data_25016 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25016 _Entry.Title ; Solution structure of Y125F mutant of eRF1 N-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-12 _Entry.Accession_date 2014-06-12 _Entry.Last_release_date 2015-06-15 _Entry.Original_release_date 2015-06-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 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 Shubhadra Pillay . . . 25016 2 Yan Li . . . 25016 3 'Leo E' Wong . . . 25016 4 Konstantin Pervushin . . . 25016 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' . 25016 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 25016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 25016 '15N chemical shifts' 146 25016 '1H chemical shifts' 975 25016 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-15 . original BMRB . 25016 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQ6 'BMRB Entry Tracking System' 25016 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25016 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural insights of eRF1 mutants and their correlation with stop codon recognition ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'ACS chemical biology' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shubhadra Pillay . . . 25016 1 2 Yan Li . . . 25016 1 3 'Leo E' Wong . . . 25016 1 4 Konstantin Pervushin . . . 25016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25016 _Assembly.ID 1 _Assembly.Name 'Y125F mutant of eRF1 N-domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Y125F mutant of eRF1 N-domain' 1 $entity A . yes native no no . . . 25016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25016 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MADDPSAADRNVEIWKIKKL IKSLEAARGNGTSMISLIIP PKDQISRVAKMLADEFGTAS NIKSRVNRLSVLGAITSVQQ RLKLYNKVPPNGLVVYCGTI VTEEGKEKKVNIDFEPFKPI NTSLFLCDNKFHTEALTALL SD ; _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15682.319 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18092 . NeRF1 . . . . . 100.00 150 99.30 100.00 5.15e-98 . . . . 25016 1 2 no BMRB 19506 . eRF1 . . . . . 100.00 445 99.30 100.00 1.08e-94 . . . . 25016 1 3 no BMRB 25020 . entity . . . . . 100.00 142 98.59 100.00 3.21e-97 . . . . 25016 1 4 no PDB 1DT9 . "The Crystal Structure Of Human Eukaryotic Release Factor Erf1-Mechanism Of Stop Codon Recognition And Peptidyl-Trna Hydrolysis" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 5 no PDB 2LLX . "Solution Structure Of The N-Terminal Domain Of Human Polypeptide Chain Release Factor Erf1" . . . . . 100.00 150 99.30 100.00 5.15e-98 . . . . 25016 1 6 no PDB 2MQ6 . "Solution Structure Of Y125f Mutant Of Erf1 N-domain" . . . . . 100.00 142 100.00 100.00 4.21e-98 . . . . 25016 1 7 no PDB 2MQ9 . "Solution Structure Of E55q Mutant Of Erf1 N-domain" . . . . . 100.00 142 98.59 100.00 3.21e-97 . . . . 25016 1 8 no PDB 3E1Y . "Crystal Structure Of Human Erf1ERF3 COMPLEX" . . . . . 100.00 451 99.30 100.00 1.03e-94 . . . . 25016 1 9 no PDB 3J5Y . "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" . . . . . 95.77 414 99.26 100.00 7.75e-90 . . . . 25016 1 10 no PDB 4D5N . "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " . . . . . 97.18 436 99.28 100.00 2.87e-91 . . . . 25016 1 11 no PDB 4D61 . "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " . . . . . 97.18 436 99.28 100.00 2.87e-91 . . . . 25016 1 12 no DBJ BAA85489 . "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 13 no DBJ BAC33839 . "unnamed protein product [Mus musculus]" . . . . . 100.00 437 99.30 100.00 1.26e-94 . . . . 25016 1 14 no DBJ BAE31210 . "unnamed protein product [Mus musculus]" . . . . . 64.79 387 98.91 100.00 2.86e-56 . . . . 25016 1 15 no DBJ BAE31619 . "unnamed protein product [Mus musculus]" . . . . . 64.79 387 98.91 100.00 2.86e-56 . . . . 25016 1 16 no DBJ BAE37589 . "unnamed protein product [Mus musculus]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 17 no EMBL CAA37987 . "suppressor [Xenopus laevis]" . . . . . 100.00 437 99.30 100.00 1.10e-94 . . . . 25016 1 18 no EMBL CAA57281 . "C11 protein [Homo sapiens]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 19 no EMBL CAA57282 . "C11 protein [Mesocricetus auratus]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 20 no EMBL CAA78620 . "XLCL1 [Xenopus laevis]" . . . . . 100.00 437 99.30 100.00 1.10e-94 . . . . 25016 1 21 no EMBL CAF90786 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 100.00 443 99.30 100.00 1.72e-94 . . . . 25016 1 22 no GB AAA36665 . "TB3-1 [Homo sapiens]" . . . . . 100.00 428 98.59 99.30 2.71e-93 . . . . 25016 1 23 no GB AAB49726 . "eukaryotic release factor 1 [Homo sapiens]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 24 no GB AAD43966 . "eRF1 [Homo sapiens]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 25 no GB AAH13717 . "Eukaryotic translation termination factor 1 [Mus musculus]" . . . . . 100.00 437 98.59 99.30 1.22e-93 . . . . 25016 1 26 no GB AAH14269 . "ETF1 protein [Homo sapiens]" . . . . . 76.76 404 99.08 100.00 4.99e-69 . . . . 25016 1 27 no REF NP_001008345 . "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 28 no REF NP_001069722 . "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 29 no REF NP_001076236 . "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 30 no REF NP_001084363 . "eukaryotic peptide chain release factor subunit 1 [Xenopus laevis]" . . . . . 100.00 437 99.30 100.00 1.10e-94 . . . . 25016 1 31 no REF NP_001126989 . "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" . . . . . 100.00 437 99.30 100.00 1.24e-94 . . . . 25016 1 32 no SP P35615 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=O" . . . . . 100.00 437 99.30 100.00 1.10e-94 . . . . 25016 1 33 no SP P62495 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=P" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 34 no SP P62496 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=Protein Cl1; Short=eR" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 35 no SP P62497 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 36 no SP P62498 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" . . . . . 100.00 437 99.30 100.00 1.42e-94 . . . . 25016 1 37 no TPG DAA27419 . "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" . . . . . 100.00 437 99.30 100.00 1.37e-94 . . . . 25016 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25016 1 2 2 ALA . 25016 1 3 3 ASP . 25016 1 4 4 ASP . 25016 1 5 5 PRO . 25016 1 6 6 SER . 25016 1 7 7 ALA . 25016 1 8 8 ALA . 25016 1 9 9 ASP . 25016 1 10 10 ARG . 25016 1 11 11 ASN . 25016 1 12 12 VAL . 25016 1 13 13 GLU . 25016 1 14 14 ILE . 25016 1 15 15 TRP . 25016 1 16 16 LYS . 25016 1 17 17 ILE . 25016 1 18 18 LYS . 25016 1 19 19 LYS . 25016 1 20 20 LEU . 25016 1 21 21 ILE . 25016 1 22 22 LYS . 25016 1 23 23 SER . 25016 1 24 24 LEU . 25016 1 25 25 GLU . 25016 1 26 26 ALA . 25016 1 27 27 ALA . 25016 1 28 28 ARG . 25016 1 29 29 GLY . 25016 1 30 30 ASN . 25016 1 31 31 GLY . 25016 1 32 32 THR . 25016 1 33 33 SER . 25016 1 34 34 MET . 25016 1 35 35 ILE . 25016 1 36 36 SER . 25016 1 37 37 LEU . 25016 1 38 38 ILE . 25016 1 39 39 ILE . 25016 1 40 40 PRO . 25016 1 41 41 PRO . 25016 1 42 42 LYS . 25016 1 43 43 ASP . 25016 1 44 44 GLN . 25016 1 45 45 ILE . 25016 1 46 46 SER . 25016 1 47 47 ARG . 25016 1 48 48 VAL . 25016 1 49 49 ALA . 25016 1 50 50 LYS . 25016 1 51 51 MET . 25016 1 52 52 LEU . 25016 1 53 53 ALA . 25016 1 54 54 ASP . 25016 1 55 55 GLU . 25016 1 56 56 PHE . 25016 1 57 57 GLY . 25016 1 58 58 THR . 25016 1 59 59 ALA . 25016 1 60 60 SER . 25016 1 61 61 ASN . 25016 1 62 62 ILE . 25016 1 63 63 LYS . 25016 1 64 64 SER . 25016 1 65 65 ARG . 25016 1 66 66 VAL . 25016 1 67 67 ASN . 25016 1 68 68 ARG . 25016 1 69 69 LEU . 25016 1 70 70 SER . 25016 1 71 71 VAL . 25016 1 72 72 LEU . 25016 1 73 73 GLY . 25016 1 74 74 ALA . 25016 1 75 75 ILE . 25016 1 76 76 THR . 25016 1 77 77 SER . 25016 1 78 78 VAL . 25016 1 79 79 GLN . 25016 1 80 80 GLN . 25016 1 81 81 ARG . 25016 1 82 82 LEU . 25016 1 83 83 LYS . 25016 1 84 84 LEU . 25016 1 85 85 TYR . 25016 1 86 86 ASN . 25016 1 87 87 LYS . 25016 1 88 88 VAL . 25016 1 89 89 PRO . 25016 1 90 90 PRO . 25016 1 91 91 ASN . 25016 1 92 92 GLY . 25016 1 93 93 LEU . 25016 1 94 94 VAL . 25016 1 95 95 VAL . 25016 1 96 96 TYR . 25016 1 97 97 CYS . 25016 1 98 98 GLY . 25016 1 99 99 THR . 25016 1 100 100 ILE . 25016 1 101 101 VAL . 25016 1 102 102 THR . 25016 1 103 103 GLU . 25016 1 104 104 GLU . 25016 1 105 105 GLY . 25016 1 106 106 LYS . 25016 1 107 107 GLU . 25016 1 108 108 LYS . 25016 1 109 109 LYS . 25016 1 110 110 VAL . 25016 1 111 111 ASN . 25016 1 112 112 ILE . 25016 1 113 113 ASP . 25016 1 114 114 PHE . 25016 1 115 115 GLU . 25016 1 116 116 PRO . 25016 1 117 117 PHE . 25016 1 118 118 LYS . 25016 1 119 119 PRO . 25016 1 120 120 ILE . 25016 1 121 121 ASN . 25016 1 122 122 THR . 25016 1 123 123 SER . 25016 1 124 124 LEU . 25016 1 125 125 PHE . 25016 1 126 126 LEU . 25016 1 127 127 CYS . 25016 1 128 128 ASP . 25016 1 129 129 ASN . 25016 1 130 130 LYS . 25016 1 131 131 PHE . 25016 1 132 132 HIS . 25016 1 133 133 THR . 25016 1 134 134 GLU . 25016 1 135 135 ALA . 25016 1 136 136 LEU . 25016 1 137 137 THR . 25016 1 138 138 ALA . 25016 1 139 139 LEU . 25016 1 140 140 LEU . 25016 1 141 141 SER . 25016 1 142 142 ASP . 25016 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 25016 1 . ALA 2 2 25016 1 . ASP 3 3 25016 1 . ASP 4 4 25016 1 . PRO 5 5 25016 1 . SER 6 6 25016 1 . ALA 7 7 25016 1 . ALA 8 8 25016 1 . ASP 9 9 25016 1 . ARG 10 10 25016 1 . ASN 11 11 25016 1 . VAL 12 12 25016 1 . GLU 13 13 25016 1 . ILE 14 14 25016 1 . TRP 15 15 25016 1 . LYS 16 16 25016 1 . ILE 17 17 25016 1 . LYS 18 18 25016 1 . LYS 19 19 25016 1 . LEU 20 20 25016 1 . ILE 21 21 25016 1 . LYS 22 22 25016 1 . SER 23 23 25016 1 . LEU 24 24 25016 1 . GLU 25 25 25016 1 . ALA 26 26 25016 1 . ALA 27 27 25016 1 . ARG 28 28 25016 1 . GLY 29 29 25016 1 . ASN 30 30 25016 1 . GLY 31 31 25016 1 . THR 32 32 25016 1 . SER 33 33 25016 1 . MET 34 34 25016 1 . ILE 35 35 25016 1 . SER 36 36 25016 1 . LEU 37 37 25016 1 . ILE 38 38 25016 1 . ILE 39 39 25016 1 . PRO 40 40 25016 1 . PRO 41 41 25016 1 . LYS 42 42 25016 1 . ASP 43 43 25016 1 . GLN 44 44 25016 1 . ILE 45 45 25016 1 . SER 46 46 25016 1 . ARG 47 47 25016 1 . VAL 48 48 25016 1 . ALA 49 49 25016 1 . LYS 50 50 25016 1 . MET 51 51 25016 1 . LEU 52 52 25016 1 . ALA 53 53 25016 1 . ASP 54 54 25016 1 . GLU 55 55 25016 1 . PHE 56 56 25016 1 . GLY 57 57 25016 1 . THR 58 58 25016 1 . ALA 59 59 25016 1 . SER 60 60 25016 1 . ASN 61 61 25016 1 . ILE 62 62 25016 1 . LYS 63 63 25016 1 . SER 64 64 25016 1 . ARG 65 65 25016 1 . VAL 66 66 25016 1 . ASN 67 67 25016 1 . ARG 68 68 25016 1 . LEU 69 69 25016 1 . SER 70 70 25016 1 . VAL 71 71 25016 1 . LEU 72 72 25016 1 . GLY 73 73 25016 1 . ALA 74 74 25016 1 . ILE 75 75 25016 1 . THR 76 76 25016 1 . SER 77 77 25016 1 . VAL 78 78 25016 1 . GLN 79 79 25016 1 . GLN 80 80 25016 1 . ARG 81 81 25016 1 . LEU 82 82 25016 1 . LYS 83 83 25016 1 . LEU 84 84 25016 1 . TYR 85 85 25016 1 . ASN 86 86 25016 1 . LYS 87 87 25016 1 . VAL 88 88 25016 1 . PRO 89 89 25016 1 . PRO 90 90 25016 1 . ASN 91 91 25016 1 . GLY 92 92 25016 1 . LEU 93 93 25016 1 . VAL 94 94 25016 1 . VAL 95 95 25016 1 . TYR 96 96 25016 1 . CYS 97 97 25016 1 . GLY 98 98 25016 1 . THR 99 99 25016 1 . ILE 100 100 25016 1 . VAL 101 101 25016 1 . THR 102 102 25016 1 . GLU 103 103 25016 1 . GLU 104 104 25016 1 . GLY 105 105 25016 1 . LYS 106 106 25016 1 . GLU 107 107 25016 1 . LYS 108 108 25016 1 . LYS 109 109 25016 1 . VAL 110 110 25016 1 . ASN 111 111 25016 1 . ILE 112 112 25016 1 . ASP 113 113 25016 1 . PHE 114 114 25016 1 . GLU 115 115 25016 1 . PRO 116 116 25016 1 . PHE 117 117 25016 1 . LYS 118 118 25016 1 . PRO 119 119 25016 1 . ILE 120 120 25016 1 . ASN 121 121 25016 1 . THR 122 122 25016 1 . SER 123 123 25016 1 . LEU 124 124 25016 1 . PHE 125 125 25016 1 . LEU 126 126 25016 1 . CYS 127 127 25016 1 . ASP 128 128 25016 1 . ASN 129 129 25016 1 . LYS 130 130 25016 1 . PHE 131 131 25016 1 . HIS 132 132 25016 1 . THR 133 133 25016 1 . GLU 134 134 25016 1 . ALA 135 135 25016 1 . LEU 136 136 25016 1 . THR 137 137 25016 1 . ALA 138 138 25016 1 . LEU 139 139 25016 1 . LEU 140 140 25016 1 . SER 141 141 25016 1 . ASP 142 142 25016 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25016 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25016 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 25016 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET23(+) . . . 25016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25016 _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 'Y125F mutant of eRF1 N-domain' '[U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 25016 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25016 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25016 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25016 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25016 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25016 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25016 _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 25016 1 pH 6 . pH 25016 1 pressure 1 . atm 25016 1 temperature 298 . K 25016 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25016 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25016 1 'Guntert, Mumenthaler and Wuthrich' . . 25016 1 'Keller and Wuthrich' . . 25016 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25016 1 collection 25016 1 'structure solution' 25016 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25016 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25016 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25016 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25016 1 2 spectrometer_2 Bruker Avance . 700 . . . 25016 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 25016 _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 . . . . . . . . . . . . . . . . . . . . . 25016 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25016 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25016 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 25016 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 25016 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 25016 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 25016 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25016 1 2 '3D 1H-15N NOESY' . . . 25016 1 3 '3D 1H-15N TOCSY' . . . 25016 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP H H 1 8.127 0.020 . . . . . A 3 ASP H . 25016 1 2 . 1 1 3 3 ASP HA H 1 3.967 0.020 . . . . . A 3 ASP HA . 25016 1 3 . 1 1 3 3 ASP HB2 H 1 2.310 0.020 . . . . . A 3 ASP HB2 . 25016 1 4 . 1 1 3 3 ASP HB3 H 1 2.310 0.020 . . . . . A 3 ASP HB3 . 25016 1 5 . 1 1 3 3 ASP CA C 13 53.824 0.300 . . . . . A 3 ASP CA . 25016 1 6 . 1 1 3 3 ASP N N 15 119.181 0.300 . . . . . A 3 ASP N . 