 H 1 0.001 0.020 . 2 . . . . 4 LEU HD2 . 16970 1 45 . 1 1 4 4 LEU HD22 H 1 0.001 0.020 . 2 . . . . 4 LEU HD2 . 16970 1 46 . 1 1 4 4 LEU HD23 H 1 0.001 0.020 . 2 . . . . 4 LEU HD2 . 16970 1 47 . 1 1 4 4 LEU HG H 1 1.035 0.020 . 1 . . . . 4 LEU HG . 16970 1 48 . 1 1 4 4 LEU C C 13 174.361 0.400 . 1 . . . . 4 LEU C . 16970 1 49 . 1 1 4 4 LEU CA C 13 53.616 0.400 . 1 . . . . 4 LEU CA . 16970 1 50 . 1 1 4 4 LEU CB C 13 44.869 0.400 . 1 . . . . 4 LEU CB . 16970 1 51 . 1 1 4 4 LEU CD1 C 13 25.430 0.400 . 1 . . . . 4 LEU CD1 . 16970 1 52 . 1 1 4 4 LEU CD2 C 13 22.590 0.400 . 1 . . . . 4 LEU CD2 . 16970 1 53 . 1 1 4 4 LEU CG C 13 26.230 0.400 . 1 . . . . 4 LEU CG . 16970 1 54 . 1 1 4 4 LEU N N 15 122.392 0.400 . 1 . . . . 4 LEU N . 16970 1 55 . 1 1 5 5 PHE H H 1 8.384 0.020 . 1 . . . . 5 PHE H . 16970 1 56 . 1 1 5 5 PHE HA H 1 5.270 0.020 . 1 . . . . 5 PHE HA . 16970 1 57 . 1 1 5 5 PHE HB2 H 1 3.066 0.020 . 2 . . . . 5 PHE HB2 . 16970 1 58 . 1 1 5 5 PHE HB3 H 1 2.894 0.020 . 2 . . . . 5 PHE HB3 . 16970 1 59 . 1 1 5 5 PHE HD1 H 1 7.230 0.020 . 1 . . . . 5 PHE HD1 . 16970 1 60 . 1 1 5 5 PHE HD2 H 1 7.230 0.020 . 1 . . . . 5 PHE HD2 . 16970 1 61 . 1 1 5 5 PHE HE1 H 1 7.220 0.020 . 1 . . . . 5 PHE HE1 . 16970 1 62 . 1 1 5 5 PHE HE2 H 1 7.220 0.020 . 1 . . . . 5 PHE HE2 . 16970 1 63 . 1 1 5 5 PHE C C 13 173.452 0.400 . 1 . . . . 5 PHE C . 16970 1 64 . 1 1 5 5 PHE CA C 13 56.181 0.400 . 1 . . . . 5 PHE CA . 16970 1 65 . 1 1 5 5 PHE CB C 13 42.140 0.400 . 1 . . . . 5 PHE CB . 16970 1 66 . 1 1 5 5 PHE CD1 C 13 133.030 0.400 . 1 . . . . 5 PHE CD1 . 16970 1 67 . 1 1 5 5 PHE CD2 C 13 133.030 0.400 . 1 . . . . 5 PHE CD2 . 16970 1 68 . 1 1 5 5 PHE CE1 C 13 130.610 0.400 . 1 . . . . 5 PHE CE1 . 16970 1 69 . 1 1 5 5 PHE CE2 C 13 130.610 0.400 . 1 . . . . 5 PHE CE2 . 16970 1 70 . 1 1 5 5 PHE N N 15 123.720 0.400 . 1 . . . . 5 PHE N . 16970 1 71 . 1 1 6 6 ALA H H 1 8.835 0.020 . 1 . . . . 6 ALA H . 16970 1 72 . 1 1 6 6 ALA HA H 1 5.284 0.020 . 1 . . . . 6 ALA HA . 16970 1 73 . 1 1 6 6 ALA HB1 H 1 1.016 0.020 . 1 . . . . 6 ALA HB . 16970 1 74 . 1 1 6 6 ALA HB2 H 1 1.016 0.020 . 1 . . . . 6 ALA HB . 16970 1 75 . 1 1 6 6 ALA HB3 H 1 1.016 0.020 . 1 . . . . 6 ALA HB . 16970 1 76 . 1 1 6 6 ALA C C 13 174.963 0.400 . 1 . . . . 6 ALA C . 16970 1 77 . 1 1 6 6 ALA CA C 13 50.345 0.400 . 1 . . . . 6 ALA CA . 16970 1 78 . 1 1 6 6 ALA CB C 13 23.582 0.400 . 1 . . . . 6 ALA CB . 16970 1 79 . 1 1 6 6 ALA N N 15 119.668 0.400 . 1 . . . . 6 ALA N . 16970 1 80 . 1 1 7 7 VAL H H 1 9.103 0.020 . 1 . . . . 7 VAL H . 16970 1 81 . 1 1 7 7 VAL HA H 1 5.278 0.020 . 1 . . . . 7 VAL HA . 16970 1 82 . 1 1 7 7 VAL HB H 1 1.914 0.020 . 1 . . . . 7 VAL HB . 16970 1 83 . 1 1 7 7 VAL HG11 H 1 0.867 0.020 . 2 . . . . 7 VAL HG1 . 16970 1 84 . 1 1 7 7 VAL HG12 H 1 0.867 0.020 . 2 . . . . 7 VAL HG1 . 16970 1 85 . 1 1 7 7 VAL HG13 H 1 0.867 0.020 . 2 . . . . 7 VAL HG1 . 16970 1 86 . 1 1 7 7 VAL HG21 H 1 0.892 0.020 . 2 . . . . 7 VAL HG2 . 16970 1 87 . 1 1 7 7 VAL HG22 H 1 0.892 0.020 . 2 . . . . 7 VAL HG2 . 16970 1 88 . 1 1 7 7 VAL HG23 H 1 0.892 0.020 . 2 . . . . 7 VAL HG2 . 16970 1 89 . 1 1 7 7 VAL C C 13 175.264 0.400 . 1 . . . . 7 VAL C . 16970 1 90 . 1 1 7 7 VAL CA C 13 58.812 0.400 . 1 . . . . 7 VAL CA . 16970 1 91 . 1 1 7 7 VAL CB C 13 34.856 0.400 . 1 . . . . 7 VAL CB . 16970 1 92 . 1 1 7 7 VAL CG1 C 13 19.868 0.400 . 1 . . . . 7 VAL CG1 . 16970 1 93 . 1 1 7 7 VAL CG2 C 13 21.530 0.400 . 1 . . . . 7 VAL CG2 . 16970 1 94 . 1 1 7 7 VAL N N 15 119.401 0.400 . 1 . . . . 7 VAL N . 16970 1 95 . 1 1 8 8 THR H H 1 8.559 0.020 . 1 . . . . 8 THR H . 16970 1 96 . 1 1 8 8 THR HA H 1 4.395 0.020 . 1 . . . . 8 THR HA . 16970 1 97 . 1 1 8 8 THR HB H 1 4.442 0.020 . 1 . . . . 8 THR HB . 16970 1 98 . 1 1 8 8 THR HG21 H 1 1.284 0.020 . 1 . . . . 8 THR HG2 . 16970 1 99 . 1 1 8 8 THR HG22 H 1 1.284 0.020 . 1 . . . . 8 THR HG2 . 16970 1 100 . 1 1 8 8 THR HG23 H 1 1.284 0.020 . 1 . . . . 8 THR HG2 . 16970 1 101 . 1 1 8 8 THR C C 13 176.468 0.400 . 1 . . . . 8 THR C . 16970 1 102 . 1 1 8 8 THR CA C 13 62.960 0.400 . 1 . . . . 8 THR CA . 16970 1 103 . 1 1 8 8 THR CB C 13 68.778 0.400 . 1 . . . . 8 THR CB . 16970 1 104 . 1 1 8 8 THR CG2 C 13 24.329 0.400 . 1 . . . . 8 THR CG2 . 16970 1 105 . 1 1 8 8 THR N N 15 119.208 0.400 . 1 . . . . 8 THR N . 16970 1 106 . 1 1 9 9 LEU H H 1 9.413 0.020 . 1 . . . . 9 LEU H . 16970 1 107 . 1 1 9 9 LEU HA H 1 4.086 0.020 . 1 . . . . 9 LEU HA . 16970 1 108 . 1 1 9 9 LEU HB2 H 1 0.725 0.020 . 2 . . . . 9 LEU HB2 . 16970 1 109 . 1 1 9 9 LEU HB3 H 1 0.281 0.020 . 2 . . . . 9 LEU HB3 . 16970 1 110 . 1 1 9 9 LEU HD11 H 1 0.619 0.020 . 2 . . . . 9 LEU HD1 . 16970 1 111 . 1 1 9 9 LEU HD12 H 1 0.619 0.020 . 2 . . . . 9 LEU HD1 . 16970 1 112 . 1 1 9 9 LEU HD13 H 1 0.619 0.020 . 2 . . . . 9 LEU HD1 . 16970 1 113 . 1 1 9 9 LEU HD21 H 1 0.619 0.020 . 2 . . . . 9 LEU HD2 . 16970 1 114 . 1 1 9 9 LEU HD22 H 1 0.619 0.020 . 2 . . . . 9 LEU HD2 . 16970 1 115 . 1 1 9 9 LEU HD23 H 1 0.619 0.020 . 2 . . . . 9 LEU HD2 . 16970 1 116 . 1 1 9 9 LEU HG H 1 1.219 0.020 . 1 . . . . 9 LEU HG . 16970 1 117 . 1 1 9 9 LEU C C 13 175.831 0.400 . 1 . . . . 9 LEU C . 16970 1 118 . 1 1 9 9 LEU CA C 13 55.389 0.400 . 1 . . . . 9 LEU CA . 16970 1 119 . 1 1 9 9 LEU CB C 13 43.351 0.400 . 1 . . . . 9 LEU CB . 16970 1 120 . 1 1 9 9 LEU CD1 C 13 22.250 0.400 . 1 . . . . 9 LEU CD1 . 16970 1 121 . 1 1 9 9 LEU CD2 C 13 22.250 0.400 . 1 . . . . 9 LEU CD2 . 16970 1 122 . 1 1 9 9 LEU CG C 13 26.618 0.400 . 1 . . . . 9 LEU CG . 16970 1 123 . 1 1 9 9 LEU N N 15 125.660 0.400 . 1 . . . . 9 LEU N . 16970 1 124 . 1 1 10 10 TYR H H 1 6.812 0.020 . 1 . . . . 10 TYR H . 16970 1 125 . 1 1 10 10 TYR HA H 1 4.920 0.020 . 1 . . . . 10 TYR HA . 16970 1 126 . 1 1 10 10 TYR HB2 H 1 2.356 0.020 . 2 . . . . 10 TYR HB2 . 16970 1 127 . 1 1 10 10 TYR HB3 H 1 3.176 0.020 . 2 . . . . 10 TYR HB3 . 16970 1 128 . 1 1 10 10 TYR HD1 H 1 6.578 0.020 . 1 . . . . 10 TYR HD1 . 16970 1 129 . 1 1 10 10 TYR HD2 H 1 6.578 0.020 . 1 . . . . 10 TYR HD2 . 16970 1 130 . 1 1 10 10 TYR HE1 H 1 6.696 0.020 . 1 . . . . 10 TYR HE1 . 16970 1 131 . 1 1 10 10 TYR HE2 H 1 6.696 0.020 . 1 . . . . 10 TYR HE2 . 16970 1 132 . 1 1 10 10 TYR C C 13 173.049 0.400 . 1 . . . . 10 TYR C . 16970 1 133 . 1 1 10 10 TYR CA C 13 53.449 0.400 . 1 . . . . 10 TYR CA . 16970 1 134 . 1 1 10 10 TYR CB C 13 42.187 0.400 . 1 . . . . 10 TYR CB . 16970 1 135 . 1 1 10 10 TYR CD1 C 13 134.952 0.400 . 1 . . . . 10 TYR CD1 . 16970 1 136 . 1 1 10 10 TYR CD2 C 13 134.952 0.400 . 1 . . . . 10 TYR CD2 . 16970 1 137 . 1 1 10 10 TYR CE1 C 13 118.850 0.400 . 1 . . . . 10 TYR CE1 . 16970 1 138 . 1 1 10 10 TYR CE2 C 13 118.850 0.400 . 1 . . . . 10 TYR CE2 . 16970 1 139 . 1 1 10 10 TYR N N 15 113.514 0.400 . 1 . . . . 10 TYR N . 16970 1 140 . 1 1 11 11 GLU H H 1 8.538 0.020 . 1 . . . . 11 GLU H . 16970 1 141 . 1 1 11 11 GLU HA H 1 4.386 0.020 . 1 . . . . 11 GLU HA . 16970 1 142 . 1 1 11 11 GLU HB2 H 1 2.174 0.020 . 2 . . . . 11 GLU HB2 . 16970 1 143 . 1 1 11 11 GLU HB3 H 1 2.098 0.020 . 2 . . . . 11 GLU HB3 . 16970 1 144 . 1 1 11 11 GLU HG2 H 1 2.439 0.020 . 2 . . . . 11 GLU HG2 . 16970 1 145 . 1 1 11 11 GLU HG3 H 1 2.221 0.020 . 2 . . . . 11 GLU HG3 . 16970 1 146 . 1 1 11 11 GLU C C 13 175.127 0.400 . 1 . . . . 11 GLU C . 16970 1 147 . 1 1 11 11 GLU CA C 13 56.585 0.400 . 1 . . . . 11 GLU CA . 16970 1 148 . 1 1 11 11 GLU CB C 13 30.925 0.400 . 1 . . . . 11 GLU CB . 16970 1 149 . 1 1 11 11 GLU CG C 13 36.650 0.400 . 1 . . . . 11 GLU CG . 16970 1 150 . 1 1 11 11 GLU N N 15 118.647 0.400 . 1 . . . . 11 GLU N . 16970 1 151 . 1 1 12 12 PHE H H 1 8.696 0.020 . 1 . . . . 12 PHE H . 16970 1 152 . 1 1 12 12 PHE HA H 1 5.058 0.020 . 1 . . . . 12 PHE HA . 16970 1 153 . 1 1 12 12 PHE HB2 H 1 3.184 0.020 . 2 . . . . 12 PHE HB2 . 16970 1 154 . 1 1 12 12 PHE HB3 H 1 3.085 0.020 . 2 . . . . 12 PHE HB3 . 16970 1 155 . 1 1 12 12 PHE HD1 H 1 7.391 0.020 . 1 . . . . 12 PHE HD1 . 16970 1 156 . 1 1 12 12 PHE HD2 H 1 7.391 0.020 . 1 . . . . 12 PHE HD2 . 16970 1 157 . 1 1 12 12 PHE HE1 H 1 7.340 0.020 . 1 . . . . 12 PHE HE1 . 16970 1 158 . 1 1 12 12 PHE HE2 H 1 7.340 0.020 . 1 . . . . 12 PHE HE2 . 16970 1 159 . 1 1 12 12 PHE C C 13 173.019 0.400 . 1 . . . . 12 PHE C . 16970 1 160 . 1 1 12 12 PHE CA C 13 57.361 0.400 . 1 . . . . 12 PHE CA . 16970 1 161 . 1 1 12 12 PHE CB C 13 41.490 0.400 . 1 . . . . 12 PHE CB . 16970 1 162 . 1 1 12 12 PHE CD1 C 13 133.910 0.400 . 1 . . . . 12 PHE CD1 . 16970 1 163 . 1 1 12 12 PHE CD2 C 13 133.910 0.400 . 1 . . . . 12 PHE CD2 . 16970 1 164 . 1 1 12 12 PHE CE1 C 13 130.610 0.400 . 1 . . . . 12 PHE CE1 . 16970 1 165 . 1 1 12 12 PHE CE2 C 13 130.610 0.400 . 1 . . . . 12 PHE CE2 . 16970 1 166 . 1 1 12 12 PHE N N 15 126.216 0.400 . 1 . . . . 12 PHE N . 16970 1 167 . 1 1 13 13 LYS H H 1 7.889 0.020 . 1 . . . . 13 LYS H . 16970 1 168 . 1 1 13 13 LYS HA H 1 4.612 0.020 . 1 . . . . 13 LYS HA . 16970 1 169 . 1 1 13 13 LYS HB2 H 1 1.552 0.020 . 2 . . . . 13 LYS HB2 . 16970 1 170 . 1 1 13 13 LYS HB3 H 1 1.511 0.020 . 2 . . . . 13 LYS HB3 . 16970 1 171 . 1 1 13 13 LYS HD2 H 1 1.644 0.020 . 2 . . . . 13 LYS HD2 . 16970 1 172 . 1 1 13 13 LYS HD3 H 1 1.644 0.020 . 2 . . . . 13 LYS HD3 . 16970 1 173 . 1 1 13 13 LYS HE2 H 1 2.955 0.020 . 2 . . . . 13 LYS HE2 . 16970 1 174 . 1 1 13 13 LYS HE3 H 1 2.955 0.020 . 2 . . . . 13 LYS HE3 . 16970 1 175 . 1 1 13 13 LYS HG2 H 1 1.341 0.020 . 2 . . . . 13 LYS HG2 . 16970 1 176 . 1 1 13 13 LYS HG3 H 1 1.282 0.020 . 2 . . . . 13 LYS HG3 . 16970 1 177 . 1 1 13 13 LYS C C 13 174.351 0.400 . 1 . . . . 13 LYS C . 16970 1 178 . 1 1 13 13 LYS CA C 13 53.219 0.400 . 1 . . . . 13 LYS CA . 16970 1 179 . 1 1 13 13 LYS CB C 13 32.669 0.400 . 1 . . . . 13 LYS CB . 16970 1 180 . 1 1 13 13 LYS CD C 13 28.541 0.400 . 1 . . . . 13 LYS CD . 16970 1 181 . 1 1 13 13 LYS CE C 13 41.790 0.400 . 1 . . . . 13 LYS CE . 16970 1 182 . 1 1 13 13 LYS CG C 13 24.301 0.400 . 1 . . . . 13 LYS CG . 16970 1 183 . 1 1 13 13 LYS N N 15 128.129 0.400 . 1 . . . . 13 LYS N . 16970 1 184 . 1 1 14 14 ALA H H 1 8.566 0.020 . 1 . . . . 14 ALA H . 16970 1 185 . 1 1 14 14 ALA HA H 1 4.055 0.020 . 1 . . . . 14 ALA HA . 16970 1 186 . 1 1 14 14 ALA HB1 H 1 1.279 0.020 . 1 . . . . 14 ALA HB . 16970 1 187 . 1 1 14 14 ALA HB2 H 1 1.279 0.020 . 1 . . . . 14 ALA HB . 16970 1 188 . 1 1 14 14 ALA HB3 H 1 1.279 0.020 . 1 . . . . 14 ALA HB . 16970 1 189 . 1 1 14 14 ALA C C 13 178.882 0.400 . 1 . . . . 14 ALA C . 16970 1 190 . 1 1 14 14 ALA CA C 13 52.529 0.400 . 1 . . . . 14 ALA CA . 16970 1 191 . 1 1 14 14 ALA CB C 13 20.566 0.400 . 1 . . . . 14 ALA CB . 16970 1 192 . 1 1 14 14 ALA N N 15 126.865 0.400 . 1 . . . . 14 ALA N . 16970 1 193 . 1 1 15 15 GLU H H 1 9.189 0.020 . 1 . . . . 15 GLU H . 16970 1 194 . 1 1 15 15 GLU HA H 1 4.424 0.020 . 1 . . . . 15 GLU HA . 16970 1 195 . 1 1 15 15 GLU HB2 H 1 1.673 0.020 . 2 . . . . 15 GLU HB2 . 16970 1 196 . 1 1 15 15 GLU HB3 H 1 1.673 0.020 . 2 . . . . 15 GLU HB3 . 16970 1 197 . 1 1 15 15 GLU HG2 H 1 2.205 0.020 . 2 . . . . 15 GLU HG2 . 16970 1 198 . 1 1 15 15 GLU HG3 H 1 2.113 0.020 . 2 . . . . 15 GLU HG3 . 16970 1 199 . 1 1 15 15 GLU C C 13 175.640 0.400 . 1 . . . . 15 GLU C . 16970 1 200 . 1 1 15 15 GLU CA C 13 55.849 0.400 . 1 . . . . 15 GLU CA . 16970 1 201 . 1 1 15 15 GLU CB C 13 32.058 0.400 . 1 . . . . 15 GLU CB . 16970 1 202 . 1 1 15 15 GLU CG C 13 36.516 0.400 . 1 . . . . 15 GLU CG . 16970 1 203 . 1 1 15 15 GLU N N 15 120.687 0.400 . 1 . . . . 15 GLU N . 16970 1 204 . 1 1 16 16 ARG H H 1 7.345 0.020 . 1 . . . . 16 ARG H . 16970 1 205 . 1 1 16 16 ARG HA H 1 4.621 0.020 . 1 . . . . 16 ARG HA . 16970 1 206 . 1 1 16 16 ARG HB2 H 1 1.572 0.020 . 2 . . . . 16 ARG HB2 . 16970 1 207 . 1 1 16 16 ARG HB3 H 1 1.962 0.020 . 2 . . . . 16 ARG HB3 . 16970 1 208 . 1 1 16 16 ARG HD2 H 1 3.287 0.020 . 2 . . . . 16 ARG HD2 . 16970 1 209 . 1 1 16 16 ARG HD3 H 1 3.137 0.020 . 2 . . . . 16 ARG HD3 . 16970 1 210 . 1 1 16 16 ARG HG2 H 1 1.546 0.020 . 2 . . . . 16 ARG HG2 . 16970 1 211 . 1 1 16 16 ARG HG3 H 1 1.474 0.020 . 2 . . . . 16 ARG HG3 . 16970 1 212 . 1 1 16 16 ARG C C 13 176.587 0.400 . 1 . . . . 16 ARG C . 16970 1 213 . 1 1 16 16 ARG CA C 13 52.868 0.400 . 1 . . . . 16 ARG CA . 16970 1 214 . 1 1 16 16 ARG CB C 13 33.925 0.400 . 1 . . . . 16 ARG CB . 16970 1 215 . 1 1 16 16 ARG CD C 13 42.670 0.400 . 1 . . . . 16 ARG CD . 16970 1 216 . 1 1 16 16 ARG CG C 13 26.950 0.400 . 1 . . . . 16 ARG CG . 16970 1 217 . 1 1 16 16 ARG N N 15 117.608 0.400 . 1 . . . . 16 ARG N . 16970 1 218 . 1 1 17 17 ASP H H 1 8.517 0.020 . 1 . . . . 17 ASP H . 16970 1 219 . 1 1 17 17 ASP HA H 1 4.308 0.020 . 1 . . . . 17 ASP HA . 16970 1 220 . 1 1 17 17 ASP HB2 H 1 2.559 0.020 . 2 . . . . 17 ASP HB2 . 16970 1 221 . 1 1 17 17 ASP HB3 H 1 2.559 0.020 . 2 . . . . 17 ASP HB3 . 16970 1 222 . 1 1 17 17 ASP C C 13 175.870 0.400 . 1 . . . . 17 ASP C . 16970 1 223 . 1 1 17 17 ASP CA C 13 56.519 0.400 . 1 . . . . 17 ASP CA . 16970 1 224 . 1 1 17 17 ASP CB C 13 40.480 0.400 . 1 . . . . 17 ASP CB . 16970 1 225 . 1 1 17 17 ASP N N 15 120.300 0.400 . 1 . . . . 17 ASP N . 16970 1 226 . 1 1 18 18 ASP H H 1 8.496 0.020 . 1 . . . . 18 ASP H . 16970 1 227 . 1 1 18 18 ASP HA H 1 4.475 0.020 . 1 . . . . 18 ASP HA . 16970 1 228 . 1 1 18 18 ASP HB2 H 1 2.790 0.020 . 2 . . . . 18 ASP HB2 . 16970 1 229 . 1 1 18 18 ASP HB3 H 1 2.433 0.020 . 2 . . . . 18 ASP HB3 . 16970 1 230 . 1 1 18 18 ASP C C 13 175.671 0.400 . 1 . . . . 18 ASP C . 16970 1 231 . 1 1 18 18 ASP CA C 13 54.350 0.400 . 1 . . . . 18 ASP CA . 16970 1 232 . 1 1 18 18 ASP CB C 13 39.439 0.400 . 1 . . . . 18 ASP CB . 16970 1 233 . 1 1 18 18 ASP N N 15 114.058 0.400 . 1 . . . . 18 ASP N . 16970 1 234 . 1 1 19 19 GLU H H 1 7.532 0.020 . 1 . . . . 19 GLU H . 16970 1 235 . 1 1 19 19 GLU HA H 1 4.808 0.020 . 1 . . . . 19 GLU HA . 16970 1 236 . 1 1 19 19 GLU HB2 H 1 2.339 0.020 . 2 . . . . 19 GLU HB2 . 16970 1 237 . 1 1 19 19 GLU HB3 H 1 2.301 0.020 . 2 . . . . 19 GLU HB3 . 16970 1 238 . 1 1 19 19 GLU C C 13 175.069 0.400 . 1 . . . . 19 GLU C . 16970 1 239 . 1 1 19 19 GLU CA C 13 56.099 0.400 . 1 . . . . 19 GLU CA . 16970 1 240 . 1 1 19 19 GLU CB C 13 31.910 0.400 . 1 . . . . 19 GLU CB . 16970 1 241 . 1 1 19 19 GLU N N 15 118.769 0.400 . 1 . . . . 19 GLU N . 16970 1 242 . 1 1 20 20 LEU H H 1 9.164 0.020 . 1 . . . . 20 LEU H . 16970 1 243 . 1 1 20 20 LEU HA H 1 4.588 0.020 . 1 . . . . 20 LEU HA . 16970 1 244 . 1 1 20 20 LEU HB2 H 1 1.959 0.020 . 2 . . . . 20 LEU HB2 . 16970 1 245 . 1 1 20 20 LEU HB3 H 1 1.959 0.020 . 2 . . . . 20 LEU HB3 . 16970 1 246 . 1 1 20 20 LEU HD11 H 1 0.875 0.020 . 2 . . . . 20 LEU HD1 . 16970 1 247 . 1 1 20 20 LEU HD12 H 1 0.875 0.020 . 2 . . . . 20 LEU HD1 . 16970 1 248 . 1 1 20 20 LEU HD13 H 1 0.875 0.020 . 2 . . . . 20 LEU HD1 . 16970 1 249 . 1 1 20 20 LEU HD21 H 1 0.636 0.020 . 2 . . . . 20 LEU HD2 . 16970 1 250 . 1 1 20 20 LEU HD22 H 1 0.636 0.020 . 2 . . . . 20 LEU HD2 . 16970 1 251 . 1 1 20 20 LEU HD23 H 1 0.636 0.020 . 2 . . . . 20 LEU HD2 . 16970 1 252 . 1 1 20 20 LEU HG H 1 1.511 0.020 . 1 . . . . 20 LEU HG . 16970 1 253 . 1 1 20 20 LEU C C 13 173.296 0.400 . 1 . . . . 20 LEU C . 16970 1 254 . 1 1 20 20 LEU CA C 13 53.429 0.400 . 1 . . . . 20 LEU CA . 16970 1 255 . 1 1 20 20 LEU CB C 13 45.608 0.400 . 1 . . . . 20 LEU CB . 16970 1 256 . 1 1 20 20 LEU CD1 C 13 24.466 0.400 . 1 . . . . 20 LEU CD1 . 16970 1 257 . 1 1 20 20 LEU CD2 C 13 26.320 0.400 . 1 . . . . 20 LEU CD2 . 16970 1 258 . 1 1 20 20 LEU CG C 13 26.200 0.400 . 1 . . . . 20 LEU CG . 16970 1 259 . 1 1 20 20 LEU N N 15 126.537 0.400 . 1 . . . . 20 LEU N . 16970 1 260 . 1 1 21 21 ASP H H 1 8.012 0.020 . 1 . . . . 21 ASP H . 16970 1 261 . 1 1 21 21 ASP HA H 1 5.117 0.020 . 1 . . . . 21 ASP HA . 16970 1 262 . 1 1 21 21 ASP HB2 H 1 2.739 0.020 . 2 . . . . 21 ASP HB2 . 16970 1 263 . 1 1 21 21 ASP HB3 H 1 2.549 0.020 . 2 . . . . 21 ASP HB3 . 16970 1 264 . 1 1 21 21 ASP C C 13 177.619 0.400 . 1 . . . . 21 ASP C . 16970 1 265 . 1 1 21 21 ASP CA C 13 54.928 0.400 . 1 . . . . 21 ASP CA . 16970 1 266 . 1 1 21 21 ASP CB C 13 42.656 0.400 . 1 . . . . 21 ASP CB . 16970 1 267 . 1 1 21 21 ASP N N 15 123.389 0.400 . 1 . . . . 21 ASP N . 16970 1 268 . 1 1 22 22 VAL H H 1 8.961 0.020 . 1 . . . . 22 VAL H . 16970 1 269 . 1 1 22 22 VAL HA H 1 4.772 0.020 . 1 . . . . 22 VAL HA . 16970 1 270 . 1 1 22 22 VAL HB H 1 2.499 0.020 . 1 . . . . 22 VAL HB . 16970 1 271 . 1 1 22 22 VAL HG11 H 1 1.263 0.020 . 2 . . . . 22 VAL HG1 . 16970 1 272 . 1 1 22 22 VAL HG12 H 1 1.263 0.020 . 2 . . . . 22 VAL HG1 . 16970 1 273 . 1 1 22 22 VAL HG13 H 1 1.263 0.020 . 2 . . . . 22 VAL HG1 . 16970 1 274 . 1 1 22 22 VAL HG21 H 1 0.954 0.020 . 2 . . . . 22 VAL HG2 . 16970 1 275 . 1 1 22 22 VAL HG22 H 1 0.954 0.020 . 2 . . . . 22 VAL HG2 . 16970 1 276 . 1 1 22 22 VAL HG23 H 1 0.954 0.020 . 2 . . . . 22 VAL HG2 . 16970 1 277 . 1 1 22 22 VAL C C 13 175.153 0.400 . 1 . . . . 22 VAL C . 16970 1 278 . 1 1 22 22 VAL CA C 13 60.157 0.400 . 1 . . . . 22 VAL CA . 16970 1 279 . 1 1 22 22 VAL CB C 13 36.803 0.400 . 1 . . . . 22 VAL CB . 16970 1 280 . 1 1 22 22 VAL CG1 C 13 20.329 0.400 . 1 . . . . 22 VAL CG1 . 16970 1 281 . 1 1 22 22 VAL CG2 C 13 23.803 0.400 . 1 . . . . 22 VAL CG2 . 16970 1 282 . 1 1 22 22 VAL N N 15 115.176 0.400 . 1 . . . . 22 VAL N . 16970 1 283 . 1 1 23 23 SER H H 1 9.190 0.020 . 1 . . . . 23 SER H . 16970 1 284 . 1 1 23 23 SER HA H 1 5.028 0.020 . 1 . . . . 23 SER HA . 16970 1 285 . 1 1 23 23 SER HB2 H 1 3.983 0.020 . 2 . . . . 23 SER HB2 . 16970 1 286 . 1 1 23 23 SER HB3 H 1 3.621 0.020 . 2 . . . . 23 SER HB3 . 16970 1 287 . 1 1 23 23 SER C C 13 171.618 0.400 . 1 . . . . 23 SER C . 16970 1 288 . 1 1 23 23 SER CA C 13 56.587 0.400 . 1 . . . . 23 SER CA . 16970 1 289 . 1 1 23 23 SER CB C 13 63.278 0.400 . 1 . . . . 23 SER CB . 16970 1 290 . 1 1 23 23 SER N N 15 119.367 0.400 . 1 . . . . 23 SER N . 16970 1 291 . 1 1 24 24 PRO HA H 1 3.749 0.020 . 1 . . . . 24 PRO HA . 16970 1 292 . 1 1 24 24 PRO HB2 H 1 1.830 0.020 . 2 . . . . 24 PRO HB2 . 16970 1 293 . 1 1 24 24 PRO HB3 H 1 1.934 0.020 . 2 . . . . 24 PRO HB3 . 16970 1 294 . 1 1 24 24 PRO HD2 H 1 3.791 0.020 . 2 . . . . 24 PRO HD2 . 16970 1 295 . 1 1 24 24 PRO HD3 H 1 3.639 0.020 . 2 . . . . 24 PRO HD3 . 16970 1 296 . 1 1 24 24 PRO HG2 H 1 1.892 0.020 . 2 . . . . 24 PRO HG2 . 16970 1 297 . 1 1 24 24 PRO HG3 H 1 2.232 0.020 . 2 . . . . 24 PRO HG3 . 16970 1 298 . 1 1 24 24 PRO C C 13 176.802 0.400 . 1 . . . . 24 PRO C . 16970 1 299 . 1 1 24 24 PRO CA C 13 63.649 0.400 . 1 . . . . 24 PRO CA . 16970 1 300 . 1 1 24 24 PRO CB C 13 31.560 0.400 . 1 . . . . 24 PRO CB . 16970 1 301 . 1 1 24 24 PRO CD C 13 50.699 0.400 . 1 . . . . 24 PRO CD . 16970 1 302 . 1 1 24 24 PRO CG C 13 28.190 0.400 . 1 . . . . 24 PRO CG . 16970 1 303 . 1 1 25 25 GLY H H 1 8.639 0.020 . 1 . . . . 25 GLY H . 16970 1 304 . 1 1 25 25 GLY HA2 H 1 3.492 0.020 . 2 . . . . 25 GLY HA2 . 16970 1 305 . 1 1 25 25 GLY HA3 H 1 4.149 0.020 . 2 . . . . 25 GLY HA3 . 16970 1 306 . 1 1 25 25 GLY C C 13 174.375 0.400 . 1 . . . . 25 GLY C . 16970 1 307 . 1 1 25 25 GLY CA C 13 45.479 0.400 . 1 . . . . 25 GLY CA . 16970 1 308 . 1 1 25 25 GLY N N 15 111.820 0.400 . 1 . . . . 25 GLY N . 16970 1 309 . 1 1 26 26 GLU H H 1 8.157 0.020 . 1 . . . . 26 GLU H . 16970 1 310 . 1 1 26 26 GLU HA H 1 4.532 0.020 . 1 . . . . 26 GLU HA . 16970 1 311 . 1 1 26 26 GLU HB2 H 1 2.234 0.020 . 2 . . . . 26 GLU HB2 . 16970 1 312 . 1 1 26 26 GLU HB3 H 1 1.873 0.020 . 2 . . . . 26 GLU HB3 . 16970 1 313 . 1 1 26 26 GLU HG2 H 1 2.467 0.020 . 2 . . . . 26 GLU HG2 . 16970 1 314 . 1 1 26 26 GLU HG3 H 1 2.024 0.020 . 2 . . . . 26 GLU HG3 . 16970 1 315 . 1 1 26 26 GLU C C 13 176.125 0.400 . 1 . . . . 26 GLU C . 16970 1 316 . 1 1 26 26 GLU CA C 13 57.179 0.400 . 1 . . . . 26 GLU CA . 16970 1 317 . 1 1 26 26 GLU CB C 13 31.950 0.400 . 1 . . . . 26 GLU CB . 16970 1 318 . 1 1 26 26 GLU CG C 13 37.940 0.400 . 1 . . . . 26 GLU CG . 16970 1 319 . 1 1 26 26 GLU N N 15 118.953 0.400 . 1 . . . . 26 GLU N . 16970 1 320 . 1 1 27 27 ASN H H 1 9.036 0.020 . 1 . . . . 27 ASN H . 16970 1 321 . 1 1 27 27 ASN HA H 1 5.483 0.020 . 1 . . . . 27 ASN HA . 16970 1 322 . 1 1 27 27 ASN HB2 H 1 2.718 0.020 . 2 . . . . 27 ASN HB2 . 16970 1 323 . 1 1 27 27 ASN HB3 H 1 2.507 0.020 . 2 . . . . 27 ASN HB3 . 16970 1 324 . 1 1 27 27 ASN HD21 H 1 7.187 0.020 . 2 . . . . 27 ASN HD21 . 16970 1 325 . 1 1 27 27 ASN HD22 H 1 6.738 0.020 . 2 . . . . 27 ASN HD22 . 16970 1 326 . 1 1 27 27 ASN C C 13 175.387 0.400 . 1 . . . . 27 ASN C . 16970 1 327 . 1 1 27 27 ASN CA C 13 53.054 0.400 . 1 . . . . 27 ASN CA . 16970 1 328 . 1 1 27 27 ASN CB C 13 39.620 0.400 . 1 . . . . 27 ASN CB . 16970 1 329 . 1 1 27 27 ASN N N 15 122.372 0.400 . 1 . . . . 27 ASN N . 16970 1 330 . 1 1 27 27 ASN ND2 N 15 108.978 0.400 . 1 . . . . 27 ASN ND2 . 16970 1 331 . 1 1 28 28 LEU H H 1 9.648 0.020 . 1 . . . . 28 LEU H . 16970 1 332 . 1 1 28 28 LEU HA H 1 5.108 0.020 . 1 . . . . 28 LEU HA . 16970 1 333 . 1 1 28 28 LEU HB2 H 1 1.406 0.020 . 2 . . . . 28 LEU HB2 . 16970 1 334 . 1 1 28 28 LEU HB3 H 1 1.234 0.020 . 2 . . . . 28 LEU HB3 . 16970 1 335 . 1 1 28 28 LEU HD11 H 1 0.607 0.020 . 2 . . . . 28 LEU HD1 . 16970 1 336 . 1 1 28 28 LEU HD12 H 1 0.607 0.020 . 2 . . . . 28 LEU HD1 . 16970 1 337 . 1 1 28 28 LEU HD13 H 1 0.607 0.020 . 2 . . . . 28 LEU HD1 . 16970 1 338 . 1 1 28 28 LEU HD21 H 1 0.627 0.020 . 2 . . . . 28 LEU HD2 . 16970 1 339 . 1 1 28 28 LEU HD22 H 1 0.627 0.020 . 2 . . . . 28 LEU HD2 . 16970 1 340 . 1 1 28 28 LEU HD23 H 1 0.627 0.020 . 2 . . . . 28 LEU HD2 . 16970 1 341 . 1 1 28 28 LEU C C 13 175.710 0.400 . 1 . . . . 28 LEU C . 16970 1 342 . 1 1 28 28 LEU CA C 13 53.149 0.400 . 1 . . . . 28 LEU CA . 16970 1 343 . 1 1 28 28 LEU CB C 13 46.640 0.400 . 1 . . . . 28 LEU CB . 16970 1 344 . 1 1 28 28 LEU CD1 C 13 22.250 0.400 . 1 . . . . 28 LEU CD1 . 16970 1 345 . 1 1 28 28 LEU CD2 C 13 26.320 0.400 . 1 . . . . 28 LEU CD2 . 16970 1 346 . 1 1 28 28 LEU N N 15 122.421 0.400 . 1 . . . . 28 LEU N . 16970 1 347 . 1 1 29 29 SER H H 1 9.046 0.020 . 1 . . . . 29 SER H . 16970 1 348 . 1 1 29 29 SER HA H 1 4.790 0.020 . 1 . . . . 29 SER HA . 16970 1 349 . 1 1 29 29 SER HB2 H 1 3.697 0.020 . 2 . . . . 29 SER HB2 . 16970 1 350 . 1 1 29 29 SER HB3 H 1 3.672 0.020 . 2 . . . . 29 SER HB3 . 16970 1 351 . 1 1 29 29 SER C C 13 174.277 0.400 . 1 . . . . 29 SER C . 16970 1 352 . 1 1 29 29 SER CA C 13 56.689 0.400 . 1 . . . . 29 SER CA . 16970 1 353 . 1 1 29 29 SER CB C 13 64.429 0.400 . 1 . . . . 29 SER CB . 16970 1 354 . 1 1 29 29 SER N N 15 115.172 0.400 . 1 . . . . 29 SER N . 16970 1 355 . 1 1 30 30 ILE H H 1 8.154 0.020 . 1 . . . . 30 ILE H . 16970 1 356 . 1 1 30 30 ILE HA H 1 3.998 0.020 . 1 . . . . 30 ILE HA . 16970 1 357 . 1 1 30 30 ILE HB H 1 1.392 0.020 . 1 . . . . 30 ILE HB . 16970 1 358 . 1 1 30 30 ILE HD11 H 1 -0.080 0.020 . 1 . . . . 30 ILE HD1 . 16970 1 359 . 1 1 30 30 ILE HD12 H 1 -0.080 0.020 . 1 . . . . 30 ILE HD1 . 16970 1 360 . 1 1 30 30 ILE HD13 H 1 -0.080 0.020 . 1 . . . . 30 ILE HD1 . 16970 1 361 . 1 1 30 30 ILE HG12 H 1 0.554 0.020 . 2 . . . . 30 ILE HG12 . 16970 1 362 . 1 1 30 30 ILE HG13 H 1 0.414 0.020 . 2 . . . . 30 ILE HG13 . 16970 1 363 . 1 1 30 30 ILE HG21 H 1 0.055 0.020 . 1 . . . . 30 ILE HG2 . 16970 1 364 . 1 1 30 30 ILE HG22 H 1 0.055 0.020 . 1 . . . . 30 ILE HG2 . 16970 1 365 . 1 1 30 30 ILE HG23 H 1 0.055 0.020 . 1 . . . . 30 ILE HG2 . 16970 1 366 . 1 1 30 30 ILE C C 13 175.303 0.400 . 1 . . . . 30 ILE C . 16970 1 367 . 1 1 30 30 ILE CA C 13 59.419 0.400 . 1 . . . . 30 ILE CA . 16970 1 368 . 1 1 30 30 ILE CB C 13 36.510 0.400 . 1 . . . . 30 ILE CB . 16970 1 369 . 1 1 30 30 ILE CD1 C 13 10.612 0.400 . 1 . . . . 30 ILE CD1 . 16970 1 370 . 1 1 30 30 ILE CG1 C 13 26.600 0.400 . 1 . . . . 30 ILE CG1 . 16970 1 371 . 1 1 30 30 ILE CG2 C 13 18.328 0.400 . 1 . . . . 30 ILE CG2 . 16970 1 372 . 1 1 30 30 ILE N N 15 124.915 0.400 . 1 . . . . 30 ILE N . 16970 1 373 . 1 1 31 31 CYS H H 1 8.649 0.020 . 1 . . . . 31 CYS H . 16970 1 374 . 1 1 31 31 CYS HA H 1 4.296 0.020 . 1 . . . . 31 CYS HA . 16970 1 375 . 1 1 31 31 CYS HB2 H 1 1.685 0.020 . 2 . . . . 31 CYS HB2 . 16970 1 376 . 1 1 31 31 CYS HB3 H 1 2.103 0.020 . 2 . . . . 31 CYS HB3 . 16970 1 377 . 1 1 31 31 CYS C C 13 173.090 0.400 . 1 . . . . 31 CYS C . 16970 1 378 . 1 1 31 31 CYS CA C 13 58.400 0.400 . 1 . . . . 31 CYS CA . 16970 1 379 . 1 1 31 31 CYS CB C 13 28.820 0.400 . 1 . . . . 31 CYS CB . 16970 1 380 . 1 1 31 31 CYS N N 15 122.342 0.400 . 1 . . . . 31 CYS N . 16970 1 381 . 1 1 32 32 ALA H H 1 7.315 0.020 . 1 . . . . 32 ALA H . 16970 1 382 . 1 1 32 32 ALA HA H 1 4.919 0.020 . 1 . . . . 32 ALA HA . 16970 1 383 . 1 1 32 32 ALA HB1 H 1 0.748 0.020 . 1 . . . . 32 ALA HB . 16970 1 384 . 1 1 32 32 ALA HB2 H 1 0.748 0.020 . 1 . . . . 32 ALA HB . 16970 1 385 . 1 1 32 32 ALA HB3 H 1 0.748 0.020 . 1 . . . . 32 ALA HB . 16970 1 386 . 1 1 32 32 ALA C C 13 175.703 0.400 . 1 . . . . 32 ALA C . 16970 1 387 . 1 1 32 32 ALA CA C 13 51.347 0.400 . 1 . . . . 32 ALA CA . 16970 1 388 . 1 1 32 32 ALA CB C 13 21.521 0.400 . 1 . . . . 32 ALA CB . 16970 1 389 . 1 1 32 32 ALA N N 15 115.303 0.400 . 1 . . . . 32 ALA N . 16970 1 390 . 1 1 33 33 HIS H H 1 8.976 0.020 . 1 . . . . 33 HIS H . 16970 1 391 . 1 1 33 33 HIS HA H 1 5.756 0.020 . 1 . . . . 33 HIS HA . 16970 1 392 . 1 1 33 33 HIS HB2 H 1 3.079 0.020 . 2 . . . . 33 HIS HB2 . 16970 1 393 . 1 1 33 33 HIS HB3 H 1 2.736 0.020 . 2 . . . . 33 HIS HB3 . 16970 1 394 . 1 1 33 33 HIS HD2 H 1 6.615 0.020 . 1 . . . . 33 HIS HD2 . 16970 1 395 . 1 1 33 33 HIS HE1 H 1 6.085 0.020 . 1 . . . . 33 HIS HE1 . 16970 1 396 . 1 1 33 33 HIS C C 13 171.885 0.400 . 1 . . . . 33 HIS C . 16970 1 397 . 1 1 33 33 HIS CA C 13 54.770 0.400 . 1 . . . . 33 HIS CA . 16970 1 398 . 1 1 33 33 HIS CB C 13 37.197 0.400 . 1 . . . . 33 HIS CB . 16970 1 399 . 1 1 33 33 HIS CD2 C 13 118.200 0.400 . 1 . . . . 33 HIS CD2 . 16970 1 400 . 1 1 33 33 HIS CE1 C 13 137.893 0.400 . 1 . . . . 33 HIS CE1 . 16970 1 401 . 1 1 33 33 HIS N N 15 118.030 0.400 . 1 . . . . 33 HIS N . 16970 1 402 . 1 1 34 34 TYR H H 1 9.123 0.020 . 1 . . . . 34 TYR H . 16970 1 403 . 1 1 34 34 TYR HA H 1 4.593 0.020 . 1 . . . . 34 TYR HA . 16970 1 404 . 1 1 34 34 TYR HB2 H 1 2.559 0.020 . 2 . . . . 34 TYR HB2 . 16970 1 405 . 1 1 34 34 TYR HB3 H 1 3.044 0.020 . 2 . . . . 34 TYR HB3 . 16970 1 406 . 1 1 34 34 TYR HD1 H 1 7.191 0.020 . 1 . . . . 34 TYR HD1 . 16970 1 407 . 1 1 34 34 TYR HD2 H 1 7.191 0.020 . 1 . . . . 34 TYR HD2 . 16970 1 408 . 1 1 34 34 TYR HE1 H 1 6.998 0.020 . 1 . . . . 34 TYR HE1 . 16970 1 409 . 1 1 34 34 TYR HE2 H 1 6.998 0.020 . 1 . . . . 34 TYR HE2 . 16970 1 410 . 1 1 34 34 TYR C C 13 174.564 0.400 . 1 . . . . 34 TYR C . 16970 1 411 . 1 1 34 34 TYR CA C 13 57.509 0.400 . 1 . . . . 34 TYR CA . 16970 1 412 . 1 1 34 34 TYR CB C 13 41.442 0.400 . 1 . . . . 34 TYR CB . 16970 1 413 . 1 1 34 34 TYR CD1 C 13 134.469 0.400 . 1 . . . . 34 TYR CD1 . 16970 1 414 . 1 1 34 34 TYR CD2 C 13 134.469 0.400 . 1 . . . . 34 TYR CD2 . 16970 1 415 . 1 1 34 34 TYR CE1 C 13 120.100 0.400 . 1 . . . . 34 TYR CE1 . 16970 1 416 . 1 1 34 34 TYR CE2 C 13 120.100 0.400 . 1 . . . . 34 TYR CE2 . 16970 1 417 . 1 1 34 34 TYR N N 15 121.040 0.400 . 1 . . . . 34 TYR N . 16970 1 418 . 1 1 35 35 ASP H H 1 8.847 0.020 . 1 . . . . 35 ASP H . 16970 1 419 . 1 1 35 35 ASP HA H 1 4.131 0.020 . 1 . . . . 35 ASP HA . 16970 1 420 . 1 1 35 35 ASP HB2 H 1 3.044 0.020 . 2 . . . . 35 ASP HB2 . 16970 1 421 . 1 1 35 35 ASP HB3 H 1 2.036 0.020 . 2 . . . . 35 ASP HB3 . 16970 1 422 . 1 1 35 35 ASP C C 13 173.477 0.400 . 1 . . . . 35 ASP C . 16970 1 423 . 1 1 35 35 ASP CA C 13 55.339 0.400 . 1 . . . . 35 ASP CA . 16970 1 424 . 1 1 35 35 ASP CB C 13 40.970 0.400 . 1 . . . . 35 ASP CB . 16970 1 425 . 1 1 35 35 ASP N N 15 129.040 0.400 . 1 . . . . 35 ASP N . 16970 1 426 . 1 1 36 36 TYR H H 1 10.305 0.020 . 1 . . . . 36 TYR H . 16970 1 427 . 1 1 36 36 TYR HA H 1 3.367 0.020 . 1 . . . . 36 TYR HA . 16970 1 428 . 1 1 36 36 TYR HB2 H 1 3.204 0.020 . 2 . . . . 36 TYR HB2 . 16970 1 429 . 1 1 36 36 TYR HB3 H 1 2.940 0.020 . 2 . . . . 36 TYR HB3 . 16970 1 430 . 1 1 36 36 TYR HD1 H 1 6.698 0.020 . 1 . . . . 36 TYR HD1 . 16970 1 431 . 1 1 36 36 TYR HD2 H 1 6.698 0.020 . 1 . . . . 36 TYR HD2 . 16970 1 432 . 1 1 36 36 TYR HE1 H 1 6.744 0.020 . 1 . . . . 36 TYR HE1 . 16970 1 433 . 1 1 36 36 TYR HE2 H 1 6.744 0.020 . 1 . . . . 36 TYR HE2 . 16970 1 434 . 1 1 36 36 TYR C C 13 173.600 0.400 . 1 . . . . 36 TYR C . 16970 1 435 . 1 1 36 36 TYR CA C 13 59.413 0.400 . 1 . . . . 36 TYR CA . 16970 1 436 . 1 1 36 36 TYR CB C 13 35.390 0.400 . 1 . . . . 36 TYR CB . 16970 1 437 . 1 1 36 36 TYR CD1 C 13 134.280 0.400 . 1 . . . . 36 TYR CD1 . 16970 1 438 . 1 1 36 36 TYR CD2 C 13 134.280 0.400 . 1 . . . . 36 TYR CD2 . 16970 1 439 . 1 1 36 36 TYR CE1 C 13 119.500 0.400 . 1 . . . . 36 TYR CE1 . 16970 1 440 . 1 1 36 36 TYR CE2 C 13 119.500 0.400 . 1 . . . . 36 TYR CE2 . 16970 1 441 . 1 1 36 36 TYR N N 15 113.032 0.400 . 1 . . . . 36 TYR N . 16970 1 442 . 1 1 37 37 GLU H H 1 8.551 0.020 . 1 . . . . 37 GLU H . 16970 1 443 . 1 1 37 37 GLU HA H 1 4.482 0.020 . 1 . . . . 37 GLU HA . 16970 1 444 . 1 1 37 37 GLU HB2 H 1 2.156 0.020 . 2 . . . . 37 GLU HB2 . 16970 1 445 . 1 1 37 37 GLU HB3 H 1 2.156 0.020 . 2 . . . . 37 GLU HB3 . 16970 1 446 . 