25016 1 7 . 1 1 4 4 ASP H H 1 7.878 0.020 . . . . . A 4 ASP H . 25016 1 8 . 1 1 4 4 ASP HA H 1 4.279 0.020 . . . . . A 4 ASP HA . 25016 1 9 . 1 1 4 4 ASP HB2 H 1 2.288 0.020 . . . . . A 4 ASP HB2 . 25016 1 10 . 1 1 4 4 ASP HB3 H 1 2.288 0.020 . . . . . A 4 ASP HB3 . 25016 1 11 . 1 1 4 4 ASP N N 15 121.667 0.300 . . . . . A 4 ASP N . 25016 1 12 . 1 1 5 5 PRO HA H 1 4.184 0.020 . . . . . A 5 PRO HA . 25016 1 13 . 1 1 5 5 PRO HB2 H 1 2.045 0.020 . . . . . A 5 PRO HB2 . 25016 1 14 . 1 1 5 5 PRO HB3 H 1 2.045 0.020 . . . . . A 5 PRO HB3 . 25016 1 15 . 1 1 5 5 PRO HG2 H 1 1.742 0.020 . . . . . A 5 PRO HG2 . 25016 1 16 . 1 1 5 5 PRO HG3 H 1 1.742 0.020 . . . . . A 5 PRO HG3 . 25016 1 17 . 1 1 5 5 PRO HD2 H 1 3.590 0.020 . . . . . A 5 PRO HD2 . 25016 1 18 . 1 1 5 5 PRO HD3 H 1 3.590 0.020 . . . . . A 5 PRO HD3 . 25016 1 19 . 1 1 5 5 PRO CA C 13 63.685 0.300 . . . . . A 5 PRO CA . 25016 1 20 . 1 1 5 5 PRO CB C 13 31.833 0.300 . . . . . A 5 PRO CB . 25016 1 21 . 1 1 5 5 PRO CG C 13 26.856 0.300 . . . . . A 5 PRO CG . 25016 1 22 . 1 1 6 6 SER H H 1 8.234 0.020 . . . . . A 6 SER H . 25016 1 23 . 1 1 6 6 SER HA H 1 4.543 0.020 . . . . . A 6 SER HA . 25016 1 24 . 1 1 6 6 SER HB2 H 1 4.179 0.020 . . . . . A 6 SER HB2 . 25016 1 25 . 1 1 6 6 SER HB3 H 1 4.179 0.020 . . . . . A 6 SER HB3 . 25016 1 26 . 1 1 6 6 SER CA C 13 58.793 0.300 . . . . . A 6 SER CA . 25016 1 27 . 1 1 6 6 SER CB C 13 63.534 0.300 . . . . . A 6 SER CB . 25016 1 28 . 1 1 6 6 SER N N 15 115.854 0.300 . . . . . A 6 SER N . 25016 1 29 . 1 1 7 7 ALA H H 1 7.776 0.020 . . . . . A 7 ALA H . 25016 1 30 . 1 1 7 7 ALA HA H 1 4.517 0.020 . . . . . A 7 ALA HA . 25016 1 31 . 1 1 7 7 ALA HB1 H 1 1.150 0.020 . . . . . A 7 ALA HB1 . 25016 1 32 . 1 1 7 7 ALA HB2 H 1 1.150 0.020 . . . . . A 7 ALA HB2 . 25016 1 33 . 1 1 7 7 ALA HB3 H 1 1.150 0.020 . . . . . A 7 ALA HB3 . 25016 1 34 . 1 1 7 7 ALA CA C 13 53.184 0.300 . . . . . A 7 ALA CA . 25016 1 35 . 1 1 7 7 ALA CB C 13 18.694 0.300 . . . . . A 7 ALA CB . 25016 1 36 . 1 1 7 7 ALA N N 15 125.965 0.300 . . . . . A 7 ALA N . 25016 1 37 . 1 1 8 8 ALA H H 1 7.831 0.020 . . . . . A 8 ALA H . 25016 1 38 . 1 1 8 8 ALA HA H 1 4.251 0.020 . . . . . A 8 ALA HA . 25016 1 39 . 1 1 8 8 ALA HB1 H 1 1.112 0.020 . . . . . A 8 ALA HB1 . 25016 1 40 . 1 1 8 8 ALA HB2 H 1 1.112 0.020 . . . . . A 8 ALA HB2 . 25016 1 41 . 1 1 8 8 ALA HB3 H 1 1.112 0.020 . . . . . A 8 ALA HB3 . 25016 1 42 . 1 1 8 8 ALA CA C 13 53.381 0.300 . . . . . A 8 ALA CA . 25016 1 43 . 1 1 8 8 ALA CB C 13 18.411 0.300 . . . . . A 8 ALA CB . 25016 1 44 . 1 1 8 8 ALA N N 15 122.406 0.300 . . . . . A 8 ALA N . 25016 1 45 . 1 1 9 9 ASP H H 1 7.882 0.020 . . . . . A 9 ASP H . 25016 1 46 . 1 1 9 9 ASP HA H 1 4.239 0.020 . . . . . A 9 ASP HA . 25016 1 47 . 1 1 9 9 ASP HB2 H 1 2.445 0.020 . . . . . A 9 ASP HB2 . 25016 1 48 . 1 1 9 9 ASP HB3 H 1 2.445 0.020 . . . . . A 9 ASP HB3 . 25016 1 49 . 1 1 9 9 ASP CA C 13 54.957 0.300 . . . . . A 9 ASP CA . 25016 1 50 . 1 1 9 9 ASP CB C 13 40.623 0.300 . . . . . A 9 ASP CB . 25016 1 51 . 1 1 9 9 ASP N N 15 119.338 0.300 . . . . . A 9 ASP N . 25016 1 52 . 1 1 10 10 ARG H H 1 7.956 0.020 . . . . . A 10 ARG H . 25016 1 53 . 1 1 10 10 ARG HA H 1 3.835 0.020 . . . . . A 10 ARG HA . 25016 1 54 . 1 1 10 10 ARG HB2 H 1 1.576 0.020 . . . . . A 10 ARG HB2 . 25016 1 55 . 1 1 10 10 ARG HB3 H 1 1.576 0.020 . . . . . A 10 ARG HB3 . 25016 1 56 . 1 1 10 10 ARG HG2 H 1 1.325 0.020 . . . . . A 10 ARG HG2 . 25016 1 57 . 1 1 10 10 ARG HG3 H 1 1.325 0.020 . . . . . A 10 ARG HG3 . 25016 1 58 . 1 1 10 10 ARG CA C 13 57.701 0.300 . . . . . A 10 ARG CA . 25016 1 59 . 1 1 10 10 ARG CB C 13 29.881 0.300 . . . . . A 10 ARG CB . 25016 1 60 . 1 1 10 10 ARG CG C 13 26.837 0.300 . . . . . A 10 ARG CG . 25016 1 61 . 1 1 10 10 ARG N N 15 122.225 0.300 . . . . . A 10 ARG N . 25016 1 62 . 1 1 11 11 ASN H H 1 8.010 0.020 . . . . . A 11 ASN H . 25016 1 63 . 1 1 11 11 ASN HA H 1 4.233 0.020 . . . . . A 11 ASN HA . 25016 1 64 . 1 1 11 11 ASN HB2 H 1 2.495 0.020 . . . . . A 11 ASN HB2 . 25016 1 65 . 1 1 11 11 ASN HB3 H 1 2.495 0.020 . . . . . A 11 ASN HB3 . 25016 1 66 . 1 1 11 11 ASN HD21 H 1 7.469 0.020 . . . . . A 11 ASN HD21 . 25016 1 67 . 1 1 11 11 ASN HD22 H 1 6.709 0.020 . . . . . A 11 ASN HD22 . 25016 1 68 . 1 1 11 11 ASN CA C 13 55.040 0.300 . . . . . A 11 ASN CA . 25016 1 69 . 1 1 11 11 ASN CB C 13 37.793 0.300 . . . . . A 11 ASN CB . 25016 1 70 . 1 1 11 11 ASN N N 15 118.433 0.300 . . . . . A 11 ASN N . 25016 1 71 . 1 1 11 11 ASN ND2 N 15 113.774 0.300 . . . . . A 11 ASN ND2 . 25016 1 72 . 1 1 12 12 VAL H H 1 7.689 0.020 . . . . . A 12 VAL H . 25016 1 73 . 1 1 12 12 VAL HA H 1 3.565 0.020 . . . . . A 12 VAL HA . 25016 1 74 . 1 1 12 12 VAL HB H 1 1.899 0.020 . . . . . A 12 VAL HB . 25016 1 75 . 1 1 12 12 VAL HG11 H 1 0.743 0.020 . . . . . A 12 VAL HG11 . 25016 1 76 . 1 1 12 12 VAL HG12 H 1 0.743 0.020 . . . . . A 12 VAL HG12 . 25016 1 77 . 1 1 12 12 VAL HG13 H 1 0.743 0.020 . . . . . A 12 VAL HG13 . 25016 1 78 . 1 1 12 12 VAL HG21 H 1 0.743 0.020 . . . . . A 12 VAL HG21 . 25016 1 79 . 1 1 12 12 VAL HG22 H 1 0.743 0.020 . . . . . A 12 VAL HG22 . 25016 1 80 . 1 1 12 12 VAL HG23 H 1 0.743 0.020 . . . . . A 12 VAL HG23 . 25016 1 81 . 1 1 12 12 VAL CA C 13 65.406 0.300 . . . . . A 12 VAL CA . 25016 1 82 . 1 1 12 12 VAL CB C 13 31.559 0.300 . . . . . A 12 VAL CB . 25016 1 83 . 1 1 12 12 VAL CG1 C 13 20.934 0.300 . . . . . A 12 VAL CG1 . 25016 1 84 . 1 1 12 12 VAL CG2 C 13 21.838 0.300 . . . . . A 12 VAL CG2 . 25016 1 85 . 1 1 12 12 VAL N N 15 122.128 0.300 . . . . . A 12 VAL N . 25016 1 86 . 1 1 13 13 GLU H H 1 7.649 0.020 . . . . . A 13 GLU H . 25016 1 87 . 1 1 13 13 GLU HA H 1 3.755 0.020 . . . . . A 13 GLU HA . 25016 1 88 . 1 1 13 13 GLU HB2 H 1 1.370 0.020 . . . . . A 13 GLU HB2 . 25016 1 89 . 1 1 13 13 GLU HB3 H 1 1.370 0.020 . . . . . A 13 GLU HB3 . 25016 1 90 . 1 1 13 13 GLU HG2 H 1 1.889 0.020 . . . . . A 13 GLU HG2 . 25016 1 91 . 1 1 13 13 GLU HG3 H 1 1.889 0.020 . . . . . A 13 GLU HG3 . 25016 1 92 . 1 1 13 13 GLU CA C 13 58.335 0.300 . . . . . A 13 GLU CA . 25016 1 93 . 1 1 13 13 GLU CB C 13 29.406 0.300 . . . . . A 13 GLU CB . 25016 1 94 . 1 1 13 13 GLU CG C 13 35.262 0.300 . . . . . A 13 GLU CG . 25016 1 95 . 1 1 13 13 GLU N N 15 120.502 0.300 . . . . . A 13 GLU N . 25016 1 96 . 1 1 14 14 ILE H H 1 7.687 0.020 . . . . . A 14 ILE H . 25016 1 97 . 1 1 14 14 ILE HA H 1 3.169 0.020 . . . . . A 14 ILE HA . 25016 1 98 . 1 1 14 14 ILE HB H 1 1.519 0.020 . . . . . A 14 ILE HB . 25016 1 99 . 1 1 14 14 ILE HG12 H 1 1.205 0.020 . . . . . A 14 ILE HG12 . 25016 1 100 . 1 1 14 14 ILE HG13 H 1 0.456 0.020 . . . . . A 14 ILE HG13 . 25016 1 101 . 1 1 14 14 ILE HG21 H 1 0.453 0.020 . . . . . A 14 ILE HG21 . 25016 1 102 . 1 1 14 14 ILE HG22 H 1 0.453 0.020 . . . . . A 14 ILE HG22 . 25016 1 103 . 1 1 14 14 ILE HG23 H 1 0.453 0.020 . . . . . A 14 ILE HG23 . 25016 1 104 . 1 1 14 14 ILE HD11 H 1 0.450 0.020 . . . . . A 14 ILE HD11 . 25016 1 105 . 1 1 14 14 ILE HD12 H 1 0.450 0.020 . . . . . A 14 ILE HD12 . 25016 1 106 . 1 1 14 14 ILE HD13 H 1 0.450 0.020 . . . . . A 14 ILE HD13 . 25016 1 107 . 1 1 14 14 ILE CA C 13 65.039 0.300 . . . . . A 14 ILE CA . 25016 1 108 . 1 1 14 14 ILE CB C 13 37.456 0.300 . . . . . A 14 ILE CB . 25016 1 109 . 1 1 14 14 ILE CG1 C 13 29.508 0.300 . . . . . A 14 ILE CG1 . 25016 1 110 . 1 1 14 14 ILE CG2 C 13 16.833 0.300 . . . . . A 14 ILE CG2 . 25016 1 111 . 1 1 14 14 ILE CD1 C 13 13.041 0.300 . . . . . A 14 ILE CD1 . 25016 1 112 . 1 1 14 14 ILE N N 15 120.771 0.300 . . . . . A 14 ILE N . 25016 1 113 . 1 1 15 15 TRP H H 1 7.692 0.020 . . . . . A 15 TRP H . 25016 1 114 . 1 1 15 15 TRP HA H 1 3.976 0.020 . . . . . A 15 TRP HA . 25016 1 115 . 1 1 15 15 TRP HB2 H 1 3.146 0.020 . . . . . A 15 TRP HB2 . 25016 1 116 . 1 1 15 15 TRP HB3 H 1 3.146 0.020 . . . . . A 15 TRP HB3 . 25016 1 117 . 1 1 15 15 TRP HD1 H 1 7.016 0.020 . . . . . A 15 TRP HD1 . 25016 1 118 . 1 1 15 15 TRP HE1 H 1 9.907 0.020 . . . . . A 15 TRP HE1 . 25016 1 119 . 1 1 15 15 TRP HE3 H 1 7.335 0.020 . . . . . A 15 TRP HE3 . 25016 1 120 . 1 1 15 15 TRP HH2 H 1 6.936 0.020 . . . . . A 15 TRP HH2 . 25016 1 121 . 1 1 15 15 TRP CA C 13 60.422 0.300 . . . . . A 15 TRP CA . 25016 1 122 . 1 1 15 15 TRP CB C 13 28.405 0.300 . . . . . A 15 TRP CB . 25016 1 123 . 1 1 15 15 TRP CD1 C 13 127.504 0.300 . . . . . A 15 TRP CD1 . 25016 1 124 . 1 1 15 15 TRP CE3 C 13 121.085 0.300 . . . . . A 15 TRP CE3 . 25016 1 125 . 1 1 15 15 TRP CZ2 C 13 114.873 0.300 . . . . . A 15 TRP CZ2 . 25016 1 126 . 1 1 15 15 TRP CZ3 C 13 122.203 0.300 . . . . . A 15 TRP CZ3 . 25016 1 127 . 1 1 15 15 TRP CH2 C 13 124.846 0.300 . . . . . A 15 TRP CH2 . 25016 1 128 . 1 1 15 15 TRP N N 15 120.814 0.300 . . . . . A 15 TRP N . 25016 1 129 . 1 1 15 15 TRP NE1 N 15 129.741 0.300 . . . . . A 15 TRP NE1 . 25016 1 130 . 1 1 16 16 LYS H H 1 7.810 0.020 . . . . . A 16 LYS H . 25016 1 131 . 1 1 16 16 LYS HA H 1 3.464 0.020 . . . . . A 16 LYS HA . 25016 1 132 . 1 1 16 16 LYS HB2 H 1 1.550 0.020 . . . . . A 16 LYS HB2 . 25016 1 133 . 1 1 16 16 LYS HB3 H 1 1.550 0.020 . . . . . A 16 LYS HB3 . 25016 1 134 . 1 1 16 16 LYS HG2 H 1 1.361 0.020 . . . . . A 16 LYS HG2 . 25016 1 135 . 1 1 16 16 LYS HG3 H 1 1.035 0.020 . . . . . A 16 LYS HG3 . 25016 1 136 . 1 1 16 16 LYS HE2 H 1 2.499 0.020 . . . . . A 16 LYS HE2 . 25016 1 137 . 1 1 16 16 LYS HE3 H 1 2.499 0.020 . . . . . A 16 LYS HE3 . 25016 1 138 . 1 1 16 16 LYS CA C 13 59.949 0.300 . . . . . A 16 LYS CA . 25016 1 139 . 1 1 16 16 LYS CB C 13 32.138 0.300 . . . . . A 16 LYS CB . 25016 1 140 . 1 1 16 16 LYS CG C 13 25.288 0.300 . . . . . A 16 LYS CG . 25016 1 141 . 1 1 16 16 LYS N N 15 119.233 0.300 . . . . . A 16 LYS N . 25016 1 142 . 1 1 17 17 ILE H H 1 7.528 0.020 . . . . . A 17 ILE H . 25016 1 143 . 1 1 17 17 ILE HA H 1 3.495 0.020 . . . . . A 17 ILE HA . 25016 1 144 . 1 1 17 17 ILE HB H 1 1.782 0.020 . . . . . A 17 ILE HB . 25016 1 145 . 1 1 17 17 ILE HG12 H 1 1.048 0.020 . . . . . A 17 ILE HG12 . 25016 1 146 . 1 1 17 17 ILE HG13 H 1 1.048 0.020 . . . . . A 17 ILE HG13 . 25016 1 147 . 1 1 17 17 ILE HG21 H 1 0.712 0.020 . . . . . A 17 ILE HG21 . 25016 1 148 . 1 1 17 17 ILE HG22 H 1 0.712 0.020 . . . . . A 17 ILE HG22 . 25016 1 149 . 1 1 17 17 ILE HG23 H 1 0.712 0.020 . . . . . A 17 ILE HG23 . 25016 1 150 . 1 1 17 17 ILE HD11 H 1 0.619 0.020 . . . . . A 17 ILE HD11 . 25016 1 151 . 1 1 17 17 ILE HD12 H 1 0.619 0.020 . . . . . A 17 ILE HD12 . 25016 1 152 . 1 1 17 17 ILE HD13 H 1 0.619 0.020 . . . . . A 17 ILE HD13 . 25016 1 153 . 1 1 17 17 ILE CA C 13 63.315 0.300 . . . . . A 17 ILE CA . 25016 1 154 . 1 1 17 17 ILE CB C 13 36.526 0.300 . . . . . A 17 ILE CB . 25016 1 155 . 1 1 17 17 ILE CG1 C 13 28.709 0.300 . . . . . A 17 ILE CG1 . 25016 1 156 . 1 1 17 17 ILE CG2 C 13 18.426 0.300 . . . . . A 17 ILE CG2 . 25016 1 157 . 1 1 17 17 ILE CD1 C 13 12.144 0.300 . . . . . A 17 ILE CD1 . 25016 1 158 . 1 1 17 17 ILE N N 15 120.810 0.300 . . . . . A 17 ILE N . 25016 1 159 . 1 1 18 18 LYS H H 1 8.197 0.020 . . . . . A 18 LYS H . 25016 1 160 . 1 1 18 18 LYS HA H 1 3.510 0.020 . . . . . A 18 LYS HA . 25016 1 161 . 1 1 18 18 LYS HB2 H 1 1.503 0.020 . . . . . A 18 LYS HB2 . 25016 1 162 . 1 1 18 18 LYS HB3 H 1 1.503 0.020 . . . . . A 18 LYS HB3 . 25016 1 163 . 1 1 18 18 LYS HG2 H 1 1.021 0.020 . . . . . A 18 LYS HG2 . 25016 1 164 . 1 1 18 18 LYS HG3 H 1 1.021 0.020 . . . . . A 18 LYS HG3 . 25016 1 165 . 1 1 18 18 LYS HD2 H 1 1.196 0.020 . . . . . A 18 LYS HD2 . 25016 1 166 . 1 1 18 18 LYS HD3 H 1 1.196 0.020 . . . . . A 18 LYS HD3 . 25016 1 167 . 1 1 18 18 LYS HE2 H 1 2.495 0.020 . . . . . A 18 LYS HE2 . 25016 1 168 . 1 1 18 18 LYS HE3 H 1 2.495 0.020 . . . . . A 18 LYS HE3 . 25016 1 169 . 1 1 18 18 LYS CA C 13 60.846 0.300 . . . . . A 18 LYS CA . 25016 1 170 . 1 1 18 18 LYS CB C 13 32.082 0.300 . . . . . A 18 LYS CB . 25016 1 171 . 1 1 18 18 LYS CG C 13 26.553 0.300 . . . . . A 18 LYS CG . 25016 1 172 . 1 1 18 18 LYS CD C 13 29.340 0.300 . . . . . A 18 LYS CD . 25016 1 173 . 1 1 18 18 LYS CE C 13 41.533 0.300 . . . . . A 18 LYS CE . 25016 1 174 . 1 1 18 18 LYS N N 15 121.692 0.300 . . . . . A 18 LYS N . 25016 1 175 . 1 1 19 19 LYS H H 1 7.588 0.020 . . . . . A 19 LYS H . 25016 1 176 . 1 1 19 19 LYS HA H 1 3.547 0.020 . . . . . A 19 LYS HA . 25016 1 177 . 1 1 19 19 LYS HB2 H 1 1.343 0.020 . . . . . A 19 LYS HB2 . 25016 1 178 . 1 1 19 19 LYS HB3 H 1 1.343 0.020 . . . . . A 19 LYS HB3 . 25016 1 179 . 1 1 19 19 LYS HG2 H 1 0.999 0.020 . . . . . A 19 LYS HG2 . 25016 1 180 . 1 1 19 19 LYS HG3 H 1 0.999 0.020 . . . . . A 19 LYS HG3 . 25016 1 181 . 1 1 19 19 LYS CA C 13 58.945 0.300 . . . . . A 19 LYS CA . 25016 1 182 . 1 1 19 19 LYS CB C 13 31.841 0.300 . . . . . A 19 LYS CB . 25016 1 183 . 1 1 19 19 LYS CG C 13 24.389 0.300 . . . . . A 19 LYS CG . 25016 1 184 . 1 1 19 19 LYS CD C 13 29.063 0.300 . . . . . A 19 LYS CD . 25016 1 185 . 1 1 19 19 LYS N N 15 119.139 0.300 . . . . . A 19 LYS N . 25016 1 186 . 1 1 20 20 LEU H H 1 7.431 0.020 . . . . . A 20 LEU H . 25016 1 187 . 1 1 20 20 LEU HA H 1 3.755 0.020 . . . . . A 20 LEU HA . 25016 1 188 . 1 1 20 20 LEU HB2 H 1 1.501 0.020 . . . . . A 20 LEU HB2 . 25016 1 189 . 1 1 20 20 LEU HB3 H 1 1.286 0.020 . . . . . A 20 LEU HB3 . 25016 1 190 . 1 1 20 20 LEU HG H 1 1.075 0.020 . . . . . A 20 LEU HG . 25016 1 191 . 1 1 20 20 LEU HD11 H 1 0.426 0.020 . . . . . A 20 LEU HD11 . 25016 1 192 . 1 1 20 20 LEU HD12 H 1 0.426 0.020 . . . . . A 20 LEU HD12 . 25016 1 193 . 1 1 20 20 LEU HD13 H 1 0.426 0.020 . . . . . A 20 LEU HD13 . 25016 1 194 . 1 1 20 20 LEU HD21 H 1 0.426 0.020 . . . . . A 20 LEU HD21 . 25016 1 195 . 1 1 20 20 LEU HD22 H 1 0.426 0.020 . . . . . A 20 LEU HD22 . 25016 1 196 . 1 1 20 20 LEU HD23 H 1 0.426 0.020 . . . . . A 20 LEU HD23 . 25016 1 197 . 1 1 20 20 LEU CA C 13 57.673 0.300 . . . . . A 20 LEU CA . 25016 1 198 . 1 1 20 20 LEU CB C 13 41.492 0.300 . . . . . A 20 LEU CB . 25016 1 199 . 1 1 20 20 LEU CG C 13 26.550 0.300 . . . . . A 20 LEU CG . 25016 1 200 . 1 1 20 20 LEU CD1 C 13 23.377 0.300 . . . . . A 20 LEU CD1 . 25016 1 201 . 1 1 20 20 LEU CD2 C 13 25.577 0.300 . . . . . A 20 LEU CD2 . 25016 1 202 . 1 1 20 20 LEU N N 15 122.980 0.300 . . . . . A 20 LEU N . 25016 1 203 . 1 1 21 21 ILE H H 1 8.386 0.020 . . . . . A 21 ILE H . 25016 1 204 . 1 1 21 21 ILE HA H 1 3.042 0.020 . . . . . A 21 ILE HA . 25016 1 205 . 1 1 21 21 ILE HB H 1 1.482 0.020 . . . . . A 21 ILE HB . 25016 1 206 . 1 1 21 21 ILE HG12 H 1 1.556 0.020 . . . . . A 21 ILE HG12 . 25016 1 207 . 1 1 21 21 ILE HG13 H 1 1.556 0.020 . . . . . A 21 ILE HG13 . 25016 1 208 . 1 1 21 21 ILE HG21 H 1 0.565 0.020 . . . . . A 21 ILE HG21 . 25016 1 209 . 1 1 21 21 ILE HG22 H 1 0.565 0.020 . . . . . A 21 ILE HG22 . 25016 1 210 . 1 1 21 21 ILE HG23 H 1 0.565 0.020 . . . . . A 21 ILE HG23 . 25016 1 211 . 1 1 21 21 ILE HD11 H 1 0.522 0.020 . . . . . A 21 ILE HD11 . 25016 1 212 . 1 1 21 21 ILE HD12 H 1 0.522 0.020 . . . . . A 21 ILE HD12 . 