1 1 37 37 GLU HG2 H 1 2.436 0.020 . 2 . . . . 37 GLU HG2 . 16970 1 447 . 1 1 37 37 GLU HG3 H 1 2.237 0.020 . 2 . . . . 37 GLU HG3 . 16970 1 448 . 1 1 37 37 GLU C C 13 177.206 0.400 . 1 . . . . 37 GLU C . 16970 1 449 . 1 1 37 37 GLU CA C 13 57.057 0.400 . 1 . . . . 37 GLU CA . 16970 1 450 . 1 1 37 37 GLU CB C 13 33.268 0.400 . 1 . . . . 37 GLU CB . 16970 1 451 . 1 1 37 37 GLU CG C 13 36.877 0.400 . 1 . . . . 37 GLU CG . 16970 1 452 . 1 1 37 37 GLU N N 15 116.227 0.400 . 1 . . . . 37 GLU N . 16970 1 453 . 1 1 38 38 TRP H H 1 8.040 0.020 . 1 . . . . 38 TRP H . 16970 1 454 . 1 1 38 38 TRP HA H 1 4.998 0.020 . 1 . . . . 38 TRP HA . 16970 1 455 . 1 1 38 38 TRP HB2 H 1 2.936 0.020 . 2 . . . . 38 TRP HB2 . 16970 1 456 . 1 1 38 38 TRP HB3 H 1 3.226 0.020 . 2 . . . . 38 TRP HB3 . 16970 1 457 . 1 1 38 38 TRP HD1 H 1 7.456 0.020 . 1 . . . . 38 TRP HD1 . 16970 1 458 . 1 1 38 38 TRP HE1 H 1 9.925 0.020 . 1 . . . . 38 TRP HE1 . 16970 1 459 . 1 1 38 38 TRP HE3 H 1 7.115 0.020 . 1 . . . . 38 TRP HE3 . 16970 1 460 . 1 1 38 38 TRP HH2 H 1 7.068 0.020 . 1 . . . . 38 TRP HH2 . 16970 1 461 . 1 1 38 38 TRP HZ2 H 1 7.453 0.020 . 1 . . . . 38 TRP HZ2 . 16970 1 462 . 1 1 38 38 TRP HZ3 H 1 6.641 0.020 . 1 . . . . 38 TRP HZ3 . 16970 1 463 . 1 1 38 38 TRP C C 13 175.595 0.400 . 1 . . . . 38 TRP C . 16970 1 464 . 1 1 38 38 TRP CA C 13 55.969 0.400 . 1 . . . . 38 TRP CA . 16970 1 465 . 1 1 38 38 TRP CB C 13 33.510 0.400 . 1 . . . . 38 TRP CB . 16970 1 466 . 1 1 38 38 TRP CD1 C 13 129.200 0.400 . 1 . . . . 38 TRP CD1 . 16970 1 467 . 1 1 38 38 TRP CE3 C 13 121.050 0.400 . 1 . . . . 38 TRP CE3 . 16970 1 468 . 1 1 38 38 TRP CH2 C 13 125.115 0.400 . 1 . . . . 38 TRP CH2 . 16970 1 469 . 1 1 38 38 TRP CZ2 C 13 116.105 0.400 . 1 . . . . 38 TRP CZ2 . 16970 1 470 . 1 1 38 38 TRP CZ3 C 13 121.800 0.400 . 1 . . . . 38 TRP CZ3 . 16970 1 471 . 1 1 38 38 TRP N N 15 119.887 0.400 . 1 . . . . 38 TRP N . 16970 1 472 . 1 1 38 38 TRP NE1 N 15 130.475 0.400 . 1 . . . . 38 TRP NE1 . 16970 1 473 . 1 1 39 39 PHE H H 1 9.766 0.020 . 1 . . . . 39 PHE H . 16970 1 474 . 1 1 39 39 PHE HA H 1 5.835 0.020 . 1 . . . . 39 PHE HA . 16970 1 475 . 1 1 39 39 PHE HB2 H 1 2.637 0.020 . 2 . . . . 39 PHE HB2 . 16970 1 476 . 1 1 39 39 PHE HB3 H 1 3.008 0.020 . 2 . . . . 39 PHE HB3 . 16970 1 477 . 1 1 39 39 PHE HD1 H 1 7.163 0.020 . 1 . . . . 39 PHE HD1 . 16970 1 478 . 1 1 39 39 PHE HD2 H 1 7.163 0.020 . 1 . . . . 39 PHE HD2 . 16970 1 479 . 1 1 39 39 PHE HE1 H 1 6.946 0.020 . 1 . . . . 39 PHE HE1 . 16970 1 480 . 1 1 39 39 PHE HE2 H 1 6.946 0.020 . 1 . . . . 39 PHE HE2 . 16970 1 481 . 1 1 39 39 PHE HZ H 1 6.764 0.020 . 1 . . . . 39 PHE HZ . 16970 1 482 . 1 1 39 39 PHE C C 13 176.278 0.400 . 1 . . . . 39 PHE C . 16970 1 483 . 1 1 39 39 PHE CA C 13 54.779 0.400 . 1 . . . . 39 PHE CA . 16970 1 484 . 1 1 39 39 PHE CB C 13 41.640 0.400 . 1 . . . . 39 PHE CB . 16970 1 485 . 1 1 39 39 PHE CD1 C 13 132.600 0.400 . 1 . . . . 39 PHE CD1 . 16970 1 486 . 1 1 39 39 PHE CD2 C 13 132.600 0.400 . 1 . . . . 39 PHE CD2 . 16970 1 487 . 1 1 39 39 PHE CE1 C 13 132.111 0.400 . 1 . . . . 39 PHE CE1 . 16970 1 488 . 1 1 39 39 PHE CE2 C 13 132.111 0.400 . 1 . . . . 39 PHE CE2 . 16970 1 489 . 1 1 39 39 PHE CZ C 13 129.677 0.400 . 1 . . . . 39 PHE CZ . 16970 1 490 . 1 1 39 39 PHE N N 15 119.004 0.400 . 1 . . . . 39 PHE N . 16970 1 491 . 1 1 40 40 ILE H H 1 8.098 0.020 . 1 . . . . 40 ILE H . 16970 1 492 . 1 1 40 40 ILE HA H 1 4.314 0.020 . 1 . . . . 40 ILE HA . 16970 1 493 . 1 1 40 40 ILE HB H 1 0.953 0.020 . 1 . . . . 40 ILE HB . 16970 1 494 . 1 1 40 40 ILE HD11 H 1 0.465 0.020 . 1 . . . . 40 ILE HD1 . 16970 1 495 . 1 1 40 40 ILE HD12 H 1 0.465 0.020 . 1 . . . . 40 ILE HD1 . 16970 1 496 . 1 1 40 40 ILE HD13 H 1 0.465 0.020 . 1 . . . . 40 ILE HD1 . 16970 1 497 . 1 1 40 40 ILE HG12 H 1 0.870 0.020 . 2 . . . . 40 ILE HG12 . 16970 1 498 . 1 1 40 40 ILE HG13 H 1 0.792 0.020 . 2 . . . . 40 ILE HG13 . 16970 1 499 . 1 1 40 40 ILE HG21 H 1 -0.331 0.020 . 1 . . . . 40 ILE HG2 . 16970 1 500 . 1 1 40 40 ILE HG22 H 1 -0.331 0.020 . 1 . . . . 40 ILE HG2 . 16970 1 501 . 1 1 40 40 ILE HG23 H 1 -0.331 0.020 . 1 . . . . 40 ILE HG2 . 16970 1 502 . 1 1 40 40 ILE C C 13 174.375 0.400 . 1 . . . . 40 ILE C . 16970 1 503 . 1 1 40 40 ILE CA C 13 59.749 0.400 . 1 . . . . 40 ILE CA . 16970 1 504 . 1 1 40 40 ILE CB C 13 35.520 0.400 . 1 . . . . 40 ILE CB . 16970 1 505 . 1 1 40 40 ILE CD1 C 13 12.128 0.400 . 1 . . . . 40 ILE CD1 . 16970 1 506 . 1 1 40 40 ILE CG1 C 13 27.740 0.400 . 1 . . . . 40 ILE CG1 . 16970 1 507 . 1 1 40 40 ILE CG2 C 13 17.870 0.400 . 1 . . . . 40 ILE CG2 . 16970 1 508 . 1 1 40 40 ILE N N 15 118.322 0.400 . 1 . . . . 40 ILE N . 16970 1 509 . 1 1 41 41 ALA H H 1 9.393 0.020 . 1 . . . . 41 ALA H . 16970 1 510 . 1 1 41 41 ALA HA H 1 5.416 0.020 . 1 . . . . 41 ALA HA . 16970 1 511 . 1 1 41 41 ALA HB1 H 1 1.167 0.020 . 1 . . . . 41 ALA HB . 16970 1 512 . 1 1 41 41 ALA HB2 H 1 1.167 0.020 . 1 . . . . 41 ALA HB . 16970 1 513 . 1 1 41 41 ALA HB3 H 1 1.167 0.020 . 1 . . . . 41 ALA HB . 16970 1 514 . 1 1 41 41 ALA C C 13 174.850 0.400 . 1 . . . . 41 ALA C . 16970 1 515 . 1 1 41 41 ALA CA C 13 49.682 0.400 . 1 . . . . 41 ALA CA . 16970 1 516 . 1 1 41 41 ALA CB C 13 25.638 0.400 . 1 . . . . 41 ALA CB . 16970 1 517 . 1 1 41 41 ALA N N 15 130.698 0.400 . 1 . . . . 41 ALA N . 16970 1 518 . 1 1 42 42 LYS H H 1 8.746 0.020 . 1 . . . . 42 LYS H . 16970 1 519 . 1 1 42 42 LYS HA H 1 4.957 0.020 . 1 . . . . 42 LYS HA . 16970 1 520 . 1 1 42 42 LYS HB2 H 1 1.909 0.020 . 2 . . . . 42 LYS HB2 . 16970 1 521 . 1 1 42 42 LYS HB3 H 1 1.569 0.020 . 2 . . . . 42 LYS HB3 . 16970 1 522 . 1 1 42 42 LYS HD2 H 1 1.626 0.020 . 2 . . . . 42 LYS HD2 . 16970 1 523 . 1 1 42 42 LYS HD3 H 1 1.626 0.020 . 2 . . . . 42 LYS HD3 . 16970 1 524 . 1 1 42 42 LYS HE2 H 1 2.992 0.020 . 2 . . . . 42 LYS HE2 . 16970 1 525 . 1 1 42 42 LYS HE3 H 1 2.992 0.020 . 2 . . . . 42 LYS HE3 . 16970 1 526 . 1 1 42 42 LYS HG2 H 1 1.492 0.020 . 2 . . . . 42 LYS HG2 . 16970 1 527 . 1 1 42 42 LYS HG3 H 1 1.492 0.020 . 2 . . . . 42 LYS HG3 . 16970 1 528 . 1 1 42 42 LYS C C 13 173.268 0.400 . 1 . . . . 42 LYS C . 16970 1 529 . 1 1 42 42 LYS CA C 13 52.579 0.400 . 1 . . . . 42 LYS CA . 16970 1 530 . 1 1 42 42 LYS CB C 13 36.470 0.400 . 1 . . . . 42 LYS CB . 16970 1 531 . 1 1 42 42 LYS CD C 13 29.160 0.400 . 1 . . . . 42 LYS CD . 16970 1 532 . 1 1 42 42 LYS CE C 13 41.910 0.400 . 1 . . . . 42 LYS CE . 16970 1 533 . 1 1 42 42 LYS CG C 13 24.780 0.400 . 1 . . . . 42 LYS CG . 16970 1 534 . 1 1 42 42 LYS N N 15 117.901 0.400 . 1 . . . . 42 LYS N . 16970 1 535 . 1 1 43 43 PRO HA H 1 4.797 0.020 . 1 . . . . 43 PRO HA . 16970 1 536 . 1 1 43 43 PRO HB2 H 1 2.233 0.020 . 2 . . . . 43 PRO HB2 . 16970 1 537 . 1 1 43 43 PRO HB3 H 1 2.198 0.020 . 2 . . . . 43 PRO HB3 . 16970 1 538 . 1 1 43 43 PRO HD2 H 1 3.910 0.020 . 2 . . . . 43 PRO HD2 . 16970 1 539 . 1 1 43 43 PRO HD3 H 1 3.514 0.020 . 2 . . . . 43 PRO HD3 . 16970 1 540 . 1 1 43 43 PRO HG2 H 1 2.010 0.020 . 2 . . . . 43 PRO HG2 . 16970 1 541 . 1 1 43 43 PRO HG3 H 1 2.010 0.020 . 2 . . . . 43 PRO HG3 . 16970 1 542 . 1 1 43 43 PRO C C 13 176.058 0.400 . 1 . . . . 43 PRO C . 16970 1 543 . 1 1 43 43 PRO CA C 13 63.154 0.400 . 1 . . . . 43 PRO CA . 16970 1 544 . 1 1 43 43 PRO CB C 13 32.400 0.400 . 1 . . . . 43 PRO CB . 16970 1 545 . 1 1 43 43 PRO CD C 13 50.895 0.400 . 1 . . . . 43 PRO CD . 16970 1 546 . 1 1 43 43 PRO CG C 13 27.114 0.400 . 1 . . . . 43 PRO CG . 16970 1 547 . 1 1 44 44 ILE H H 1 7.739 0.020 . 1 . . . . 44 ILE H . 16970 1 548 . 1 1 44 44 ILE HA H 1 4.288 0.020 . 1 . . . . 44 ILE HA . 16970 1 549 . 1 1 44 44 ILE HB H 1 1.778 0.020 . 1 . . . . 44 ILE HB . 16970 1 550 . 1 1 44 44 ILE HD11 H 1 0.766 0.020 . 1 . . . . 44 ILE HD1 . 16970 1 551 . 1 1 44 44 ILE HD12 H 1 0.766 0.020 . 1 . . . . 44 ILE HD1 . 16970 1 552 . 1 1 44 44 ILE HD13 H 1 0.766 0.020 . 1 . . . . 44 ILE HD1 . 16970 1 553 . 1 1 44 44 ILE HG12 H 1 1.445 0.020 . 2 . . . . 44 ILE HG12 . 16970 1 554 . 1 1 44 44 ILE HG13 H 1 1.015 0.020 . 2 . . . . 44 ILE HG13 . 16970 1 555 . 1 1 44 44 ILE HG21 H 1 0.939 0.020 . 1 . . . . 44 ILE HG2 . 16970 1 556 . 1 1 44 44 ILE HG22 H 1 0.939 0.020 . 1 . . . . 44 ILE HG2 . 16970 1 557 . 1 1 44 44 ILE HG23 H 1 0.939 0.020 . 1 . . . . 44 ILE HG2 . 16970 1 558 . 1 1 44 44 ILE C C 13 177.195 0.400 . 1 . . . . 44 ILE C . 16970 1 559 . 1 1 44 44 ILE CA C 13 62.526 0.400 . 1 . . . . 44 ILE CA . 16970 1 560 . 1 1 44 44 ILE CB C 13 39.015 0.400 . 1 . . . . 44 ILE CB . 16970 1 561 . 1 1 44 44 ILE CD1 C 13 13.681 0.400 . 1 . . . . 44 ILE CD1 . 16970 1 562 . 1 1 44 44 ILE CG1 C 13 27.480 0.400 . 1 . . . . 44 ILE CG1 . 16970 1 563 . 1 1 44 44 ILE CG2 C 13 17.962 0.400 . 1 . . . . 44 ILE CG2 . 16970 1 564 . 1 1 44 44 ILE N N 15 118.520 0.400 . 1 . . . . 44 ILE N . 16970 1 565 . 1 1 45 45 ASN H H 1 9.273 0.020 . 1 . . . . 45 ASN H . 16970 1 566 . 1 1 45 45 ASN HA H 1 5.014 0.020 . 1 . . . . 45 ASN HA . 16970 1 567 . 1 1 45 45 ASN HB2 H 1 2.680 0.020 . 2 . . . . 45 ASN HB2 . 16970 1 568 . 1 1 45 45 ASN HB3 H 1 3.155 0.020 . 2 . . . . 45 ASN HB3 . 16970 1 569 . 1 1 45 45 ASN HD21 H 1 7.867 0.020 . 2 . . . . 45 ASN HD21 . 16970 1 570 . 1 1 45 45 ASN HD22 H 1 7.217 0.020 . 2 . . . . 45 ASN HD22 . 16970 1 571 . 1 1 45 45 ASN C C 13 173.615 0.400 . 1 . . . . 45 ASN C . 16970 1 572 . 1 1 45 45 ASN CA C 13 53.623 0.400 . 1 . . . . 45 ASN CA . 16970 1 573 . 1 1 45 45 ASN CB C 13 39.921 0.400 . 1 . . . . 45 ASN CB . 16970 1 574 . 1 1 45 45 ASN N N 15 117.622 0.400 . 1 . . . . 45 ASN N . 16970 1 575 . 1 1 45 45 ASN ND2 N 15 112.560 0.400 . 1 . . . . 45 ASN ND2 . 16970 1 576 . 1 1 46 46 ARG H H 1 7.366 0.020 . 1 . . . . 46 ARG H . 16970 1 577 . 1 1 46 46 ARG HA H 1 4.650 0.020 . 1 . . . . 46 ARG HA . 16970 1 578 . 1 1 46 46 ARG HB2 H 1 2.125 0.020 . 2 . . . . 46 ARG HB2 . 16970 1 579 . 1 1 46 46 ARG HB3 H 1 1.838 0.020 . 2 . . . . 46 ARG HB3 . 16970 1 580 . 1 1 46 46 ARG HD2 H 1 3.172 0.020 . 2 . . . . 46 ARG HD2 . 16970 1 581 . 1 1 46 46 ARG HD3 H 1 3.061 0.020 . 2 . . . . 46 ARG HD3 . 16970 1 582 . 1 1 46 46 ARG HE H 1 9.448 0.020 . 1 . . . . 46 ARG HE . 16970 1 583 . 1 1 46 46 ARG HG2 H 1 1.519 0.020 . 2 . . . . 46 ARG HG2 . 16970 1 584 . 1 1 46 46 ARG HG3 H 1 1.461 0.020 . 2 . . . . 46 ARG HG3 . 16970 1 585 . 1 1 46 46 ARG C C 13 174.218 0.400 . 1 . . . . 46 ARG C . 16970 1 586 . 1 1 46 46 ARG CA C 13 54.372 0.400 . 1 . . . . 46 ARG CA . 16970 1 587 . 1 1 46 46 ARG CB C 13 31.870 0.400 . 1 . . . . 46 ARG CB . 16970 1 588 . 1 1 46 46 ARG CD C 13 43.570 0.400 . 1 . . . . 46 ARG CD . 16970 1 589 . 1 1 46 46 ARG CG C 13 25.700 0.400 . 1 . . . . 46 ARG CG . 16970 1 590 . 1 1 46 46 ARG N N 15 113.592 0.400 . 1 . . . . 46 ARG N . 16970 1 591 . 1 1 46 46 ARG NE N 15 88.096 0.400 . 1 . . . . 46 ARG NE . 16970 1 592 . 1 1 47 47 LEU H H 1 8.244 0.020 . 1 . . . . 47 LEU H . 16970 1 593 . 1 1 47 47 LEU HA H 1 4.424 0.020 . 1 . . . . 47 LEU HA . 16970 1 594 . 1 1 47 47 LEU HB2 H 1 1.719 0.020 . 2 . . . . 47 LEU HB2 . 16970 1 595 . 1 1 47 47 LEU HB3 H 1 1.573 0.020 . 2 . . . . 47 LEU HB3 . 16970 1 596 . 1 1 47 47 LEU HD11 H 1 0.951 0.020 . 2 . . . . 47 LEU HD1 . 16970 1 597 . 1 1 47 47 LEU HD12 H 1 0.951 0.020 . 2 . . . . 47 LEU HD1 . 16970 1 598 . 1 1 47 47 LEU HD13 H 1 0.951 0.020 . 2 . . . . 47 LEU HD1 . 16970 1 599 . 1 1 47 47 LEU HD21 H 1 0.906 0.020 . 2 . . . . 47 LEU HD2 . 16970 1 600 . 1 1 47 47 LEU HD22 H 1 0.906 0.020 . 2 . . . . 47 LEU HD2 . 16970 1 601 . 1 1 47 47 LEU HD23 H 1 0.906 0.020 . 2 . . . . 47 LEU HD2 . 16970 1 602 . 1 1 47 47 LEU HG H 1 1.714 0.020 . 1 . . . . 47 LEU HG . 16970 1 603 . 1 1 47 47 LEU C C 13 177.300 0.400 . 1 . . . . 47 LEU C . 16970 1 604 . 1 1 47 47 LEU CA C 13 55.208 0.400 . 1 . . . . 47 LEU CA . 16970 1 605 . 1 1 47 47 LEU CB C 13 42.390 0.400 . 1 . . . . 47 LEU CB . 16970 1 606 . 1 1 47 47 LEU CD1 C 13 25.016 0.400 . 1 . . . . 47 LEU CD1 . 16970 1 607 . 1 1 47 47 LEU CD2 C 13 23.350 0.400 . 1 . . . . 47 LEU CD2 . 16970 1 608 . 1 1 47 47 LEU CG C 13 27.250 0.400 . 1 . . . . 47 LEU CG . 16970 1 609 . 1 1 47 47 LEU N N 15 119.086 0.400 . 1 . . . . 47 LEU N . 16970 1 610 . 1 1 48 48 GLY H H 1 8.139 0.020 . 1 . . . . 48 GLY H . 16970 1 611 . 1 1 48 48 GLY HA2 H 1 4.371 0.020 . 2 . . . . 48 GLY HA2 . 16970 1 612 . 1 1 48 48 GLY HA3 H 1 3.922 0.020 . 2 . . . . 48 GLY HA3 . 16970 1 613 . 1 1 48 48 GLY C C 13 173.814 0.400 . 1 . . . . 48 GLY C . 16970 1 614 . 1 1 48 48 GLY CA C 13 44.120 0.400 . 1 . . . . 48 GLY CA . 16970 1 615 . 1 1 48 48 GLY N N 15 108.892 0.400 . 1 . . . . 48 GLY N . 16970 1 616 . 1 1 49 49 GLY H H 1 8.745 0.020 . 1 . . . . 49 GLY H . 16970 1 617 . 1 1 49 49 GLY HA2 H 1 4.072 0.020 . 2 . . . . 49 GLY HA2 . 16970 1 618 . 1 1 49 49 GLY HA3 H 1 3.560 0.020 . 2 . . . . 49 GLY HA3 . 16970 1 619 . 1 1 49 49 GLY C C 13 171.260 0.400 . 1 . . . . 49 GLY C . 16970 1 620 . 1 1 49 49 GLY CA C 13 44.645 0.400 . 1 . . . . 49 GLY CA . 16970 1 621 . 1 1 49 49 GLY N N 15 105.605 0.400 . 1 . . . . 49 GLY N . 16970 1 622 . 1 1 50 50 PRO HA H 1 5.038 0.020 . 1 . . . . 50 PRO HA . 16970 1 623 . 1 1 50 50 PRO HB2 H 1 2.081 0.020 . 2 . . . . 50 PRO HB2 . 16970 1 624 . 1 1 50 50 PRO HB3 H 1 1.661 0.020 . 2 . . . . 50 PRO HB3 . 16970 1 625 . 1 1 50 50 PRO HD2 H 1 3.867 0.020 . 2 . . . . 50 PRO HD2 . 16970 1 626 . 1 1 50 50 PRO HD3 H 1 3.699 0.020 . 2 . . . . 50 PRO HD3 . 16970 1 627 . 1 1 50 50 PRO HG2 H 1 2.024 0.020 . 2 . . . . 50 PRO HG2 . 16970 1 628 . 1 1 50 50 PRO HG3 H 1 2.024 0.020 . 2 . . . . 50 PRO HG3 . 16970 1 629 . 1 1 50 50 PRO C C 13 175.391 0.400 . 1 . . . . 50 PRO C . 16970 1 630 . 1 1 50 50 PRO CA C 13 61.669 0.400 . 1 . . . . 50 PRO CA . 16970 1 631 . 1 1 50 50 PRO CB C 13 35.390 0.400 . 1 . . . . 50 PRO CB . 16970 1 632 . 1 1 50 50 PRO CD C 13 50.839 0.400 . 1 . . . . 50 PRO CD . 16970 1 633 . 1 1 50 50 PRO CG C 13 24.811 0.400 . 1 . . . . 50 PRO CG . 16970 1 634 . 1 1 51 51 GLY H H 1 8.768 0.020 . 1 . . . . 51 GLY H . 16970 1 635 . 1 1 51 51 GLY HA2 H 1 4.525 0.020 . 2 . . . . 51 GLY HA2 . 16970 1 636 . 1 1 51 51 GLY HA3 H 1 4.007 0.020 . 2 . . . . 51 GLY HA3 . 16970 1 637 . 1 1 51 51 GLY C C 13 171.065 0.400 . 1 . . . . 51 GLY C . 16970 1 638 . 1 1 51 51 GLY CA C 13 45.995 0.400 . 1 . . . . 51 GLY CA . 16970 1 639 . 1 1 51 51 GLY N N 15 104.632 0.400 . 1 . . . . 51 GLY N . 16970 1 640 . 1 1 52 52 LEU H H 1 9.516 0.020 . 1 . . . . 52 LEU H . 16970 1 641 . 1 1 52 52 LEU HA H 1 5.282 0.020 . 1 . . . . 52 LEU HA . 16970 1 642 . 1 1 52 52 LEU HB2 H 1 1.602 0.020 . 2 . . . . 52 LEU HB2 . 16970 1 643 . 1 1 52 52 LEU HB3 H 1 1.431 0.020 . 2 . . . . 52 LEU HB3 . 16970 1 644 . 1 1 52 52 LEU HD11 H 1 0.530 0.020 . 