25016 1 213 . 1 1 21 21 ILE HD13 H 1 0.522 0.020 . . . . . A 21 ILE HD13 . 25016 1 214 . 1 1 21 21 ILE CA C 13 66.235 0.300 . . . . . A 21 ILE CA . 25016 1 215 . 1 1 21 21 ILE CB C 13 38.085 0.300 . . . . . A 21 ILE CB . 25016 1 216 . 1 1 21 21 ILE CG1 C 13 29.956 0.300 . . . . . A 21 ILE CG1 . 25016 1 217 . 1 1 21 21 ILE CG2 C 13 17.009 0.300 . . . . . A 21 ILE CG2 . 25016 1 218 . 1 1 21 21 ILE CD1 C 13 14.375 0.300 . . . . . A 21 ILE CD1 . 25016 1 219 . 1 1 21 21 ILE N N 15 119.488 0.300 . . . . . A 21 ILE N . 25016 1 220 . 1 1 22 22 LYS H H 1 7.327 0.020 . . . . . A 22 LYS H . 25016 1 221 . 1 1 22 22 LYS HA H 1 3.749 0.020 . . . . . A 22 LYS HA . 25016 1 222 . 1 1 22 22 LYS HB2 H 1 1.574 0.020 . . . . . A 22 LYS HB2 . 25016 1 223 . 1 1 22 22 LYS HB3 H 1 1.574 0.020 . . . . . A 22 LYS HB3 . 25016 1 224 . 1 1 22 22 LYS HG2 H 1 1.209 0.020 . . . . . A 22 LYS HG2 . 25016 1 225 . 1 1 22 22 LYS HG3 H 1 1.209 0.020 . . . . . A 22 LYS HG3 . 25016 1 226 . 1 1 22 22 LYS CA C 13 58.540 0.300 . . . . . A 22 LYS CA . 25016 1 227 . 1 1 22 22 LYS CB C 13 31.845 0.300 . . . . . A 22 LYS CB . 25016 1 228 . 1 1 22 22 LYS CG C 13 25.024 0.300 . . . . . A 22 LYS CG . 25016 1 229 . 1 1 22 22 LYS CE C 13 41.900 0.300 . . . . . A 22 LYS CE . 25016 1 230 . 1 1 22 22 LYS N N 15 117.930 0.300 . . . . . A 22 LYS N . 25016 1 231 . 1 1 23 23 SER H H 1 7.587 0.020 . . . . . A 23 SER H . 25016 1 232 . 1 1 23 23 SER HA H 1 3.950 0.020 . . . . . A 23 SER HA . 25016 1 233 . 1 1 23 23 SER HB2 H 1 3.668 0.020 . . . . . A 23 SER HB2 . 25016 1 234 . 1 1 23 23 SER HB3 H 1 3.668 0.020 . . . . . A 23 SER HB3 . 25016 1 235 . 1 1 23 23 SER CA C 13 61.139 0.300 . . . . . A 23 SER CA . 25016 1 236 . 1 1 23 23 SER CB C 13 61.186 0.300 . . . . . A 23 SER CB . 25016 1 237 . 1 1 23 23 SER N N 15 114.879 0.300 . . . . . A 23 SER N . 25016 1 238 . 1 1 24 24 LEU H H 1 7.969 0.020 . . . . . A 24 LEU H . 25016 1 239 . 1 1 24 24 LEU HA H 1 3.898 0.020 . . . . . A 24 LEU HA . 25016 1 240 . 1 1 24 24 LEU HB2 H 1 1.301 0.020 . . . . . A 24 LEU HB2 . 25016 1 241 . 1 1 24 24 LEU HB3 H 1 1.301 0.020 . . . . . A 24 LEU HB3 . 25016 1 242 . 1 1 24 24 LEU HG H 1 1.281 0.020 . . . . . A 24 LEU HG . 25016 1 243 . 1 1 24 24 LEU HD11 H 1 -0.195 0.020 . . . . . A 24 LEU HD11 . 25016 1 244 . 1 1 24 24 LEU HD12 H 1 -0.195 0.020 . . . . . A 24 LEU HD12 . 25016 1 245 . 1 1 24 24 LEU HD13 H 1 -0.195 0.020 . . . . . A 24 LEU HD13 . 25016 1 246 . 1 1 24 24 LEU HD21 H 1 -0.195 0.020 . . . . . A 24 LEU HD21 . 25016 1 247 . 1 1 24 24 LEU HD22 H 1 -0.195 0.020 . . . . . A 24 LEU HD22 . 25016 1 248 . 1 1 24 24 LEU HD23 H 1 -0.195 0.020 . . . . . A 24 LEU HD23 . 25016 1 249 . 1 1 24 24 LEU CA C 13 56.720 0.300 . . . . . A 24 LEU CA . 25016 1 250 . 1 1 24 24 LEU CB C 13 41.530 0.300 . . . . . A 24 LEU CB . 25016 1 251 . 1 1 24 24 LEU CG C 13 25.670 0.300 . . . . . A 24 LEU CG . 25016 1 252 . 1 1 24 24 LEU CD1 C 13 21.229 0.300 . . . . . A 24 LEU CD1 . 25016 1 253 . 1 1 24 24 LEU CD2 C 13 25.728 0.300 . . . . . A 24 LEU CD2 . 25016 1 254 . 1 1 24 24 LEU N N 15 121.563 0.300 . . . . . A 24 LEU N . 25016 1 255 . 1 1 25 25 GLU H H 1 8.260 0.020 . . . . . A 25 GLU H . 25016 1 256 . 1 1 25 25 GLU HA H 1 3.792 0.020 . . . . . A 25 GLU HA . 25016 1 257 . 1 1 25 25 GLU HB2 H 1 1.797 0.020 . . . . . A 25 GLU HB2 . 25016 1 258 . 1 1 25 25 GLU HB3 H 1 1.797 0.020 . . . . . A 25 GLU HB3 . 25016 1 259 . 1 1 25 25 GLU HG2 H 1 2.058 0.020 . . . . . A 25 GLU HG2 . 25016 1 260 . 1 1 25 25 GLU HG3 H 1 2.058 0.020 . . . . . A 25 GLU HG3 . 25016 1 261 . 1 1 25 25 GLU CA C 13 58.627 0.300 . . . . . A 25 GLU CA . 25016 1 262 . 1 1 25 25 GLU CB C 13 29.339 0.300 . . . . . A 25 GLU CB . 25016 1 263 . 1 1 25 25 GLU CG C 13 36.192 0.300 . . . . . A 25 GLU CG . 25016 1 264 . 1 1 25 25 GLU N N 15 120.029 0.300 . . . . . A 25 GLU N . 25016 1 265 . 1 1 26 26 ALA H H 1 7.161 0.020 . . . . . A 26 ALA H . 25016 1 266 . 1 1 26 26 ALA HA H 1 4.039 0.020 . . . . . A 26 ALA HA . 25016 1 267 . 1 1 26 26 ALA HB1 H 1 1.183 0.020 . . . . . A 26 ALA HB1 . 25016 1 268 . 1 1 26 26 ALA HB2 H 1 1.183 0.020 . . . . . A 26 ALA HB2 . 25016 1 269 . 1 1 26 26 ALA HB3 H 1 1.183 0.020 . . . . . A 26 ALA HB3 . 25016 1 270 . 1 1 26 26 ALA CA C 13 52.001 0.300 . . . . . A 26 ALA CA . 25016 1 271 . 1 1 26 26 ALA CB C 13 19.015 0.300 . . . . . A 26 ALA CB . 25016 1 272 . 1 1 26 26 ALA N N 15 119.109 0.300 . . . . . A 26 ALA N . 25016 1 273 . 1 1 27 27 ALA H H 1 6.768 0.020 . . . . . A 27 ALA H . 25016 1 274 . 1 1 27 27 ALA HA H 1 3.969 0.020 . . . . . A 27 ALA HA . 25016 1 275 . 1 1 27 27 ALA HB1 H 1 1.198 0.020 . . . . . A 27 ALA HB1 . 25016 1 276 . 1 1 27 27 ALA HB2 H 1 1.198 0.020 . . . . . A 27 ALA HB2 . 25016 1 277 . 1 1 27 27 ALA HB3 H 1 1.198 0.020 . . . . . A 27 ALA HB3 . 25016 1 278 . 1 1 27 27 ALA CA C 13 52.464 0.300 . . . . . A 27 ALA CA . 25016 1 279 . 1 1 27 27 ALA CB C 13 19.150 0.300 . . . . . A 27 ALA CB . 25016 1 280 . 1 1 27 27 ALA N N 15 121.342 0.300 . . . . . A 27 ALA N . 25016 1 281 . 1 1 28 28 ARG H H 1 8.604 0.020 . . . . . A 28 ARG H . 25016 1 282 . 1 1 28 28 ARG HA H 1 4.509 0.020 . . . . . A 28 ARG HA . 25016 1 283 . 1 1 28 28 ARG HB2 H 1 1.602 0.020 . . . . . A 28 ARG HB2 . 25016 1 284 . 1 1 28 28 ARG HB3 H 1 1.602 0.020 . . . . . A 28 ARG HB3 . 25016 1 285 . 1 1 28 28 ARG HG2 H 1 1.220 0.020 . . . . . A 28 ARG HG2 . 25016 1 286 . 1 1 28 28 ARG HG3 H 1 1.220 0.020 . . . . . A 28 ARG HG3 . 25016 1 287 . 1 1 28 28 ARG HD2 H 1 3.096 0.020 . . . . . A 28 ARG HD2 . 25016 1 288 . 1 1 28 28 ARG HD3 H 1 2.868 0.020 . . . . . A 28 ARG HD3 . 25016 1 289 . 1 1 28 28 ARG CA C 13 53.961 0.300 . . . . . A 28 ARG CA . 25016 1 290 . 1 1 28 28 ARG CB C 13 33.071 0.300 . . . . . A 28 ARG CB . 25016 1 291 . 1 1 28 28 ARG CG C 13 26.217 0.300 . . . . . A 28 ARG CG . 25016 1 292 . 1 1 28 28 ARG CD C 13 43.067 0.300 . . . . . A 28 ARG CD . 25016 1 293 . 1 1 28 28 ARG N N 15 124.390 0.300 . . . . . A 28 ARG N . 25016 1 294 . 1 1 29 29 GLY H H 1 7.842 0.020 . . . . . A 29 GLY H . 25016 1 295 . 1 1 29 29 GLY HA2 H 1 4.226 0.020 . . . . . A 29 GLY HA2 . 25016 1 296 . 1 1 29 29 GLY HA3 H 1 3.494 0.020 . . . . . A 29 GLY HA3 . 25016 1 297 . 1 1 29 29 GLY CA C 13 44.430 0.300 . . . . . A 29 GLY CA . 25016 1 298 . 1 1 29 29 GLY N N 15 109.371 0.300 . . . . . A 29 GLY N . 25016 1 299 . 1 1 30 30 ASN H H 1 8.372 0.020 . . . . . A 30 ASN H . 25016 1 300 . 1 1 30 30 ASN HA H 1 4.562 0.020 . . . . . A 30 ASN HA . 25016 1 301 . 1 1 30 30 ASN HB2 H 1 2.361 0.020 . . . . . A 30 ASN HB2 . 25016 1 302 . 1 1 30 30 ASN HB3 H 1 2.361 0.020 . . . . . A 30 ASN HB3 . 25016 1 303 . 1 1 30 30 ASN HD21 H 1 7.374 0.020 . . . . . A 30 ASN HD21 . 25016 1 304 . 1 1 30 30 ASN HD22 H 1 6.591 0.020 . . . . . A 30 ASN HD22 . 25016 1 305 . 1 1 30 30 ASN CA C 13 51.547 0.300 . . . . . A 30 ASN CA . 25016 1 306 . 1 1 30 30 ASN CB C 13 38.087 0.300 . . . . . A 30 ASN CB . 25016 1 307 . 1 1 30 30 ASN N N 15 119.611 0.300 . . . . . A 30 ASN N . 25016 1 308 . 1 1 30 30 ASN ND2 N 15 113.181 0.300 . . . . . A 30 ASN ND2 . 25016 1 309 . 1 1 31 31 GLY H H 1 8.152 0.020 . . . . . A 31 GLY H . 25016 1 310 . 1 1 31 31 GLY HA2 H 1 3.732 0.020 . . . . . A 31 GLY HA2 . 25016 1 311 . 1 1 31 31 GLY HA3 H 1 3.536 0.020 . . . . . A 31 GLY HA3 . 25016 1 312 . 1 1 31 31 GLY CA C 13 45.043 0.300 . . . . . A 31 GLY CA . 25016 1 313 . 1 1 31 31 GLY N N 15 111.406 0.300 . . . . . A 31 GLY N . 25016 1 314 . 1 1 32 32 THR H H 1 7.944 0.020 . . . . . A 32 THR H . 25016 1 315 . 1 1 32 32 THR HA H 1 4.563 0.020 . . . . . A 32 THR HA . 25016 1 316 . 1 1 32 32 THR HB H 1 3.722 0.020 . . . . . A 32 THR HB . 25016 1 317 . 1 1 32 32 THR HG21 H 1 0.842 0.020 . . . . . A 32 THR HG21 . 25016 1 318 . 1 1 32 32 THR HG22 H 1 0.842 0.020 . . . . . A 32 THR HG22 . 25016 1 319 . 1 1 32 32 THR HG23 H 1 0.842 0.020 . . . . . A 32 THR HG23 . 25016 1 320 . 1 1 32 32 THR CA C 13 59.419 0.300 . . . . . A 32 THR CA . 25016 1 321 . 1 1 32 32 THR CG2 C 13 21.509 0.300 . . . . . A 32 THR CG2 . 25016 1 322 . 1 1 32 32 THR N N 15 114.703 0.300 . . . . . A 32 THR N . 25016 1 323 . 1 1 33 33 SER H H 1 7.428 0.020 . . . . . A 33 SER H . 25016 1 324 . 1 1 33 33 SER HA H 1 4.077 0.020 . . . . . A 33 SER HA . 25016 1 325 . 1 1 33 33 SER HB2 H 1 3.741 0.020 . . . . . A 33 SER HB2 . 25016 1 326 . 1 1 33 33 SER HB3 H 1 3.351 0.020 . . . . . A 33 SER HB3 . 25016 1 327 . 1 1 33 33 SER CA C 13 57.392 0.300 . . . . . A 33 SER CA . 25016 1 328 . 1 1 33 33 SER CB C 13 64.394 0.300 . . . . . A 33 SER CB . 25016 1 329 . 1 1 33 33 SER N N 15 114.110 0.300 . . . . . A 33 SER N . 25016 1 330 . 1 1 34 34 MET H H 1 8.422 0.020 . . . . . A 34 MET H . 25016 1 331 . 1 1 34 34 MET HA H 1 4.604 0.020 . . . . . A 34 MET HA . 25016 1 332 . 1 1 34 34 MET HB2 H 1 1.223 0.020 . . . . . A 34 MET HB2 . 25016 1 333 . 1 1 34 34 MET HB3 H 1 0.880 0.020 . . . . . A 34 MET HB3 . 25016 1 334 . 1 1 34 34 MET HG2 H 1 1.542 0.020 . . . . . A 34 MET HG2 . 25016 1 335 . 1 1 34 34 MET HG3 H 1 1.542 0.020 . . . . . A 34 MET HG3 . 25016 1 336 . 1 1 34 34 MET HE1 H 1 0.657 0.020 . . . . . A 34 MET HE1 . 25016 1 337 . 1 1 34 34 MET HE2 H 1 0.657 0.020 . . . . . A 34 MET HE2 . 25016 1 338 . 1 1 34 34 MET HE3 H 1 0.657 0.020 . . . . . A 34 MET HE3 . 25016 1 339 . 1 1 34 34 MET CA C 13 54.772 0.300 . . . . . A 34 MET CA . 25016 1 340 . 1 1 34 34 MET CB C 13 34.339 0.300 . . . . . A 34 MET CB . 25016 1 341 . 1 1 34 34 MET CG C 13 31.148 0.300 . . . . . A 34 MET CG . 25016 1 342 . 1 1 34 34 MET CE C 13 17.441 0.300 . . . . . A 34 MET CE . 25016 1 343 . 1 1 34 34 MET N N 15 121.106 0.300 . . . . . A 34 MET N . 25016 1 344 . 1 1 35 35 ILE H H 1 9.499 0.020 . . . . . A 35 ILE H . 25016 1 345 . 1 1 35 35 ILE HA H 1 4.832 0.020 . . . . . A 35 ILE HA . 25016 1 346 . 1 1 35 35 ILE HB H 1 1.759 0.020 . . . . . A 35 ILE HB . 25016 1 347 . 1 1 35 35 ILE HG12 H 1 1.425 0.020 . . . . . A 35 ILE HG12 . 25016 1 348 . 1 1 35 35 ILE HG13 H 1 0.877 0.020 . . . . . A 35 ILE HG13 . 25016 1 349 . 1 1 35 35 ILE HG21 H 1 0.659 0.020 . . . . . A 35 ILE HG21 . 25016 1 350 . 1 1 35 35 ILE HG22 H 1 0.659 0.020 . . . . . A 35 ILE HG22 . 25016 1 351 . 1 1 35 35 ILE HG23 H 1 0.659 0.020 . . . . . A 35 ILE HG23 . 25016 1 352 . 1 1 35 35 ILE HD11 H 1 0.686 0.020 . . . . . A 35 ILE HD11 . 25016 1 353 . 1 1 35 35 ILE HD12 H 1 0.686 0.020 . . . . . A 35 ILE HD12 . 25016 1 354 . 1 1 35 35 ILE HD13 H 1 0.686 0.020 . . . . . A 35 ILE HD13 . 25016 1 355 . 1 1 35 35 ILE CA C 13 60.511 0.300 . . . . . A 35 ILE CA . 25016 1 356 . 1 1 35 35 ILE CB C 13 39.958 0.300 . . . . . A 35 ILE CB . 25016 1 357 . 1 1 35 35 ILE CG1 C 13 28.390 0.300 . . . . . A 35 ILE CG1 . 25016 1 358 . 1 1 35 35 ILE CG2 C 13 17.765 0.300 . . . . . A 35 ILE CG2 . 25016 1 359 . 1 1 35 35 ILE CD1 C 13 13.709 0.300 . . . . . A 35 ILE CD1 . 25016 1 360 . 1 1 35 35 ILE N N 15 127.124 0.300 . . . . . A 35 ILE N . 25016 1 361 . 1 1 36 36 SER H H 1 8.340 0.020 . . . . . A 36 SER H . 25016 1 362 . 1 1 36 36 SER HA H 1 4.902 0.020 . . . . . A 36 SER HA . 25016 1 363 . 1 1 36 36 SER HB2 H 1 3.693 0.020 . . . . . A 36 SER HB2 . 25016 1 364 . 1 1 36 36 SER HB3 H 1 3.693 0.020 . . . . . A 36 SER HB3 . 25016 1 365 . 1 1 36 36 SER CA C 13 57.054 0.300 . . . . . A 36 SER CA . 25016 1 366 . 1 1 36 36 SER CB C 13 63.000 0.300 . . . . . A 36 SER CB . 25016 1 367 . 1 1 36 36 SER N N 15 122.391 0.300 . . . . . A 36 SER N . 25016 1 368 . 1 1 37 37 LEU H H 1 8.649 0.020 . . . . . A 37 LEU H . 25016 1 369 . 1 1 37 37 LEU HA H 1 5.143 0.020 . . . . . A 37 LEU HA . 25016 1 370 . 1 1 37 37 LEU HB2 H 1 1.634 0.020 . . . . . A 37 LEU HB2 . 25016 1 371 . 1 1 37 37 LEU HB3 H 1 0.964 0.020 . . . . . A 37 LEU HB3 . 25016 1 372 . 1 1 37 37 LEU HG H 1 1.117 0.020 . . . . . A 37 LEU HG . 25016 1 373 . 1 1 37 37 LEU HD11 H 1 0.682 0.020 . . . . . A 37 LEU HD11 . 25016 1 374 . 1 1 37 37 LEU HD12 H 1 0.682 0.020 . . . . . A 37 LEU HD12 . 25016 1 375 . 1 1 37 37 LEU HD13 H 1 0.682 0.020 . . . . . A 37 LEU HD13 . 25016 1 376 . 1 1 37 37 LEU HD21 H 1 0.438 0.020 . . . . . A 37 LEU HD21 . 25016 1 377 . 1 1 37 37 LEU HD22 H 1 0.438 0.020 . . . . . A 37 LEU HD22 . 25016 1 378 . 1 1 37 37 LEU HD23 H 1 0.438 0.020 . . . . . A 37 LEU HD23 . 25016 1 379 . 1 1 37 37 LEU CA C 13 53.165 0.300 . . . . . A 37 LEU CA . 25016 1 380 . 1 1 37 37 LEU CB C 13 45.207 0.300 . . . . . A 37 LEU CB . 25016 1 381 . 1 1 37 37 LEU CG C 13 27.218 0.300 . . . . . A 37 LEU CG . 25016 1 382 . 1 1 37 37 LEU CD1 C 13 24.000 0.300 . . . . . A 37 LEU CD1 . 25016 1 383 . 1 1 37 37 LEU CD2 C 13 27.142 0.300 . . . . . A 37 LEU CD2 . 25016 1 384 . 1 1 37 37 LEU N N 15 128.668 0.300 . . . . . A 37 LEU N . 25016 1 385 . 1 1 38 38 ILE H H 1 9.052 0.020 . . . . . A 38 ILE H . 25016 1 386 . 1 1 38 38 ILE HA H 1 4.377 0.020 . . . . . A 38 ILE HA . 25016 1 387 . 1 1 38 38 ILE HB H 1 1.356 0.020 . . . . . A 38 ILE HB . 25016 1 388 . 1 1 38 38 ILE HG12 H 1 1.157 0.020 . . . . . A 38 ILE HG12 . 25016 1 389 . 1 1 38 38 ILE HG13 H 1 1.157 0.020 . . . . . A 38 ILE HG13 . 25016 1 390 . 1 1 38 38 ILE HG21 H 1 0.423 0.020 . . . . . A 38 ILE HG21 . 25016 1 391 . 1 1 38 38 ILE HG22 H 1 0.423 0.020 . . . . . A 38 ILE HG22 . 25016 1 392 . 1 1 38 38 ILE HG23 H 1 0.423 0.020 . . . . . A 38 ILE HG23 . 25016 1 393 . 1 1 38 38 ILE HD11 H 1 0.476 0.020 . . . . . A 38 ILE HD11 . 25016 1 394 . 1 1 38 38 ILE HD12 H 1 0.476 0.020 . . . . . A 38 ILE HD12 . 25016 1 395 . 1 1 38 38 ILE HD13 H 1 0.476 0.020 . . . . . A 38 ILE HD13 . 25016 1 396 . 1 1 38 38 ILE CA C 13 60.460 0.300 . . . . . A 38 ILE CA . 25016 1 397 . 1 1 38 38 ILE CB C 13 39.645 0.300 . . . . . A 38 ILE CB . 25016 1 398 . 1 1 38 38 ILE CG1 C 13 27.233 0.300 . . . . . A 38 ILE CG1 . 25016 1 399 . 1 1 38 38 ILE CG2 C 13 17.545 0.300 . . . . . A 38 ILE CG2 . 25016 1 400 . 1 1 38 38 ILE CD1 C 13 13.064 0.300 . . . . . A 38 ILE CD1 . 25016 1 401 . 1 1 38 38 ILE N N 15 126.600 0.300 . . . . . A 38 ILE N . 25016 1 402 . 1 1 39 39 ILE H H 1 9.016 0.020 . . . . . A 39 ILE H . 25016 1 403 . 1 1 39 39 ILE HA H 1 4.069 0.020 . . . . . A 39 ILE HA . 25016 1 404 . 1 1 39 39 ILE HB H 1 1.510 0.020 . . . . . A 39 ILE HB . 25016 1 405 . 1 1 39 39 ILE HG12 H 1 1.135 0.020 . . . . . A 39 ILE HG12 . 25016 1 406 . 1 1 39 39 ILE HG13 H 1 1.135 0.020 . . . . . A 39 ILE HG13 . 25016 1 407 . 1 1 39 39 ILE HG21 H 1 0.650 0.020 . . . . . A 39 ILE HG21 . 25016 1 408 . 1 1 39 39 ILE HG22 H 1 0.650 0.020 . . . . . A 39 ILE HG22 . 25016 1 409 . 1 1 39 39 ILE HG23 H 1 0.650 0.020 . . . . . A 39 ILE HG23 . 25016 1 410 . 1 1 39 39 ILE HD11 H 1 0.445 0.020 . . . . . A 39 ILE HD11 . 25016 1 411 . 1 1 39 39 ILE HD12 H 1 0.445 0.020 . . . . . A 39 ILE HD12 . 25016 1 412 . 1 1 39 39 ILE HD13 H 1 0.445 0.020 . . . . . A 39 ILE HD13 . 25016 1 413 . 1 1 39 39 ILE CA C 13 57.415 0.300 . . . . . A 39 ILE CA . 25016 1 414 . 1 1 39 39 ILE CB C 13 40.250 0.300 . . . . . A 39 ILE CB . 25016 1 415 . 