2 . . . . 52 LEU HD1 . 16970 1 645 . 1 1 52 52 LEU HD12 H 1 0.530 0.020 . 2 . . . . 52 LEU HD1 . 16970 1 646 . 1 1 52 52 LEU HD13 H 1 0.530 0.020 . 2 . . . . 52 LEU HD1 . 16970 1 647 . 1 1 52 52 LEU HD21 H 1 0.120 0.020 . 2 . . . . 52 LEU HD2 . 16970 1 648 . 1 1 52 52 LEU HD22 H 1 0.120 0.020 . 2 . . . . 52 LEU HD2 . 16970 1 649 . 1 1 52 52 LEU HD23 H 1 0.120 0.020 . 2 . . . . 52 LEU HD2 . 16970 1 650 . 1 1 52 52 LEU HG H 1 1.409 0.020 . 1 . . . . 52 LEU HG . 16970 1 651 . 1 1 52 52 LEU C C 13 176.658 0.400 . 1 . . . . 52 LEU C . 16970 1 652 . 1 1 52 52 LEU CA C 13 55.066 0.400 . 1 . . . . 52 LEU CA . 16970 1 653 . 1 1 52 52 LEU CB C 13 44.850 0.400 . 1 . . . . 52 LEU CB . 16970 1 654 . 1 1 52 52 LEU CD1 C 13 23.684 0.400 . 1 . . . . 52 LEU CD1 . 16970 1 655 . 1 1 52 52 LEU CD2 C 13 24.795 0.400 . 1 . . . . 52 LEU CD2 . 16970 1 656 . 1 1 52 52 LEU CG C 13 27.377 0.400 . 1 . . . . 52 LEU CG . 16970 1 657 . 1 1 52 52 LEU N N 15 121.124 0.400 . 1 . . . . 52 LEU N . 16970 1 658 . 1 1 53 53 VAL H H 1 9.321 0.020 . 1 . . . . 53 VAL H . 16970 1 659 . 1 1 53 53 VAL HA H 1 4.562 0.020 . 1 . . . . 53 VAL HA . 16970 1 660 . 1 1 53 53 VAL HB H 1 1.874 0.020 . 1 . . . . 53 VAL HB . 16970 1 661 . 1 1 53 53 VAL HG11 H 1 0.893 0.020 . 2 . . . . 53 VAL HG1 . 16970 1 662 . 1 1 53 53 VAL HG12 H 1 0.893 0.020 . 2 . . . . 53 VAL HG1 . 16970 1 663 . 1 1 53 53 VAL HG13 H 1 0.893 0.020 . 2 . . . . 53 VAL HG1 . 16970 1 664 . 1 1 53 53 VAL HG21 H 1 0.870 0.020 . 2 . . . . 53 VAL HG2 . 16970 1 665 . 1 1 53 53 VAL HG22 H 1 0.870 0.020 . 2 . . . . 53 VAL HG2 . 16970 1 666 . 1 1 53 53 VAL HG23 H 1 0.870 0.020 . 2 . . . . 53 VAL HG2 . 16970 1 667 . 1 1 53 53 VAL C C 13 172.426 0.400 . 1 . . . . 53 VAL C . 16970 1 668 . 1 1 53 53 VAL CA C 13 58.147 0.400 . 1 . . . . 53 VAL CA . 16970 1 669 . 1 1 53 53 VAL CB C 13 36.898 0.400 . 1 . . . . 53 VAL CB . 16970 1 670 . 1 1 53 53 VAL CG1 C 13 20.877 0.400 . 1 . . . . 53 VAL CG1 . 16970 1 671 . 1 1 53 53 VAL CG2 C 13 21.613 0.400 . 1 . . . . 53 VAL CG2 . 16970 1 672 . 1 1 53 53 VAL N N 15 117.969 0.400 . 1 . . . . 53 VAL N . 16970 1 673 . 1 1 54 54 PRO HA H 1 3.802 0.020 . 1 . . . . 54 PRO HA . 16970 1 674 . 1 1 54 54 PRO C C 13 177.119 0.400 . 1 . . . . 54 PRO C . 16970 1 675 . 1 1 54 54 PRO CA C 13 62.955 0.400 . 1 . . . . 54 PRO CA . 16970 1 676 . 1 1 55 55 VAL H H 1 7.684 0.020 . 1 . . . . 55 VAL H . 16970 1 677 . 1 1 55 55 VAL HA H 1 3.219 0.020 . 1 . . . . 55 VAL HA . 16970 1 678 . 1 1 55 55 VAL HB H 1 1.456 0.020 . 1 . . . . 55 VAL HB . 16970 1 679 . 1 1 55 55 VAL HG11 H 1 -0.541 0.020 . 2 . . . . 55 VAL HG1 . 16970 1 680 . 1 1 55 55 VAL HG12 H 1 -0.541 0.020 . 2 . . . . 55 VAL HG1 . 16970 1 681 . 1 1 55 55 VAL HG13 H 1 -0.541 0.020 . 2 . . . . 55 VAL HG1 . 16970 1 682 . 1 1 55 55 VAL HG21 H 1 0.539 0.020 . 2 . . . . 55 VAL HG2 . 16970 1 683 . 1 1 55 55 VAL HG22 H 1 0.539 0.020 . 2 . . . . 55 VAL HG2 . 16970 1 684 . 1 1 55 55 VAL HG23 H 1 0.539 0.020 . 2 . . . . 55 VAL HG2 . 16970 1 685 . 1 1 55 55 VAL C C 13 176.927 0.400 . 1 . . . . 55 VAL C . 16970 1 686 . 1 1 55 55 VAL CA C 13 65.113 0.400 . 1 . . . . 55 VAL CA . 16970 1 687 . 1 1 55 55 VAL CB C 13 31.550 0.400 . 1 . . . . 55 VAL CB . 16970 1 688 . 1 1 55 55 VAL CG1 C 13 20.390 0.400 . 1 . . . . 55 VAL CG1 . 16970 1 689 . 1 1 55 55 VAL CG2 C 13 20.918 0.400 . 1 . . . . 55 VAL CG2 . 16970 1 690 . 1 1 55 55 VAL N N 15 124.748 0.400 . 1 . . . . 55 VAL N . 16970 1 691 . 1 1 56 56 SER H H 1 8.183 0.020 . 1 . . . . 56 SER H . 16970 1 692 . 1 1 56 56 SER HA H 1 4.248 0.020 . 1 . . . . 56 SER HA . 16970 1 693 . 1 1 56 56 SER HB2 H 1 3.849 0.020 . 2 . . . . 56 SER HB2 . 16970 1 694 . 1 1 56 56 SER HB3 H 1 3.849 0.020 . 2 . . . . 56 SER HB3 . 16970 1 695 . 1 1 56 56 SER C C 13 174.851 0.400 . 1 . . . . 56 SER C . 16970 1 696 . 1 1 56 56 SER CA C 13 59.489 0.400 . 1 . . . . 56 SER CA . 16970 1 697 . 1 1 56 56 SER CB C 13 64.796 0.400 . 1 . . . . 56 SER CB . 16970 1 698 . 1 1 56 56 SER N N 15 109.302 0.400 . 1 . . . . 56 SER N . 16970 1 699 . 1 1 57 57 TYR H H 1 7.728 0.020 . 1 . . . . 57 TYR H . 16970 1 700 . 1 1 57 57 TYR HA H 1 4.844 0.020 . 1 . . . . 57 TYR HA . 16970 1 701 . 1 1 57 57 TYR HB2 H 1 3.351 0.020 . 2 . . . . 57 TYR HB2 . 16970 1 702 . 1 1 57 57 TYR HB3 H 1 3.095 0.020 . 2 . . . . 57 TYR HB3 . 16970 1 703 . 1 1 57 57 TYR HE1 H 1 6.820 0.020 . 1 . . . . 57 TYR HE1 . 16970 1 704 . 1 1 57 57 TYR HE2 H 1 6.820 0.020 . 1 . . . . 57 TYR HE2 . 16970 1 705 . 1 1 57 57 TYR C C 13 175.107 0.400 . 1 . . . . 57 TYR C . 16970 1 706 . 1 1 57 57 TYR CA C 13 58.048 0.400 . 1 . . . . 57 TYR CA . 16970 1 707 . 1 1 57 57 TYR CB C 13 37.100 0.400 . 1 . . . . 57 TYR CB . 16970 1 708 . 1 1 57 57 TYR CE1 C 13 119.400 0.400 . 1 . . . . 57 TYR CE1 . 16970 1 709 . 1 1 57 57 TYR CE2 C 13 119.400 0.400 . 1 . . . . 57 TYR CE2 . 16970 1 710 . 1 1 57 57 TYR N N 15 120.402 0.400 . 1 . . . . 57 TYR N . 16970 1 711 . 1 1 58 58 VAL H H 1 7.841 0.020 . 1 . . . . 58 VAL H . 16970 1 712 . 1 1 58 58 VAL HA H 1 5.285 0.020 . 1 . . . . 58 VAL HA . 16970 1 713 . 1 1 58 58 VAL HB H 1 2.010 0.020 . 1 . . . . 58 VAL HB . 16970 1 714 . 1 1 58 58 VAL HG11 H 1 1.004 0.020 . 2 . . . . 58 VAL HG1 . 16970 1 715 . 1 1 58 58 VAL HG12 H 1 1.004 0.020 . 2 . . . . 58 VAL HG1 . 16970 1 716 . 1 1 58 58 VAL HG13 H 1 1.004 0.020 . 2 . . . . 58 VAL HG1 . 16970 1 717 . 1 1 58 58 VAL HG21 H 1 0.726 0.020 . 2 . . . . 58 VAL HG2 . 16970 1 718 . 1 1 58 58 VAL HG22 H 1 0.726 0.020 . 2 . . . . 58 VAL HG2 . 16970 1 719 . 1 1 58 58 VAL HG23 H 1 0.726 0.020 . 2 . . . . 58 VAL HG2 . 16970 1 720 . 1 1 58 58 VAL C C 13 172.688 0.400 . 1 . . . . 58 VAL C . 16970 1 721 . 1 1 58 58 VAL CA C 13 58.219 0.400 . 1 . . . . 58 VAL CA . 16970 1 722 . 1 1 58 58 VAL CB C 13 34.840 0.400 . 1 . . . . 58 VAL CB . 16970 1 723 . 1 1 58 58 VAL CG1 C 13 19.110 0.400 . 1 . . . . 58 VAL CG1 . 16970 1 724 . 1 1 58 58 VAL CG2 C 13 20.520 0.400 . 1 . . . . 58 VAL CG2 . 16970 1 725 . 1 1 58 58 VAL N N 15 111.878 0.400 . 1 . . . . 58 VAL N . 16970 1 726 . 1 1 59 59 ARG H H 1 8.873 0.020 . 1 . . . . 59 ARG H . 16970 1 727 . 1 1 59 59 ARG HA H 1 4.789 0.020 . 1 . . . . 59 ARG HA . 16970 1 728 . 1 1 59 59 ARG HB2 H 1 1.787 0.020 . 2 . . . . 59 ARG HB2 . 16970 1 729 . 1 1 59 59 ARG HB3 H 1 1.684 0.020 . 2 . . . . 59 ARG HB3 . 16970 1 730 . 1 1 59 59 ARG HD2 H 1 3.227 0.020 . 2 . . . . 59 ARG HD2 . 16970 1 731 . 1 1 59 59 ARG HD3 H 1 3.141 0.020 . 2 . . . . 59 ARG HD3 . 16970 1 732 . 1 1 59 59 ARG HE H 1 7.291 0.020 . 1 . . . . 59 ARG HE . 16970 1 733 . 1 1 59 59 ARG HG2 H 1 1.745 0.020 . 2 . . . . 59 ARG HG2 . 16970 1 734 . 1 1 59 59 ARG HG3 H 1 1.549 0.020 . 2 . . . . 59 ARG HG3 . 16970 1 735 . 1 1 59 59 ARG C C 13 175.702 0.400 . 1 . . . . 59 ARG C . 16970 1 736 . 1 1 59 59 ARG CA C 13 53.876 0.400 . 1 . . . . 59 ARG CA . 16970 1 737 . 1 1 59 59 ARG CB C 13 33.460 0.400 . 1 . . . . 59 ARG CB . 16970 1 738 . 1 1 59 59 ARG CD C 13 43.626 0.400 . 1 . . . . 59 ARG CD . 16970 1 739 . 1 1 59 59 ARG CG C 13 26.770 0.400 . 1 . . . . 59 ARG CG . 16970 1 740 . 1 1 59 59 ARG N N 15 119.875 0.400 . 1 . . . . 59 ARG N . 16970 1 741 . 1 1 59 59 ARG NE N 15 84.081 0.400 . 1 . . . . 59 ARG NE . 16970 1 742 . 1 1 60 60 ILE H H 1 8.810 0.020 . 1 . . . . 60 ILE H . 16970 1 743 . 1 1 60 60 ILE HA H 1 4.077 0.020 . 1 . . . . 60 ILE HA . 16970 1 744 . 1 1 60 60 ILE HB H 1 1.672 0.020 . 1 . . . . 60 ILE HB . 16970 1 745 . 1 1 60 60 ILE HD11 H 1 0.636 0.020 . 1 . . . . 60 ILE HD1 . 16970 1 746 . 1 1 60 60 ILE HD12 H 1 0.636 0.020 . 1 . . . . 60 ILE HD1 . 16970 1 747 . 1 1 60 60 ILE HD13 H 1 0.636 0.020 . 1 . . . . 60 ILE HD1 . 16970 1 748 . 1 1 60 60 ILE HG12 H 1 1.414 0.020 . 2 . . . . 60 ILE HG12 . 16970 1 749 . 1 1 60 60 ILE HG13 H 1 1.208 0.020 . 2 . . . . 60 ILE HG13 . 16970 1 750 . 1 1 60 60 ILE HG21 H 1 0.595 0.020 . 1 . . . . 60 ILE HG2 . 16970 1 751 . 1 1 60 60 ILE HG22 H 1 0.595 0.020 . 1 . . . . 60 ILE HG2 . 16970 1 752 . 1 1 60 60 ILE HG23 H 1 0.595 0.020 . 1 . . . . 60 ILE HG2 . 16970 1 753 . 1 1 60 60 ILE C C 13 175.024 0.400 . 1 . . . . 60 ILE C . 16970 1 754 . 1 1 60 60 ILE CA C 13 61.119 0.400 . 1 . . . . 60 ILE CA . 16970 1 755 . 1 1 60 60 ILE CB C 13 37.273 0.400 . 1 . . . . 60 ILE CB . 16970 1 756 . 1 1 60 60 ILE CD1 C 13 11.503 0.400 . 1 . . . . 60 ILE CD1 . 16970 1 757 . 1 1 60 60 ILE CG1 C 13 27.880 0.400 . 1 . . . . 60 ILE CG1 . 16970 1 758 . 1 1 60 60 ILE CG2 C 13 18.410 0.400 . 1 . . . . 60 ILE CG2 . 16970 1 759 . 1 1 60 60 ILE N N 15 126.551 0.400 . 1 . . . . 60 ILE N . 16970 1 760 . 1 1 61 61 ILE H H 1 8.393 0.020 . 1 . . . . 61 ILE H . 16970 1 761 . 1 1 61 61 ILE HA H 1 4.555 0.020 . 1 . . . . 61 ILE HA . 16970 1 762 . 1 1 61 61 ILE HB H 1 1.603 0.020 . 1 . . . . 61 ILE HB . 16970 1 763 . 1 1 61 61 ILE HD11 H 1 0.678 0.020 . 1 . . . . 61 ILE HD1 . 16970 1 764 . 1 1 61 61 ILE HD12 H 1 0.678 0.020 . 1 . . . . 61 ILE HD1 . 16970 1 765 . 1 1 61 61 ILE HD13 H 1 0.678 0.020 . 1 . . . . 61 ILE HD1 . 16970 1 766 . 1 1 61 61 ILE HG12 H 1 1.264 0.020 . 2 . . . . 61 ILE HG12 . 16970 1 767 . 1 1 61 61 ILE HG13 H 1 1.264 0.020 . 2 . . . . 61 ILE HG13 . 16970 1 768 . 1 1 61 61 ILE HG21 H 1 0.803 0.020 . 1 . . . . 61 ILE HG2 . 16970 1 769 . 1 1 61 61 ILE HG22 H 1 0.803 0.020 . 1 . . . . 61 ILE HG2 . 16970 1 770 . 1 1 61 61 ILE HG23 H 1 0.803 0.020 . 1 . . . . 61 ILE HG2 . 16970 1 771 . 1 1 61 61 ILE C C 13 173.443 0.400 . 1 . . . . 61 ILE C . 16970 1 772 . 1 1 61 61 ILE CA C 13 59.514 0.400 . 1 . . . . 61 ILE CA . 16970 1 773 . 1 1 61 61 ILE CB C 13 41.350 0.400 . 1 . . . . 61 ILE CB . 16970 1 774 . 1 1 61 61 ILE CD1 C 13 13.151 0.400 . 1 . . . . 61 ILE CD1 . 16970 1 775 . 1 1 61 61 ILE CG1 C 13 26.630 0.400 . 1 . . . . 61 ILE CG1 . 16970 1 776 . 1 1 61 61 ILE CG2 C 13 17.621 0.400 . 1 . . . . 61 ILE CG2 . 16970 1 777 . 1 1 61 61 ILE N N 15 123.598 0.400 . 1 . . . . 61 ILE N . 16970 1 778 . 1 1 62 62 ASP HA H 1 4.890 0.020 . 1 . . . . 62 ASP HA . 16970 1 779 . 1 1 62 62 ASP HB2 H 1 3.133 0.020 . 2 . . . . 62 ASP HB2 . 16970 1 780 . 1 1 62 62 ASP HB3 H 1 2.570 0.020 . 2 . . . . 62 ASP HB3 . 16970 1 781 . 1 1 62 62 ASP C C 13 177.029 0.400 . 1 . . . . 62 ASP C . 16970 1 782 . 1 1 62 62 ASP CA C 13 52.799 0.400 . 1 . . . . 62 ASP CA . 16970 1 783 . 1 1 62 62 ASP CB C 13 44.070 0.400 . 1 . . . . 62 ASP CB . 16970 1 784 . 1 1 63 63 LEU H H 1 8.450 0.020 . 1 . . . . 63 LEU H . 16970 1 785 . 1 1 63 63 LEU HA H 1 3.880 0.020 . 1 . . . . 63 LEU HA . 16970 1 786 . 1 1 63 63 LEU HB2 H 1 1.423 0.020 . 2 . . . . 63 LEU HB2 . 16970 1 787 . 1 1 63 63 LEU HB3 H 1 1.542 0.020 . 2 . . . . 63 LEU HB3 . 16970 1 788 . 1 1 63 63 LEU HD11 H 1 0.411 0.020 . 2 . . . . 63 LEU HD1 . 16970 1 789 . 1 1 63 63 LEU HD12 H 1 0.411 0.020 . 2 . . . . 63 LEU HD1 . 16970 1 790 . 1 1 63 63 LEU HD13 H 1 0.411 0.020 . 2 . . . . 63 LEU HD1 . 16970 1 791 . 1 1 63 63 LEU HD21 H 1 0.542 0.020 . 2 . . . . 63 LEU HD2 . 16970 1 792 . 1 1 63 63 LEU HD22 H 1 0.542 0.020 . 2 . . . . 63 LEU HD2 . 16970 1 793 . 1 1 63 63 LEU HD23 H 1 0.542 0.020 . 2 . . . . 63 LEU HD2 . 16970 1 794 . 1 1 63 63 LEU HG H 1 1.415 0.020 . 1 . . . . 63 LEU HG . 16970 1 795 . 1 1 63 63 LEU C C 13 178.137 0.400 . 1 . . . . 63 LEU C . 16970 1 796 . 1 1 63 63 LEU CA C 13 57.239 0.400 . 1 . . . . 63 LEU CA . 16970 1 797 . 1 1 63 63 LEU CB C 13 41.791 0.400 . 1 . . . . 63 LEU CB . 16970 1 798 . 1 1 63 63 LEU CD1 C 13 24.659 0.400 . 1 . . . . 63 LEU CD1 . 16970 1 799 . 1 1 63 63 LEU CD2 C 13 22.625 0.400 . 1 . . . . 63 LEU CD2 . 16970 1 800 . 1 1 63 63 LEU CG C 13 27.080 0.400 . 1 . . . . 63 LEU CG . 16970 1 801 . 1 1 63 63 LEU N N 15 124.286 0.400 . 1 . . . . 63 LEU N . 16970 1 802 . 1 1 64 64 MET H H 1 8.315 0.020 . 1 . . . . 64 MET H . 16970 1 803 . 1 1 64 64 MET HA H 1 4.513 0.020 . 1 . . . . 64 MET HA . 16970 1 804 . 1 1 64 64 MET HB2 H 1 2.131 0.020 . 2 . . . . 64 MET HB2 . 16970 1 805 . 1 1 64 64 MET HB3 H 1 2.131 0.020 . 2 . . . . 64 MET HB3 . 16970 1 806 . 1 1 64 64 MET HE1 H 1 2.103 0.020 . 1 . . . . 64 MET HE . 16970 1 807 . 1 1 64 64 MET HE2 H 1 2.103 0.020 . 1 . . . . 64 MET HE . 16970 1 808 . 1 1 64 64 MET HE3 H 1 2.103 0.020 . 1 . . . . 64 MET HE . 16970 1 809 . 1 1 64 64 MET HG2 H 1 2.716 0.020 . 2 . . . . 64 MET HG2 . 16970 1 810 . 1 1 64 64 MET HG3 H 1 2.517 0.020 . 2 . . . . 64 MET HG3 . 16970 1 811 . 1 1 64 64 MET C C 13 176.806 0.400 . 1 . . . . 64 MET C . 16970 1 812 . 1 1 64 64 MET CA C 13 55.574 0.400 . 1 . . . . 64 MET CA . 16970 1 813 . 1 1 64 64 MET CB C 13 32.514 0.400 . 1 . . . . 64 MET CB . 16970 1 814 . 1 1 64 64 MET CE C 13 16.954 0.400 . 1 . . . . 64 MET CE . 16970 1 815 . 1 1 64 64 MET CG C 13 32.614 0.400 . 1 . . . . 64 MET CG . 16970 1 816 . 1 1 64 64 MET N N 15 115.099 0.400 . 1 . . . . 64 MET N . 16970 1 817 . 1 1 65 65 ASP H H 1 7.912 0.020 . 1 . . . . 65 ASP H . 16970 1 818 . 1 1 65 65 ASP HA H 1 4.918 0.020 . 1 . . . . 65 ASP HA . 16970 1 819 . 1 1 65 65 ASP HB2 H 1 2.726 0.020 . 2 . . . . 65 ASP HB2 . 16970 1 820 . 1 1 65 65 ASP HB3 H 1 2.499 0.020 . 2 . . . . 65 ASP HB3 . 16970 1 821 . 1 1 65 65 ASP C C 13 174.010 0.400 . 1 . . . . 65 ASP C . 16970 1 822 . 1 1 65 65 ASP CA C 13 51.449 0.400 . 1 . . . . 65 ASP CA . 16970 1 823 . 1 1 65 65 ASP CB C 13 41.351 0.400 . 1 . . . . 65 ASP CB . 16970 1 824 . 1 1 65 65 ASP N N 15 117.431 0.400 . 1 . . . . 65 ASP N . 16970 1 825 . 1 1 66 66 PRO HA H 1 4.549 0.020 . 1 . . . . 66 PRO HA . 16970 1 826 . 1 1 66 66 PRO HB2 H 1 2.362 0.020 . 2 . . . . 66 PRO HB2 . 16970 1 827 . 1 1 66 66 PRO HB3 H 1 1.997 0.020 . 2 . . . . 66 PRO HB3 . 16970 1 828 . 1 1 66 66 PRO HD2 H 1 3.872 0.020 . 2 . . . . 66 PRO HD2 . 16970 1 829 . 1 1 66 66 PRO HD3 H 1 3.609 0.020 . 2 . . . . 66 PRO HD3 . 16970 1 830 . 1 1 66 66 PRO HG2 H 1 2.009 0.020 . 2 . . . . 66 PRO HG2 . 16970 1 831 . 1 1 66 66 PRO HG3 H 1 2.009 0.020 . 2 . . . . 66 PRO HG3 . 16970 1 832 . 1 1 66 66 PRO C C 13 177.528 0.400 . 1 . . . . 66 PRO C . 16970 1 833 . 1 1 66 66 PRO CA C 13 64.659 0.400 . 1 . . . . 66 PRO CA . 16970 1 834 . 1 1 66 66 PRO CB C 13 32.305 0.400 . 1 . . . . 66 PRO CB . 16970 1 835 . 1 1 66 66 PRO CD C 13 50.639 0.400 . 1 . . . . 66 PRO CD . 16970 1 836 . 1 1 66 66 PRO CG C 13 27.094 0.400 . 1 . . . . 66 PRO CG . 16970 1 837 . 1 1 67 67 ALA H H 1 8.163 0.020 . 1 . . . . 67 ALA H . 16970 1 838 . 1 1 67 67 ALA HA H 1 4.386 0.020 . 1 . . . . 67 ALA HA . 16970 1 839 . 1 1 67 67 ALA HB1 H 1 1.420 0.020 . 1 . . . . 67 ALA HB . 16970 1 840 . 1 1 67 67 ALA HB2 H 1 1.420 0.020 . 1 . . . . 67 ALA HB . 16970 1 841 . 1 1 67 67 ALA HB3 H 1 1.420 0.020 . 1 . . . . 67 ALA HB . 16970 1 842 . 1 1 67 67 ALA C C 13 179.136 0.400 . 1 . . . . 67 ALA C . 16970 1 843 . 