1 1 39 39 ILE CG1 C 13 25.759 0.300 . . . . . A 39 ILE CG1 . 25016 1 416 . 1 1 39 39 ILE CG2 C 13 18.037 0.300 . . . . . A 39 ILE CG2 . 25016 1 417 . 1 1 39 39 ILE CD1 C 13 14.622 0.300 . . . . . A 39 ILE CD1 . 25016 1 418 . 1 1 39 39 ILE N N 15 129.811 0.300 . . . . . A 39 ILE N . 25016 1 419 . 1 1 40 40 PRO HA H 1 4.656 0.020 . . . . . A 40 PRO HA . 25016 1 420 . 1 1 40 40 PRO HB2 H 1 1.849 0.020 . . . . . A 40 PRO HB2 . 25016 1 421 . 1 1 40 40 PRO HB3 H 1 1.849 0.020 . . . . . A 40 PRO HB3 . 25016 1 422 . 1 1 40 40 PRO HD2 H 1 3.413 0.020 . . . . . A 40 PRO HD2 . 25016 1 423 . 1 1 40 40 PRO HD3 H 1 3.413 0.020 . . . . . A 40 PRO HD3 . 25016 1 424 . 1 1 40 40 PRO CB C 13 30.862 0.300 . . . . . A 40 PRO CB . 25016 1 425 . 1 1 40 40 PRO CG C 13 27.675 0.300 . . . . . A 40 PRO CG . 25016 1 426 . 1 1 41 41 PRO HA H 1 4.565 0.020 . . . . . A 41 PRO HA . 25016 1 427 . 1 1 41 41 PRO HB2 H 1 2.226 0.020 . . . . . A 41 PRO HB2 . 25016 1 428 . 1 1 41 41 PRO HB3 H 1 2.226 0.020 . . . . . A 41 PRO HB3 . 25016 1 429 . 1 1 41 41 PRO HG2 H 1 1.520 0.020 . . . . . A 41 PRO HG2 . 25016 1 430 . 1 1 41 41 PRO HG3 H 1 1.520 0.020 . . . . . A 41 PRO HG3 . 25016 1 431 . 1 1 41 41 PRO HD2 H 1 3.718 0.020 . . . . . A 41 PRO HD2 . 25016 1 432 . 1 1 41 41 PRO HD3 H 1 3.718 0.020 . . . . . A 41 PRO HD3 . 25016 1 433 . 1 1 41 41 PRO CA C 13 64.090 0.300 . . . . . A 41 PRO CA . 25016 1 434 . 1 1 41 41 PRO CB C 13 32.143 0.300 . . . . . A 41 PRO CB . 25016 1 435 . 1 1 41 41 PRO CG C 13 27.485 0.300 . . . . . A 41 PRO CG . 25016 1 436 . 1 1 42 42 LYS H H 1 7.948 0.020 . . . . . A 42 LYS H . 25016 1 437 . 1 1 42 42 LYS HA H 1 3.799 0.020 . . . . . A 42 LYS HA . 25016 1 438 . 1 1 42 42 LYS HB2 H 1 1.682 0.020 . . . . . A 42 LYS HB2 . 25016 1 439 . 1 1 42 42 LYS HB3 H 1 1.682 0.020 . . . . . A 42 LYS HB3 . 25016 1 440 . 1 1 42 42 LYS HG2 H 1 1.076 0.020 . . . . . A 42 LYS HG2 . 25016 1 441 . 1 1 42 42 LYS HG3 H 1 1.076 0.020 . . . . . A 42 LYS HG3 . 25016 1 442 . 1 1 42 42 LYS HD2 H 1 1.498 0.020 . . . . . A 42 LYS HD2 . 25016 1 443 . 1 1 42 42 LYS HD3 H 1 1.498 0.020 . . . . . A 42 LYS HD3 . 25016 1 444 . 1 1 42 42 LYS CA C 13 56.833 0.300 . . . . . A 42 LYS CA . 25016 1 445 . 1 1 42 42 LYS CB C 13 30.174 0.300 . . . . . A 42 LYS CB . 25016 1 446 . 1 1 42 42 LYS CG C 13 24.988 0.300 . . . . . A 42 LYS CG . 25016 1 447 . 1 1 42 42 LYS CD C 13 28.782 0.300 . . . . . A 42 LYS CD . 25016 1 448 . 1 1 42 42 LYS N N 15 113.384 0.300 . . . . . A 42 LYS N . 25016 1 449 . 1 1 43 43 ASP H H 1 7.203 0.020 . . . . . A 43 ASP H . 25016 1 450 . 1 1 43 43 ASP HA H 1 4.394 0.020 . . . . . A 43 ASP HA . 25016 1 451 . 1 1 43 43 ASP HB2 H 1 2.312 0.020 . . . . . A 43 ASP HB2 . 25016 1 452 . 1 1 43 43 ASP HB3 H 1 2.312 0.020 . . . . . A 43 ASP HB3 . 25016 1 453 . 1 1 43 43 ASP CA C 13 52.607 0.300 . . . . . A 43 ASP CA . 25016 1 454 . 1 1 43 43 ASP CB C 13 42.112 0.300 . . . . . A 43 ASP CB . 25016 1 455 . 1 1 43 43 ASP N N 15 121.450 0.300 . . . . . A 43 ASP N . 25016 1 456 . 1 1 44 44 GLN H H 1 9.166 0.020 . . . . . A 44 GLN H . 25016 1 457 . 1 1 44 44 GLN HA H 1 4.404 0.020 . . . . . A 44 GLN HA . 25016 1 458 . 1 1 44 44 GLN HB2 H 1 1.958 0.020 . . . . . A 44 GLN HB2 . 25016 1 459 . 1 1 44 44 GLN HB3 H 1 1.598 0.020 . . . . . A 44 GLN HB3 . 25016 1 460 . 1 1 44 44 GLN HG2 H 1 2.199 0.020 . . . . . A 44 GLN HG2 . 25016 1 461 . 1 1 44 44 GLN HG3 H 1 2.199 0.020 . . . . . A 44 GLN HG3 . 25016 1 462 . 1 1 44 44 GLN HE21 H 1 7.227 0.020 . . . . . A 44 GLN HE21 . 25016 1 463 . 1 1 44 44 GLN HE22 H 1 6.576 0.020 . . . . . A 44 GLN HE22 . 25016 1 464 . 1 1 44 44 GLN CA C 13 53.874 0.300 . . . . . A 44 GLN CA . 25016 1 465 . 1 1 44 44 GLN CB C 13 31.503 0.300 . . . . . A 44 GLN CB . 25016 1 466 . 1 1 44 44 GLN CG C 13 33.388 0.300 . . . . . A 44 GLN CG . 25016 1 467 . 1 1 44 44 GLN N N 15 117.608 0.300 . . . . . A 44 GLN N . 25016 1 468 . 1 1 44 44 GLN NE2 N 15 113.366 0.300 . . . . . A 44 GLN NE2 . 25016 1 469 . 1 1 45 45 ILE H H 1 8.694 0.020 . . . . . A 45 ILE H . 25016 1 470 . 1 1 45 45 ILE HA H 1 3.249 0.020 . . . . . A 45 ILE HA . 25016 1 471 . 1 1 45 45 ILE HB H 1 1.597 0.020 . . . . . A 45 ILE HB . 25016 1 472 . 1 1 45 45 ILE HG12 H 1 1.054 0.020 . . . . . A 45 ILE HG12 . 25016 1 473 . 1 1 45 45 ILE HG13 H 1 1.054 0.020 . . . . . A 45 ILE HG13 . 25016 1 474 . 1 1 45 45 ILE HG21 H 1 0.616 0.020 . . . . . A 45 ILE HG21 . 25016 1 475 . 1 1 45 45 ILE HG22 H 1 0.616 0.020 . . . . . A 45 ILE HG22 . 25016 1 476 . 1 1 45 45 ILE HG23 H 1 0.616 0.020 . . . . . A 45 ILE HG23 . 25016 1 477 . 1 1 45 45 ILE HD11 H 1 0.312 0.020 . . . . . A 45 ILE HD11 . 25016 1 478 . 1 1 45 45 ILE HD12 H 1 0.312 0.020 . . . . . A 45 ILE HD12 . 25016 1 479 . 1 1 45 45 ILE HD13 H 1 0.312 0.020 . . . . . A 45 ILE HD13 . 25016 1 480 . 1 1 45 45 ILE CA C 13 63.257 0.300 . . . . . A 45 ILE CA . 25016 1 481 . 1 1 45 45 ILE CB C 13 36.128 0.300 . . . . . A 45 ILE CB . 25016 1 482 . 1 1 45 45 ILE CG1 C 13 27.473 0.300 . . . . . A 45 ILE CG1 . 25016 1 483 . 1 1 45 45 ILE CG2 C 13 16.832 0.300 . . . . . A 45 ILE CG2 . 25016 1 484 . 1 1 45 45 ILE CD1 C 13 10.833 0.300 . . . . . A 45 ILE CD1 . 25016 1 485 . 1 1 45 45 ILE N N 15 127.101 0.300 . . . . . A 45 ILE N . 25016 1 486 . 1 1 46 46 SER H H 1 8.384 0.020 . . . . . A 46 SER H . 25016 1 487 . 1 1 46 46 SER HA H 1 3.850 0.020 . . . . . A 46 SER HA . 25016 1 488 . 1 1 46 46 SER HB2 H 1 3.621 0.020 . . . . . A 46 SER HB2 . 25016 1 489 . 1 1 46 46 SER HB3 H 1 3.621 0.020 . . . . . A 46 SER HB3 . 25016 1 490 . 1 1 46 46 SER CA C 13 60.677 0.300 . . . . . A 46 SER CA . 25016 1 491 . 1 1 46 46 SER CB C 13 61.589 0.300 . . . . . A 46 SER CB . 25016 1 492 . 1 1 46 46 SER N N 15 113.880 0.300 . . . . . A 46 SER N . 25016 1 493 . 1 1 47 47 ARG H H 1 6.730 0.020 . . . . . A 47 ARG H . 25016 1 494 . 1 1 47 47 ARG HA H 1 3.793 0.020 . . . . . A 47 ARG HA . 25016 1 495 . 1 1 47 47 ARG HB2 H 1 1.859 0.020 . . . . . A 47 ARG HB2 . 25016 1 496 . 1 1 47 47 ARG HB3 H 1 1.701 0.020 . . . . . A 47 ARG HB3 . 25016 1 497 . 1 1 47 47 ARG HG2 H 1 1.514 0.020 . . . . . A 47 ARG HG2 . 25016 1 498 . 1 1 47 47 ARG HG3 H 1 1.514 0.020 . . . . . A 47 ARG HG3 . 25016 1 499 . 1 1 47 47 ARG HD2 H 1 3.168 0.020 . . . . . A 47 ARG HD2 . 25016 1 500 . 1 1 47 47 ARG CA C 13 59.815 0.300 . . . . . A 47 ARG CA . 25016 1 501 . 1 1 47 47 ARG CB C 13 29.957 0.300 . . . . . A 47 ARG CB . 25016 1 502 . 1 1 47 47 ARG CG C 13 26.707 0.300 . . . . . A 47 ARG CG . 25016 1 503 . 1 1 47 47 ARG N N 15 124.819 0.300 . . . . . A 47 ARG N . 25016 1 504 . 1 1 48 48 VAL H H 1 7.216 0.020 . . . . . A 48 VAL H . 25016 1 505 . 1 1 48 48 VAL HA H 1 3.194 0.020 . . . . . A 48 VAL HA . 25016 1 506 . 1 1 48 48 VAL HB H 1 1.794 0.020 . . . . . A 48 VAL HB . 25016 1 507 . 1 1 48 48 VAL HG11 H 1 0.683 0.020 . . . . . A 48 VAL HG11 . 25016 1 508 . 1 1 48 48 VAL HG12 H 1 0.683 0.020 . . . . . A 48 VAL HG12 . 25016 1 509 . 1 1 48 48 VAL HG13 H 1 0.683 0.020 . . . . . A 48 VAL HG13 . 25016 1 510 . 1 1 48 48 VAL HG21 H 1 0.572 0.020 . . . . . A 48 VAL HG21 . 25016 1 511 . 1 1 48 48 VAL HG22 H 1 0.572 0.020 . . . . . A 48 VAL HG22 . 25016 1 512 . 1 1 48 48 VAL HG23 H 1 0.572 0.020 . . . . . A 48 VAL HG23 . 25016 1 513 . 1 1 48 48 VAL CA C 13 66.030 0.300 . . . . . A 48 VAL CA . 25016 1 514 . 1 1 48 48 VAL CB C 13 31.486 0.300 . . . . . A 48 VAL CB . 25016 1 515 . 1 1 48 48 VAL CG1 C 13 21.829 0.300 . . . . . A 48 VAL CG1 . 25016 1 516 . 1 1 48 48 VAL CG2 C 13 22.188 0.300 . . . . . A 48 VAL CG2 . 25016 1 517 . 1 1 48 48 VAL N N 15 121.944 0.300 . . . . . A 48 VAL N . 25016 1 518 . 1 1 49 49 ALA H H 1 8.665 0.020 . . . . . A 49 ALA H . 25016 1 519 . 1 1 49 49 ALA HA H 1 3.722 0.020 . . . . . A 49 ALA HA . 25016 1 520 . 1 1 49 49 ALA HB1 H 1 1.129 0.020 . . . . . A 49 ALA HB1 . 25016 1 521 . 1 1 49 49 ALA HB2 H 1 1.129 0.020 . . . . . A 49 ALA HB2 . 25016 1 522 . 1 1 49 49 ALA HB3 H 1 1.129 0.020 . . . . . A 49 ALA HB3 . 25016 1 523 . 1 1 49 49 ALA CA C 13 55.160 0.300 . . . . . A 49 ALA CA . 25016 1 524 . 1 1 49 49 ALA CB C 13 17.744 0.300 . . . . . A 49 ALA CB . 25016 1 525 . 1 1 49 49 ALA N N 15 121.910 0.300 . . . . . A 49 ALA N . 25016 1 526 . 1 1 50 50 LYS H H 1 7.264 0.020 . . . . . A 50 LYS H . 25016 1 527 . 1 1 50 50 LYS HA H 1 3.826 0.020 . . . . . A 50 LYS HA . 25016 1 528 . 1 1 50 50 LYS HB2 H 1 1.685 0.020 . . . . . A 50 LYS HB2 . 25016 1 529 . 1 1 50 50 LYS HB3 H 1 1.685 0.020 . . . . . A 50 LYS HB3 . 25016 1 530 . 1 1 50 50 LYS HG2 H 1 1.164 0.020 . . . . . A 50 LYS HG2 . 25016 1 531 . 1 1 50 50 LYS HG3 H 1 1.164 0.020 . . . . . A 50 LYS HG3 . 25016 1 532 . 1 1 50 50 LYS HD2 H 1 1.296 0.020 . . . . . A 50 LYS HD2 . 25016 1 533 . 1 1 50 50 LYS HD3 H 1 1.296 0.020 . . . . . A 50 LYS HD3 . 25016 1 534 . 1 1 50 50 LYS CA C 13 58.772 0.300 . . . . . A 50 LYS CA . 25016 1 535 . 1 1 50 50 LYS CB C 13 31.811 0.300 . . . . . A 50 LYS CB . 25016 1 536 . 1 1 50 50 LYS CG C 13 24.654 0.300 . . . . . A 50 LYS CG . 25016 1 537 . 1 1 50 50 LYS CD C 13 28.587 0.300 . . . . . A 50 LYS CD . 25016 1 538 . 1 1 50 50 LYS N N 15 120.530 0.300 . . . . . A 50 LYS N . 25016 1 539 . 1 1 51 51 MET H H 1 7.563 0.020 . . . . . A 51 MET H . 25016 1 540 . 1 1 51 51 MET HA H 1 3.879 0.020 . . . . . A 51 MET HA . 25016 1 541 . 1 1 51 51 MET HB2 H 1 2.049 0.020 . . . . . A 51 MET HB2 . 25016 1 542 . 1 1 51 51 MET HB3 H 1 1.755 0.020 . . . . . A 51 MET HB3 . 25016 1 543 . 1 1 51 51 MET HG2 H 1 2.429 0.020 . . . . . A 51 MET HG2 . 25016 1 544 . 1 1 51 51 MET HG3 H 1 2.429 0.020 . . . . . A 51 MET HG3 . 25016 1 545 . 1 1 51 51 MET HE1 H 1 1.409 0.020 . . . . . A 51 MET HE1 . 25016 1 546 . 1 1 51 51 MET HE2 H 1 1.409 0.020 . . . . . A 51 MET HE2 . 25016 1 547 . 1 1 51 51 MET HE3 H 1 1.409 0.020 . . . . . A 51 MET HE3 . 25016 1 548 . 1 1 51 51 MET CA C 13 58.861 0.300 . . . . . A 51 MET CA . 25016 1 549 . 1 1 51 51 MET CB C 13 30.581 0.300 . . . . . A 51 MET CB . 25016 1 550 . 1 1 51 51 MET CG C 13 30.907 0.300 . . . . . A 51 MET CG . 25016 1 551 . 1 1 51 51 MET CE C 13 15.892 0.300 . . . . . A 51 MET CE . 25016 1 552 . 1 1 51 51 MET N N 15 121.484 0.300 . . . . . A 51 MET N . 25016 1 553 . 1 1 52 52 LEU H H 1 8.043 0.020 . . . . . A 52 LEU H . 25016 1 554 . 1 1 52 52 LEU HA H 1 3.529 0.020 . . . . . A 52 LEU HA . 25016 1 555 . 1 1 52 52 LEU HB2 H 1 1.725 0.020 . . . . . A 52 LEU HB2 . 25016 1 556 . 1 1 52 52 LEU HB3 H 1 0.947 0.020 . . . . . A 52 LEU HB3 . 25016 1 557 . 1 1 52 52 LEU HG H 1 1.402 0.020 . . . . . A 52 LEU HG . 25016 1 558 . 1 1 52 52 LEU HD11 H 1 0.375 0.020 . . . . . A 52 LEU HD11 . 25016 1 559 . 1 1 52 52 LEU HD12 H 1 0.375 0.020 . . . . . A 52 LEU HD12 . 25016 1 560 . 1 1 52 52 LEU HD13 H 1 0.375 0.020 . . . . . A 52 LEU HD13 . 25016 1 561 . 1 1 52 52 LEU HD21 H 1 0.375 0.020 . . . . . A 52 LEU HD21 . 25016 1 562 . 1 1 52 52 LEU HD22 H 1 0.375 0.020 . . . . . A 52 LEU HD22 . 25016 1 563 . 1 1 52 52 LEU HD23 H 1 0.375 0.020 . . . . . A 52 LEU HD23 . 25016 1 564 . 1 1 52 52 LEU CA C 13 57.345 0.300 . . . . . A 52 LEU CA . 25016 1 565 . 1 1 52 52 LEU CB C 13 41.516 0.300 . . . . . A 52 LEU CB . 25016 1 566 . 1 1 52 52 LEU CG C 13 26.529 0.300 . . . . . A 52 LEU CG . 25016 1 567 . 1 1 52 52 LEU CD1 C 13 27.454 0.300 . . . . . A 52 LEU CD1 . 25016 1 568 . 1 1 52 52 LEU CD2 C 13 22.581 0.300 . . . . . A 52 LEU CD2 . 25016 1 569 . 1 1 52 52 LEU N N 15 120.082 0.300 . . . . . A 52 LEU N . 25016 1 570 . 1 1 53 53 ALA H H 1 7.631 0.020 . . . . . A 53 ALA H . 25016 1 571 . 1 1 53 53 ALA HA H 1 3.852 0.020 . . . . . A 53 ALA HA . 25016 1 572 . 1 1 53 53 ALA HB1 H 1 1.203 0.020 . . . . . A 53 ALA HB1 . 25016 1 573 . 1 1 53 53 ALA HB2 H 1 1.203 0.020 . . . . . A 53 ALA HB2 . 25016 1 574 . 1 1 53 53 ALA HB3 H 1 1.203 0.020 . . . . . A 53 ALA HB3 . 25016 1 575 . 1 1 53 53 ALA CA C 13 54.786 0.300 . . . . . A 53 ALA CA . 25016 1 576 . 1 1 53 53 ALA CB C 13 17.489 0.300 . . . . . A 53 ALA CB . 25016 1 577 . 1 1 53 53 ALA N N 15 122.982 0.300 . . . . . A 53 ALA N . 25016 1 578 . 1 1 54 54 ASP H H 1 8.380 0.020 . . . . . A 54 ASP H . 25016 1 579 . 1 1 54 54 ASP HA H 1 4.235 0.020 . . . . . A 54 ASP HA . 25016 1 580 . 1 1 54 54 ASP HB2 H 1 2.676 0.020 . . . . . A 54 ASP HB2 . 25016 1 581 . 1 1 54 54 ASP HB3 H 1 2.488 0.020 . . . . . A 54 ASP HB3 . 25016 1 582 . 1 1 54 54 ASP CA C 13 57.085 0.300 . . . . . A 54 ASP CA . 25016 1 583 . 1 1 54 54 ASP CB C 13 39.296 0.300 . . . . . A 54 ASP CB . 25016 1 584 . 1 1 54 54 ASP N N 15 122.470 0.300 . . . . . A 54 ASP N . 25016 1 585 . 1 1 55 55 GLU H H 1 8.036 0.020 . . . . . A 55 GLU H . 25016 1 586 . 1 1 55 55 GLU HA H 1 3.864 0.020 . . . . . A 55 GLU HA . 25016 1 587 . 1 1 55 55 GLU HB2 H 1 1.923 0.020 . . . . . A 55 GLU HB2 . 25016 1 588 . 1 1 55 55 GLU HB3 H 1 1.923 0.020 . . . . . A 55 GLU HB3 . 25016 1 589 . 1 1 55 55 GLU HG2 H 1 2.571 0.020 . . . . . A 55 GLU HG2 . 25016 1 590 . 1 1 55 55 GLU HG3 H 1 2.475 0.020 . . . . . A 55 GLU HG3 . 25016 1 591 . 1 1 55 55 GLU CA C 13 58.452 0.300 . . . . . A 55 GLU CA . 25016 1 592 . 1 1 55 55 GLU CB C 13 28.714 0.300 . . . . . A 55 GLU CB . 25016 1 593 . 1 1 55 55 GLU CG C 13 36.188 0.300 . . . . . A 55 GLU CG . 25016 1 594 . 1 1 55 55 GLU N N 15 122.470 0.300 . . . . . A 55 GLU N . 25016 1 595 . 1 1 56 56 PHE H H 1 8.519 0.020 . . . . . A 56 PHE H . 25016 1 596 . 1 1 56 56 PHE HA H 1 3.624 0.020 . . . . . A 56 PHE HA . 25016 1 597 . 1 1 56 56 PHE HB2 H 1 3.245 0.020 . . . . . A 56 PHE HB2 . 25016 1 598 . 1 1 56 56 PHE HB3 H 1 2.847 0.020 . . . . . A 56 PHE HB3 . 25016 1 599 . 1 1 56 56 PHE HD2 H 1 6.823 0.020 . . . . . A 56 PHE HD2 . 25016 1 600 . 1 1 56 56 PHE HE2 H 1 7.069 0.020 . . . . . A 56 PHE HE2 . 25016 1 601 . 1 1 56 56 PHE HZ H 1 7.030 0.020 . . . . . A 56 PHE HZ . 25016 1 602 . 1 1 56 56 PHE CA C 13 61.477 0.300 . . . . . A 56 PHE CA . 25016 1 603 . 1 1 56 56 PHE CB C 13 38.998 0.300 . . . . . A 56 PHE CB . 25016 1 604 . 1 1 56 56 PHE CD2 C 13 132.029 0.300 . . . . . A 56 PHE CD2 . 25016 1 605 . 1 1 56 56 PHE CE2 C 13 132.239 0.300 . . . . . A 56 PHE CE2 . 25016 1 606 . 1 1 56 56 PHE CZ C 13 130.336 0.300 . . . . . A 56 PHE CZ . 25016 1 607 . 1 1 56 56 PHE N N 15 122.414 0.300 . . . . . A 56 PHE N . 25016 1 608 . 1 1 57 57 GLY H H 1 7.849 0.020 . . . . . A 57 GLY H . 25016 1 609 . 1 1 57 57 GLY HA2 H 1 3.847 0.020 . . . . . A 57 GLY HA2 . 25016 1 610 . 1 1 57 57 GLY HA3 H 1 3.663 0.020 . . . . . A 57 GLY HA3 . 25016 1 611 . 1 1 57 57 GLY CA C 13 47.057 0.300 . . . . . A 57 GLY CA . 25016 1 612 . 1 1 57 57 GLY N N 15 107.025 0.300 . . . . . A 57 GLY N . 25016 1 613 . 1 1 58 58 THR H H 1 7.876 0.020 . . . . . A 58 THR H . 25016 1 614 . 1 1 58 58 THR HA H 1 4.545 0.020 . . . . . A 58 THR HA . 25016 1 615 . 1 1 58 58 THR HB H 1 3.869 0.020 . . . . . A 58 THR HB . 25016 1 616 . 1 1 58 58 THR HG21 H 1 1.091 0.020 . . . . . A 58 THR HG21 . 25016 1 617 . 1 1 58 58 THR HG22 H 1 1.091 0.020 . . . . . A 58 THR HG22 . 25016 1 618 . 1 1 58 58 THR HG23 H 1 1.091 0.020 . . . . . A 58 THR HG23 . 25016 1 619 . 1 1 58 58 THR CA C 13 65.875 0.300 . . . . . A 58 THR CA . 25016 1 620 . 1 1 58 58 THR CG2 C 13 22.131 0.300 . . . . . A 58 THR CG2 . 25016 1 621 . 1 1 58 58 THR N N 15 118.969 0.300 . . . . . A 58 THR N . 25016 1 622 . 1 1 59 59 ALA H H 1 8.499 0.020 . . . . . A 59 ALA H . 25016 1 623 . 1 1 59 59 ALA HA H 1 3.888 0.020 . . . . . A 59 ALA HA . 25016 1 624 . 1 1 59 59 ALA HB1 H 1 1.097 0.020 . . . . . A 59 ALA HB1 . 25016 1 625 . 1 1 59 59 ALA HB2 H 1 1.097 0.020 . . . . . A 59 ALA HB2 . 25016 1 626 . 1 1 59 59 ALA HB3 H 1 1.097 0.020 . . . . . A 59 ALA HB3 . 25016 1 627 . 1 1 59 59 ALA CA C 13 53.821 0.300 . . . . . A 59 ALA CA . 25016 1 628 . 1 1 59 59 ALA CB C 13 18.399 0.300 . . . . . A 59 ALA CB . 25016 1 629 . 1 1 59 59 ALA N N 15 126.490 0.300 . . . . . A 59 ALA N . 25016 1 630 . 1 1 60 60 SER H H 1 7.437 0.020 . . . . . A 60 SER H . 25016 1 631 . 1 1 60 60 SER HA H 1 4.497 0.020 . . . . . A 60 SER HA . 25016 1 632 . 1 1 60 60 SER HB2 H 1 3.698 0.020 . . . . . A 60 SER HB2 . 25016 1 633 . 1 1 60 60 SER HB3 H 1 3.698 0.020 . . . . . A 60 SER HB3 . 25016 1 634 . 1 1 60 60 SER CA C 13 60.522 0.300 . . . . . A 60 SER CA . 25016 1 635 . 1 1 60 60 SER CB C 13 63.000 0.300 . . . . . A 60 SER CB . 25016 1 636 . 1 1 60 60 SER N N 15 112.480 0.300 . . . . . A 60 SER N . 25016 1 637 . 1 1 61 61 ASN H H 1 7.325 0.020 . . . . . A 61 ASN H . 25016 1 638 . 1 1 61 61 ASN HA H 1 4.446 0.020 . . . . . A 61 ASN HA . 25016 1 639 . 1 1 61 61 ASN HB2 H 1 2.594 0.020 . . . . . A 61 ASN HB2 . 25016 1 640 . 1 1 61 61 ASN HB3 H 1 2.594 0.020 . . . . . A 61 ASN HB3 . 25016 1 641 . 1 1 61 61 ASN HD21 H 1 7.276 0.020 . . . . . A 61 ASN HD21 . 25016 1 642 . 1 1 61 61 ASN HD22 H 1 6.746 0.020 . . . . . A 61 ASN HD22 . 25016 1 643 . 1 1 61 61 ASN CA C 13 52.933 0.300 . . . . . A 61 ASN CA . 25016 1 644 . 1 1 61 61 ASN CB C 13 39.012 0.300 . . . . . A 61 ASN CB . 25016 1 645 . 1 1 61 61 ASN N N 15 117.329 0.300 . . . . . A 61 ASN N . 25016 1 646 . 1 1 61 61 ASN ND2 N 15 114.674 0.300 . . . . . A 61 ASN ND2 . 25016 1 647 . 1 1 62 62 ILE H H 1 7.397 0.020 . . . . . A 62 ILE H . 25016 1 648 . 1 1 62 62 ILE HA H 1 3.602 0.020 . . . . . A 62 ILE HA . 25016 1 649 . 1 1 62 62 ILE HB H 1 1.426 0.020 . . . . . A 62 ILE HB . 25016 1 650 . 1 1 62 62 ILE HG12 H 1 1.519 0.020 . . . . . A 62 ILE HG12 . 25016 1 651 . 1 1 62 62 ILE HG13 H 1 0.848 0.020 . . . . . A 62 ILE HG13 . 25016 1 652 . 1 1 62 62 ILE HG21 H 1 0.786 0.020 . . . . . A 62 ILE HG21 . 25016 1 653 . 1 1 62 62 ILE HG22 H 1 0.786 0.020 . . . . . A 62 ILE HG22 . 25016 1 654 . 1 1 62 62 ILE HG23 H 1 0.786 0.020 . . . . . A 62 ILE HG23 . 25016 1 655 . 1 1 62 62 ILE HD11 H 1 0.719 0.020 . . . . . A 62 ILE HD11 . 25016 1 656 . 1 1 62 62 ILE HD12 H 1 0.719 0.020 . . . . . A 62 ILE HD12 . 25016 1 657 . 1 1 62 62 ILE HD13 H 1 0.719 0.020 . . . . . A 62 ILE HD13 . 25016 1 658 . 1 1 62 62 ILE CA C 13 63.205 0.300 . . . . . A 62 ILE CA . 25016 1 659 . 1 1 62 62 ILE CB C 13 38.399 0.300 . . . . . A 62 ILE CB . 25016 1 660 . 1 1 62 62 ILE CG1 C 13 29.016 0.300 . . . . . A 62 ILE CG1 . 25016 1 661 . 1 1 62 62 ILE CG2 C 13 17.139 0.300 . . . . . A 62 ILE CG2 . 25016 1 662 . 1 1 62 62 ILE CD1 C 13 13.709 0.300 . . . . . A 62 ILE CD1 . 25016 1 663 . 1 1 62 62 ILE N N 15 123.819 0.300 . . . . . A 62 ILE N . 25016 1 664 . 1 1 63 63 LYS H H 1 8.312 0.020 . . . . . A 63 LYS H . 25016 1 665 . 1 1 63 63 LYS HA H 1 3.749 0.020 . . . . . A 63 LYS HA . 25016 1 666 . 1 1 63 63 LYS HB2 H 1 1.561 0.020 . . . . . A 63 LYS HB2 . 25016 1 667 . 1 1 63 63 LYS HB3 H 1 1.561 0.020 . . . . . A 63 LYS HB3 . 25016 1 668 . 1 1 63 63 LYS HG2 H 1 1.283 0.020 . . . . . A 63 LYS HG2 . 25016 1 669 . 1 1 63 63 LYS HG3 H 1 1.283 0.020 . . . . . A 63 LYS HG3 . 25016 1 670 . 1 1 63 63 LYS HD2 H 1 1.421 0.020 . . . . . A 63 LYS HD2 . 25016 1 671 . 1 1 63 63 LYS HD3 H 1 1.421 0.020 . . . . . A 63 LYS HD3 . 25016 1 672 . 1 1 63 63 LYS HE2 H 1 2.665 0.020 . . . . . A 63 LYS HE2 . 25016 1 673 . 1 1 63 63 LYS HE3 H 1 2.665 0.020 . . . . . A 63 LYS HE3 . 25016 1 674 . 1 1 63 63 LYS CA C 13 58.556 0.300 . . . . . A 63 LYS CA . 25016 1 675 . 1 1 63 63 LYS CB C 13 32.376 0.300 . . . . . A 63 LYS CB . 25016 1 676 . 1 1 63 63 LYS CG C 13 24.897 0.300 . . . . . A 63 LYS CG . 25016 1 677 . 1 1 63 63 LYS CD C 13 28.664 0.300 . . . . . A 63 LYS CD . 25016 1 678 . 1 1 63 63 LYS N N 15 128.475 0.300 . . . . . A 63 LYS N . 25016 1 679 . 1 1 64 64 SER H H 1 7.521 0.020 . . . . . A 64 SER H . 25016 1 680 . 1 1 64 64 SER HA H 1 4.524 0.020 . . . . . A 64 SER HA . 25016 1 681 . 1 1 64 64 SER HB2 H 1 4.232 0.020 . . . . . A 64 SER HB2 . 25016 1 682 . 1 1 64 64 SER HB3 H 1 3.775 0.020 . . . . . A 64 SER HB3 . 25016 1 683 . 1 1 64 64 SER CA C 13 56.637 0.300 . . . . . A 64 SER CA . 25016 1 684 . 1 1 64 64 SER CB C 13 65.460 0.300 . . . . . A 64 SER CB . 25016 1 685 . 1 1 64 64 SER N N 15 114.411 0.300 . . . . . A 64 SER N . 25016 1 686 . 1 1 65 65 ARG H H 1 8.543 0.020 . . . . . A 65 ARG H . 25016 1 687 . 1 1 65 65 ARG HA H 1 3.593 0.020 . . . . . A 65 ARG HA . 25016 1 688 . 1 1 65 65 ARG HB2 H 1 1.644 0.020 . . . . . A 65 ARG HB2 . 25016 1 689 . 1 1 65 65 ARG HB3 H 1 1.644 0.020 . . . . . A 65 ARG HB3 . 25016 1 690 . 1 1 65 65 ARG HG2 H 1 1.360 0.020 . . . . . A 65 ARG HG2 . 25016 1 691 . 1 1 65 65 ARG HG3 H 1 1.360 0.020 . . . . . A 65 ARG HG3 . 25016 1 692 . 1 1 65 65 ARG HD2 H 1 2.988 0.020 . . . . . A 65 ARG HD2 . 25016 1 693 . 1 1 65 65 ARG HD3 H 1 2.988 0.020 . . . . . A 65 ARG HD3 . 25016 1 694 . 1 1 65 65 ARG CA C 13 59.683 0.300 . . . . . A 65 ARG CA . 25016 1 695 . 1 1 65 65 ARG CB C 13 29.958 0.300 . . . . . A 65 ARG CB . 25016 1 696 . 1 1 65 65 ARG CG C 13 27.445 0.300 . . . . . A 65 ARG CG . 25016 1 697 . 1 1 65 65 ARG N N 15 131.259 0.300 . . . . . A 65 ARG N . 25016 1 698 . 1 1 66 66 VAL H H 1 7.854 0.020 . . . . . A 66 VAL H . 25016 1 699 . 1 1 66 66 VAL HA H 1 3.509 0.020 . . . . . A 66 VAL HA . 25016 1 700 . 1 1 66 66 VAL HB H 1 1.649 0.020 . . . . . A 66 VAL HB . 25016 1 701 . 1 1 66 66 VAL HG11 H 1 0.729 0.020 . . . . . A 66 VAL HG11 . 25016 1 702 . 1 1 66 66 VAL HG12 H 1 0.729 0.020 . . . . . A 66 VAL HG12 . 25016 1 703 . 1 1 66 66 VAL HG13 H 1 0.729 0.020 . . . . . A 66 VAL HG13 . 25016 1 704 . 1 1 66 66 VAL HG21 H 1 0.729 0.020 . . . . . A 66 VAL HG21 . 25016 1 705 . 1 1 66 66 VAL HG22 H 1 0.729 0.020 . . . . . A 66 VAL HG22 . 25016 1 706 . 1 1 66 66 VAL HG23 H 1 0.729 0.020 . . . . . A 66 VAL HG23 . 25016 1 707 . 1 1 66 66 VAL CA C 13 65.377 0.300 . . . . . A 66 VAL CA . 25016 1 708 . 1 1 66 66 VAL CB C 13 31.527 0.300 . . . . . A 66 VAL CB . 25016 1 709 . 1 1 66 66 VAL CG1 C 13 21.545 0.300 . . . . . A 66 VAL CG1 . 25016 1 710 . 1 1 66 66 VAL CG2 C 13 20.254 0.300 . . . . . A 66 VAL CG2 . 25016 1 711 . 1 1 66 66 VAL N N 15 117.263 0.300 . . . . . A 66 VAL N . 25016 1 712 . 1 1 67 67 ASN H H 1 7.369 0.020 . . . . . A 67 ASN H . 25016 1 713 . 1 1 67 67 ASN HA H 1 4.296 0.020 . . . . . A 67 ASN HA . 25016 1 714 . 1 1 67 67 ASN HB2 H 1 2.488 0.020 . . . . . A 67 ASN HB2 . 25016 1 715 . 1 1 67 67 ASN HB3 H 1 2.488 0.020 . . . . . A 67 ASN HB3 . 25016 1 716 . 1 1 67 67 ASN HD21 H 1 7.314 0.020 . . . . . A 67 ASN HD21 . 25016 1 717 . 1 1 67 67 ASN HD22 H 1 6.746 0.020 . . . . . A 67 ASN HD22 . 25016 1 718 . 1 1 67 67 ASN CA C 13 55.312 0.300 . . . . . A 67 ASN CA . 25016 1 719 . 1 1 67 67 ASN CB C 13 38.064 0.300 . . . . . A 67 ASN CB . 25016 1 720 . 1 1 67 67 ASN N N 15 119.952 0.300 . . . . . A 67 ASN N . 25016 1 721 . 1 1 67 67 ASN ND2 N 15 111.759 0.300 . . . . . A 67 ASN ND2 . 25016 1 722 . 1 1 68 68 ARG H H 1 8.394 0.020 . . . . . A 68 ARG H . 25016 1 723 . 1 1 68 68 ARG HA H 1 3.581 0.020 . . . . . A 68 ARG HA . 25016 1 724 . 1 1 68 68 ARG HB2 H 1 1.615 0.020 . . . . . A 68 ARG HB2 . 25016 1 725 . 1 1 68 68 ARG HB3 H 1 1.615 0.020 . . . . . A 68 ARG HB3 . 25016 1 726 . 1 1 68 68 ARG HG2 H 1 1.222 0.020 . . . . . A 68 ARG HG2 . 25016 1 727 . 1 1 68 68 ARG HG3 H 1 1.222 0.020 . . . . . A 68 ARG HG3 . 25016 1 728 . 1 1 68 68 ARG CA C 13 59.745 0.300 . . . . . A 68 ARG CA . 25016 1 729 . 1 1 68 68 ARG CB C 13 30.559 0.300 . . . . . A 68 ARG CB . 25016 1 730 . 1 1 68 68 ARG CG C 13 26.840 0.300 . . . . . A 68 ARG CG . 25016 1 731 . 1 1 68 68 ARG N N 15 122.055 0.300 . . . . . A 68 ARG N . 25016 1 732 . 1 1 69 69 LEU H H 1 8.068 0.020 . . . . . A 69 LEU H . 25016 1 733 . 1 1 69 69 LEU HA H 1 3.711 0.020 . . . . . A 69 LEU HA . 25016 1 734 . 1 1 69 69 LEU HB2 H 1 1.581 0.020 . . . . . A 69 LEU HB2 . 25016 1 735 . 1 1 69 69 LEU HB3 H 1 1.295 0.020 . . . . . A 69 LEU HB3 . 25016 1 736 . 1 1 69 69 LEU HG H 1 1.610 0.020 . . . . . A 69 LEU HG . 25016 1 737 . 1 1 69 69 LEU HD11 H 1 0.651 0.020 . . . . . A 69 LEU HD11 . 25016 1 738 . 1 1 69 69 LEU HD12 H 1 0.651 0.020 . . . . . A 69 LEU HD12 . 25016 1 739 . 1 1 69 69 LEU HD13 H 1 0.651 0.020 . . . . . A 69 LEU HD13 . 25016 1 740 . 1 1 69 69 LEU HD21 H 1 0.651 0.020 . . . . . A 69 LEU HD21 . 25016 1 741 . 1 1 69 69 LEU HD22 H 1 0.651 0.020 . . . . . A 69 LEU HD22 . 25016 1 742 . 1 1 69 69 LEU HD23 H 1 0.651 0.020 . . . . . A 69 LEU HD23 . 25016 1 743 . 1 1 69 69 LEU CA C 13 57.961 0.300 . . . . . A 69 LEU CA . 25016 1 744 . 1 1 69 69 LEU CB C 13 40.767 0.300 . . . . . A 69 LEU CB . 25016 1 745 . 1 1 69 69 LEU CG C 13 27.105 0.300 . . . . . A 69 LEU CG . 25016 1 746 . 1 1 69 69 LEU CD1 C 13 22.483 0.300 . . . . . A 69 LEU CD1 . 25016 1 747 . 1 1 69 69 LEU CD2 C 13 24.656 0.300 . . . . . A 69 LEU CD2 . 25016 1 748 . 1 1 69 69 LEU N N 15 117.095 0.300 . . . . . A 69 LEU N . 25016 1 749 . 1 1 70 70 SER H H 1 7.593 0.020 . . . . . A 70 SER H . 25016 1 750 . 1 1 70 70 SER HA H 1 4.072 0.020 . . . . . A 70 SER HA . 25016 1 751 . 1 1 70 70 SER HB2 H 1 3.809 0.020 . . . . . A 70 SER HB2 . 25016 1 752 . 1 1 70 70 SER HB3 H 1 3.809 0.020 . . . . . A 70 SER HB3 . 25016 1 753 . 1 1 70 70 SER CA C 13 61.474 0.300 . . . . . A 70 SER CA . 25016 1 754 . 1 1 70 70 SER CB C 13 62.858 0.300 . . . . . A 70 SER CB . 25016 1 755 . 1 1 70 70 SER N N 15 116.380 0.300 . . . . . A 70 SER N . 25016 1 756 . 1 1 71 71 VAL H H 1 7.929 0.020 . . . . . A 71 VAL H . 25016 1 757 . 1 1 71 71 VAL HA H 1 3.538 0.020 . . . . . A 71 VAL HA . 25016 1 758 . 1 1 71 71 VAL HB H 1 1.764 0.020 . . . . . A 71 VAL HB . 25016 1 759 . 1 1 71 71 VAL HG11 H 1 0.745 0.020 . . . . . A 71 VAL HG11 . 25016 1 760 . 1 1 71 71 VAL HG12 H 1 0.745 0.020 . . . . . A 71 VAL HG12 . 25016 1 761 . 1 1 71 71 VAL HG13 H 1 0.745 0.020 . . . . . A 71 VAL HG13 . 25016 1 762 . 1 1 71 71 VAL HG21 H 1 0.745 0.020 . . . . . A 71 VAL HG21 . 25016 1 763 . 1 1 71 71 VAL HG22 H 1 0.745 0.020 . . . . . A 71 VAL HG22 . 25016 1 764 . 1 1 71 71 VAL HG23 H 1 0.745 0.020 . . . . . A 71 VAL HG23 . 25016 1 765 . 1 1 71 71 VAL CA C 13 66.781 0.300 . . . . . A 71 VAL CA . 25016 1 766 . 1 1 71 71 VAL CB C 13 31.803 0.300 . . . . . A 71 VAL CB . 25016 1 767 . 1 1 71 71 VAL CG1 C 13 23.006 0.300 . . . . . A 71 VAL CG1 . 25016 1 768 . 1 1 71 71 VAL CG2 C 13 21.769 0.300 . . . . . A 71 VAL CG2 . 25016 1 769 . 1 1 71 71 VAL N N 15 124.377 0.300 . . . . . A 71 VAL N . 25016 1 770 . 1 1 72 72 LEU H H 1 8.272 0.020 . . . . . A 72 LEU H . 25016 1 771 . 1 1 72 72 LEU HA H 1 3.701 0.020 . . . . . A 72 LEU HA . 25016 1 772 . 1 1 72 72 LEU HB2 H 1 1.450 0.020 . . . . . A 72 LEU HB2 . 25016 1 773 . 1 1 72 72 LEU HB3 H 1 1.184 0.020 . . . . . A 72 LEU HB3 . 25016 1 774 . 1 1 72 72 LEU HG H 1 1.404 0.020 . . . . . A 72 LEU HG . 25016 1 775 . 1 1 72 72 LEU HD11 H 1 0.361 0.020 . . . . . A 72 LEU HD11 . 25016 1 776 . 1 1 72 72 LEU HD12 H 1 0.361 0.020 . . . . . A 72 LEU HD12 . 25016 1 777 . 1 1 72 72 LEU HD13 H 1 0.361 0.020 . . . . . A 72 LEU HD13 . 25016 1 778 . 1 1 72 72 LEU HD21 H 1 -0.214 0.020 . . . . . A 72 LEU HD21 . 25016 1 779 . 1 1 72 72 LEU HD22 H 1 -0.214 0.020 . . . . . A 72 LEU HD22 . 25016 1 780 . 1 1 72 72 LEU HD23 H 1 -0.214 0.020 . . . . . A 72 LEU HD23 . 25016 1 781 . 1 1 72 72 LEU CA C 13 58.259 0.300 . . . . . A 72 LEU CA . 25016 1 782 . 1 1 72 72 LEU CB C 13 40.315 0.300 . . . . . A 72 LEU CB . 25016 1 783 . 1 1 72 72 LEU CG C 13 25.600 0.300 . . . . . A 72 LEU CG . 25016 1 784 . 1 1 72 72 LEU CD1 C 13 25.715 0.300 . . . . . A 72 LEU CD1 . 25016 1 785 . 1 1 72 72 LEU CD2 C 13 22.158 0.300 . . . . . A 72 LEU CD2 . 25016 1 786 . 1 1 72 72 LEU N N 15 119.747 0.300 . . . . . A 72 LEU N . 25016 1 787 . 1 1 73 73 GLY H H 1 7.951 0.020 . . . . . A 73 GLY H . 25016 1 788 . 1 1 73 73 GLY HA2 H 1 3.696 0.020 . . . . . A 73 GLY HA2 . 25016 1 789 . 1 1 73 73 GLY HA3 H 1 3.696 0.020 . . . . . A 73 GLY HA3 . 25016 1 790 . 1 1 73 73 GLY CA C 13 46.943 0.300 . . . . . A 73 GLY CA . 25016 1 791 . 1 1 73 73 GLY N N 15 106.741 0.300 . . . . . A 73 GLY N . 25016 1 792 . 1 1 74 74 ALA H H 1 7.636 0.020 . . . . . A 74 ALA H . 25016 1 793 . 1 1 74 74 ALA HA H 1 4.061 0.020 . . . . . A 74 ALA HA . 25016 1 794 . 1 1 74 74 ALA HB1 H 1 1.365 0.020 . . . . . A 74 ALA HB1 . 25016 1 795 . 1 1 74 74 ALA HB2 H 1 1.365 0.020 . . . . . A 74 ALA HB2 . 25016 1 796 . 1 1 74 74 ALA HB3 H 1 1.365 0.020 . . . . . A 74 ALA HB3 . 25016 1 797 . 1 1 74 74 ALA CA C 13 55.379 0.300 . . . . . A 74 ALA CA . 25016 1 798 . 1 1 74 74 ALA CB C 13 17.773 0.300 . . . . . A 74 ALA CB . 25016 1 799 . 1 1 74 74 ALA N N 15 127.169 0.300 . . . . . A 74 ALA N . 25016 1 800 . 1 1 75 75 ILE H H 1 8.529 0.020 . . . . . A 75 ILE H . 25016 1 801 . 1 1 75 75 ILE HA H 1 3.653 0.020 . . . . . A 75 ILE HA . 25016 1 802 . 1 1 75 75 ILE HB H 1 1.848 0.020 . . . . . A 75 ILE HB . 25016 1 803 . 1 1 75 75 ILE HG12 H 1 1.896 0.020 . . . . . A 75 ILE HG12 . 25016 1 804 . 1 1 75 75 ILE HG13 H 1 0.759 0.020 . . . . . A 75 ILE HG13 . 25016 1 805 . 1 1 75 75 ILE HG21 H 1 0.678 0.020 . . . . . A 75 ILE HG21 . 25016 1 806 . 1 1 75 75 ILE HG22 H 1 0.678 0.020 . . . . . A 75 ILE HG22 . 25016 1 807 . 1 1 75 75 ILE HG23 H 1 0.678 0.020 . . . . . A 75 ILE HG23 . 25016 1 808 . 1 1 75 75 ILE HD11 H 1 0.613 0.020 . . . . . A 75 ILE HD11 . 25016 1 809 . 1 1 75 75 ILE HD12 H 1 0.613 0.020 . . . . . A 75 ILE HD12 . 25016 1 810 . 1 1 75 75 ILE HD13 H 1 0.613 0.020 . . . . . A 75 ILE HD13 . 25016 1 811 . 1 1 75 75 ILE CA C 13 66.586 0.300 . . . . . A 75 ILE CA . 25016 1 812 . 1 1 75 75 ILE CB C 13 38.411 0.300 . . . . . A 75 ILE CB . 25016 1 813 . 1 1 75 75 ILE CG1 C 13 29.308 0.300 . . . . . A 75 ILE CG1 . 25016 1 814 . 1 1 75 75 ILE CG2 C 13 18.060 0.300 . . . . . A 75 ILE CG2 . 25016 1 815 . 1 1 75 75 ILE CD1 C 13 14.340 0.300 . . . . . A 75 ILE CD1 . 25016 1 816 . 1 1 75 75 ILE N N 15 119.354 0.300 . . . . . A 75 ILE N . 25016 1 817 . 1 1 76 76 THR H H 1 8.289 0.020 . . . . . A 76 THR H . 25016 1 818 . 1 1 76 76 THR HA H 1 4.049 0.020 . . . . . A 76 THR HA . 25016 1 819 . 1 1 76 76 THR HB H 1 3.703 0.020 . . . . . A 76 THR HB . 25016 1 820 . 1 1 76 76 THR HG21 H 1 1.036 0.020 . . . . . A 76 THR HG21 . 25016 1 821 . 