1 1 67 67 ALA CA C 13 52.569 0.400 . 1 . . . . 67 ALA CA . 16970 1 844 . 1 1 67 67 ALA CB C 13 19.094 0.400 . 1 . . . . 67 ALA CB . 16970 1 845 . 1 1 67 67 ALA N N 15 120.147 0.400 . 1 . . . . 67 ALA N . 16970 1 846 . 1 1 68 68 LYS H H 1 7.600 0.020 . 1 . . . . 68 LYS H . 16970 1 847 . 1 1 68 68 LYS HA H 1 3.748 0.020 . 1 . . . . 68 LYS HA . 16970 1 848 . 1 1 68 68 LYS HB2 H 1 1.745 0.020 . 2 . . . . 68 LYS HB2 . 16970 1 849 . 1 1 68 68 LYS HB3 H 1 1.323 0.020 . 2 . . . . 68 LYS HB3 . 16970 1 850 . 1 1 68 68 LYS HD2 H 1 1.535 0.020 . 2 . . . . 68 LYS HD2 . 16970 1 851 . 1 1 68 68 LYS HD3 H 1 1.486 0.020 . 2 . . . . 68 LYS HD3 . 16970 1 852 . 1 1 68 68 LYS HE2 H 1 2.865 0.020 . 2 . . . . 68 LYS HE2 . 16970 1 853 . 1 1 68 68 LYS HE3 H 1 2.865 0.020 . 2 . . . . 68 LYS HE3 . 16970 1 854 . 1 1 68 68 LYS HG2 H 1 0.945 0.020 . 2 . . . . 68 LYS HG2 . 16970 1 855 . 1 1 68 68 LYS HG3 H 1 0.439 0.020 . 2 . . . . 68 LYS HG3 . 16970 1 856 . 1 1 68 68 LYS C C 13 177.560 0.400 . 1 . . . . 68 LYS C . 16970 1 857 . 1 1 68 68 LYS CA C 13 59.654 0.400 . 1 . . . . 68 LYS CA . 16970 1 858 . 1 1 68 68 LYS CB C 13 33.134 0.400 . 1 . . . . 68 LYS CB . 16970 1 859 . 1 1 68 68 LYS CD C 13 29.495 0.400 . 1 . . . . 68 LYS CD . 16970 1 860 . 1 1 68 68 LYS CE C 13 41.860 0.400 . 1 . . . . 68 LYS CE . 16970 1 861 . 1 1 68 68 LYS CG C 13 24.510 0.400 . 1 . . . . 68 LYS CG . 16970 1 862 . 1 1 68 68 LYS N N 15 121.143 0.400 . 1 . . . . 68 LYS N . 16970 1 863 . 1 1 69 69 TYR H H 1 8.396 0.020 . 1 . . . . 69 TYR H . 16970 1 864 . 1 1 69 69 TYR HA H 1 4.872 0.020 . 1 . . . . 69 TYR HA . 16970 1 865 . 1 1 69 69 TYR HB2 H 1 2.851 0.020 . 2 . . . . 69 TYR HB2 . 16970 1 866 . 1 1 69 69 TYR HB3 H 1 3.321 0.020 . 2 . . . . 69 TYR HB3 . 16970 1 867 . 1 1 69 69 TYR HD1 H 1 7.010 0.020 . 1 . . . . 69 TYR HD1 . 16970 1 868 . 1 1 69 69 TYR HD2 H 1 7.010 0.020 . 1 . . . . 69 TYR HD2 . 16970 1 869 . 1 1 69 69 TYR HE1 H 1 6.879 0.020 . 1 . . . . 69 TYR HE1 . 16970 1 870 . 1 1 69 69 TYR HE2 H 1 6.879 0.020 . 1 . . . . 69 TYR HE2 . 16970 1 871 . 1 1 69 69 TYR C C 13 176.733 0.400 . 1 . . . . 69 TYR C . 16970 1 872 . 1 1 69 69 TYR CA C 13 56.636 0.400 . 1 . . . . 69 TYR CA . 16970 1 873 . 1 1 69 69 TYR CB C 13 37.290 0.400 . 1 . . . . 69 TYR CB . 16970 1 874 . 1 1 69 69 TYR CD1 C 13 133.977 0.400 . 1 . . . . 69 TYR CD1 . 16970 1 875 . 1 1 69 69 TYR CD2 C 13 133.977 0.400 . 1 . . . . 69 TYR CD2 . 16970 1 876 . 1 1 69 69 TYR CE1 C 13 119.181 0.400 . 1 . . . . 69 TYR CE1 . 16970 1 877 . 1 1 69 69 TYR CE2 C 13 119.181 0.400 . 1 . . . . 69 TYR CE2 . 16970 1 878 . 1 1 69 69 TYR N N 15 115.078 0.400 . 1 . . . . 69 TYR N . 16970 1 879 . 1 1 70 70 ALA H H 1 7.545 0.020 . 1 . . . . 70 ALA H . 16970 1 880 . 1 1 70 70 ALA HA H 1 4.142 0.020 . 1 . . . . 70 ALA HA . 16970 1 881 . 1 1 70 70 ALA HB1 H 1 1.509 0.020 . 1 . . . . 70 ALA HB . 16970 1 882 . 1 1 70 70 ALA HB2 H 1 1.509 0.020 . 1 . . . . 70 ALA HB . 16970 1 883 . 1 1 70 70 ALA HB3 H 1 1.509 0.020 . 1 . . . . 70 ALA HB . 16970 1 884 . 1 1 70 70 ALA C C 13 178.303 0.400 . 1 . . . . 70 ALA C . 16970 1 885 . 1 1 70 70 ALA CA C 13 54.861 0.400 . 1 . . . . 70 ALA CA . 16970 1 886 . 1 1 70 70 ALA CB C 13 18.818 0.400 . 1 . . . . 70 ALA CB . 16970 1 887 . 1 1 70 70 ALA N N 15 123.249 0.400 . 1 . . . . 70 ALA N . 16970 1 888 . 1 1 71 71 SER H H 1 8.418 0.020 . 1 . . . . 71 SER H . 16970 1 889 . 1 1 71 71 SER HA H 1 4.558 0.020 . 1 . . . . 71 SER HA . 16970 1 890 . 1 1 71 71 SER HB2 H 1 3.978 0.020 . 2 . . . . 71 SER HB2 . 16970 1 891 . 1 1 71 71 SER HB3 H 1 3.925 0.020 . 2 . . . . 71 SER HB3 . 16970 1 892 . 1 1 71 71 SER C C 13 174.271 0.400 . 1 . . . . 71 SER C . 16970 1 893 . 1 1 71 71 SER CA C 13 57.809 0.400 . 1 . . . . 71 SER CA . 16970 1 894 . 1 1 71 71 SER CB C 13 63.299 0.400 . 1 . . . . 71 SER CB . 16970 1 895 . 1 1 71 71 SER N N 15 110.862 0.400 . 1 . . . . 71 SER N . 16970 1 896 . 1 1 72 72 VAL H H 1 7.496 0.020 . 1 . . . . 72 VAL H . 16970 1 897 . 1 1 72 72 VAL HA H 1 3.985 0.020 . 1 . . . . 72 VAL HA . 16970 1 898 . 1 1 72 72 VAL HB H 1 2.286 0.020 . 1 . . . . 72 VAL HB . 16970 1 899 . 1 1 72 72 VAL HG11 H 1 1.133 0.020 . 2 . . . . 72 VAL HG1 . 16970 1 900 . 1 1 72 72 VAL HG12 H 1 1.133 0.020 . 2 . . . . 72 VAL HG1 . 16970 1 901 . 1 1 72 72 VAL HG13 H 1 1.133 0.020 . 2 . . . . 72 VAL HG1 . 16970 1 902 . 1 1 72 72 VAL HG21 H 1 0.810 0.020 . 2 . . . . 72 VAL HG2 . 16970 1 903 . 1 1 72 72 VAL HG22 H 1 0.810 0.020 . 2 . . . . 72 VAL HG2 . 16970 1 904 . 1 1 72 72 VAL HG23 H 1 0.810 0.020 . 2 . . . . 72 VAL HG2 . 16970 1 905 . 1 1 72 72 VAL C C 13 175.154 0.400 . 1 . . . . 72 VAL C . 16970 1 906 . 1 1 72 72 VAL CA C 13 62.889 0.400 . 1 . . . . 72 VAL CA . 16970 1 907 . 1 1 72 72 VAL CB C 13 32.079 0.400 . 1 . . . . 72 VAL CB . 16970 1 908 . 1 1 72 72 VAL CG1 C 13 22.019 0.400 . 1 . . . . 72 VAL CG1 . 16970 1 909 . 1 1 72 72 VAL CG2 C 13 20.692 0.400 . 1 . . . . 72 VAL CG2 . 16970 1 910 . 1 1 72 72 VAL N N 15 122.510 0.400 . 1 . . . . 72 VAL N . 16970 1 911 . 1 1 73 73 ASP H H 1 8.318 0.020 . 1 . . . . 73 ASP H . 16970 1 912 . 1 1 73 73 ASP HA H 1 4.721 0.020 . 1 . . . . 73 ASP HA . 16970 1 913 . 1 1 73 73 ASP HB2 H 1 2.862 0.020 . 2 . . . . 73 ASP HB2 . 16970 1 914 . 1 1 73 73 ASP HB3 H 1 2.636 0.020 . 2 . . . . 73 ASP HB3 . 16970 1 915 . 1 1 73 73 ASP C C 13 176.637 0.400 . 1 . . . . 73 ASP C . 16970 1 916 . 1 1 73 73 ASP CA C 13 53.060 0.400 . 1 . . . . 73 ASP CA . 16970 1 917 . 1 1 73 73 ASP CB C 13 41.269 0.400 . 1 . . . . 73 ASP CB . 16970 1 918 . 1 1 73 73 ASP N N 15 127.670 0.400 . 1 . . . . 73 ASP N . 16970 1 919 . 1 1 74 74 THR H H 1 8.090 0.020 . 1 . . . . 74 THR H . 16970 1 920 . 1 1 74 74 THR HA H 1 3.881 0.020 . 1 . . . . 74 THR HA . 16970 1 921 . 1 1 74 74 THR HB H 1 4.465 0.020 . 1 . . . . 74 THR HB . 16970 1 922 . 1 1 74 74 THR HG21 H 1 1.220 0.020 . 1 . . . . 74 THR HG2 . 16970 1 923 . 1 1 74 74 THR HG22 H 1 1.220 0.020 . 1 . . . . 74 THR HG2 . 16970 1 924 . 1 1 74 74 THR HG23 H 1 1.220 0.020 . 1 . . . . 74 THR HG2 . 16970 1 925 . 1 1 74 74 THR C C 13 173.858 0.400 . 1 . . . . 74 THR C . 16970 1 926 . 1 1 74 74 THR CA C 13 62.168 0.400 . 1 . . . . 74 THR CA . 16970 1 927 . 1 1 74 74 THR CB C 13 67.852 0.400 . 1 . . . . 74 THR CB . 16970 1 928 . 1 1 74 74 THR CG2 C 13 22.230 0.400 . 1 . . . . 74 THR CG2 . 16970 1 929 . 1 1 74 74 THR N N 15 114.361 0.400 . 1 . . . . 74 THR N . 16970 1 930 . 1 1 75 75 TYR H H 1 8.314 0.020 . 1 . . . . 75 TYR H . 16970 1 931 . 1 1 75 75 TYR HA H 1 4.653 0.020 . 1 . . . . 75 TYR HA . 16970 1 932 . 1 1 75 75 TYR HB2 H 1 3.172 0.020 . 2 . . . . 75 TYR HB2 . 16970 1 933 . 1 1 75 75 TYR HB3 H 1 3.051 0.020 . 2 . . . . 75 TYR HB3 . 16970 1 934 . 1 1 75 75 TYR HD1 H 1 7.191 0.020 . 1 . . . . 75 TYR HD1 . 16970 1 935 . 1 1 75 75 TYR HD2 H 1 7.191 0.020 . 1 . . . . 75 TYR HD2 . 16970 1 936 . 1 1 75 75 TYR HE1 H 1 6.876 0.020 . 1 . . . . 75 TYR HE1 . 16970 1 937 . 1 1 75 75 TYR HE2 H 1 6.876 0.020 . 1 . . . . 75 TYR HE2 . 16970 1 938 . 1 1 75 75 TYR C C 13 175.031 0.400 . 1 . . . . 75 TYR C . 16970 1 939 . 1 1 75 75 TYR CA C 13 56.189 0.400 . 1 . . . . 75 TYR CA . 16970 1 940 . 1 1 75 75 TYR CB C 13 39.054 0.400 . 1 . . . . 75 TYR CB . 16970 1 941 . 1 1 75 75 TYR CD1 C 13 133.801 0.400 . 1 . . . . 75 TYR CD1 . 16970 1 942 . 1 1 75 75 TYR CD2 C 13 133.801 0.400 . 1 . . . . 75 TYR CD2 . 16970 1 943 . 1 1 75 75 TYR CE1 C 13 119.173 0.400 . 1 . . . . 75 TYR CE1 . 16970 1 944 . 1 1 75 75 TYR CE2 C 13 119.173 0.400 . 1 . . . . 75 TYR CE2 . 16970 1 945 . 1 1 75 75 TYR N N 15 119.965 0.400 . 1 . . . . 75 TYR N . 16970 1 946 . 1 1 76 76 ASP H H 1 7.620 0.020 . 1 . . . . 76 ASP H . 16970 1 947 . 1 1 76 76 ASP HA H 1 4.601 0.020 . 1 . . . . 76 ASP HA . 16970 1 948 . 1 1 76 76 ASP HB2 H 1 3.169 0.020 . 2 . . . . 76 ASP HB2 . 16970 1 949 . 1 1 76 76 ASP HB3 H 1 2.448 0.020 . 2 . . . . 76 ASP HB3 . 16970 1 950 . 1 1 76 76 ASP C C 13 175.418 0.400 . 1 . . . . 76 ASP C . 16970 1 951 . 1 1 76 76 ASP CA C 13 52.392 0.400 . 1 . . . . 76 ASP CA . 16970 1 952 . 1 1 76 76 ASP CB C 13 41.630 0.400 . 1 . . . . 76 ASP CB . 16970 1 953 . 1 1 76 76 ASP N N 15 121.338 0.400 . 1 . . . . 76 ASP N . 16970 1 954 . 1 1 77 77 ARG H H 1 8.508 0.020 . 1 . . . . 77 ARG H . 16970 1 955 . 1 1 77 77 ARG HA H 1 3.915 0.020 . 1 . . . . 77 ARG HA . 16970 1 956 . 1 1 77 77 ARG HB2 H 1 1.845 0.020 . 2 . . . . 77 ARG HB2 . 16970 1 957 . 1 1 77 77 ARG HB3 H 1 1.665 0.020 . 2 . . . . 77 ARG HB3 . 16970 1 958 . 1 1 77 77 ARG HD2 H 1 3.240 0.020 . 2 . . . . 77 ARG HD2 . 16970 1 959 . 1 1 77 77 ARG HD3 H 1 3.099 0.020 . 2 . . . . 77 ARG HD3 . 16970 1 960 . 1 1 77 77 ARG HE H 1 7.145 0.020 . 1 . . . . 77 ARG HE . 16970 1 961 . 1 1 77 77 ARG HG2 H 1 1.574 0.020 . 2 . . . . 77 ARG HG2 . 16970 1 962 . 1 1 77 77 ARG HG3 H 1 1.381 0.020 . 2 . . . . 77 ARG HG3 . 16970 1 963 . 1 1 77 77 ARG C C 13 177.496 0.400 . 1 . . . . 77 ARG C . 16970 1 964 . 1 1 77 77 ARG CA C 13 59.441 0.400 . 1 . . . . 77 ARG CA . 16970 1 965 . 1 1 77 77 ARG CB C 13 30.500 0.400 . 1 . . . . 77 ARG CB . 16970 1 966 . 1 1 77 77 ARG CD C 13 43.159 0.400 . 1 . . . . 77 ARG CD . 16970 1 967 . 1 1 77 77 ARG CG C 13 27.531 0.400 . 1 . . . . 77 ARG CG . 16970 1 968 . 1 1 77 77 ARG N N 15 126.897 0.400 . 1 . . . . 77 ARG N . 16970 1 969 . 1 1 77 77 ARG NE N 15 84.703 0.400 . 1 . . . . 77 ARG NE . 16970 1 970 . 1 1 78 78 GLU H H 1 8.040 0.020 . 1 . . . . 78 GLU H . 16970 1 971 . 1 1 78 78 GLU HA H 1 3.884 0.020 . 1 . . . . 78 GLU HA . 16970 1 972 . 1 1 78 78 GLU HB2 H 1 2.034 0.020 . 2 . . . . 78 GLU HB2 . 16970 1 973 . 1 1 78 78 GLU HB3 H 1 2.086 0.020 . 2 . . . . 78 GLU HB3 . 16970 1 974 . 1 1 78 78 GLU HG2 H 1 2.313 0.020 . 2 . . . . 78 GLU HG2 . 16970 1 975 . 1 1 78 78 GLU HG3 H 1 2.196 0.020 . 2 . . . . 78 GLU HG3 . 16970 1 976 . 1 1 78 78 GLU C C 13 179.632 0.400 . 1 . . . . 78 GLU C . 16970 1 977 . 1 1 78 78 GLU CA C 13 59.598 0.400 . 1 . . . . 78 GLU CA . 16970 1 978 . 1 1 78 78 GLU CB C 13 29.130 0.400 . 1 . . . . 78 GLU CB . 16970 1 979 . 1 1 78 78 GLU CG C 13 36.790 0.400 . 1 . . . . 78 GLU CG . 16970 1 980 . 1 1 78 78 GLU N N 15 115.757 0.400 . 1 . . . . 78 GLU N . 16970 1 981 . 1 1 79 79 GLN H H 1 7.615 0.020 . 1 . . . . 79 GLN H . 16970 1 982 . 1 1 79 79 GLN HA H 1 4.078 0.020 . 1 . . . . 79 GLN HA . 16970 1 983 . 1 1 79 79 GLN HB2 H 1 2.270 0.020 . 2 . . . . 79 GLN HB2 . 16970 1 984 . 1 1 79 79 GLN HB3 H 1 2.170 0.020 . 2 . . . . 79 GLN HB3 . 16970 1 985 . 1 1 79 79 GLN HE21 H 1 7.921 0.020 . 2 . . . . 79 GLN HE21 . 16970 1 986 . 1 1 79 79 GLN HE22 H 1 7.155 0.020 . 2 . . . . 79 GLN HE22 . 16970 1 987 . 1 1 79 79 GLN HG2 H 1 2.333 0.020 . 2 . . . . 79 GLN HG2 . 16970 1 988 . 1 1 79 79 GLN HG3 H 1 2.529 0.020 . 2 . . . . 79 GLN HG3 . 16970 1 989 . 1 1 79 79 GLN C C 13 178.998 0.400 . 1 . . . . 79 GLN C . 16970 1 990 . 1 1 79 79 GLN CA C 13 58.616 0.400 . 1 . . . . 79 GLN CA . 16970 1 991 . 1 1 79 79 GLN CB C 13 28.791 0.400 . 1 . . . . 79 GLN CB . 16970 1 992 . 1 1 79 79 GLN CG C 13 34.358 0.400 . 1 . . . . 79 GLN CG . 16970 1 993 . 1 1 79 79 GLN N N 15 117.784 0.400 . 1 . . . . 79 GLN N . 16970 1 994 . 1 1 79 79 GLN NE2 N 15 114.097 0.400 . 1 . . . . 79 GLN NE2 . 16970 1 995 . 1 1 80 80 VAL H H 1 8.079 0.020 . 1 . . . . 80 VAL H . 16970 1 996 . 1 1 80 80 VAL HA H 1 3.517 0.020 . 1 . . . . 80 VAL HA . 16970 1 997 . 1 1 80 80 VAL HB H 1 2.076 0.020 . 1 . . . . 80 VAL HB . 16970 1 998 . 1 1 80 80 VAL HG11 H 1 0.943 0.020 . 2 . . . . 80 VAL HG1 . 16970 1 999 . 1 1 80 80 VAL HG12 H 1 0.943 0.020 . 2 . . . . 80 VAL HG1 . 16970 1 1000 . 1 1 80 80 VAL HG13 H 1 0.943 0.020 . 2 . . . . 80 VAL HG1 . 16970 1 1001 . 1 1 80 80 VAL HG21 H 1 0.921 0.020 . 2 . . . . 80 VAL HG2 . 16970 1 1002 . 1 1 80 80 VAL HG22 H 1 0.921 0.020 . 2 . . . . 80 VAL HG2 . 16970 1 1003 . 1 1 80 80 VAL HG23 H 1 0.921 0.020 . 2 . . . . 80 VAL HG2 . 16970 1 1004 . 1 1 80 80 VAL C C 13 177.744 0.400 . 1 . . . . 80 VAL C . 16970 1 1005 . 1 1 80 80 VAL CA C 13 66.328 0.400 . 1 . . . . 80 VAL CA . 16970 1 1006 . 1 1 80 80 VAL CB C 13 31.750 0.400 . 1 . . . . 80 VAL CB . 16970 1 1007 . 1 1 80 80 VAL CG1 C 13 22.101 0.400 . 1 . . . . 80 VAL CG1 . 16970 1 1008 . 1 1 80 80 VAL CG2 C 13 23.270 0.400 . 1 . . . . 80 VAL CG2 . 16970 1 1009 . 1 1 80 80 VAL N N 15 119.358 0.400 . 1 . . . . 80 VAL N . 16970 1 1010 . 1 1 81 81 MET H H 1 8.432 0.020 . 1 . . . . 81 MET H . 16970 1 1011 . 1 1 81 81 MET HA H 1 3.719 0.020 . 1 . . . . 81 MET HA . 16970 1 1012 . 1 1 81 81 MET HB2 H 1 1.681 0.020 . 2 . . . . 81 MET HB2 . 16970 1 1013 . 1 1 81 81 MET HB3 H 1 1.681 0.020 . 2 . . . . 81 MET HB3 . 16970 1 1014 . 1 1 81 81 MET HE1 H 1 1.700 0.020 . 1 . . . . 81 MET HE . 16970 1 1015 . 1 1 81 81 MET HE2 H 1 1.700 0.020 . 1 . . . . 81 MET HE . 16970 1 1016 . 1 1 81 81 MET HE3 H 1 1.700 0.020 . 1 . . . . 81 MET HE . 16970 1 1017 . 1 1 81 81 MET HG2 H 1 2.038 0.020 . 2 . . . . 81 MET HG2 . 16970 1 1018 . 1 1 81 81 MET HG3 H 1 1.157 0.020 . 2 . . . . 81 MET HG3 . 16970 1 1019 . 1 1 81 81 MET C C 13 177.196 0.400 . 1 . . . . 81 MET C . 16970 1 1020 . 1 1 81 81 MET CA C 13 59.651 0.400 . 1 . . . . 81 MET CA . 16970 1 1021 . 1 1 81 81 MET CB C 13 32.890 0.400 . 1 . . . . 81 MET CB . 16970 1 1022 . 1 1 81 81 MET CE C 13 16.089 0.400 . 1 . . . . 81 MET CE . 16970 1 1023 . 1 1 81 81 MET CG C 13 30.220 0.400 . 1 . . . . 81 MET CG . 16970 1 1024 . 1 1 81 81 MET N N 15 119.531 0.400 . 1 . . . . 81 MET N . 16970 1 1025 . 1 1 82 82 LYS H H 1 7.018 0.020 . 1 . . . . 82 LYS H . 16970 1 1026 . 1 1 82 82 LYS HA H 1 4.082 0.020 . 1 . . . . 82 LYS HA . 16970 1 1027 . 1 1 82 82 LYS HB2 H 1 1.948 0.020 . 2 . . . . 82 LYS HB2 . 16970 1 1028 . 1 1 82 82 LYS HB3 H 1 1.948 0.020 . 2 . . . . 82 LYS HB3 . 16970 1 1029 . 1 1 82 82 LYS HD2 H 1 1.737 0.020 . 2 . . . . 82 LYS HD2 . 16970 1 1030 . 1 1 82 82 LYS HD3 H 1 1.737 0.020 . 2 . . . . 82 LYS HD3 . 16970 1 1031 . 1 1 82 82 LYS HE2 H 1 3.003 0.020 . 2 . . . . 82 LYS HE2 . 16970 1 1032 . 1 1 82 82 LYS HE3 H 1 3.003 0.020 . 2 . . . . 82 LYS HE3 . 16970 1 1033 . 1 1 82 82 LYS HG2 H 1 1.637 0.020 . 2 . . . . 82 LYS HG2 . 16970 1 1034 . 1 1 82 82 LYS HG3 H 1 1.468 0.020 . 2 . . . . 82 LYS HG3 . 16970 1 1035 . 1 1 82 82 LYS C C 13 179.374 0.400 . 1 . . . . 82 LYS C . 16970 1 1036 . 1 1 82 82 LYS CA C 13 59.337 0.400 . 1 . . . . 82 LYS CA . 16970 1 1037 . 1 1 82 82 LYS CB C 13 32.420 0.400 . 1 . . . . 82 LYS CB . 16970 1 1038 . 1 1 82 82 LYS CD C 13 29.250 0.400 . 1 . . . . 82 LYS CD . 16970 1 1039 . 1 1 82 82 LYS CE C 13 41.991 0.400 . 1 . . . . 82 LYS CE . 16970 1 1040 . 1 1 82 82 LYS CG C 13 25.088 0.400 . 1 . . . . 82 LYS CG . 16970 1 1041 . 1 1 82 82 LYS N N 15 115.701 0.400 . 