1 1 76 76 THR HG22 H 1 1.036 0.020 . . . . . A 76 THR HG22 . 25016 1 822 . 1 1 76 76 THR HG23 H 1 1.036 0.020 . . . . . A 76 THR HG23 . 25016 1 823 . 1 1 76 76 THR CA C 13 66.462 0.300 . . . . . A 76 THR CA . 25016 1 824 . 1 1 76 76 THR CG2 C 13 21.212 0.300 . . . . . A 76 THR CG2 . 25016 1 825 . 1 1 76 76 THR N N 15 116.365 0.300 . . . . . A 76 THR N . 25016 1 826 . 1 1 77 77 SER H H 1 7.734 0.020 . . . . . A 77 SER H . 25016 1 827 . 1 1 77 77 SER HA H 1 3.994 0.020 . . . . . A 77 SER HA . 25016 1 828 . 1 1 77 77 SER HB2 H 1 3.823 0.020 . . . . . A 77 SER HB2 . 25016 1 829 . 1 1 77 77 SER HB3 H 1 3.823 0.020 . . . . . A 77 SER HB3 . 25016 1 830 . 1 1 77 77 SER HG H 1 4.536 0.020 . . . . . A 77 SER HG . 25016 1 831 . 1 1 77 77 SER CA C 13 62.366 0.300 . . . . . A 77 SER CA . 25016 1 832 . 1 1 77 77 SER CB C 13 62.758 0.300 . . . . . A 77 SER CB . 25016 1 833 . 1 1 77 77 SER N N 15 118.651 0.300 . . . . . A 77 SER N . 25016 1 834 . 1 1 78 78 VAL H H 1 8.040 0.020 . . . . . A 78 VAL H . 25016 1 835 . 1 1 78 78 VAL HA H 1 3.414 0.020 . . . . . A 78 VAL HA . 25016 1 836 . 1 1 78 78 VAL HB H 1 2.037 0.020 . . . . . A 78 VAL HB . 25016 1 837 . 1 1 78 78 VAL HG11 H 1 0.883 0.020 . . . . . A 78 VAL HG11 . 25016 1 838 . 1 1 78 78 VAL HG12 H 1 0.883 0.020 . . . . . A 78 VAL HG12 . 25016 1 839 . 1 1 78 78 VAL HG13 H 1 0.883 0.020 . . . . . A 78 VAL HG13 . 25016 1 840 . 1 1 78 78 VAL HG21 H 1 0.675 0.020 . . . . . A 78 VAL HG21 . 25016 1 841 . 1 1 78 78 VAL HG22 H 1 0.675 0.020 . . . . . A 78 VAL HG22 . 25016 1 842 . 1 1 78 78 VAL HG23 H 1 0.675 0.020 . . . . . A 78 VAL HG23 . 25016 1 843 . 1 1 78 78 VAL CA C 13 66.706 0.300 . . . . . A 78 VAL CA . 25016 1 844 . 1 1 78 78 VAL CB C 13 31.000 0.300 . . . . . A 78 VAL CB . 25016 1 845 . 1 1 78 78 VAL CG1 C 13 23.869 0.300 . . . . . A 78 VAL CG1 . 25016 1 846 . 1 1 78 78 VAL CG2 C 13 23.388 0.300 . . . . . A 78 VAL CG2 . 25016 1 847 . 1 1 78 78 VAL N N 15 124.181 0.300 . . . . . A 78 VAL N . 25016 1 848 . 1 1 79 79 GLN H H 1 8.522 0.020 . . . . . A 79 GLN H . 25016 1 849 . 1 1 79 79 GLN HA H 1 3.669 0.020 . . . . . A 79 GLN HA . 25016 1 850 . 1 1 79 79 GLN HB2 H 1 2.177 0.020 . . . . . A 79 GLN HB2 . 25016 1 851 . 1 1 79 79 GLN HB3 H 1 1.671 0.020 . . . . . A 79 GLN HB3 . 25016 1 852 . 1 1 79 79 GLN HG2 H 1 2.201 0.020 . . . . . A 79 GLN HG2 . 25016 1 853 . 1 1 79 79 GLN HG3 H 1 1.929 0.020 . . . . . A 79 GLN HG3 . 25016 1 854 . 1 1 79 79 GLN HE21 H 1 6.943 0.020 . . . . . A 79 GLN HE21 . 25016 1 855 . 1 1 79 79 GLN HE22 H 1 6.334 0.020 . . . . . A 79 GLN HE22 . 25016 1 856 . 1 1 79 79 GLN CA C 13 59.396 0.300 . . . . . A 79 GLN CA . 25016 1 857 . 1 1 79 79 GLN CB C 13 29.042 0.300 . . . . . A 79 GLN CB . 25016 1 858 . 1 1 79 79 GLN CG C 13 34.009 0.300 . . . . . A 79 GLN CG . 25016 1 859 . 1 1 79 79 GLN N N 15 119.788 0.300 . . . . . A 79 GLN N . 25016 1 860 . 1 1 79 79 GLN NE2 N 15 109.622 0.300 . . . . . A 79 GLN NE2 . 25016 1 861 . 1 1 80 80 GLN H H 1 7.802 0.020 . . . . . A 80 GLN H . 25016 1 862 . 1 1 80 80 GLN HA H 1 3.702 0.020 . . . . . A 80 GLN HA . 25016 1 863 . 1 1 80 80 GLN HB2 H 1 1.981 0.020 . . . . . A 80 GLN HB2 . 25016 1 864 . 1 1 80 80 GLN HB3 H 1 1.850 0.020 . . . . . A 80 GLN HB3 . 25016 1 865 . 1 1 80 80 GLN HG2 H 1 2.314 0.020 . . . . . A 80 GLN HG2 . 25016 1 866 . 1 1 80 80 GLN HG3 H 1 2.206 0.020 . . . . . A 80 GLN HG3 . 25016 1 867 . 1 1 80 80 GLN HE21 H 1 7.129 0.020 . . . . . A 80 GLN HE21 . 25016 1 868 . 1 1 80 80 GLN HE22 H 1 6.643 0.020 . . . . . A 80 GLN HE22 . 25016 1 869 . 1 1 80 80 GLN CA C 13 58.442 0.300 . . . . . A 80 GLN CA . 25016 1 870 . 1 1 80 80 GLN CB C 13 28.022 0.300 . . . . . A 80 GLN CB . 25016 1 871 . 1 1 80 80 GLN CG C 13 33.666 0.300 . . . . . A 80 GLN CG . 25016 1 872 . 1 1 80 80 GLN N N 15 116.895 0.300 . . . . . A 80 GLN N . 25016 1 873 . 1 1 80 80 GLN NE2 N 15 112.634 0.300 . . . . . A 80 GLN NE2 . 25016 1 874 . 1 1 81 81 ARG H H 1 7.470 0.020 . . . . . A 81 ARG H . 25016 1 875 . 1 1 81 81 ARG HA H 1 3.901 0.020 . . . . . A 81 ARG HA . 25016 1 876 . 1 1 81 81 ARG HB2 H 1 1.769 0.020 . . . . . A 81 ARG HB2 . 25016 1 877 . 1 1 81 81 ARG HB3 H 1 1.666 0.020 . . . . . A 81 ARG HB3 . 25016 1 878 . 1 1 81 81 ARG HG2 H 1 1.706 0.020 . . . . . A 81 ARG HG2 . 25016 1 879 . 1 1 81 81 ARG HG3 H 1 1.394 0.020 . . . . . A 81 ARG HG3 . 25016 1 880 . 1 1 81 81 ARG HD2 H 1 2.916 0.020 . . . . . A 81 ARG HD2 . 25016 1 881 . 1 1 81 81 ARG HD3 H 1 2.916 0.020 . . . . . A 81 ARG HD3 . 25016 1 882 . 1 1 81 81 ARG CA C 13 56.546 0.300 . . . . . A 81 ARG CA . 25016 1 883 . 1 1 81 81 ARG CB C 13 28.390 0.300 . . . . . A 81 ARG CB . 25016 1 884 . 1 1 81 81 ARG CG C 13 24.888 0.300 . . . . . A 81 ARG CG . 25016 1 885 . 1 1 81 81 ARG N N 15 119.495 0.300 . . . . . A 81 ARG N . 25016 1 886 . 1 1 82 82 LEU H H 1 8.081 0.020 . . . . . A 82 LEU H . 25016 1 887 . 1 1 82 82 LEU HA H 1 3.749 0.020 . . . . . A 82 LEU HA . 25016 1 888 . 1 1 82 82 LEU HB2 H 1 1.453 0.020 . . . . . A 82 LEU HB2 . 25016 1 889 . 1 1 82 82 LEU HB3 H 1 1.245 0.020 . . . . . A 82 LEU HB3 . 25016 1 890 . 1 1 82 82 LEU HG H 1 1.551 0.020 . . . . . A 82 LEU HG . 25016 1 891 . 1 1 82 82 LEU HD11 H 1 0.334 0.020 . . . . . A 82 LEU HD11 . 25016 1 892 . 1 1 82 82 LEU HD12 H 1 0.334 0.020 . . . . . A 82 LEU HD12 . 25016 1 893 . 1 1 82 82 LEU HD13 H 1 0.334 0.020 . . . . . A 82 LEU HD13 . 25016 1 894 . 1 1 82 82 LEU HD21 H 1 0.334 0.020 . . . . . A 82 LEU HD21 . 25016 1 895 . 1 1 82 82 LEU HD22 H 1 0.334 0.020 . . . . . A 82 LEU HD22 . 25016 1 896 . 1 1 82 82 LEU HD23 H 1 0.334 0.020 . . . . . A 82 LEU HD23 . 25016 1 897 . 1 1 82 82 LEU CA C 13 57.071 0.300 . . . . . A 82 LEU CA . 25016 1 898 . 1 1 82 82 LEU CB C 13 40.903 0.300 . . . . . A 82 LEU CB . 25016 1 899 . 1 1 82 82 LEU CG C 13 26.219 0.300 . . . . . A 82 LEU CG . 25016 1 900 . 1 1 82 82 LEU CD1 C 13 22.756 0.300 . . . . . A 82 LEU CD1 . 25016 1 901 . 1 1 82 82 LEU CD2 C 13 25.269 0.300 . . . . . A 82 LEU CD2 . 25016 1 902 . 1 1 82 82 LEU N N 15 117.481 0.300 . . . . . A 82 LEU N . 25016 1 903 . 1 1 83 83 LYS H H 1 6.989 0.020 . . . . . A 83 LYS H . 25016 1 904 . 1 1 83 83 LYS HA H 1 3.851 0.020 . . . . . A 83 LYS HA . 25016 1 905 . 1 1 83 83 LYS HB2 H 1 1.592 0.020 . . . . . A 83 LYS HB2 . 25016 1 906 . 1 1 83 83 LYS HB3 H 1 1.592 0.020 . . . . . A 83 LYS HB3 . 25016 1 907 . 1 1 83 83 LYS HG2 H 1 1.354 0.020 . . . . . A 83 LYS HG2 . 25016 1 908 . 1 1 83 83 LYS HG3 H 1 1.354 0.020 . . . . . A 83 LYS HG3 . 25016 1 909 . 1 1 83 83 LYS HE2 H 1 2.617 0.020 . . . . . A 83 LYS HE2 . 25016 1 910 . 1 1 83 83 LYS HE3 H 1 2.617 0.020 . . . . . A 83 LYS HE3 . 25016 1 911 . 1 1 83 83 LYS CA C 13 57.531 0.300 . . . . . A 83 LYS CA . 25016 1 912 . 1 1 83 83 LYS CB C 13 32.111 0.300 . . . . . A 83 LYS CB . 25016 1 913 . 1 1 83 83 LYS CG C 13 24.941 0.300 . . . . . A 83 LYS CG . 25016 1 914 . 1 1 83 83 LYS N N 15 115.350 0.300 . . . . . A 83 LYS N . 25016 1 915 . 1 1 84 84 LEU H H 1 7.184 0.020 . . . . . A 84 LEU H . 25016 1 916 . 1 1 84 84 LEU HA H 1 3.816 0.020 . . . . . A 84 LEU HA . 25016 1 917 . 1 1 84 84 LEU HB2 H 1 1.490 0.020 . . . . . A 84 LEU HB2 . 25016 1 918 . 1 1 84 84 LEU HB3 H 1 1.025 0.020 . . . . . A 84 LEU HB3 . 25016 1 919 . 1 1 84 84 LEU HG H 1 1.468 0.020 . . . . . A 84 LEU HG . 25016 1 920 . 1 1 84 84 LEU HD11 H 1 0.580 0.020 . . . . . A 84 LEU HD11 . 25016 1 921 . 1 1 84 84 LEU HD12 H 1 0.580 0.020 . . . . . A 84 LEU HD12 . 25016 1 922 . 1 1 84 84 LEU HD13 H 1 0.580 0.020 . . . . . A 84 LEU HD13 . 25016 1 923 . 1 1 84 84 LEU HD21 H 1 0.580 0.020 . . . . . A 84 LEU HD21 . 25016 1 924 . 1 1 84 84 LEU HD22 H 1 0.580 0.020 . . . . . A 84 LEU HD22 . 25016 1 925 . 1 1 84 84 LEU HD23 H 1 0.580 0.020 . . . . . A 84 LEU HD23 . 25016 1 926 . 1 1 84 84 LEU CA C 13 55.220 0.300 . . . . . A 84 LEU CA . 25016 1 927 . 1 1 84 84 LEU CB C 13 40.608 0.300 . . . . . A 84 LEU CB . 25016 1 928 . 1 1 84 84 LEU CG C 13 26.531 0.300 . . . . . A 84 LEU CG . 25016 1 929 . 1 1 84 84 LEU CD1 C 13 24.949 0.300 . . . . . A 84 LEU CD1 . 25016 1 930 . 1 1 84 84 LEU CD2 C 13 22.008 0.300 . . . . . A 84 LEU CD2 . 25016 1 931 . 1 1 84 84 LEU N N 15 117.825 0.300 . . . . . A 84 LEU N . 25016 1 932 . 1 1 85 85 TYR H H 1 7.574 0.020 . . . . . A 85 TYR H . 25016 1 933 . 1 1 85 85 TYR HA H 1 4.168 0.020 . . . . . A 85 TYR HA . 25016 1 934 . 1 1 85 85 TYR HB2 H 1 2.573 0.020 . . . . . A 85 TYR HB2 . 25016 1 935 . 1 1 85 85 TYR HB3 H 1 2.573 0.020 . . . . . A 85 TYR HB3 . 25016 1 936 . 1 1 85 85 TYR HD1 H 1 6.916 0.020 . . . . . A 85 TYR HD1 . 25016 1 937 . 1 1 85 85 TYR HE1 H 1 6.384 0.020 . . . . . A 85 TYR HE1 . 25016 1 938 . 1 1 85 85 TYR CA C 13 57.646 0.300 . . . . . A 85 TYR CA . 25016 1 939 . 1 1 85 85 TYR CB C 13 39.633 0.300 . . . . . A 85 TYR CB . 25016 1 940 . 1 1 85 85 TYR CD1 C 13 133.532 0.300 . . . . . A 85 TYR CD1 . 25016 1 941 . 1 1 85 85 TYR CE1 C 13 118.052 0.300 . . . . . A 85 TYR CE1 . 25016 1 942 . 1 1 85 85 TYR N N 15 119.712 0.300 . . . . . A 85 TYR N . 25016 1 943 . 1 1 86 86 ASN H H 1 8.545 0.020 . . . . . A 86 ASN H . 25016 1 944 . 1 1 86 86 ASN HA H 1 4.443 0.020 . . . . . A 86 ASN HA . 25016 1 945 . 1 1 86 86 ASN HB2 H 1 2.550 0.020 . . . . . A 86 ASN HB2 . 25016 1 946 . 1 1 86 86 ASN HB3 H 1 2.550 0.020 . . . . . A 86 ASN HB3 . 25016 1 947 . 1 1 86 86 ASN HD21 H 1 7.372 0.020 . . . . . A 86 ASN HD21 . 25016 1 948 . 1 1 86 86 ASN HD22 H 1 6.691 0.020 . . . . . A 86 ASN HD22 . 25016 1 949 . 1 1 86 86 ASN CA C 13 53.882 0.300 . . . . . A 86 ASN CA . 25016 1 950 . 1 1 86 86 ASN CB C 13 38.740 0.300 . . . . . A 86 ASN CB . 25016 1 951 . 1 1 86 86 ASN N N 15 119.548 0.300 . . . . . A 86 ASN N . 25016 1 952 . 1 1 86 86 ASN ND2 N 15 113.463 0.300 . . . . . A 86 ASN ND2 . 25016 1 953 . 1 1 87 87 LYS H H 1 7.534 0.020 . . . . . A 87 LYS H . 25016 1 954 . 1 1 87 87 LYS HA H 1 4.398 0.020 . . . . . A 87 LYS HA . 25016 1 955 . 1 1 87 87 LYS HB2 H 1 1.621 0.020 . . . . . A 87 LYS HB2 . 25016 1 956 . 1 1 87 87 LYS HB3 H 1 1.451 0.020 . . . . . A 87 LYS HB3 . 25016 1 957 . 1 1 87 87 LYS HG2 H 1 1.111 0.020 . . . . . A 87 LYS HG2 . 25016 1 958 . 1 1 87 87 LYS HG3 H 1 0.954 0.020 . . . . . A 87 LYS HG3 . 25016 1 959 . 1 1 87 87 LYS HE2 H 1 2.571 0.020 . . . . . A 87 LYS HE2 . 25016 1 960 . 1 1 87 87 LYS HE3 H 1 2.571 0.020 . . . . . A 87 LYS HE3 . 25016 1 961 . 1 1 87 87 LYS CA C 13 54.108 0.300 . . . . . A 87 LYS CA . 25016 1 962 . 1 1 87 87 LYS CB C 13 34.673 0.300 . . . . . A 87 LYS CB . 25016 1 963 . 1 1 87 87 LYS CG C 13 23.102 0.300 . . . . . A 87 LYS CG . 25016 1 964 . 1 1 87 87 LYS N N 15 116.315 0.300 . . . . . A 87 LYS N . 25016 1 965 . 1 1 88 88 VAL H H 1 8.286 0.020 . . . . . A 88 VAL H . 25016 1 966 . 1 1 88 88 VAL HA H 1 3.523 0.020 . . . . . A 88 VAL HA . 25016 1 967 . 1 1 88 88 VAL HB H 1 1.658 0.020 . . . . . A 88 VAL HB . 25016 1 968 . 1 1 88 88 VAL HG11 H 1 0.733 0.020 . . . . . A 88 VAL HG11 . 25016 1 969 . 1 1 88 88 VAL HG12 H 1 0.733 0.020 . . . . . A 88 VAL HG12 . 25016 1 970 . 1 1 88 88 VAL HG13 H 1 0.733 0.020 . . . . . A 88 VAL HG13 . 25016 1 971 . 1 1 88 88 VAL HG21 H 1 0.484 0.020 . . . . . A 88 VAL HG21 . 25016 1 972 . 1 1 88 88 VAL HG22 H 1 0.484 0.020 . . . . . A 88 VAL HG22 . 25016 1 973 . 1 1 88 88 VAL HG23 H 1 0.484 0.020 . . . . . A 88 VAL HG23 . 25016 1 974 . 1 1 88 88 VAL CA C 13 61.786 0.300 . . . . . A 88 VAL CA . 25016 1 975 . 1 1 88 88 VAL CB C 13 32.351 0.300 . . . . . A 88 VAL CB . 25016 1 976 . 1 1 88 88 VAL CG1 C 13 20.849 0.300 . . . . . A 88 VAL CG1 . 25016 1 977 . 1 1 88 88 VAL CG2 C 13 23.444 0.300 . . . . . A 88 VAL CG2 . 25016 1 978 . 1 1 88 88 VAL N N 15 125.253 0.300 . . . . . A 88 VAL N . 25016 1 979 . 1 1 89 89 PRO HA H 1 4.408 0.020 . . . . . A 89 PRO HA . 25016 1 980 . 1 1 89 89 PRO HB2 H 1 2.212 0.020 . . . . . A 89 PRO HB2 . 25016 1 981 . 1 1 89 89 PRO HB3 H 1 2.212 0.020 . . . . . A 89 PRO HB3 . 25016 1 982 . 1 1 89 89 PRO HG2 H 1 1.716 0.020 . . . . . A 89 PRO HG2 . 25016 1 983 . 1 1 89 89 PRO HG3 H 1 1.716 0.020 . . . . . A 89 PRO HG3 . 25016 1 984 . 1 1 89 89 PRO HD2 H 1 3.602 0.020 . . . . . A 89 PRO HD2 . 25016 1 985 . 1 1 89 89 PRO HD3 H 1 3.602 0.020 . . . . . A 89 PRO HD3 . 25016 1 986 . 1 1 89 89 PRO CB C 13 29.924 0.300 . . . . . A 89 PRO CB . 25016 1 987 . 1 1 89 89 PRO CG C 13 27.757 0.300 . . . . . A 89 PRO CG . 25016 1 988 . 1 1 90 90 PRO HA H 1 4.386 0.020 . . . . . A 90 PRO HA . 25016 1 989 . 1 1 90 90 PRO HB2 H 1 2.204 0.020 . . . . . A 90 PRO HB2 . 25016 1 990 . 1 1 90 90 PRO HB3 H 1 2.204 0.020 . . . . . A 90 PRO HB3 . 25016 1 991 . 1 1 90 90 PRO HG2 H 1 1.858 0.020 . . . . . A 90 PRO HG2 . 25016 1 992 . 1 1 90 90 PRO HG3 H 1 1.858 0.020 . . . . . A 90 PRO HG3 . 25016 1 993 . 1 1 90 90 PRO HD2 H 1 3.603 0.020 . . . . . A 90 PRO HD2 . 25016 1 994 . 1 1 90 90 PRO HD3 H 1 3.603 0.020 . . . . . A 90 PRO HD3 . 25016 1 995 . 1 1 90 90 PRO CA C 13 65.780 0.300 . . . . . A 90 PRO CA . 25016 1 996 . 1 1 90 90 PRO CB C 13 29.635 0.300 . . . . . A 90 PRO CB . 25016 1 997 . 1 1 90 90 PRO CG C 13 27.767 0.300 . . . . . A 90 PRO CG . 25016 1 998 . 1 1 91 91 ASN H H 1 8.993 0.020 . . . . . A 91 ASN H . 25016 1 999 . 1 1 91 91 ASN HA H 1 4.437 0.020 . . . . . A 91 ASN HA . 25016 1 1000 . 1 1 91 91 ASN HB2 H 1 2.804 0.020 . . . . . A 91 ASN HB2 . 25016 1 1001 . 1 1 91 91 ASN HB3 H 1 2.429 0.020 . . . . . A 91 ASN HB3 . 25016 1 1002 . 1 1 91 91 ASN HD21 H 1 6.824 0.020 . . . . . A 91 ASN HD21 . 25016 1 1003 . 1 1 91 91 ASN HD22 H 1 6.024 0.020 . . . . . A 91 ASN HD22 . 25016 1 1004 . 1 1 91 91 ASN CA C 13 51.829 0.300 . . . . . A 91 ASN CA . 25016 1 1005 . 1 1 91 91 ASN CB C 13 37.168 0.300 . . . . . A 91 ASN CB . 25016 1 1006 . 1 1 91 91 ASN N N 15 112.710 0.300 . . . . . A 91 ASN N . 25016 1 1007 . 1 1 91 91 ASN ND2 N 15 107.349 0.300 . . . . . A 91 ASN ND2 . 25016 1 1008 . 1 1 92 92 GLY H H 1 7.739 0.020 . . . . . A 92 GLY H . 25016 1 1009 . 1 1 92 92 GLY HA2 H 1 4.210 0.020 . . . . . A 92 GLY HA2 . 25016 1 1010 . 1 1 92 92 GLY HA3 H 1 2.842 0.020 . . . . . A 92 GLY HA3 . 25016 1 1011 . 1 1 92 92 GLY CA C 13 43.010 0.300 . . . . . A 92 GLY CA . 25016 1 1012 . 1 1 92 92 GLY N N 15 108.770 0.300 . . . . . A 92 GLY N . 25016 1 1013 . 1 1 93 93 LEU H H 1 8.442 0.020 . . . . . A 93 LEU H . 25016 1 1014 . 1 1 93 93 LEU HA H 1 4.241 0.020 . . . . . A 93 LEU HA . 25016 1 1015 . 1 1 93 93 LEU HB2 H 1 1.079 0.020 . . . . . A 93 LEU HB2 . 25016 1 1016 . 1 1 93 93 LEU HB3 H 1 0.449 0.020 . . . . . A 93 LEU HB3 . 25016 1 1017 . 1 1 93 93 LEU HG H 1 0.707 0.020 . . . . . A 93 LEU HG . 25016 1 1018 . 1 1 93 93 LEU HD11 H 1 -0.340 0.020 . . . . . A 93 LEU HD11 . 25016 1 1019 . 1 1 93 93 LEU HD12 H 1 -0.340 0.020 . . . . . A 93 LEU HD12 . 25016 1 1020 . 1 1 93 93 LEU HD13 H 1 -0.340 0.020 . . . . . A 93 LEU HD13 . 25016 1 1021 . 1 1 93 93 LEU HD21 H 1 0.120 0.020 . . . . . A 93 LEU HD21 . 25016 1 1022 . 1 1 93 93 LEU HD22 H 1 0.120 0.020 . . . . . A 93 LEU HD22 . 25016 1 1023 . 1 1 93 93 LEU HD23 H 1 0.120 0.020 . . . . . A 93 LEU HD23 . 25016 1 1024 . 1 1 93 93 LEU CA C 13 53.811 0.300 . . . . . A 93 LEU CA . 25016 1 1025 . 1 1 93 93 LEU CB C 13 47.421 0.300 . . . . . A 93 LEU CB . 25016 1 1026 . 1 1 93 93 LEU CG C 13 26.499 0.300 . . . . . A 93 LEU CG . 25016 1 1027 . 1 1 93 93 LEU CD1 C 13 24.353 0.300 . . . . . A 93 LEU CD1 . 25016 1 1028 . 1 1 93 93 LEU CD2 C 13 22.426 0.300 . . . . . A 93 LEU CD2 . 25016 1 1029 . 1 1 93 93 LEU N N 15 117.532 0.300 . . . . . A 93 LEU N . 25016 1 1030 . 1 1 94 94 VAL H H 1 8.018 0.020 . . . . . A 94 VAL H . 25016 1 1031 . 1 1 94 94 VAL HA H 1 4.037 0.020 . . . . . A 94 VAL HA . 25016 1 1032 . 1 1 94 94 VAL HB H 1 0.424 0.020 . . . . . A 94 VAL HB . 25016 1 1033 . 1 1 94 94 VAL HG11 H 1 0.124 0.020 . . . . . A 94 VAL HG11 . 25016 1 1034 . 1 1 94 94 VAL HG12 H 1 0.124 0.020 . . . . . A 94 VAL HG12 . 25016 1 1035 . 1 1 94 94 VAL HG13 H 1 0.124 0.020 . . . . . A 94 VAL HG13 . 25016 1 1036 . 1 1 94 94 VAL HG21 H 1 0.124 0.020 . . . . . A 94 VAL HG21 . 25016 1 1037 . 1 1 94 94 VAL HG22 H 1 0.124 0.020 . . . . . A 94 VAL HG22 . 25016 1 1038 . 1 1 94 94 VAL HG23 H 1 0.124 0.020 . . . . . A 94 VAL HG23 . 25016 1 1039 . 1 1 94 94 VAL CA C 13 60.324 0.300 . . . . . A 94 VAL CA . 25016 1 1040 . 1 1 94 94 VAL CB C 13 32.168 0.300 . . . . . A 94 VAL CB . 25016 1 1041 . 1 1 94 94 VAL CG1 C 13 22.813 0.300 . . . . . A 94 VAL CG1 . 25016 1 1042 . 1 1 94 94 VAL CG2 C 13 20.825 0.300 . . . . . A 94 VAL CG2 . 25016 1 1043 . 1 1 94 94 VAL N N 15 126.272 0.300 . . . . . A 94 VAL N . 25016 1 1044 . 1 1 95 95 VAL H H 1 8.670 0.020 . . . . . A 95 VAL H . 25016 1 1045 . 1 1 95 95 VAL HA H 1 4.506 0.020 . . . . . A 95 VAL HA . 25016 1 1046 . 1 1 95 95 VAL HB H 1 1.631 0.020 . . . . . A 95 VAL HB . 25016 1 1047 . 1 1 95 95 VAL HG11 H 1 0.681 0.020 . . . . . A 95 VAL HG11 . 25016 1 1048 . 1 1 95 95 VAL HG12 H 1 0.681 0.020 . . . . . A 95 VAL HG12 . 25016 1 1049 . 1 1 95 95 VAL HG13 H 1 0.681 0.020 . . . . . A 95 VAL HG13 . 25016 1 1050 . 1 1 95 95 VAL HG21 H 1 0.368 0.020 . . . . . A 95 VAL HG21 . 25016 1 1051 . 1 1 95 95 VAL HG22 H 1 0.368 0.020 . . . . . A 95 VAL HG22 . 25016 1 1052 . 1 1 95 95 VAL HG23 H 1 0.368 0.020 . . . . . A 95 VAL HG23 . 25016 1 1053 . 1 1 95 95 VAL CA C 13 60.199 0.300 . . . . . A 95 VAL CA . 25016 1 1054 . 1 1 95 95 VAL CB C 13 35.248 0.300 . . . . . A 95 VAL CB . 25016 1 1055 . 1 1 95 95 VAL CG1 C 13 22.417 0.300 . . . . . A 95 VAL CG1 . 25016 1 1056 . 1 1 95 95 VAL CG2 C 13 20.275 0.300 . . . . . A 95 VAL CG2 . 25016 1 1057 . 1 1 95 95 VAL N N 15 125.681 0.300 . . . . . A 95 VAL N . 25016 1 1058 . 1 1 96 96 TYR H H 1 8.477 0.020 . . . . . A 96 TYR H . 25016 1 1059 . 1 1 96 96 TYR HA H 1 5.204 0.020 . . . . . A 96 TYR HA . 25016 1 1060 . 1 1 96 96 TYR HB2 H 1 1.706 0.020 . . . . . A 96 TYR HB2 . 25016 1 1061 . 1 1 96 96 TYR HB3 H 1 1.480 0.020 . . . . . A 96 TYR HB3 . 25016 1 1062 . 1 1 96 96 TYR HD1 H 1 6.685 0.020 . . . . . A 96 TYR HD1 . 25016 1 1063 . 1 1 96 96 TYR HE1 H 1 6.352 0.020 . . . . . A 96 TYR HE1 . 25016 1 1064 . 1 1 96 96 TYR HH H 1 7.336 0.020 . . . . . A 96 TYR HH . 25016 1 1065 . 1 1 96 96 TYR CA C 13 56.257 0.300 . . . . . A 96 TYR CA . 25016 1 1066 . 1 1 96 96 TYR CB C 13 40.213 0.300 . . . . . A 96 TYR CB . 25016 1 1067 . 1 1 96 96 TYR CD1 C 13 133.280 0.300 . . . . . A 96 TYR CD1 . 25016 1 1068 . 1 1 96 96 TYR CE1 C 13 117.145 0.300 . . . . . A 96 TYR CE1 . 25016 1 1069 . 1 1 96 96 TYR N N 15 123.688 0.300 . . . . . A 96 TYR N . 25016 1 1070 . 1 1 97 97 CYS H H 1 8.465 0.020 . . . . . A 97 CYS H . 25016 1 1071 . 1 1 97 97 CYS HA H 1 5.495 0.020 . . . . . A 97 CYS HA . 25016 1 1072 . 1 1 97 97 CYS HB2 H 1 2.540 0.020 . . . . . A 97 CYS HB2 . 25016 1 1073 . 1 1 97 97 CYS HB3 H 1 2.540 0.020 . . . . . A 97 CYS HB3 . 25016 1 1074 . 1 1 97 97 CYS CA C 13 56.360 0.300 . . . . . A 97 CYS CA . 25016 1 1075 . 1 1 97 97 CYS CB C 13 31.857 0.300 . . . . . A 97 CYS CB . 25016 1 1076 . 1 1 97 97 CYS N N 15 120.223 0.300 . . . . . A 97 CYS N . 25016 1 1077 . 1 1 98 98 GLY H H 1 8.754 0.020 . . . . . A 98 GLY H . 25016 1 1078 . 1 1 98 98 GLY HA2 H 1 4.282 0.020 . . . . . A 98 GLY HA2 . 25016 1 1079 . 1 1 98 98 GLY HA3 H 1 4.282 0.020 . . . . . A 98 GLY HA3 . 25016 1 1080 . 1 1 98 98 GLY CA C 13 45.827 0.300 . . . . . A 98 GLY CA . 25016 1 1081 . 1 1 98 98 GLY N N 15 113.060 0.300 . . . . . A 98 GLY N . 25016 1 1082 . 1 1 99 99 THR H H 1 7.965 0.020 . . . . . A 99 THR H . 25016 1 1083 . 1 1 99 99 THR HA H 1 4.625 0.020 . . . . . A 99 THR HA . 25016 1 1084 . 1 1 99 99 THR HB H 1 3.694 0.020 . . . . . A 99 THR HB . 25016 1 1085 . 1 1 99 99 THR HG21 H 1 0.838 0.020 . . . . . A 99 THR HG21 . 25016 1 1086 . 1 1 99 99 THR HG22 H 1 0.838 0.020 . . . . . A 99 THR HG22 . 25016 1 1087 . 1 1 99 99 THR HG23 H 1 0.838 0.020 . . . . . A 99 THR HG23 . 25016 1 1088 . 1 1 99 99 THR CA C 13 62.220 0.300 . . . . . A 99 THR CA . 25016 1 1089 . 1 1 99 99 THR CG2 C 13 21.862 0.300 . . . . . A 99 THR CG2 . 25016 1 1090 . 1 1 99 99 THR N N 15 118.974 0.300 . . . . . A 99 THR N . 25016 1 1091 . 1 1 100 100 ILE H H 1 8.768 0.020 . . . . . A 100 ILE H . 25016 1 1092 . 1 1 100 100 ILE HA H 1 4.359 0.020 . . . . . A 100 ILE HA . 25016 1 1093 . 1 1 100 100 ILE HB H 1 1.710 0.020 . . . . . A 100 ILE HB . 25016 1 1094 . 1 1 100 100 ILE HG12 H 1 1.093 0.020 . . . . . A 100 ILE HG12 . 25016 1 1095 . 1 1 100 100 ILE HG13 H 1 0.763 0.020 . . . . . A 100 ILE HG13 . 25016 1 1096 . 1 1 100 100 ILE HG21 H 1 0.473 0.020 . . . . . A 100 ILE HG21 . 25016 1 1097 . 1 1 100 100 ILE HG22 H 1 0.473 0.020 . . . . . A 100 ILE HG22 . 25016 1 1098 . 1 1 100 100 ILE HG23 H 1 0.473 0.020 . . . . . A 100 ILE HG23 . 25016 1 1099 . 1 1 100 100 ILE HD11 H 1 0.541 0.020 . . . . . A 100 ILE HD11 . 25016 1 1100 . 1 1 100 100 ILE HD12 H 1 0.541 0.020 . . . . . A 100 ILE HD12 . 25016 1 1101 . 1 1 100 100 ILE HD13 H 1 0.541 0.020 . . . . . A 100 ILE HD13 . 25016 1 1102 . 1 1 100 100 ILE CA C 13 58.770 0.300 . . . . . A 100 ILE CA . 25016 1 1103 . 1 1 100 100 ILE CB C 13 40.261 0.300 . . . . . A 100 ILE CB . 25016 1 1104 . 1 1 100 100 ILE CG1 C 13 26.495 0.300 . . . . . A 100 ILE CG1 . 25016 1 1105 . 1 1 100 100 ILE CG2 C 13 17.832 0.300 . . . . . A 100 ILE CG2 . 25016 1 1106 . 1 1 100 100 ILE CD1 C 13 14.017 0.300 . . . . . A 100 ILE CD1 . 25016 1 1107 . 1 1 100 100 ILE N N 15 123.363 0.300 . . . . . A 100 ILE N . 25016 1 1108 . 1 1 101 101 VAL H H 1 8.259 0.020 . . . . . A 101 VAL H . 25016 1 1109 . 1 1 101 101 VAL HA H 1 4.608 0.020 . . . . . A 101 VAL HA . 25016 1 1110 . 1 1 101 101 VAL HB H 1 1.506 0.020 . . . . . A 101 VAL HB . 25016 1 1111 . 1 1 101 101 VAL HG11 H 1 0.593 0.020 . . . . . A 101 VAL HG11 . 25016 1 1112 . 1 1 101 101 VAL HG12 H 1 0.593 0.020 . . . . . A 101 VAL HG12 . 25016 1 1113 . 1 1 101 101 VAL HG13 H 1 0.593 0.020 . . . . . A 101 VAL HG13 . 25016 1 1114 . 1 1 101 101 VAL HG21 H 1 0.593 0.020 . . . . . A 101 VAL HG21 . 25016 1 1115 . 1 1 101 101 VAL HG22 H 1 0.593 0.020 . . . . . A 101 VAL HG22 . 25016 1 1116 . 1 1 101 101 VAL HG23 H 1 0.593 0.020 . . . . . A 101 VAL HG23 . 25016 1 1117 . 1 1 101 101 VAL CA C 13 60.509 0.300 . . . . . A 101 VAL CA . 25016 1 1118 . 1 1 101 101 VAL CB C 13 32.910 0.300 . . . . . A 101 VAL CB . 25016 1 1119 . 1 1 101 101 VAL CG1 C 13 20.605 0.300 . . . . . A 101 VAL CG1 . 25016 1 1120 . 1 1 101 101 VAL CG2 C 13 20.737 0.300 . . . . . A 101 VAL CG2 . 25016 1 1121 . 1 1 101 101 VAL N N 15 121.580 0.300 . . . . . A 101 VAL N . 25016 1 1122 . 1 1 102 102 THR H H 1 8.791 0.020 . . . . . A 102 THR H . 25016 1 1123 . 1 1 102 102 THR HA H 1 4.561 0.020 . . . . . A 102 THR HA . 25016 1 1124 . 1 1 102 102 THR HB H 1 4.278 0.020 . . . . . A 102 THR HB . 25016 1 1125 . 1 1 102 102 THR HG21 H 1 0.966 0.020 . . . . . A 102 THR HG21 . 25016 1 1126 . 1 1 102 102 THR HG22 H 1 0.966 0.020 . . . . . A 102 THR HG22 . 25016 1 1127 . 1 1 102 102 THR HG23 H 1 0.966 0.020 . . . . . A 102 THR HG23 . 25016 1 1128 . 1 1 102 102 THR CA C 13 60.416 0.300 . . . . . A 102 THR CA . 25016 1 1129 . 1 1 102 102 THR CG2 C 13 21.529 0.300 . . . . . A 102 THR CG2 . 25016 1 1130 . 1 1 102 102 THR N N 15 118.873 0.300 . . . . . A 102 THR N . 25016 1 1131 . 1 1 103 103 GLU H H 1 9.156 0.020 . . . . . A 103 GLU H . 25016 1 1132 . 1 1 103 103 GLU HA H 1 4.479 0.020 . . . . . A 103 GLU HA . 25016 1 1133 . 1 1 103 103 GLU HB2 H 1 1.811 0.020 . . . . . A 103 GLU HB2 . 25016 1 1134 . 1 1 103 103 GLU HB3 H 1 1.811 0.020 . . . . . A 103 GLU HB3 . 25016 1 1135 . 1 1 103 103 GLU HG2 H 1 2.094 0.020 . . . . . A 103 GLU HG2 . 25016 1 1136 . 1 1 103 103 GLU HG3 H 1 2.094 0.020 . . . . . A 103 GLU HG3 . 25016 1 1137 . 1 1 103 103 GLU CA C 13 58.930 0.300 . . . . . A 103 GLU CA . 25016 1 1138 . 1 1 103 103 GLU CB C 13 28.721 0.300 . . . . . A 103 GLU CB . 25016 1 1139 . 1 1 103 103 GLU CG C 13 36.197 0.300 . . . . . A 103 GLU CG . 25016 1 1140 . 1 1 103 103 GLU N N 15 121.933 0.300 . . . . . A 103 GLU N . 25016 1 1141 . 1 1 104 104 GLU H H 1 7.650 0.020 . . . . . A 104 GLU H . 25016 1 1142 . 1 1 104 104 GLU HA H 1 4.101 0.020 . . . . . A 104 GLU HA . 25016 1 1143 . 1 1 104 104 GLU HB2 H 1 1.888 0.020 . . . . . A 104 GLU HB2 . 25016 1 1144 . 1 1 104 104 GLU HB3 H 1 1.600 0.020 . . . . . A 104 GLU HB3 . 25016 1 1145 . 1 1 104 104 GLU HG2 H 1 1.955 0.020 . . . . . A 104 GLU HG2 . 25016 1 1146 . 1 1 104 104 GLU HG3 H 1 1.955 0.020 . . . . . A 104 GLU HG3 . 25016 1 1147 . 1 1 104 104 GLU CA C 13 56.209 0.300 . . . . . A 104 GLU CA . 25016 1 1148 . 1 1 104 104 GLU CB C 13 29.636 0.300 . . . . . A 104 GLU CB . 25016 1 1149 . 1 1 104 104 GLU CG C 13 36.345 0.300 . . . . . A 104 GLU CG . 25016 1 1150 . 1 1 104 104 GLU N N 15 116.040 0.300 . . . . . A 104 GLU N . 25016 1 1151 . 1 1 105 105 GLY H H 1 7.973 0.020 . . . . . A 105 GLY H . 25016 1 1152 . 1 1 105 105 GLY HA2 H 1 3.874 0.020 . . . . . A 105 GLY HA2 . 25016 1 1153 . 1 1 105 105 GLY HA3 H 1 3.280 0.020 . . . . . A 105 GLY HA3 . 25016 1 1154 . 1 1 105 105 GLY CA C 13 45.176 0.300 . . . . . A 105 GLY CA . 25016 1 1155 . 1 1 105 105 GLY N N 15 109.125 0.300 . . . . . A 105 GLY N . 25016 1 1156 . 1 1 106 106 LYS H H 1 6.875 0.020 . . . . . A 106 LYS H . 25016 1 1157 . 1 1 106 106 LYS HA H 1 4.253 0.020 . . . . . A 106 LYS HA . 25016 1 1158 . 1 1 106 106 LYS HB2 H 1 1.569 0.020 . . . . . A 106 LYS HB2 . 25016 1 1159 . 1 1 106 106 LYS HB3 H 1 1.396 0.020 . . . . . A 106 LYS HB3 . 25016 1 1160 . 1 1 106 106 LYS HG2 H 1 1.030 0.020 . . . . . A 106 LYS HG2 . 25016 1 1161 . 1 1 106 106 LYS HG3 H 1 1.030 0.020 . . . . . A 106 LYS HG3 . 25016 1 1162 . 1 1 106 106 LYS CA C 13 54.501 0.300 . . . . . A 106 LYS CA . 25016 1 1163 . 1 1 106 106 LYS CB C 13 33.369 0.300 . . . . . A 106 LYS CB . 25016 1 1164 . 1 1 106 106 LYS CG C 13 24.927 0.300 . . . . . A 106 LYS CG . 25016 1 1165 . 1 1 106 106 LYS CD C 13 28.426 0.300 . . . . . A 106 LYS CD . 25016 1 1166 . 1 1 106 106 LYS N N 15 119.640 0.300 . . . . . A 106 LYS N . 25016 1 1167 . 1 1 107 107 GLU H H 1 8.275 0.020 . . . . . A 107 GLU H . 25016 1 1168 . 1 1 107 107 GLU HA H 1 4.896 0.020 . . . . . A 107 GLU HA . 25016 1 1169 . 1 1 107 107 GLU HB2 H 1 1.635 0.020 . . . . . A 107 GLU HB2 . 25016 1 1170 . 1 1 107 107 GLU HB3 H 1 1.505 0.020 . . . . . A 107 GLU HB3 . 25016 1 1171 . 1 1 107 107 GLU HG2 H 1 2.060 0.020 . . . . . A 107 GLU HG2 . 25016 1 1172 . 1 1 107 107 GLU HG3 H 1 1.752 0.020 . . . . . A 107 GLU HG3 . 25016 1 1173 . 1 1 107 107 GLU CA C 13 55.470 0.300 . . . . . A 107 GLU CA . 25016 1 1174 . 1 1 107 107 GLU CB C 13 31.293 0.300 . . . . . A 107 GLU CB . 25016 1 1175 . 1 1 107 107 GLU CG C 13 37.000 0.300 . . . . . A 107 GLU CG . 25016 1 1176 . 1 1 107 107 GLU N N 15 121.679 0.300 . . . . . A 107 GLU N . 25016 1 1177 . 1 1 108 108 LYS H H 1 8.819 0.020 . . . . . A 108 LYS H . 25016 1 1178 . 1 1 108 108 LYS HA H 1 4.370 0.020 . . . . . A 108 LYS HA . 25016 1 1179 . 1 1 108 108 LYS HB2 H 1 1.384 0.020 . . . . . A 108 LYS HB2 . 25016 1 1180 . 1 1 108 108 LYS HB3 H 1 1.384 0.020 . . . . . A 108 LYS HB3 . 25016 1 1181 . 1 1 108 108 LYS HG2 H 1 1.070 0.020 . . . . . A 108 LYS HG2 . 25016 1 1182 . 1 1 108 108 LYS HG3 H 1 0.964 0.020 . . . . . A 108 LYS HG3 . 25016 1 1183 . 1 1 108 108 LYS CA C 13 54.922 0.300 . . . . . A 108 LYS CA . 25016 1 1184 . 1 1 108 108 LYS CB C 13 35.915 0.300 . . . . . A 108 LYS CB . 25016 1 1185 . 1 1 108 108 LYS CG C 13 24.367 0.300 . . . . . A 108 LYS CG . 25016 1 1186 . 1 1 108 108 LYS CD C 13 29.297 0.300 . . . . . A 108 LYS CD . 25016 1 1187 . 1 1 108 108 LYS N N 15 125.023 0.300 . . . . . A 108 LYS N . 25016 1 1188 . 1 1 109 109 LYS H H 1 8.490 0.020 . . . . . A 109 LYS H . 25016 1 1189 . 1 1 109 109 LYS HA H 1 4.568 0.020 . . . . . A 109 LYS HA . 25016 1 1190 . 1 1 109 109 LYS HB2 H 1 1.516 0.020 . . . . . A 109 LYS HB2 . 25016 1 1191 . 1 1 109 109 LYS HB3 H 1 1.516 0.020 . . . . . A 109 LYS HB3 . 25016 1 1192 . 1 1 109 109 LYS HG2 H 1 1.230 0.020 . . . . . A 109 LYS HG2 . 25016 1 1193 . 1 1 109 109 LYS CA C 13 55.698 0.300 . . . . . A 109 LYS CA . 25016 1 1194 . 1 1 109 109 LYS CB C 13 32.411 0.300 . . . . . A 109 LYS CB . 25016 1 1195 . 1 1 109 109 LYS CG C 13 24.817 0.300 . . . . . A 109 LYS CG . 25016 1 1196 . 1 1 109 109 LYS CD C 13 28.704 0.300 . . . . . A 109 LYS CD . 25016 1 1197 . 1 1 109 109 LYS N N 15 125.430 0.300 . . . . . A 109 LYS N . 25016 1 1198 . 1 1 110 110 VAL H H 1 8.739 0.020 . . . . . A 110 VAL H . 25016 1 1199 . 1 1 110 110 VAL HA H 1 4.035 0.020 . . . . . A 110 VAL HA . 25016 1 1200 . 1 1 110 110 VAL HB H 1 1.766 0.020 . . . . . A 110 VAL HB . 25016 1 1201 . 1 1 110 110 VAL HG11 H 1 0.647 0.020 . . . . . A 110 VAL HG11 . 25016 1 1202 . 1 1 110 110 VAL HG12 H 1 0.647 0.020 . . . . . A 110 VAL HG12 . 25016 1 1203 . 1 1 110 110 VAL HG13 H 1 0.647 0.020 . . . . . A 110 VAL HG13 . 25016 1 1204 . 1 1 110 110 VAL CA C 13 61.326 0.300 . . . . . A 110 VAL CA . 25016 1 1205 . 1 1 110 110 VAL CB C 13 34.190 0.300 . . . . . A 110 VAL CB . 25016 1 1206 . 1 1 110 110 VAL CG1 C 13 20.929 0.300 . . . . . A 110 VAL CG1 . 25016 1 1207 . 1 1 110 110 VAL CG2 C 13 20.541 0.300 . . . . . A 110 VAL CG2 . 25016 1 1208 . 1 1 110 110 VAL N N 15 125.082 0.300 . . . . . A 110 VAL N . 25016 1 1209 . 1 1 111 111 ASN H H 1 8.619 0.020 . . . . . A 111 ASN H . 25016 1 1210 . 1 1 111 111 ASN HA H 1 5.217 0.020 . . . . . A 111 ASN HA . 25016 1 1211 . 1 1 111 111 ASN HB2 H 1 2.428 0.020 . . . . . A 111 ASN HB2 . 25016 1 1212 . 1 1 111 111 ASN HB3 H 1 2.428 0.020 . . . . . A 111 ASN HB3 . 25016 1 1213 . 1 1 111 111 ASN HD21 H 1 7.380 0.020 . . . . . A 111 ASN HD21 . 25016 1 1214 . 1 1 111 111 ASN HD22 H 1 6.132 0.020 . . . . . A 111 ASN HD22 . 25016 1 1215 . 1 1 111 111 ASN CA C 13 53.146 0.300 . . . . . A 111 ASN CA . 25016 1 1216 . 1 1 111 111 ASN CB C 13 40.559 0.300 . . . . . A 111 ASN CB . 25016 1 1217 . 1 1 111 111 ASN N N 15 126.473 0.300 . . . . . A 111 ASN N . 25016 1 1218 . 1 1 111 111 ASN ND2 N 15 110.965 0.300 . . . . . A 111 ASN ND2 . 