1 . . . . 82 LYS N . 16970 1 1042 . 1 1 83 83 ILE H H 1 7.403 0.020 . 1 . . . . 83 ILE H . 16970 1 1043 . 1 1 83 83 ILE HA H 1 3.984 0.020 . 1 . . . . 83 ILE HA . 16970 1 1044 . 1 1 83 83 ILE HB H 1 1.893 0.020 . 1 . . . . 83 ILE HB . 16970 1 1045 . 1 1 83 83 ILE HD11 H 1 0.693 0.020 . 1 . . . . 83 ILE HD1 . 16970 1 1046 . 1 1 83 83 ILE HD12 H 1 0.693 0.020 . 1 . . . . 83 ILE HD1 . 16970 1 1047 . 1 1 83 83 ILE HD13 H 1 0.693 0.020 . 1 . . . . 83 ILE HD1 . 16970 1 1048 . 1 1 83 83 ILE HG12 H 1 1.627 0.020 . 2 . . . . 83 ILE HG12 . 16970 1 1049 . 1 1 83 83 ILE HG13 H 1 1.144 0.020 . 2 . . . . 83 ILE HG13 . 16970 1 1050 . 1 1 83 83 ILE HG21 H 1 0.777 0.020 . 1 . . . . 83 ILE HG2 . 16970 1 1051 . 1 1 83 83 ILE HG22 H 1 0.777 0.020 . 1 . . . . 83 ILE HG2 . 16970 1 1052 . 1 1 83 83 ILE HG23 H 1 0.777 0.020 . 1 . . . . 83 ILE HG2 . 16970 1 1053 . 1 1 83 83 ILE C C 13 177.360 0.400 . 1 . . . . 83 ILE C . 16970 1 1054 . 1 1 83 83 ILE CA C 13 63.919 0.400 . 1 . . . . 83 ILE CA . 16970 1 1055 . 1 1 83 83 ILE CB C 13 38.260 0.400 . 1 . . . . 83 ILE CB . 16970 1 1056 . 1 1 83 83 ILE CD1 C 13 13.441 0.400 . 1 . . . . 83 ILE CD1 . 16970 1 1057 . 1 1 83 83 ILE CG1 C 13 28.760 0.400 . 1 . . . . 83 ILE CG1 . 16970 1 1058 . 1 1 83 83 ILE CG2 C 13 17.628 0.400 . 1 . . . . 83 ILE CG2 . 16970 1 1059 . 1 1 83 83 ILE N N 15 119.472 0.400 . 1 . . . . 83 ILE N . 16970 1 1060 . 1 1 84 84 ILE H H 1 8.355 0.020 . 1 . . . . 84 ILE H . 16970 1 1061 . 1 1 84 84 ILE HA H 1 3.543 0.020 . 1 . . . . 84 ILE HA . 16970 1 1062 . 1 1 84 84 ILE HB H 1 1.969 0.020 . 1 . . . . 84 ILE HB . 16970 1 1063 . 1 1 84 84 ILE HD11 H 1 0.606 0.020 . 1 . . . . 84 ILE HD1 . 16970 1 1064 . 1 1 84 84 ILE HD12 H 1 0.606 0.020 . 1 . . . . 84 ILE HD1 . 16970 1 1065 . 1 1 84 84 ILE HD13 H 1 0.606 0.020 . 1 . . . . 84 ILE HD1 . 16970 1 1066 . 1 1 84 84 ILE HG12 H 1 1.629 0.020 . 2 . . . . 84 ILE HG12 . 16970 1 1067 . 1 1 84 84 ILE HG13 H 1 1.058 0.020 . 2 . . . . 84 ILE HG13 . 16970 1 1068 . 1 1 84 84 ILE HG21 H 1 0.549 0.020 . 1 . . . . 84 ILE HG2 . 16970 1 1069 . 1 1 84 84 ILE HG22 H 1 0.549 0.020 . 1 . . . . 84 ILE HG2 . 16970 1 1070 . 1 1 84 84 ILE HG23 H 1 0.549 0.020 . 1 . . . . 84 ILE HG2 . 16970 1 1071 . 1 1 84 84 ILE C C 13 178.264 0.400 . 1 . . . . 84 ILE C . 16970 1 1072 . 1 1 84 84 ILE CA C 13 65.563 0.400 . 1 . . . . 84 ILE CA . 16970 1 1073 . 1 1 84 84 ILE CB C 13 36.980 0.400 . 1 . . . . 84 ILE CB . 16970 1 1074 . 1 1 84 84 ILE CD1 C 13 13.751 0.400 . 1 . . . . 84 ILE CD1 . 16970 1 1075 . 1 1 84 84 ILE CG1 C 13 30.690 0.400 . 1 . . . . 84 ILE CG1 . 16970 1 1076 . 1 1 84 84 ILE CG2 C 13 17.760 0.400 . 1 . . . . 84 ILE CG2 . 16970 1 1077 . 1 1 84 84 ILE N N 15 120.952 0.400 . 1 . . . . 84 ILE N . 16970 1 1078 . 1 1 85 85 ASP H H 1 8.346 0.020 . 1 . . . . 85 ASP H . 16970 1 1079 . 1 1 85 85 ASP HA H 1 4.669 0.020 . 1 . . . . 85 ASP HA . 16970 1 1080 . 1 1 85 85 ASP HB2 H 1 2.845 0.020 . 2 . . . . 85 ASP HB2 . 16970 1 1081 . 1 1 85 85 ASP HB3 H 1 2.695 0.020 . 2 . . . . 85 ASP HB3 . 16970 1 1082 . 1 1 85 85 ASP C C 13 179.832 0.400 . 1 . . . . 85 ASP C . 16970 1 1083 . 1 1 85 85 ASP CA C 13 57.129 0.400 . 1 . . . . 85 ASP CA . 16970 1 1084 . 1 1 85 85 ASP CB C 13 40.054 0.400 . 1 . . . . 85 ASP CB . 16970 1 1085 . 1 1 85 85 ASP N N 15 118.522 0.400 . 1 . . . . 85 ASP N . 16970 1 1086 . 1 1 86 86 GLU H H 1 8.302 0.020 . 1 . . . . 86 GLU H . 16970 1 1087 . 1 1 86 86 GLU HA H 1 4.007 0.020 . 1 . . . . 86 GLU HA . 16970 1 1088 . 1 1 86 86 GLU HB2 H 1 2.264 0.020 . 2 . . . . 86 GLU HB2 . 16970 1 1089 . 1 1 86 86 GLU HB3 H 1 2.081 0.020 . 2 . . . . 86 GLU HB3 . 16970 1 1090 . 1 1 86 86 GLU HG2 H 1 2.175 0.020 . 2 . . . . 86 GLU HG2 . 16970 1 1091 . 1 1 86 86 GLU HG3 H 1 1.956 0.020 . 2 . . . . 86 GLU HG3 . 16970 1 1092 . 1 1 86 86 GLU C C 13 178.516 0.400 . 1 . . . . 86 GLU C . 16970 1 1093 . 1 1 86 86 GLU CA C 13 59.459 0.400 . 1 . . . . 86 GLU CA . 16970 1 1094 . 1 1 86 86 GLU CB C 13 29.386 0.400 . 1 . . . . 86 GLU CB . 16970 1 1095 . 1 1 86 86 GLU CG C 13 35.935 0.400 . 1 . . . . 86 GLU CG . 16970 1 1096 . 1 1 86 86 GLU N N 15 122.956 0.400 . 1 . . . . 86 GLU N . 16970 1 1097 . 1 1 87 87 PHE H H 1 8.038 0.020 . 1 . . . . 87 PHE H . 16970 1 1098 . 1 1 87 87 PHE HA H 1 4.326 0.020 . 1 . . . . 87 PHE HA . 16970 1 1099 . 1 1 87 87 PHE HB2 H 1 3.307 0.020 . 2 . . . . 87 PHE HB2 . 16970 1 1100 . 1 1 87 87 PHE HB3 H 1 2.823 0.020 . 2 . . . . 87 PHE HB3 . 16970 1 1101 . 1 1 87 87 PHE HD1 H 1 7.467 0.020 . 1 . . . . 87 PHE HD1 . 16970 1 1102 . 1 1 87 87 PHE HD2 H 1 7.467 0.020 . 1 . . . . 87 PHE HD2 . 16970 1 1103 . 1 1 87 87 PHE HE1 H 1 7.278 0.020 . 1 . . . . 87 PHE HE1 . 16970 1 1104 . 1 1 87 87 PHE HE2 H 1 7.278 0.020 . 1 . . . . 87 PHE HE2 . 16970 1 1105 . 1 1 87 87 PHE C C 13 174.161 0.400 . 1 . . . . 87 PHE C . 16970 1 1106 . 1 1 87 87 PHE CA C 13 59.337 0.400 . 1 . . . . 87 PHE CA . 16970 1 1107 . 1 1 87 87 PHE CB C 13 39.137 0.400 . 1 . . . . 87 PHE CB . 16970 1 1108 . 1 1 87 87 PHE CD1 C 13 133.100 0.400 . 1 . . . . 87 PHE CD1 . 16970 1 1109 . 1 1 87 87 PHE CD2 C 13 133.100 0.400 . 1 . . . . 87 PHE CD2 . 16970 1 1110 . 1 1 87 87 PHE CE1 C 13 132.489 0.400 . 1 . . . . 87 PHE CE1 . 16970 1 1111 . 1 1 87 87 PHE CE2 C 13 132.489 0.400 . 1 . . . . 87 PHE CE2 . 16970 1 1112 . 1 1 87 87 PHE N N 15 115.423 0.400 . 1 . . . . 87 PHE N . 16970 1 1113 . 1 1 88 88 LYS H H 1 7.944 0.020 . 1 . . . . 88 LYS H . 16970 1 1114 . 1 1 88 88 LYS HA H 1 4.050 0.020 . 1 . . . . 88 LYS HA . 16970 1 1115 . 1 1 88 88 LYS HB2 H 1 2.096 0.020 . 2 . . . . 88 LYS HB2 . 16970 1 1116 . 1 1 88 88 LYS HB3 H 1 1.903 0.020 . 2 . . . . 88 LYS HB3 . 16970 1 1117 . 1 1 88 88 LYS HD2 H 1 1.822 0.020 . 2 . . . . 88 LYS HD2 . 16970 1 1118 . 1 1 88 88 LYS HD3 H 1 1.680 0.020 . 2 . . . . 88 LYS HD3 . 16970 1 1119 . 1 1 88 88 LYS HE2 H 1 3.041 0.020 . 2 . . . . 88 LYS HE2 . 16970 1 1120 . 1 1 88 88 LYS HE3 H 1 3.041 0.020 . 2 . . . . 88 LYS HE3 . 16970 1 1121 . 1 1 88 88 LYS HG2 H 1 1.426 0.020 . 2 . . . . 88 LYS HG2 . 16970 1 1122 . 1 1 88 88 LYS HG3 H 1 1.426 0.020 . 2 . . . . 88 LYS HG3 . 16970 1 1123 . 1 1 88 88 LYS C C 13 176.291 0.400 . 1 . . . . 88 LYS C . 16970 1 1124 . 1 1 88 88 LYS CA C 13 56.275 0.400 . 1 . . . . 88 LYS CA . 16970 1 1125 . 1 1 88 88 LYS CB C 13 28.887 0.400 . 1 . . . . 88 LYS CB . 16970 1 1126 . 1 1 88 88 LYS CD C 13 28.900 0.400 . 1 . . . . 88 LYS CD . 16970 1 1127 . 1 1 88 88 LYS CE C 13 42.164 0.400 . 1 . . . . 88 LYS CE . 16970 1 1128 . 1 1 88 88 LYS CG C 13 24.726 0.400 . 1 . . . . 88 LYS CG . 16970 1 1129 . 1 1 88 88 LYS N N 15 116.516 0.400 . 1 . . . . 88 LYS N . 16970 1 1130 . 1 1 89 89 ILE H H 1 7.540 0.020 . 1 . . . . 89 ILE H . 16970 1 1131 . 1 1 89 89 ILE HA H 1 4.303 0.020 . 1 . . . . 89 ILE HA . 16970 1 1132 . 1 1 89 89 ILE HB H 1 2.046 0.020 . 1 . . . . 89 ILE HB . 16970 1 1133 . 1 1 89 89 ILE HD11 H 1 0.724 0.020 . 1 . . . . 89 ILE HD1 . 16970 1 1134 . 1 1 89 89 ILE HD12 H 1 0.724 0.020 . 1 . . . . 89 ILE HD1 . 16970 1 1135 . 1 1 89 89 ILE HD13 H 1 0.724 0.020 . 1 . . . . 89 ILE HD1 . 16970 1 1136 . 1 1 89 89 ILE HG12 H 1 1.456 0.020 . 2 . . . . 89 ILE HG12 . 16970 1 1137 . 1 1 89 89 ILE HG13 H 1 1.351 0.020 . 2 . . . . 89 ILE HG13 . 16970 1 1138 . 1 1 89 89 ILE HG21 H 1 0.912 0.020 . 1 . . . . 89 ILE HG2 . 16970 1 1139 . 1 1 89 89 ILE HG22 H 1 0.912 0.020 . 1 . . . . 89 ILE HG2 . 16970 1 1140 . 1 1 89 89 ILE HG23 H 1 0.912 0.020 . 1 . . . . 89 ILE HG2 . 16970 1 1141 . 1 1 89 89 ILE C C 13 174.447 0.400 . 1 . . . . 89 ILE C . 16970 1 1142 . 1 1 89 89 ILE CA C 13 57.909 0.400 . 1 . . . . 89 ILE CA . 16970 1 1143 . 1 1 89 89 ILE CB C 13 37.051 0.400 . 1 . . . . 89 ILE CB . 16970 1 1144 . 1 1 89 89 ILE CD1 C 13 10.921 0.400 . 1 . . . . 89 ILE CD1 . 16970 1 1145 . 1 1 89 89 ILE CG1 C 13 27.020 0.400 . 1 . . . . 89 ILE CG1 . 16970 1 1146 . 1 1 89 89 ILE CG2 C 13 16.103 0.400 . 1 . . . . 89 ILE CG2 . 16970 1 1147 . 1 1 89 89 ILE N N 15 120.277 0.400 . 1 . . . . 89 ILE N . 16970 1 1148 . 1 1 90 90 PRO HA H 1 4.795 0.020 . 1 . . . . 90 PRO HA . 16970 1 1149 . 1 1 90 90 PRO HB2 H 1 2.404 0.020 . 2 . . . . 90 PRO HB2 . 16970 1 1150 . 1 1 90 90 PRO HB3 H 1 2.404 0.020 . 2 . . . . 90 PRO HB3 . 16970 1 1151 . 1 1 90 90 PRO HD2 H 1 3.925 0.020 . 2 . . . . 90 PRO HD2 . 16970 1 1152 . 1 1 90 90 PRO HD3 H 1 4.056 0.020 . 2 . . . . 90 PRO HD3 . 16970 1 1153 . 1 1 90 90 PRO HG2 H 1 2.372 0.020 . 2 . . . . 90 PRO HG2 . 16970 1 1154 . 1 1 90 90 PRO HG3 H 1 2.274 0.020 . 2 . . . . 90 PRO HG3 . 16970 1 1155 . 1 1 90 90 PRO C C 13 177.198 0.400 . 1 . . . . 90 PRO C . 16970 1 1156 . 1 1 90 90 PRO CA C 13 62.689 0.400 . 1 . . . . 90 PRO CA . 16970 1 1157 . 1 1 90 90 PRO CB C 13 32.770 0.400 . 1 . . . . 90 PRO CB . 16970 1 1158 . 1 1 90 90 PRO CD C 13 51.349 0.400 . 1 . . . . 90 PRO CD . 16970 1 1159 . 1 1 90 90 PRO CG C 13 27.540 0.400 . 1 . . . . 90 PRO CG . 16970 1 1160 . 1 1 91 91 THR H H 1 8.157 0.020 . 1 . . . . 91 THR H . 16970 1 1161 . 1 1 91 91 THR HA H 1 4.594 0.020 . 1 . . . . 91 THR HA . 16970 1 1162 . 1 1 91 91 THR HB H 1 4.640 0.020 . 1 . . . . 91 THR HB . 16970 1 1163 . 1 1 91 91 THR HG21 H 1 1.184 0.020 . 1 . . . . 91 THR HG2 . 16970 1 1164 . 1 1 91 91 THR HG22 H 1 1.184 0.020 . 1 . . . . 91 THR HG2 . 16970 1 1165 . 1 1 91 91 THR HG23 H 1 1.184 0.020 . 1 . . . . 91 THR HG2 . 16970 1 1166 . 1 1 91 91 THR C C 13 177.072 0.400 . 1 . . . . 91 THR C . 16970 1 1167 . 1 1 91 91 THR CA C 13 60.833 0.400 . 1 . . . . 91 THR CA . 16970 1 1168 . 1 1 91 91 THR CB C 13 70.841 0.400 . 1 . . . . 91 THR CB . 16970 1 1169 . 1 1 91 91 THR CG2 C 13 22.292 0.400 . 1 . . . . 91 THR CG2 . 16970 1 1170 . 1 1 91 91 THR N N 15 108.810 0.400 . 1 . . . . 91 THR N . 16970 1 1171 . 1 1 92 92 VAL H H 1 7.802 0.020 . 1 . . . . 92 VAL H . 16970 1 1172 . 1 1 92 92 VAL HA H 1 3.563 0.020 . 1 . . . . 92 VAL HA . 16970 1 1173 . 1 1 92 92 VAL HB H 1 2.216 0.020 . 1 . . . . 92 VAL HB . 16970 1 1174 . 1 1 92 92 VAL HG11 H 1 1.088 0.020 . 2 . . . . 92 VAL HG1 . 16970 1 1175 . 1 1 92 92 VAL HG12 H 1 1.088 0.020 . 2 . . . . 92 VAL HG1 . 16970 1 1176 . 1 1 92 92 VAL HG13 H 1 1.088 0.020 . 2 . . . . 92 VAL HG1 . 16970 1 1177 . 1 1 92 92 VAL HG21 H 1 1.131 0.020 . 2 . . . . 92 VAL HG2 . 16970 1 1178 . 1 1 92 92 VAL HG22 H 1 1.131 0.020 . 2 . . . . 92 VAL HG2 . 16970 1 1179 . 1 1 92 92 VAL HG23 H 1 1.131 0.020 . 2 . . . . 92 VAL HG2 . 16970 1 1180 . 1 1 92 92 VAL C C 13 177.352 0.400 . 1 . . . . 92 VAL C . 16970 1 1181 . 1 1 92 92 VAL CA C 13 68.048 0.400 . 1 . . . . 92 VAL CA . 16970 1 1182 . 1 1 92 92 VAL CB C 13 31.995 0.400 . 1 . . . . 92 VAL CB . 16970 1 1183 . 1 1 92 92 VAL CG1 C 13 23.220 0.400 . 1 . . . . 92 VAL CG1 . 16970 1 1184 . 1 1 92 92 VAL CG2 C 13 22.123 0.400 . 1 . . . . 92 VAL CG2 . 16970 1 1185 . 1 1 92 92 VAL N N 15 119.876 0.400 . 1 . . . . 92 VAL N . 16970 1 1186 . 1 1 93 93 GLU H H 1 8.950 0.020 . 1 . . . . 93 GLU H . 16970 1 1187 . 1 1 93 93 GLU HA H 1 4.019 0.020 . 1 . . . . 93 GLU HA . 16970 1 1188 . 1 1 93 93 GLU HB2 H 1 2.054 0.020 . 2 . . . . 93 GLU HB2 . 16970 1 1189 . 1 1 93 93 GLU HB3 H 1 2.054 0.020 . 2 . . . . 93 GLU HB3 . 16970 1 1190 . 1 1 93 93 GLU HG2 H 1 2.417 0.020 . 2 . . . . 93 GLU HG2 . 16970 1 1191 . 1 1 93 93 GLU HG3 H 1 2.343 0.020 . 2 . . . . 93 GLU HG3 . 16970 1 1192 . 1 1 93 93 GLU C C 13 179.238 0.400 . 1 . . . . 93 GLU C . 16970 1 1193 . 1 1 93 93 GLU CA C 13 60.562 0.400 . 1 . . . . 93 GLU CA . 16970 1 1194 . 1 1 93 93 GLU CB C 13 29.360 0.400 . 1 . . . . 93 GLU CB . 16970 1 1195 . 1 1 93 93 GLU CG C 13 36.765 0.400 . 1 . . . . 93 GLU CG . 16970 1 1196 . 1 1 93 93 GLU N N 15 118.223 0.400 . 1 . . . . 93 GLU N . 16970 1 1197 . 1 1 94 94 GLN H H 1 7.647 0.020 . 1 . . . . 94 GLN H . 16970 1 1198 . 1 1 94 94 GLN HA H 1 4.188 0.020 . 1 . . . . 94 GLN HA . 16970 1 1199 . 1 1 94 94 GLN HB2 H 1 2.481 0.020 . 2 . . . . 94 GLN HB2 . 16970 1 1200 . 1 1 94 94 GLN HB3 H 1 2.099 0.020 . 2 . . . . 94 GLN HB3 . 16970 1 1201 . 1 1 94 94 GLN HE21 H 1 7.604 0.020 . 2 . . . . 94 GLN HE21 . 16970 1 1202 . 1 1 94 94 GLN HE22 H 1 6.905 0.020 . 2 . . . . 94 GLN HE22 . 16970 1 1203 . 1 1 94 94 GLN HG2 H 1 2.514 0.020 . 2 . . . . 94 GLN HG2 . 16970 1 1204 . 1 1 94 94 GLN HG3 H 1 2.514 0.020 . 2 . . . . 94 GLN HG3 . 16970 1 1205 . 1 1 94 94 GLN C C 13 178.769 0.400 . 1 . . . . 94 GLN C . 16970 1 1206 . 1 1 94 94 GLN CA C 13 58.544 0.400 . 1 . . . . 94 GLN CA . 16970 1 1207 . 1 1 94 94 GLN CB C 13 28.854 0.400 . 1 . . . . 94 GLN CB . 16970 1 1208 . 1 1 94 94 GLN CG C 13 34.151 0.400 . 1 . . . . 94 GLN CG . 16970 1 1209 . 1 1 94 94 GLN N N 15 119.016 0.400 . 1 . . . . 94 GLN N . 16970 1 1210 . 1 1 94 94 GLN NE2 N 15 111.184 0.400 . 1 . . . . 94 GLN NE2 . 16970 1 1211 . 1 1 95 95 TRP H H 1 9.051 0.020 . 1 . . . . 95 TRP H . 16970 1 1212 . 1 1 95 95 TRP HA H 1 4.305 0.020 . 1 . . . . 95 TRP HA . 16970 1 1213 . 1 1 95 95 TRP HB2 H 1 3.466 0.020 . 2 . . . . 95 TRP HB2 . 16970 1 1214 . 1 1 95 95 TRP HB3 H 1 3.146 0.020 . 2 . . . . 95 TRP HB3 . 16970 1 1215 . 1 1 95 95 TRP HD1 H 1 7.246 0.020 . 1 . . . . 95 TRP HD1 . 16970 1 1216 . 1 1 95 95 TRP HE1 H 1 10.271 0.020 . 1 . . . . 95 TRP HE1 . 16970 1 1217 . 1 1 95 95 TRP HE3 H 1 7.409 0.020 . 1 . . . . 95 TRP HE3 . 16970 1 1218 . 1 1 95 95 TRP HH2 H 1 6.037 0.020 . 1 . . . . 95 TRP HH2 . 16970 1 1219 . 1 1 95 95 TRP HZ2 H 1 7.107 0.020 . 1 . . . . 95 TRP HZ2 . 16970 1 1220 . 1 1 95 95 TRP HZ3 H 1 6.155 0.020 . 1 . . . . 95 TRP HZ3 . 16970 1 1221 . 1 1 95 95 TRP C C 13 178.810 0.400 . 1 . . . . 95 TRP C . 16970 1 1222 . 1 1 95 95 TRP CA C 13 60.859 0.400 . 1 . . . . 95 TRP CA . 16970 1 1223 . 1 1 95 95 TRP CB C 13 28.928 0.400 . 1 . . . . 95 TRP CB . 16970 1 1224 . 1 1 95 95 TRP CD1 C 13 128.100 0.400 . 1 . . . . 95 TRP CD1 . 16970 1 1225 . 1 1 95 95 TRP CE3 C 13 120.888 0.400 . 1 . . . . 95 TRP CE3 . 16970 1 1226 . 1 1 95 95 TRP CH2 C 13 124.273 0.400 . 1 . . . . 95 TRP CH2 . 16970 1 1227 . 1 1 95 95 TRP CZ2 C 13 114.800 0.400 . 1 . . . . 95 TRP CZ2 . 16970 1 1228 . 1 1 95 95 TRP CZ3 C 13 122.200 0.400 . 1 . . . . 95 TRP CZ3 . 16970 1 1229 . 1 1 95 95 TRP N N 15 122.689 0.400 . 1 . . . . 95 TRP N . 16970 1 1230 . 1 1 95 95 TRP NE1 N 15 130.765 0.400 . 1 . . . . 95 TRP NE1 . 16970 1 1231 . 1 1 96 96 LYS H H 1 8.988 0.020 . 1 . . . . 96 LYS H . 16970 1 1232 . 1 1 96 96 LYS HA H 1 3.295 0.020 . 1 . . . . 96 LYS HA . 16970 1 1233 . 1 1 96 96 LYS HB2 H 1 1.867 0.020 . 2 . . . . 96 LYS HB2 . 16970 1 1234 . 1 1 96 96 LYS HB3 H 1 1.759 0.020 . 2 . . . . 96 LYS HB3 . 16970 1 1235 . 1 1 96 96 LYS HD2 H 1 1.894 0.020 . 2 . . . . 96 LYS HD2 . 16970 1 1236 . 1 1 96 96 LYS HD3 H 1 1.738 0.020 . 2 . . . . 96 LYS HD3 . 16970 1 1237 . 1 1 96 96 LYS HE2 H 1 3.000 0.020 . 2 . . . . 96 LYS HE2 . 16970 1 1238 . 1 1 96 96 LYS HE3 H 1 3.000 0.020 . 2 . . . . 96 LYS HE3 . 16970 1 1239 . 1 1 96 96 LYS HG2 H 1 2.004 0.020 . 2 . . . . 96 LYS HG2 . 16970 1 1240 . 1 1 96 96 LYS HG3 H 1 1.281 0.020 . 2 . . . . 96 LYS HG3 . 16970 1 1241 . 1 1 96 96 LYS C C 13 178.755 0.400 . 1 . . . . 96 LYS C . 16970 1 1242 . 1 1 96 96 LYS CA C 13 59.839 0.400 . 1 . . . . 96 LYS CA . 16970 1 1243 . 1 1 96 96 LYS CB C 13 32.230 0.400 . 1 . . . . 96 LYS CB . 16970 1 1244 . 1 1 96 96 LYS CD C 13 29.845 0.400 . 1 . . . . 96 LYS CD . 16970 1 1245 . 1 1 96 96 LYS CE C 13 41.864 0.400 . 1 . . . . 96 LYS CE . 16970 1 1246 . 1 1 96 96 LYS CG C 13 26.260 0.400 . 1 . . . . 96 LYS CG . 16970 1 1247 . 1 1 96 96 LYS N N 15 120.332 0.400 . 1 . . . . 96 LYS N . 16970 1 1248 . 1 1 97 97 ASP H H 1 7.633 0.020 . 1 . . . . 97 ASP H . 16970 1 1249 . 1 1 97 97 ASP HA H 1 4.422 0.020 . 1 . . . . 97 ASP HA . 16970 1 1250 . 1 1 97 97 ASP HB2 H 1 2.777 0.020 . 2 . . . . 97 ASP HB2 . 16970 1 1251 . 1 1 97 97 ASP HB3 H 1 2.777 0.020 . 2 . . . . 97 ASP HB3 . 16970 1 1252 . 1 1 97 97 ASP C C 13 177.827 0.400 . 1 . . . . 97 ASP C . 16970 1 1253 . 1 1 97 97 ASP CA C 13 56.886 0.400 . 1 . . . . 97 ASP CA . 16970 1 1254 . 1 1 97 97 ASP CB C 13 41.401 0.400 . 1 . . . . 97 ASP CB . 16970 1 1255 . 1 1 97 97 ASP N N 15 118.810 0.400 . 1 . . . . 97 ASP N . 16970 1 1256 . 1 1 98 98 GLN H H 1 8.159 0.020 . 1 . . . . 98 GLN H . 16970 1 1257 . 1 1 98 98 GLN HA H 1 4.032 0.020 . 1 . . . . 98 GLN HA . 16970 1 1258 . 1 1 98 98 GLN HB2 H 1 2.165 0.020 . 2 . . . . 98 GLN HB2 . 16970 1 1259 . 1 1 98 98 GLN HB3 H 1 2.165 0.020 . 2 . . . . 98 GLN HB3 . 16970 1 1260 . 1 1 98 98 GLN HE21 H 1 7.466 0.020 . 2 . . . . 98 GLN HE21 . 16970 1 1261 . 1 1 98 98 GLN HE22 H 1 6.871 0.020 . 2 . . . . 98 GLN HE22 . 16970 1 1262 . 1 1 98 98 GLN HG2 H 1 2.555 0.020 . 2 . . . . 98 GLN HG2 . 16970 1 1263 . 1 1 98 98 GLN HG3 H 1 2.443 0.020 . 2 . . . . 98 GLN HG3 . 16970 1 1264 . 1 1 98 98 GLN C C 13 178.128 0.400 . 1 . . . . 98 GLN C . 16970 1 1265 . 1 1 98 98 GLN CA C 13 58.136 0.400 . 1 . . . . 98 GLN CA . 16970 1 1266 . 1 1 98 98 GLN CB C 13 28.560 0.400 . 1 . . . . 98 GLN CB . 16970 1 1267 . 1 1 98 98 GLN CG C 13 33.910 0.400 . 1 . . . . 98 GLN CG . 16970 1 1268 . 1 1 98 98 GLN N N 15 118.720 0.400 . 1 . . . . 98 GLN N . 16970 1 1269 . 1 1 98 98 GLN NE2 N 15 110.634 0.400 . 1 . . . . 98 GLN NE2 . 16970 1 1270 . 1 1 99 99 THR H H 1 7.917 0.020 . 1 . . . . 99 THR H . 16970 1 1271 . 1 1 99 99 THR HA H 1 3.984 0.020 . 1 . . . . 99 THR HA . 16970 1 1272 . 1 1 99 99 THR HB H 1 3.910 0.020 . 1 . . . . 99 THR HB . 16970 1 1273 . 1 1 99 99 THR HG21 H 1 0.899 0.020 . 1 . . . . 99 THR HG2 . 16970 1 1274 . 1 1 99 99 THR HG22 H 1 0.899 0.020 . 1 . . . . 99 THR HG2 . 16970 1 1275 . 1 1 99 99 THR HG23 H 1 0.899 0.020 . 1 . . . . 99 THR HG2 . 16970 1 1276 . 1 1 99 99 THR C C 13 175.628 0.400 . 1 . . . . 99 THR C . 16970 1 1277 . 1 1 99 99 THR CA C 13 64.102 0.400 . 1 . . . . 99 THR CA . 16970 1 1278 . 1 1 99 99 THR CB C 13 68.989 0.400 . 1 . . . . 99 THR CB . 16970 1 1279 . 1 1 99 99 THR CG2 C 13 21.109 0.400 . 1 . . . . 99 THR CG2 . 16970 1 1280 . 1 1 99 99 THR N N 15 112.430 0.400 . 1 . . . . 99 THR N . 16970 1 1281 . 1 1 100 100 ARG H H 1 7.659 0.020 . 1 . . . . 100 ARG H . 16970 1 1282 . 1 1 100 100 ARG HA H 1 4.070 0.020 . 1 . . . . 100 ARG HA . 16970 1 1283 . 1 1 100 100 ARG HB2 H 1 1.854 0.020 . 2 . . . . 100 ARG HB2 . 16970 1 1284 . 1 1 100 100 ARG HB3 H 1 1.854 0.020 . 2 . . . . 100 ARG HB3 . 16970 1 1285 . 1 1 100 100 ARG HD2 H 1 3.152 0.020 . 2 . . . . 100 ARG HD2 . 16970 1 1286 . 1 1 100 100 ARG HD3 H 1 3.152 0.020 . 2 . . . . 100 ARG HD3 . 16970 1 1287 . 1 1 100 100 ARG HG2 H 1 1.612 0.020 . 2 . . . . 100 ARG HG2 . 16970 1 1288 . 1 1 100 100 ARG HG3 H 1 1.531 0.020 . 2 . . . . 100 ARG HG3 . 16970 1 1289 . 1 1 100 100 ARG C C 13 177.211 0.400 . 1 . . . . 100 ARG C . 16970 1 1290 . 1 1 100 100 ARG CA C 13 57.947 0.400 . 1 . . . . 100 ARG CA . 16970 1 1291 . 1 1 100 100 ARG CB C 13 30.038 0.400 . 1 . . . . 100 ARG CB . 16970 1 1292 . 1 1 100 100 ARG CD C 13 43.270 0.400 . 1 . . . . 100 ARG CD . 16970 1 1293 . 1 1 100 100 ARG CG C 13 27.250 0.400 . 1 . . . . 100 ARG CG . 16970 1 1294 . 1 1 100 100 ARG N N 15 121.852 0.400 . 1 . . . . 100 ARG N . 16970 1 1295 . 1 1 101 101 ARG H H 1 7.950 0.020 . 1 . . . . 101 ARG H . 16970 1 1296 . 1 1 101 101 ARG HA H 1 4.119 0.020 . 1 . . . . 101 ARG HA . 16970 1 1297 . 1 1 101 101 ARG HB2 H 1 1.684 0.020 . 2 . . . . 101 ARG HB2 . 16970 1 1298 . 1 1 101 101 ARG HB3 H 1 1.684 0.020 . 2 . . . . 101 ARG HB3 . 16970 1 1299 . 1 1 101 101 ARG HD2 H 1 3.107 0.020 . 2 . . . . 101 ARG HD2 . 16970 1 1300 . 1 1 101 101 ARG HD3 H 1 3.052 0.020 . 2 . . . . 101 ARG HD3 . 16970 1 1301 . 1 1 101 101 ARG HG2 H 1 1.541 0.020 . 2 . . . . 101 ARG HG2 . 16970 1 1302 . 1 1 101 101 ARG HG3 H 1 1.444 0.020 . 2 . . . . 101 ARG HG3 . 16970 1 1303 . 1 1 101 101 ARG C C 13 177.188 0.400 . 1 . . . . 101 ARG C . 16970 1 1304 . 1 1 101 101 ARG CA C 13 57.394 0.400 . 1 . . . . 101 ARG CA . 16970 1 1305 . 1 1 101 101 ARG CB C 13 30.361 0.400 . 1 . . . . 101 ARG CB . 16970 1 1306 . 1 1 101 101 ARG CD C 13 43.390 0.400 . 1 . . . . 101 ARG CD . 16970 1 1307 . 1 1 101 101 ARG CG C 13 27.520 0.400 . 1 . . . . 101 ARG CG . 16970 1 1308 . 1 1 101 101 ARG N N 15 119.241 0.400 . 1 . . . . 101 ARG N . 16970 1 1309 . 1 1 102 102 TYR H H 1 7.976 0.020 . 1 . . . . 102 TYR H . 16970 1 1310 . 1 1 102 102 TYR HA H 1 4.508 0.020 . 1 . . . . 102 TYR HA . 16970 1 1311 . 1 1 102 102 TYR HB2 H 1 2.981 0.020 . 2 . . . . 102 TYR HB2 . 16970 1 1312 . 1 1 102 102 TYR HB3 H 1 3.107 0.020 . 2 . . . . 102 TYR HB3 . 16970 1 1313 . 1 1 102 102 TYR HD1 H 1 7.094 0.020 . 1 . . . . 102 TYR HD1 . 16970 1 1314 . 1 1 102 102 TYR HD2 H 1 7.094 0.020 . 1 . . . . 102 TYR HD2 . 16970 1 1315 . 1 1 102 102 TYR HE1 H 1 6.806 0.020 . 1 . . . . 102 TYR HE1 . 16970 1 1316 . 1 1 102 102 TYR HE2 H 1 6.806 0.020 . 1 . . . . 102 TYR HE2 . 16970 1 1317 . 1 1 102 102 TYR C C 13 176.454 0.400 . 1 . . . . 102 TYR C . 16970 1 1318 . 1 1 102 102 TYR CA C 13 58.433 0.400 . 1 . . . . 102 TYR CA . 16970 1 1319 . 1 1 102 102 TYR CB C 13 38.325 0.400 . 1 . . . . 102 TYR CB . 16970 1 1320 . 1 1 102 102 TYR CD1 C 13 134.184 0.400 . 1 . . . . 102 TYR CD1 . 16970 1 1321 . 1 1 102 102 TYR CD2 C 13 134.184 0.400 . 1 . . . . 102 TYR CD2 . 16970 1 1322 . 1 1 102 102 TYR CE1 C 13 119.200 0.400 . 1 . . . . 102 TYR CE1 . 16970 1 1323 . 1 1 102 102 TYR CE2 C 13 119.200 0.400 . 1 . . . . 102 TYR CE2 . 16970 1 1324 . 1 1 102 102 TYR N N 15 119.677 0.400 . 1 . . . . 102 TYR N . 16970 1 1325 . 1 1 103 103 LYS H H 1 8.038 0.020 . 1 . . . . 103 LYS H . 16970 1 1326 . 1 1 103 103 LYS HA H 1 4.172 0.020 . 1 . . . . 103 LYS HA . 16970 1 1327 . 1 1 103 103 LYS HB2 H 1 1.842 0.020 . 2 . . . . 103 LYS HB2 . 16970 1 1328 . 1 1 103 103 LYS HB3 H 1 1.797 0.020 . 2 . . . . 103 LYS HB3 . 16970 1 1329 . 1 1 103 103 LYS HD2 H 1 1.667 0.020 . 2 . . . . 103 LYS HD2 . 16970 1 1330 . 1 1 103 103 LYS HD3 H 1 1.667 0.020 . 2 . . . . 103 LYS HD3 . 16970 1 1331 . 1 1 103 103 LYS HE2 H 1 2.970 0.020 . 2 . . . . 103 LYS HE2 . 16970 1 1332 . 1 1 103 103 LYS HE3 H 1 2.970 0.020 . 2 . . . . 103 LYS HE3 . 16970 1 1333 . 1 1 103 103 LYS HG2 H 1 1.448 0.020 . 2 . . . . 103 LYS HG2 . 16970 1 1334 . 1 1 103 103 LYS HG3 H 1 1.392 0.020 . 2 . . . . 103 LYS HG3 . 16970 1 1335 . 1 1 103 103 LYS C C 13 177.029 0.400 . 1 . . . . 103 LYS C . 16970 1 1336 . 1 1 103 103 LYS CA C 13 56.959 0.400 . 1 . . . . 103 LYS CA . 16970 1 1337 . 1 1 103 103 LYS CB C 13 32.886 0.400 . 1 . . . . 103 LYS CB . 16970 1 1338 . 1 1 103 103 LYS CD C 13 29.120 0.400 . 1 . . . . 103 LYS CD . 16970 1 1339 . 1 1 103 103 LYS CE C 13 41.910 0.400 . 1 . . . . 103 LYS CE . 16970 1 1340 . 1 1 103 103 LYS CG C 13 24.805 0.400 . 1 . . . . 103 LYS CG . 16970 1 1341 . 1 1 103 103 LYS N N 15 121.793 0.400 . 1 . . . . 103 LYS N . 16970 1 1342 . 1 1 104 104 GLU H H 1 8.338 0.020 . 1 . . . . 104 GLU H . 16970 1 1343 . 1 1 104 104 GLU HA H 1 4.230 0.020 . 1 . . . . 104 GLU HA . 16970 1 1344 . 1 1 104 104 GLU HB2 H 1 2.083 0.020 . 2 . . . . 104 GLU HB2 . 16970 1 1345 . 1 1 104 104 GLU HB3 H 1 1.992 0.020 . 2 . . . . 104 GLU HB3 . 16970 1 1346 . 1 1 104 104 GLU HG2 H 1 2.344 0.020 . 2 . . . . 104 GLU HG2 . 16970 1 1347 . 1 1 104 104 GLU HG3 H 1 2.284 0.020 . 2 . . . . 104 GLU HG3 . 16970 1 1348 . 1 1 104 104 GLU C C 13 176.899 0.400 . 1 . . . . 104 GLU C . 16970 1 1349 . 1 1 104 104 GLU CA C 13 57.124 0.400 . 1 . . . . 104 GLU CA . 16970 1 1350 . 1 1 104 104 GLU CB C 13 30.067 0.400 . 1 . . . . 104 GLU CB . 16970 1 1351 . 1 1 104 104 GLU CG C 13 36.348 0.400 . 1 . . . . 104 GLU CG . 16970 1 1352 . 1 1 104 104 GLU N N 15 120.936 0.400 . 1 . . . . 104 GLU N . 16970 1 1353 . 1 1 105 105 SER H H 1 8.207 0.020 . 1 . . . . 105 SER H . 16970 1 1354 . 1 1 105 105 SER HA H 1 4.454 0.020 . 1 . . . . 105 SER HA . 16970 1 1355 . 1 1 105 105 SER HB2 H 1 3.925 0.020 . 2 . . . . 105 SER HB2 . 16970 1 1356 . 1 1 105 105 SER HB3 H 1 3.925 0.020 . 2 . . . . 105 SER HB3 . 16970 1 1357 . 1 1 105 105 SER C C 13 174.704 0.400 . 1 . . . . 105 SER C . 16970 1 1358 . 1 1 105 105 SER CA C 13 58.519 0.400 . 1 . . . . 105 SER CA . 16970 1 1359 . 1 1 105 105 SER CB C 13 63.899 0.400 . 1 . . . . 105 SER CB . 16970 1 1360 . 1 1 105 105 SER N N 15 115.800 0.400 . 1 . . . . 105 SER N . 16970 1 1361 . 1 1 106 106 SER H H 1 8.237 0.020 . 1 . . . . 106 SER H . 16970 1 1362 . 1 1 106 106 SER HA H 1 4.454 0.020 . 1 . . . . 106 SER HA . 16970 1 1363 . 1 1 106 106 SER HB2 H 1 3.874 0.020 . 2 . . . . 106 SER HB2 . 16970 1 1364 . 1 1 106 106 SER HB3 H 1 3.874 0.020 . 2 . . . . 106 SER HB3 . 16970 1 1365 . 1 1 106 106 SER C C 13 174.490 0.400 . 1 . . . . 106 SER C . 16970 1 1366 . 1 1 106 106 SER CA C 13 58.519 0.400 . 1 . . . . 106 SER CA . 16970 1 1367 . 1 1 106 106 SER CB C 13 63.649 0.400 . 1 . . . . 106 SER CB . 16970 1 1368 . 1 1 106 106 SER N N 15 117.611 0.400 . 1 . . . . 106 SER N . 16970 1 1369 . 1 1 107 107 ILE H H 1 7.981 0.020 . 1 . . . . 107 ILE H . 16970 1 1370 . 1 1 107 107 ILE HA H 1 4.168 0.020 . 1 . . . . 107 ILE HA . 16970 1 1371 . 1 1 107 107 ILE HB H 1 1.847 0.020 . 1 . . . . 107 ILE HB . 16970 1 1372 . 1 1 107 107 ILE HD11 H 1 0.838 0.020 . 1 . . . . 107 ILE HD1 . 16970 1 1373 . 1 1 107 107 ILE HD12 H 1 0.838 0.020 . 1 . . . . 107 ILE HD1 . 16970 1 1374 . 1 1 107 107 ILE HD13 H 1 0.838 0.020 . 1 . . . . 107 ILE HD1 . 16970 1 1375 . 1 1 107 107 ILE HG12 H 1 1.457 0.020 . 2 . . . . 107 ILE HG12 . 16970 1 1376 . 1 1 107 107 ILE HG13 H 1 1.168 0.020 . 2 . . . . 107 ILE HG13 . 16970 1 1377 . 1 1 107 107 ILE HG21 H 1 0.886 0.020 . 1 . . . . 107 ILE HG2 . 16970 1 1378 . 1 1 107 107 ILE HG22 H 1 0.886 0.020 . 1 . . . . 107 ILE HG2 . 16970 1 1379 . 1 1 107 107 ILE HG23 H 1 0.886 0.020 . 1 . . . . 107 ILE HG2 . 16970 1 1380 . 1 1 107 107 ILE C C 13 176.034 0.400 . 1 . . . . 107 ILE C . 16970 1 1381 . 1 1 107 107 ILE CA C 13 61.121 0.400 . 1 . . . . 107 ILE CA . 16970 1 1382 . 1 1 107 107 ILE CB C 13 38.702 0.400 . 1 . . . . 107 ILE CB . 16970 1 1383 . 1 1 107 107 ILE CD1 C 13 12.952 0.400 . 1 . . . . 107 ILE CD1 . 16970 1 1384 . 1 1 107 107 ILE CG1 C 13 27.343 0.400 . 1 . . . . 107 ILE CG1 . 16970 1 1385 . 1 1 107 107 ILE CG2 C 13 17.259 0.400 . 1 . . . . 107 ILE CG2 . 16970 1 1386 . 1 1 107 107 ILE N N 15 121.773 0.400 . 1 . . . . 107 ILE N . 16970 1 1387 . 1 1 108 108 GLN H H 1 8.355 0.020 . 1 . . . . 108 GLN H . 16970 1 1388 . 1 1 108 108 GLN HA H 1 4.380 0.020 . 1 . . . . 108 GLN HA . 16970 1 1389 . 1 1 108 108 GLN HB2 H 1 2.137 0.020 . 2 . . . . 108 GLN HB2 . 16970 1 1390 . 1 1 108 108 GLN HB3 H 1 1.982 0.020 . 2 . . . . 108 GLN HB3 . 16970 1 1391 . 1 1 108 108 GLN HG2 H 1 2.345 0.020 . 2 . . . . 108 GLN HG2 . 16970 1 1392 . 1 1 108 108 GLN HG3 H 1 2.345 0.020 . 2 . . . . 108 GLN HG3 . 16970 1 1393 . 1 1 108 108 GLN C C 13 175.777 0.400 . 1 . . . . 108 GLN C . 16970 1 1394 . 1 1 108 108 GLN CA C 13 55.591 0.400 . 1 . . . . 108 GLN CA . 16970 1 1395 . 1 1 108 108 GLN CB C 13 29.340 0.400 . 1 . . . . 108 GLN CB . 16970 1 1396 . 1 1 108 108 GLN CG C 13 33.795 0.400 . 1 . . . . 108 GLN CG . 16970 1 1397 . 1 1 108 108 GLN N N 15 124.276 0.400 . 1 . . . . 108 GLN N . 16970 1 1398 . 1 1 109 109 ILE H H 1 8.226 0.020 . 1 . . . . 109 ILE H . 16970 1 1399 . 1 1 109 109 ILE HA H 1 4.167 0.020 . 1 . . . . 109 ILE HA . 16970 1 1400 . 1 1 109 109 ILE HB H 1 1.847 0.020 . 1 . . . . 109 ILE HB . 16970 1 1401 . 1 1 109 109 ILE HD11 H 1 0.838 0.020 . 1 . . . . 109 ILE HD1 . 16970 1 1402 . 1 1 109 109 ILE HD12 H 1 0.838 0.020 . 1 . . . . 109 ILE HD1 . 16970 1 1403 . 1 1 109 109 ILE HD13 H 1 0.838 0.020 . 1 . . . . 109 ILE HD1 . 16970 1 1404 . 1 1 109 109 ILE HG12 H 1 1.457 0.020 . 2 . . . . 109 ILE HG12 . 16970 1 1405 . 1 1 109 109 ILE HG13 H 1 1.169 0.020 . 2 . . . . 109 ILE HG13 . 16970 1 1406 . 1 1 109 109 ILE HG21 H 1 0.883 0.020 . 1 . . . . 109 ILE HG2 . 16970 1 1407 . 1 1 109 109 ILE HG22 H 1 0.883 0.020 . 1 . . . . 109 ILE HG2 . 16970 1 1408 . 1 1 109 109 ILE HG23 H 1 0.883 0.020 . 1 . . . . 109 ILE HG2 . 16970 1 1409 . 1 1 109 109 ILE C C 13 176.495 0.400 . 1 . . . . 109 ILE C . 16970 1 1410 . 1 1 109 109 ILE CA C 13 61.121 0.400 . 1 . . . . 109 ILE CA . 16970 1 1411 . 1 1 109 109 ILE CB C 13 38.699 0.400 . 1 . . . . 109 ILE CB . 16970 1 1412 . 1 1 109 109 ILE CD1 C 13 12.952 0.400 . 1 . . . . 109 ILE CD1 . 16970 1 1413 . 1 1 109 109 ILE CG1 C 13 27.344 0.400 . 1 . . . . 109 ILE CG1 . 16970 1 1414 . 1 1 109 109 ILE CG2 C 13 17.516 0.400 . 1 . . . . 109 ILE CG2 . 16970 1 1415 . 1 1 109 109 ILE N N 15 122.398 0.400 . 1 . . . . 109 ILE N . 16970 1 1416 . 1 1 110 110 GLY H H 1 8.456 0.020 . 1 . . . . 110 GLY H . 16970 1 1417 . 1 1 110 110 GLY HA2 H 1 3.961 0.020 . 2 . . . . 110 GLY HA2 . 16970 1 1418 . 1 1 110 110 GLY HA3 H 1 3.961 0.020 . 2 . . . . 110 GLY HA3 . 16970 1 1419 . 1 1 110 110 GLY C C 13 172.886 0.400 . 1 . . . . 110 GLY C . 16970 1 1420 . 1 1 110 110 GLY CA C 13 45.260 0.400 . 1 . . . . 110 GLY CA . 16970 1 1421 . 1 1 110 110 GLY N N 15 113.100 0.400 . 1 . . . . 110 GLY N . 16970 1 1422 . 1 1 111 111 ASN H H 1 8.006 0.020 . 1 . . . . 111 ASN H . 16970 1 1423 . 1 1 111 111 ASN HA H 1 4.527 0.020 . 1 . . . . 111 ASN HA . 16970 1 1424 . 1 1 111 111 ASN HB2 H 1 2.789 0.020 . 2 . . . . 111 ASN HB2 . 16970 1 1425 . 1 1 111 111 ASN HB3 H 1 2.680 0.020 . 2 . . . . 111 ASN HB3 . 16970 1 1426 . 1 1 111 111 ASN C C 13 177.899 0.400 . 1 . . . . 111 ASN C . 16970 1 1427 . 1 1 111 111 ASN CA C 13 54.568 0.400 . 1 . . . . 111 ASN CA . 16970 1 1428 . 1 1 111 111 ASN CB C 13 40.877 0.400 . 1 . . . . 111 ASN CB . 16970 1 1429 . 1 1 111 111 ASN N N 15 124.257 0.400 . 1 . . . . 111 ASN N . 16970 1 1430 . 1 1 112 112 GLY H H 1 8.308 0.020 . 1 . . . . 112 GLY H . 16970 1 1431 . 1 1 112 112 GLY HA2 H 1 3.873 0.020 . 2 . . . . 112 GLY HA2 . 16970 1 1432 . 1 1 112 112 GLY HA3 H 1 3.873 0.020 . 2 . . . . 112 GLY HA3 . 16970 1 1433 . 1 1 112 112 GLY C C 13 174.412 0.400 . 1 . . . . 112 GLY C . 16970 1 1434 . 1 1 112 112 GLY CA C 13 45.404 0.400 . 1 . . . . 112 GLY CA . 16970 1 1435 . 1 1 112 112 GLY N N 15 113.600 0.400 . 1 . . . . 112 GLY N . 16970 1 1436 . 1 1 113 113 HIS H H 1 8.236 0.020 . 1 . . . . 113 HIS H . 16970 1 1437 . 1 1 113 113 HIS HA H 1 4.528 0.020 . 1 . . . . 113 HIS HA . 16970 1 1438 . 1 1 113 113 HIS HB2 H 1 2.993 0.020 . 2 . . . . 113 HIS HB2 . 16970 1 1439 . 1 1 113 113 HIS HB3 H 1 2.947 0.020 . 2 . . . . 113 HIS HB3 . 16970 1 1440 . 1 1 113 113 HIS HD2 H 1 6.865 0.020 . 1 . . . . 113 HIS HD2 . 16970 1 1441 . 1 1 113 113 HIS C C 13 175.988 0.400 . 1 . . . . 113 HIS C . 16970 1 1442 . 1 1 113 113 HIS CA C 13 56.189 0.400 . 1 . . . . 113 HIS CA . 16970 1 1443 . 1 1 113 113 HIS CB C 13 30.927 0.400 . 1 . . . . 113 HIS CB . 16970 1 1444 . 1 1 113 113 HIS CD2 C 13 120.679 0.400 . 1 . . . . 113 HIS CD2 . 16970 1 1445 . 1 1 113 113 HIS N N 15 119.074 0.400 . 1 . . . . 113 HIS N . 16970 1 1446 . 1 1 114 114 GLY H H 1 8.492 0.020 . 1 . . . . 114 GLY H . 16970 1 1447 . 1 1 114 114 GLY HA2 H 1 3.950 0.020 . 2 . . . . 114 GLY HA2 . 16970 1 1448 . 1 1 114 114 GLY HA3 H 1 3.950 0.020 . 2 . . . . 114 GLY HA3 . 16970 1 1449 . 1 1 114 114 GLY C C 13 174.287 0.400 . 1 . . . . 114 GLY C . 16970 1 1450 . 1 1 114 114 GLY CA C 13 45.260 0.400 . 1 . . . . 114 GLY CA . 16970 1 1451 . 1 1 114 114 GLY N N 15 110.136 0.400 . 1 . . . . 114 GLY N . 16970 1 1452 . 1 1 115 115 GLN H H 1 8.355 0.020 . 1 . . . . 115 GLN H . 16970 1 1453 . 1 1 115 115 GLN HA H 1 4.397 0.020 . 1 . . . . 115 GLN HA . 16970 1 1454 . 1 1 115 115 GLN HB2 H 1 2.131 0.020 . 2 . . . . 115 GLN HB2 . 16970 1 1455 . 1 1 115 115 GLN HB3 H 1 1.981 0.020 . 2 . . . . 115 GLN HB3 . 16970 1 1456 . 1 1 115 115 GLN HG2 H 1 2.331 0.020 . 2 . . . . 115 GLN HG2 . 16970 1 1457 . 1 1 115 115 GLN HG3 H 1 2.331 0.020 . 2 . . . . 115 GLN HG3 . 16970 1 1458 . 1 1 115 115 GLN C C 13 176.266 0.400 . 1 . . . . 115 GLN C . 16970 1 1459 . 1 1 115 115 GLN CA C 13 55.840 0.400 . 1 . . . . 115 GLN CA . 16970 1 1460 . 1 1 115 115 GLN CB C 13 29.450 0.400 . 1 . . . . 115 GLN CB . 16970 1 1461 . 1 1 115 115 GLN CG C 13 33.800 0.400 . 1 . . . . 115 GLN CG . 16970 1 1462 . 1 1 115 115 GLN N N 15 119.904 0.400 . 1 . . . . 115 GLN N . 16970 1 1463 . 1 1 116 116 SER H H 1 8.436 0.020 . 1 . . . . 116 SER H . 16970 1 1464 . 1 1 116 116 SER HA H 1 4.446 0.020 . 1 . . . . 116 SER HA . 16970 1 1465 . 1 1 116 116 SER HB2 H 1 3.879 0.020 . 2 . . . . 116 SER HB2 . 16970 1 1466 . 1 1 116 116 SER HB3 H 1 3.879 0.020 . 2 . . . . 116 SER HB3 . 16970 1 1467 . 1 1 116 116 SER C C 13 174.630 0.400 . 1 . . . . 116 SER C . 16970 1 1468 . 1 1 116 116 SER CA C 13 58.519 0.400 . 1 . . . . 116 SER CA . 16970 1 1469 . 1 1 116 116 SER CB C 13 63.644 0.400 . 1 . . . . 116 SER CB . 16970 1 1470 . 1 1 116 116 SER N N 15 116.898 0.400 . 1 . . . . 116 SER N . 16970 1 1471 . 1 1 117 117 GLN H H 1 8.487 0.020 . 1 . . . . 117 GLN H . 16970 1 1472 . 1 1 117 117 GLN HA H 1 4.366 0.020 . 1 . . . . 117 GLN HA . 16970 1 1473 . 1 1 117 117 GLN HB2 H 1 2.137 0.020 . 2 . . . . 117 GLN HB2 . 16970 1 1474 . 1 1 117 117 GLN HB3 H 1 1.983 0.020 . 2 . . . . 117 GLN HB3 . 16970 1 1475 . 1 1 117 117 GLN HG2 H 1 2.331 0.020 . 2 . . . . 117 GLN HG2 . 16970 1 1476 . 1 1 117 117 GLN HG3 H 1 2.331 0.020 . 2 . . . . 117 GLN HG3 . 16970 1 1477 . 1 1 117 117 GLN C C 13 176.365 0.400 . 1 . . . . 117 GLN C . 16970 1 1478 . 1 1 117 117 GLN CA C 13 55.869 0.400 . 1 . . . . 117 GLN CA . 16970 1 1479 . 1 1 117 117 GLN CB C 13 29.580 0.400 . 1 . . . . 117 GLN CB . 16970 1 1480 . 1 1 117 117 GLN CG C 13 33.800 0.400 . 1 . . . . 117 GLN CG . 16970 1 1481 . 1 1 117 117 GLN N N 15 122.009 0.400 . 1 . . . . 117 GLN N . 16970 1 1482 . 1 1 118 118 GLY H H 1 8.480 0.020 . 1 . . . . 118 GLY H . 16970 1 1483 . 1 1 118 118 GLY HA2 H 1 3.957 0.020 . 2 . . . . 118 GLY HA2 . 16970 1 1484 . 1 1 118 118 GLY HA3 H 1 3.957 0.020 . 2 . . . . 118 GLY HA3 . 16970 1 1485 . 1 1 118 118 GLY C C 13 174.171 0.400 . 1 . . . . 118 GLY C . 16970 1 1486 . 1 1 118 118 GLY CA C 13 45.260 0.400 . 1 . . . . 118 GLY CA . 16970 1 1487 . 1 1 118 118 GLY N N 15 109.812 0.400 . 1 . . . . 118 GLY N . 16970 1 1488 . 1 1 119 119 LEU H H 1 8.116 0.020 . 1 . . . . 119 LEU H . 16970 1 1489 . 1 1 119 119 LEU HA H 1 4.300 0.020 . 1 . . . . 119 LEU HA . 16970 1 1490 . 1 1 119 119 LEU HB2 H 1 1.574 0.020 . 2 . . . . 119 LEU HB2 . 16970 1 1491 . 1 1 119 119 LEU HB3 H 1 1.511 0.020 . 2 . . . . 119 LEU HB3 . 16970 1 1492 . 1 1 119 119 LEU HD11 H 1 0.879 0.020 . 2 . . . . 119 LEU HD1 . 16970 1 1493 . 1 1 119 119 LEU HD12 H 1 0.879 0.020 . 2 . . . . 119 LEU HD1 . 16970 1 1494 . 1 1 119 119 LEU HD13 H 1 0.879 0.020 . 2 . . . . 119 LEU HD1 . 16970 1 1495 . 1 1 119 119 LEU HD21 H 1 0.820 0.020 . 2 . . . . 119 LEU HD2 . 16970 1 1496 . 1 1 119 119 LEU HD22 H 1 0.820 0.020 . 2 . . . . 119 LEU HD2 . 16970 1 1497 . 1 1 119 119 LEU HD23 H 1 0.820 0.020 . 2 . . . . 119 LEU HD2 . 16970 1 1498 . 1 1 119 119 LEU HG H 1 1.557 0.020 . 1 . . . . 119 LEU HG . 16970 1 1499 . 1 1 119 119 LEU C C 13 177.542 0.400 . 1 . . . . 119 LEU C . 16970 1 1500 . 1 1 119 119 LEU CA C 13 55.139 0.400 . 1 . . . . 119 LEU CA . 16970 1 1501 . 1 1 119 119 LEU CB C 13 42.310 0.400 . 1 . . . . 119 LEU CB . 16970 1 1502 . 1 1 119 119 LEU CD1 C 13 25.010 0.400 . 1 . . . . 119 LEU CD1 . 16970 1 1503 . 1 1 119 119 LEU CD2 C 13 23.380 0.400 . 1 . . . . 119 LEU CD2 . 16970 1 1504 . 1 1 119 119 LEU CG C 13 26.970 0.400 . 1 . . . . 119 LEU CG . 16970 1 1505 . 1 1 119 119 LEU N N 15 121.297 0.400 . 1 . . . . 119 LEU N . 16970 1 1506 . 1 1 120 120 GLU H H 1 8.536 0.020 . 1 . . . . 120 GLU H . 16970 1 1507 . 1 1 120 120 GLU HA H 1 4.173 0.020 . 1 . . . . 120 GLU HA . 16970 1 1508 . 1 1 120 120 GLU HB2 H 1 1.903 0.020 . 2 . . . . 120 GLU HB2 . 16970 1 1509 . 1 1 120 120 GLU HB3 H 1 1.842 0.020 . 2 . . . . 120 GLU HB3 . 16970 1 1510 . 1 1 120 120 GLU HG2 H 1 2.189 0.020 . 2 . . . . 120 GLU HG2 . 16970 1 1511 . 1 1 120 120 GLU HG3 H 1 2.115 0.020 . 2 . . . . 120 GLU HG3 . 16970 1 1512 . 1 1 120 120 GLU C C 13 176.275 0.400 . 1 . . . . 120 GLU C . 16970 1 1513 . 1 1 120 120 GLU CA C 13 56.781 0.400 . 1 . . . . 120 GLU CA . 16970 1 1514 . 1 1 120 120 GLU CB C 13 30.050 0.400 . 1 . . . . 120 GLU CB . 16970 1 1515 . 1 1 120 120 GLU CG C 13 36.201 0.400 . 1 . . . . 120 GLU CG . 16970 1 1516 . 1 1 120 120 GLU N N 15 120.910 0.400 . 1 . . . . 120 GLU N . 16970 1 1517 . 2 2 1 1 GLY H H 1 8.373 0.020 . 1 . . . . 141 GLY H . 16970 1 1518 . 2 2 1 1 GLY HA2 H 1 3.905 0.020 . 2 . . . . 141 GLY HA2 . 16970 1 1519 . 2 2 1 1 GLY HA3 H 1 3.696 0.020 . 2 . . . . 141 GLY HA3 . 16970 1 1520 . 2 2 2 2 LYS H H 1 8.166 0.020 . 1 . . . . 142 LYS H . 16970 1 1521 . 2 2 2 2 LYS HB2 H 1 1.606 0.020 . 2 . . . . 142 LYS HB2 . 16970 1 1522 . 2 2 2 2 LYS HB3 H 1 1.436 0.020 . 2 . . . . 142 LYS HB3 . 16970 1 1523 . 2 2 2 2 LYS HD2 H 1 1.456 0.020 . 2 . . . . 142 LYS HD2 . 16970 1 1524 . 2 2 2 2 LYS HD3 H 1 1.456 0.020 . 2 . . . . 142 LYS HD3 . 16970 1 1525 . 2 2 2 2 LYS HE2 H 1 2.732 0.020 . 2 . . . . 142 LYS HE2 . 16970 1 1526 . 2 2 2 2 LYS HE3 H 1 2.579 0.020 . 2 . . . . 142 LYS HE3 . 16970 1 1527 . 2 2 2 2 LYS HG2 H 1 1.142 0.020 . 2 . . . . 142 LYS HG2 . 16970 1 1528 . 2 2 2 2 LYS HG3 H 1 0.830 0.020 . 2 . . . . 142 LYS HG3 . 16970 1 1529 . 2 2 3 3 PHE H H 1 9.122 0.020 . 1 . . . . 143 PHE H . 16970 1 1530 . 2 2 3 3 PHE HA H 1 3.882 0.020 . 1 . . . . 143 PHE HA . 16970 1 1531 . 2 2 3 3 PHE HB2 H 1 3.459 0.020 . 2 . . . . 143 PHE HB2 . 16970 1 1532 . 2 2 3 3 PHE HB3 H 1 3.459 0.020 . 2 . . . . 143 PHE HB3 . 16970 1 1533 . 2 2 3 3 PHE HD1 H 1 7.053 0.020 . 1 . . . . 143 PHE HD1 . 16970 1 1534 . 2 2 3 3 PHE HD2 H 1 7.053 0.020 . 1 . . . . 143 PHE HD2 . 16970 1 1535 . 2 2 3 3 PHE HE1 H 1 7.462 0.020 . 1 . . . . 143 PHE HE1 . 16970 1 1536 . 2 2 3 3 PHE HE2 H 1 7.462 0.020 . 1 . . . . 143 PHE HE2 . 16970 1 1537 . 2 2 3 3 PHE HZ H 1 7.386 0.020 . 1 . . . . 143 PHE HZ . 16970 1 1538 . 2 2 4 4 ILE H H 1 7.117 0.020 . 1 . . . . 144 ILE H . 16970 1 1539 . 2 2 4 4 ILE HA H 1 4.153 0.020 . 1 . . . . 144 ILE HA . 16970 1 1540 . 2 2 4 4 ILE HB H 1 1.809 0.020 . 1 . . . . 144 ILE HB . 16970 1 1541 . 2 2 4 4 ILE HD11 H 1 0.754 0.020 . 1 . . . . 144 ILE HD1 . 16970 1 1542 . 2 2 4 4 ILE HD12 H 1 0.754 0.020 . 1 . . . . 144 ILE HD1 . 16970 1 1543 . 2 2 4 4 ILE HD13 H 1 0.754 0.020 . 1 . . . . 144 ILE HD1 . 16970 1 1544 . 2 2 4 4 ILE HG12 H 1 1.241 0.020 . 2 . . . . 144 ILE HG12 . 16970 1 1545 . 2 2 4 4 ILE HG13 H 1 1.137 0.020 . 2 . . . . 144 ILE HG13 . 16970 1 1546 . 2 2 4 4 ILE HG21 H 1 0.625 0.020 . 1 . . . . 144 ILE HG2 . 16970 1 1547 . 2 2 4 4 ILE HG22 H 1 0.625 0.020 . 1 . . . . 144 ILE HG2 . 16970 1 1548 . 2 2 4 4 ILE HG23 H 1 0.625 0.020 . 1 . . . . 144 ILE HG2 . 16970 1 1549 . 2 2 5 5 PRO HA H 1 3.711 0.020 . 1 . . . . 145 PRO HA . 16970 1 1550 . 2 2 5 5 PRO HB2 H 1 1.352 0.020 . 2 . . . . 145 PRO HB2 . 16970 1 1551 . 2 2 5 5 PRO HB3 H 1 0.756 0.020 . 2 . . . . 145 PRO HB3 . 16970 1 1552 . 2 2 5 5 PRO HD2 H 1 2.947 0.020 . 2 . . . . 145 PRO HD2 . 16970 1 1553 . 2 2 5 5 PRO HD3 H 1 2.947 0.020 . 2 . . . . 145 PRO HD3 . 16970 1 1554 . 2 2 5 5 PRO HG2 H 1 0.852 0.020 . 2 . . . . 145 PRO HG2 . 16970 1 1555 . 2 2 5 5 PRO HG3 H 1 1.915 0.020 . 2 . . . . 145 PRO HG3 . 16970 1 1556 . 2 2 6 6 SER H H 1 8.672 0.020 . 1 . . . . 146 SER H . 16970 1 1557 . 2 2 6 6 SER HA H 1 4.433 0.020 . 1 . . . . 146 SER HA . 16970 1 1558 . 2 2 6 6 SER HB2 H 1 3.695 0.020 . 2 . . . . 146 SER HB2 . 16970 1 1559 . 2 2 6 6 SER HB3 H 1 3.695 0.020 . 2 . . . . 146 SER HB3 . 16970 1 1560 . 2 2 7 7 ARG H H 1 7.571 0.020 . 1 . . . . 147 ARG H . 16970 1 1561 . 2 2 7 7 ARG HA H 1 5.016 0.020 . 1 . . . . 147 ARG HA . 16970 1 1562 . 2 2 7 7 ARG HB2 H 1 2.014 0.020 . 2 . . . . 147 ARG HB2 . 16970 1 1563 . 2 2 7 7 ARG HB3 H 1 1.650 0.020 . 2 . . . . 147 ARG HB3 . 16970 1 1564 . 2 2 7 7 ARG HD2 H 1 3.351 0.020 . 2 . . . . 147 ARG HD2 . 16970 1 1565 . 2 2 7 7 ARG HD3 H 1 2.900 0.020 . 2 . . . . 147 ARG HD3 . 16970 1 1566 . 2 2 7 7 ARG HG2 H 1 1.780 0.020 . 2 . . . . 147 ARG HG2 . 16970 1 1567 . 2 2 7 7 ARG HG3 H 1 1.780 0.020 . 2 . . . . 147 ARG HG3 . 16970 1 1568 . 2 2 8 8 PRO HB2 H 1 2.500 0.020 . 2 . . . . 148 PRO HB2 . 16970 1 1569 . 2 2 8 8 PRO HB3 H 1 1.829 0.020 . 2 . . . . 148 PRO HB3 . 16970 1 1570 . 2 2 8 8 PRO HD2 H 1 3.707 0.020 . 2 . . . . 148 PRO HD2 . 16970 1 1571 . 2 2 8 8 PRO HD3 H 1 3.854 0.020 . 2 . . . . 148 PRO HD3 . 16970 1 1572 . 2 2 8 8 PRO HG2 H 1 2.110 0.020 . 2 . . . . 148 PRO HG2 . 16970 1 1573 . 2 2 8 8 PRO HG3 H 1 2.040 0.020 . 2 . . . . 148 PRO HG3 . 16970 1 1574 . 2 2 9 9 ALA H H 1 8.883 0.020 . 1 . . . . 149 ALA H . 16970 1 1575 . 2 2 9 9 ALA HA H 1 3.870 0.020 . 1 . . . . 149 ALA HA . 16970 1 1576 . 2 2 9 9 ALA HB1 H 1 0.410 0.020 . 1 . . . . 149 ALA HB . 16970 1 1577 . 2 2 9 9 ALA HB2 H 1 0.410 0.020 . 1 . . . . 149 ALA HB . 16970 1 1578 . 2 2 9 9 ALA HB3 H 1 0.410 0.020 . 1 . . . . 149 ALA HB . 16970 1 1579 . 2 2 10 10 PRO HA H 1 4.303 0.020 . 1 . . . . 150 PRO HA . 16970 1 1580 . 2 2 10 10 PRO HB2 H 1 2.125 0.020 . 2 . . . . 150 PRO HB2 . 16970 1 1581 . 2 2 10 10 PRO HB3 H 1 1.733 0.020 . 2 . . . . 150 PRO HB3 . 16970 1 1582 . 2 2 10 10 PRO HD2 H 1 2.849 0.020 . 2 . . . . 150 PRO HD2 . 16970 1 1583 . 2 2 10 10 PRO HD3 H 1 2.849 0.020 . 2 . . . . 150 PRO HD3 . 16970 1 1584 . 2 2 10 10 PRO HG2 H 1 1.826 0.020 . 2 . . . . 150 PRO HG2 . 16970 1 1585 . 2 2 10 10 PRO HG3 H 1 1.498 0.020 . 2 . . . . 150 PRO HG3 . 16970 1 1586 . 2 2 11 11 LYS H H 1 8.416 0.020 . 1 . . . . 151 LYS H . 16970 1 1587 . 2 2 11 11 LYS HA H 1 4.467 0.020 . 1 . . . . 151 LYS HA . 16970 1 1588 . 2 2 11 11 LYS HB2 H 1 2.317 0.020 . 2 . . . . 151 LYS HB2 . 16970 1 1589 . 2 2 11 11 LYS HB3 H 1 1.640 0.020 . 2 . . . . 151 LYS HB3 . 16970 1 1590 . 2 2 11 11 LYS HD2 H 1 1.730 0.020 . 2 . . . . 151 LYS HD2 . 16970 1 1591 . 2 2 11 11 LYS HD3 H 1 1.580 0.020 . 2 . . . . 151 LYS HD3 . 16970 1 1592 . 2 2 11 11 LYS HE2 H 1 3.074 0.020 . 2 . . . . 151 LYS HE2 . 16970 1 1593 . 2 2 11 11 LYS HE3 H 1 3.074 0.020 . 2 . . . . 151 LYS HE3 . 16970 1 1594 . 2 2 11 11 LYS HG2 H 1 2.053 0.020 . 2 . . . . 151 LYS HG2 . 16970 1 1595 . 2 2 11 11 LYS HG3 H 1 1.830 0.020 . 2 . . . . 151 LYS HG3 . 16970 1 1596 . 2 2 12 12 PRO HB2 H 1 1.586 0.020 . 2 . . . . 152 PRO HB2 . 16970 1 1597 . 2 2 12 12 PRO HB3 H 1 1.586 0.020 . 2 . . . . 152 PRO HB3 . 16970 1 1598 . 2 2 12 12 PRO HD2 H 1 3.658 0.020 . 2 . . . . 152 PRO HD2 . 16970 1 1599 . 2 2 12 12 PRO HD3 H 1 3.230 0.020 . 2 . . . . 152 PRO HD3 . 16970 1 1600 . 2 2 12 12 PRO HG2 H 1 1.829 0.020 . 2 . . . . 152 PRO HG2 . 16970 1 1601 . 2 2 12 12 PRO HG3 H 1 1.689 0.020 . 2 . . . . 152 PRO HG3 . 16970 1 1602 . 2 2 13 13 PRO HB2 H 1 1.800 0.020 . 2 . . . . 153 PRO HB2 . 16970 1 1603 . 2 2 13 13 PRO HB3 H 1 1.736 0.020 . 2 . . . . 153 PRO HB3 . 16970 1 1604 . 2 2 13 13 PRO HD2 H 1 3.820 0.020 . 2 . . . . 153 PRO HD2 . 16970 1 1605 . 2 2 13 13 PRO HD3 H 1 3.820 0.020 . 2 . . . . 153 PRO HD3 . 16970 1 1606 . 2 2 13 13 PRO HG2 H 1 1.497 0.020 . 2 . . . . 153 PRO HG2 . 16970 1 1607 . 2 2 13 13 PRO HG3 H 1 1.239 0.020 . 2 . . . . 153 PRO HG3 . 16970 1 1608 . 2 2 14 14 SER H H 1 8.091 0.020 . 1 . . . . 154 SER H . 16970 1 1609 . 2 2 14 14 SER HA H 1 4.330 0.020 . 1 . . . . 154 SER HA . 16970 1 1610 . 2 2 14 14 SER HB2 H 1 3.870 0.020 . 2 . . . . 154 SER HB2 . 16970 1 1611 . 2 2 14 14 SER HB3 H 1 3.788 0.020 . 2 . . . . 154 SER HB3 . 16970 1 1612 . 2 2 15 15 SER H H 1 8.338 0.020 . 1 . . . . 155 SER H . 16970 1 1613 . 2 2 15 15 SER HA H 1 4.430 0.020 . 1 . . . . 155 SER HA . 16970 1 1614 . 2 2 15 15 SER HB2 H 1 3.950 0.020 . 2 . . . . 155 SER HB2 . 16970 1 1615 . 2 2 15 15 SER HB3 H 1 3.840 0.020 . 2 . . . . 155 SER HB3 . 16970 1 1616 . 2 2 16 16 ALA H H 1 8.266 0.020 . 1 . . . . 156 ALA H . 16970 1 1617 . 2 2 16 16 ALA HA H 1 4.443 0.020 . 1 . . . . 156 ALA HA . 16970 1 1618 . 2 2 16 16 ALA HB1 H 1 1.387 0.020 . 1 . . . . 156 ALA HB . 16970 1 1619 . 2 2 16 16 ALA HB2 H 1 1.387 0.020 . 1 . . . . 156 ALA HB . 16970 1 1620 . 2 2 16 16 ALA HB3 H 1 1.387 0.020 . 1 . . . . 156 ALA HB . 16970 1 stop_ save_