25016 1 1219 . 1 1 112 112 ILE H H 1 8.865 0.020 . . . . . A 112 ILE H . 25016 1 1220 . 1 1 112 112 ILE HA H 1 4.289 0.020 . . . . . A 112 ILE HA . 25016 1 1221 . 1 1 112 112 ILE HB H 1 1.722 0.020 . . . . . A 112 ILE HB . 25016 1 1222 . 1 1 112 112 ILE HG12 H 1 1.316 0.020 . . . . . A 112 ILE HG12 . 25016 1 1223 . 1 1 112 112 ILE HG13 H 1 0.941 0.020 . . . . . A 112 ILE HG13 . 25016 1 1224 . 1 1 112 112 ILE HG21 H 1 0.835 0.020 . . . . . A 112 ILE HG21 . 25016 1 1225 . 1 1 112 112 ILE HG22 H 1 0.835 0.020 . . . . . A 112 ILE HG22 . 25016 1 1226 . 1 1 112 112 ILE HG23 H 1 0.835 0.020 . . . . . A 112 ILE HG23 . 25016 1 1227 . 1 1 112 112 ILE HD11 H 1 0.565 0.020 . . . . . A 112 ILE HD11 . 25016 1 1228 . 1 1 112 112 ILE HD12 H 1 0.565 0.020 . . . . . A 112 ILE HD12 . 25016 1 1229 . 1 1 112 112 ILE HD13 H 1 0.565 0.020 . . . . . A 112 ILE HD13 . 25016 1 1230 . 1 1 112 112 ILE CA C 13 60.032 0.300 . . . . . A 112 ILE CA . 25016 1 1231 . 1 1 112 112 ILE CB C 13 41.496 0.300 . . . . . A 112 ILE CB . 25016 1 1232 . 1 1 112 112 ILE CG1 C 13 27.456 0.300 . . . . . A 112 ILE CG1 . 25016 1 1233 . 1 1 112 112 ILE CG2 C 13 17.175 0.300 . . . . . A 112 ILE CG2 . 25016 1 1234 . 1 1 112 112 ILE CD1 C 13 13.706 0.300 . . . . . A 112 ILE CD1 . 25016 1 1235 . 1 1 112 112 ILE N N 15 126.158 0.300 . . . . . A 112 ILE N . 25016 1 1236 . 1 1 113 113 ASP H H 1 8.014 0.020 . . . . . A 113 ASP H . 25016 1 1237 . 1 1 113 113 ASP HA H 1 5.619 0.020 . . . . . A 113 ASP HA . 25016 1 1238 . 1 1 113 113 ASP HB2 H 1 2.349 0.020 . . . . . A 113 ASP HB2 . 25016 1 1239 . 1 1 113 113 ASP HB3 H 1 2.056 0.020 . . . . . A 113 ASP HB3 . 25016 1 1240 . 1 1 113 113 ASP CA C 13 52.091 0.300 . . . . . A 113 ASP CA . 25016 1 1241 . 1 1 113 113 ASP CB C 13 43.707 0.300 . . . . . A 113 ASP CB . 25016 1 1242 . 1 1 113 113 ASP N N 15 122.570 0.300 . . . . . A 113 ASP N . 25016 1 1243 . 1 1 114 114 PHE H H 1 8.569 0.020 . . . . . A 114 PHE H . 25016 1 1244 . 1 1 114 114 PHE HA H 1 4.584 0.020 . . . . . A 114 PHE HA . 25016 1 1245 . 1 1 114 114 PHE HB2 H 1 3.127 0.020 . . . . . A 114 PHE HB2 . 25016 1 1246 . 1 1 114 114 PHE HB3 H 1 2.671 0.020 . . . . . A 114 PHE HB3 . 25016 1 1247 . 1 1 114 114 PHE HD1 H 1 6.602 0.020 . . . . . A 114 PHE HD1 . 25016 1 1248 . 1 1 114 114 PHE HE1 H 1 6.748 0.020 . . . . . A 114 PHE HE1 . 25016 1 1249 . 1 1 114 114 PHE HZ H 1 6.791 0.020 . . . . . A 114 PHE HZ . 25016 1 1250 . 1 1 114 114 PHE CA C 13 56.507 0.300 . . . . . A 114 PHE CA . 25016 1 1251 . 1 1 114 114 PHE CB C 13 39.707 0.300 . . . . . A 114 PHE CB . 25016 1 1252 . 1 1 114 114 PHE CD1 C 13 133.079 0.300 . . . . . A 114 PHE CD1 . 25016 1 1253 . 1 1 114 114 PHE CE1 C 13 129.882 0.300 . . . . . A 114 PHE CE1 . 25016 1 1254 . 1 1 114 114 PHE CZ C 13 128.414 0.300 . . . . . A 114 PHE CZ . 25016 1 1255 . 1 1 114 114 PHE N N 15 116.367 0.300 . . . . . A 114 PHE N . 25016 1 1256 . 1 1 115 115 GLU H H 1 8.486 0.020 . . . . . A 115 GLU H . 25016 1 1257 . 1 1 115 115 GLU HA H 1 4.605 0.020 . . . . . A 115 GLU HA . 25016 1 1258 . 1 1 115 115 GLU HB2 H 1 1.554 0.020 . . . . . A 115 GLU HB2 . 25016 1 1259 . 1 1 115 115 GLU HB3 H 1 1.554 0.020 . . . . . A 115 GLU HB3 . 25016 1 1260 . 1 1 115 115 GLU HG2 H 1 1.909 0.020 . . . . . A 115 GLU HG2 . 25016 1 1261 . 1 1 115 115 GLU HG3 H 1 1.909 0.020 . . . . . A 115 GLU HG3 . 25016 1 1262 . 1 1 115 115 GLU CA C 13 51.719 0.300 . . . . . A 115 GLU CA . 25016 1 1263 . 1 1 115 115 GLU CB C 13 32.786 0.300 . . . . . A 115 GLU CB . 25016 1 1264 . 1 1 115 115 GLU N N 15 124.580 0.300 . . . . . A 115 GLU N . 25016 1 1265 . 1 1 116 116 PRO HA H 1 4.718 0.020 . . . . . A 116 PRO HA . 25016 1 1266 . 1 1 116 116 PRO HB2 H 1 2.109 0.020 . . . . . A 116 PRO HB2 . 25016 1 1267 . 1 1 116 116 PRO HB3 H 1 2.109 0.020 . . . . . A 116 PRO HB3 . 25016 1 1268 . 1 1 116 116 PRO HG2 H 1 1.835 0.020 . . . . . A 116 PRO HG2 . 25016 1 1269 . 1 1 116 116 PRO HG3 H 1 1.835 0.020 . . . . . A 116 PRO HG3 . 25016 1 1270 . 1 1 116 116 PRO CA C 13 62.210 0.300 . . . . . A 116 PRO CA . 25016 1 1271 . 1 1 116 116 PRO CB C 13 32.140 0.300 . . . . . A 116 PRO CB . 25016 1 1272 . 1 1 116 116 PRO CG C 13 27.145 0.300 . . . . . A 116 PRO CG . 25016 1 1273 . 1 1 117 117 PHE H H 1 7.493 0.020 . . . . . A 117 PHE H . 25016 1 1274 . 1 1 117 117 PHE HA H 1 4.424 0.020 . . . . . A 117 PHE HA . 25016 1 1275 . 1 1 117 117 PHE HB2 H 1 3.061 0.020 . . . . . A 117 PHE HB2 . 25016 1 1276 . 1 1 117 117 PHE HB3 H 1 2.785 0.020 . . . . . A 117 PHE HB3 . 25016 1 1277 . 1 1 117 117 PHE HD1 H 1 6.984 0.020 . . . . . A 117 PHE HD1 . 25016 1 1278 . 1 1 117 117 PHE HE1 H 1 6.968 0.020 . . . . . A 117 PHE HE1 . 25016 1 1279 . 1 1 117 117 PHE HZ H 1 6.948 0.020 . . . . . A 117 PHE HZ . 25016 1 1280 . 1 1 117 117 PHE CA C 13 58.579 0.300 . . . . . A 117 PHE CA . 25016 1 1281 . 1 1 117 117 PHE CB C 13 38.688 0.300 . . . . . A 117 PHE CB . 25016 1 1282 . 1 1 117 117 PHE CD1 C 13 132.491 0.300 . . . . . A 117 PHE CD1 . 25016 1 1283 . 1 1 117 117 PHE CE1 C 13 131.413 0.300 . . . . . A 117 PHE CE1 . 25016 1 1284 . 1 1 117 117 PHE CZ C 13 130.382 0.300 . . . . . A 117 PHE CZ . 25016 1 1285 . 1 1 117 117 PHE N N 15 116.323 0.300 . . . . . A 117 PHE N . 25016 1 1286 . 1 1 118 118 LYS H H 1 6.791 0.020 . . . . . A 118 LYS H . 25016 1 1287 . 1 1 118 118 LYS HA H 1 4.125 0.020 . . . . . A 118 LYS HA . 25016 1 1288 . 1 1 118 118 LYS HB2 H 1 1.327 0.020 . . . . . A 118 LYS HB2 . 25016 1 1289 . 1 1 118 118 LYS HB3 H 1 0.978 0.020 . . . . . A 118 LYS HB3 . 25016 1 1290 . 1 1 118 118 LYS HG2 H 1 0.575 0.020 . . . . . A 118 LYS HG2 . 25016 1 1291 . 1 1 118 118 LYS HG3 H 1 0.575 0.020 . . . . . A 118 LYS HG3 . 25016 1 1292 . 1 1 118 118 LYS HE2 H 1 2.642 0.020 . . . . . A 118 LYS HE2 . 25016 1 1293 . 1 1 118 118 LYS HE3 H 1 2.642 0.020 . . . . . A 118 LYS HE3 . 25016 1 1294 . 1 1 118 118 LYS CA C 13 52.477 0.300 . . . . . A 118 LYS CA . 25016 1 1295 . 1 1 118 118 LYS CB C 13 33.875 0.300 . . . . . A 118 LYS CB . 25016 1 1296 . 1 1 118 118 LYS CG C 13 23.988 0.300 . . . . . A 118 LYS CG . 25016 1 1297 . 1 1 118 118 LYS N N 15 119.083 0.300 . . . . . A 118 LYS N . 25016 1 1298 . 1 1 119 119 PRO HA H 1 4.320 0.020 . . . . . A 119 PRO HA . 25016 1 1299 . 1 1 119 119 PRO HB2 H 1 1.783 0.020 . . . . . A 119 PRO HB2 . 25016 1 1300 . 1 1 119 119 PRO HB3 H 1 1.783 0.020 . . . . . A 119 PRO HB3 . 25016 1 1301 . 1 1 119 119 PRO HG2 H 1 1.725 0.020 . . . . . A 119 PRO HG2 . 25016 1 1302 . 1 1 119 119 PRO HG3 H 1 1.725 0.020 . . . . . A 119 PRO HG3 . 25016 1 1303 . 1 1 119 119 PRO HD2 H 1 3.206 0.020 . . . . . A 119 PRO HD2 . 25016 1 1304 . 1 1 119 119 PRO HD3 H 1 3.206 0.020 . . . . . A 119 PRO HD3 . 25016 1 1305 . 1 1 119 119 PRO CB C 13 31.861 0.300 . . . . . A 119 PRO CB . 25016 1 1306 . 1 1 119 119 PRO CG C 13 27.168 0.300 . . . . . A 119 PRO CG . 25016 1 1307 . 1 1 120 120 ILE H H 1 7.460 0.020 . . . . . A 120 ILE H . 25016 1 1308 . 1 1 120 120 ILE HA H 1 3.928 0.020 . . . . . A 120 ILE HA . 25016 1 1309 . 1 1 120 120 ILE HB H 1 1.355 0.020 . . . . . A 120 ILE HB . 25016 1 1310 . 1 1 120 120 ILE HG12 H 1 1.297 0.020 . . . . . A 120 ILE HG12 . 25016 1 1311 . 1 1 120 120 ILE HG13 H 1 0.795 0.020 . . . . . A 120 ILE HG13 . 25016 1 1312 . 1 1 120 120 ILE HG21 H 1 0.688 0.020 . . . . . A 120 ILE HG21 . 25016 1 1313 . 1 1 120 120 ILE HG22 H 1 0.688 0.020 . . . . . A 120 ILE HG22 . 25016 1 1314 . 1 1 120 120 ILE HG23 H 1 0.688 0.020 . . . . . A 120 ILE HG23 . 25016 1 1315 . 1 1 120 120 ILE HD11 H 1 0.481 0.020 . . . . . A 120 ILE HD11 . 25016 1 1316 . 1 1 120 120 ILE HD12 H 1 0.481 0.020 . . . . . A 120 ILE HD12 . 25016 1 1317 . 1 1 120 120 ILE HD13 H 1 0.481 0.020 . . . . . A 120 ILE HD13 . 25016 1 1318 . 1 1 120 120 ILE CA C 13 59.720 0.300 . . . . . A 120 ILE CA . 25016 1 1319 . 1 1 120 120 ILE CB C 13 39.643 0.300 . . . . . A 120 ILE CB . 25016 1 1320 . 1 1 120 120 ILE CG1 C 13 27.648 0.300 . . . . . A 120 ILE CG1 . 25016 1 1321 . 1 1 120 120 ILE CG2 C 13 17.567 0.300 . . . . . A 120 ILE CG2 . 25016 1 1322 . 1 1 120 120 ILE CD1 C 13 14.027 0.300 . . . . . A 120 ILE CD1 . 25016 1 1323 . 1 1 120 120 ILE N N 15 122.437 0.300 . . . . . A 120 ILE N . 25016 1 1324 . 1 1 121 121 ASN H H 1 8.021 0.020 . . . . . A 121 ASN H . 25016 1 1325 . 1 1 121 121 ASN HA H 1 4.586 0.020 . . . . . A 121 ASN HA . 25016 1 1326 . 1 1 121 121 ASN HB2 H 1 2.578 0.020 . . . . . A 121 ASN HB2 . 25016 1 1327 . 1 1 121 121 ASN HB3 H 1 2.303 0.020 . . . . . A 121 ASN HB3 . 25016 1 1328 . 1 1 121 121 ASN HD21 H 1 7.239 0.020 . . . . . A 121 ASN HD21 . 25016 1 1329 . 1 1 121 121 ASN HD22 H 1 6.467 0.020 . . . . . A 121 ASN HD22 . 25016 1 1330 . 1 1 121 121 ASN CA C 13 52.958 0.300 . . . . . A 121 ASN CA . 25016 1 1331 . 1 1 121 121 ASN CB C 13 38.957 0.300 . . . . . A 121 ASN CB . 25016 1 1332 . 1 1 121 121 ASN N N 15 121.967 0.300 . . . . . A 121 ASN N . 25016 1 1333 . 1 1 121 121 ASN ND2 N 15 112.904 0.300 . . . . . A 121 ASN ND2 . 25016 1 1334 . 1 1 122 122 THR H H 1 6.867 0.020 . . . . . A 122 THR H . 25016 1 1335 . 1 1 122 122 THR HA H 1 4.090 0.020 . . . . . A 122 THR HA . 25016 1 1336 . 1 1 122 122 THR HB H 1 3.584 0.020 . . . . . A 122 THR HB . 25016 1 1337 . 1 1 122 122 THR HG21 H 1 0.734 0.020 . . . . . A 122 THR HG21 . 25016 1 1338 . 1 1 122 122 THR HG22 H 1 0.734 0.020 . . . . . A 122 THR HG22 . 25016 1 1339 . 1 1 122 122 THR HG23 H 1 0.734 0.020 . . . . . A 122 THR HG23 . 25016 1 1340 . 1 1 122 122 THR CA C 13 60.652 0.300 . . . . . A 122 THR CA . 25016 1 1341 . 1 1 122 122 THR CG2 C 13 20.592 0.300 . . . . . A 122 THR CG2 . 25016 1 1342 . 1 1 122 122 THR N N 15 114.928 0.300 . . . . . A 122 THR N . 25016 1 1343 . 1 1 123 123 SER H H 1 7.689 0.020 . . . . . A 123 SER H . 25016 1 1344 . 1 1 123 123 SER HA H 1 4.436 0.020 . . . . . A 123 SER HA . 25016 1 1345 . 1 1 123 123 SER HB2 H 1 3.478 0.020 . . . . . A 123 SER HB2 . 25016 1 1346 . 1 1 123 123 SER HB3 H 1 3.478 0.020 . . . . . A 123 SER HB3 . 25016 1 1347 . 1 1 123 123 SER CA C 13 56.389 0.300 . . . . . A 123 SER CA . 25016 1 1348 . 1 1 123 123 SER CB C 13 64.358 0.300 . . . . . A 123 SER CB . 25016 1 1349 . 1 1 123 123 SER N N 15 116.286 0.300 . . . . . A 123 SER N . 25016 1 1350 . 1 1 124 124 LEU H H 1 8.300 0.020 . . . . . A 124 LEU H . 25016 1 1351 . 1 1 124 124 LEU HA H 1 4.359 0.020 . . . . . A 124 LEU HA . 25016 1 1352 . 1 1 124 124 LEU HB2 H 1 1.242 0.020 . . . . . A 124 LEU HB2 . 25016 1 1353 . 1 1 124 124 LEU HB3 H 1 1.166 0.020 . . . . . A 124 LEU HB3 . 25016 1 1354 . 1 1 124 124 LEU HG H 1 1.113 0.020 . . . . . A 124 LEU HG . 25016 1 1355 . 1 1 124 124 LEU HD11 H 1 0.601 0.020 . . . . . A 124 LEU HD11 . 25016 1 1356 . 1 1 124 124 LEU HD12 H 1 0.601 0.020 . . . . . A 124 LEU HD12 . 25016 1 1357 . 1 1 124 124 LEU HD13 H 1 0.601 0.020 . . . . . A 124 LEU HD13 . 25016 1 1358 . 1 1 124 124 LEU HD21 H 1 0.510 0.020 . . . . . A 124 LEU HD21 . 25016 1 1359 . 1 1 124 124 LEU HD22 H 1 0.510 0.020 . . . . . A 124 LEU HD22 . 25016 1 1360 . 1 1 124 124 LEU HD23 H 1 0.510 0.020 . . . . . A 124 LEU HD23 . 25016 1 1361 . 1 1 124 124 LEU CA C 13 54.792 0.300 . . . . . A 124 LEU CA . 25016 1 1362 . 1 1 124 124 LEU CB C 13 46.780 0.300 . . . . . A 124 LEU CB . 25016 1 1363 . 1 1 124 124 LEU CG C 13 26.858 0.300 . . . . . A 124 LEU CG . 25016 1 1364 . 1 1 124 124 LEU CD1 C 13 23.343 0.300 . . . . . A 124 LEU CD1 . 25016 1 1365 . 1 1 124 124 LEU CD2 C 13 25.849 0.300 . . . . . A 124 LEU CD2 . 25016 1 1366 . 1 1 124 124 LEU N N 15 126.634 0.300 . . . . . A 124 LEU N . 25016 1 1367 . 1 1 125 125 PHE H H 1 8.357 0.020 . . . . . A 125 PHE H . 25016 1 1368 . 1 1 125 125 PHE HA H 1 5.134 0.020 . . . . . A 125 PHE HA . 25016 1 1369 . 1 1 125 125 PHE HB2 H 1 2.663 0.020 . . . . . A 125 PHE HB2 . 25016 1 1370 . 1 1 125 125 PHE HB3 H 1 2.906 0.020 . . . . . A 125 PHE HB3 . 25016 1 1371 . 1 1 125 125 PHE HD1 H 1 6.953 0.020 . . . . . A 125 PHE HD1 . 25016 1 1372 . 1 1 125 125 PHE HE1 H 1 6.316 0.020 . . . . . A 125 PHE HE1 . 25016 1 1373 . 1 1 125 125 PHE CA C 13 58.480 0.300 . . . . . A 125 PHE CA . 25016 1 1374 . 1 1 125 125 PHE CB C 13 39.644 0.300 . . . . . A 125 PHE CB . 25016 1 1375 . 1 1 125 125 PHE CD1 C 13 132.874 0.300 . . . . . A 125 PHE CD1 . 25016 1 1376 . 1 1 125 125 PHE N N 15 126.127 0.300 . . . . . A 125 PHE N . 25016 1 1377 . 1 1 126 126 LEU H H 1 8.264 0.020 . . . . . A 126 LEU H . 25016 1 1378 . 1 1 126 126 LEU HA H 1 4.150 0.020 . . . . . A 126 LEU HA . 25016 1 1379 . 1 1 126 126 LEU HB2 H 1 1.070 0.020 . . . . . A 126 LEU HB2 . 25016 1 1380 . 1 1 126 126 LEU HB3 H 1 0.664 0.020 . . . . . A 126 LEU HB3 . 25016 1 1381 . 1 1 126 126 LEU HG H 1 1.056 0.020 . . . . . A 126 LEU HG . 25016 1 1382 . 1 1 126 126 LEU HD11 H 1 0.475 0.020 . . . . . A 126 LEU HD11 . 25016 1 1383 . 1 1 126 126 LEU HD12 H 1 0.475 0.020 . . . . . A 126 LEU HD12 . 25016 1 1384 . 1 1 126 126 LEU HD13 H 1 0.475 0.020 . . . . . A 126 LEU HD13 . 25016 1 1385 . 1 1 126 126 LEU HD21 H 1 0.150 0.020 . . . . . A 126 LEU HD21 . 25016 1 1386 . 1 1 126 126 LEU HD22 H 1 0.150 0.020 . . . . . A 126 LEU HD22 . 25016 1 1387 . 1 1 126 126 LEU HD23 H 1 0.150 0.020 . . . . . A 126 LEU HD23 . 25016 1 1388 . 1 1 126 126 LEU CA C 13 53.789 0.300 . . . . . A 126 LEU CA . 25016 1 1389 . 1 1 126 126 LEU CB C 13 47.153 0.300 . . . . . A 126 LEU CB . 25016 1 1390 . 1 1 126 126 LEU CG C 13 26.817 0.300 . . . . . A 126 LEU CG . 25016 1 1391 . 1 1 126 126 LEU CD1 C 13 23.458 0.300 . . . . . A 126 LEU CD1 . 25016 1 1392 . 1 1 126 126 LEU CD2 C 13 24.317 0.300 . . . . . A 126 LEU CD2 . 25016 1 1393 . 1 1 126 126 LEU N N 15 128.132 0.300 . . . . . A 126 LEU N . 25016 1 1394 . 1 1 127 127 CYS H H 1 8.141 0.020 . . . . . A 127 CYS H . 25016 1 1395 . 1 1 127 127 CYS HA H 1 4.757 0.020 . . . . . A 127 CYS HA . 25016 1 1396 . 1 1 127 127 CYS HB2 H 1 2.594 0.020 . . . . . A 127 CYS HB2 . 25016 1 1397 . 1 1 127 127 CYS HB3 H 1 2.342 0.020 . . . . . A 127 CYS HB3 . 25016 1 1398 . 1 1 127 127 CYS HG H 1 1.046 0.020 . . . . . A 127 CYS HG . 25016 1 1399 . 1 1 127 127 CYS CA C 13 56.941 0.300 . . . . . A 127 CYS CA . 25016 1 1400 . 1 1 127 127 CYS CB C 13 26.529 0.300 . . . . . A 127 CYS CB . 25016 1 1401 . 1 1 127 127 CYS N N 15 122.894 0.300 . . . . . A 127 CYS N . 25016 1 1402 . 1 1 128 128 ASP H H 1 9.018 0.020 . . . . . A 128 ASP H . 25016 1 1403 . 1 1 128 128 ASP HA H 1 4.817 0.020 . . . . . A 128 ASP HA . 25016 1 1404 . 1 1 128 128 ASP HB2 H 1 2.402 0.020 . . . . . A 128 ASP HB2 . 25016 1 1405 . 1 1 128 128 ASP HB3 H 1 2.402 0.020 . . . . . A 128 ASP HB3 . 25016 1 1406 . 1 1 128 128 ASP CA C 13 52.442 0.300 . . . . . A 128 ASP CA . 25016 1 1407 . 1 1 128 128 ASP CB C 13 44.618 0.300 . . . . . A 128 ASP CB . 25016 1 1408 . 1 1 128 128 ASP N N 15 126.279 0.300 . . . . . A 128 ASP N . 25016 1 1409 . 1 1 129 129 ASN H H 1 9.125 0.020 . . . . . A 129 ASN H . 25016 1 1410 . 1 1 129 129 ASN HA H 1 4.494 0.020 . . . . . A 129 ASN HA . 25016 1 1411 . 1 1 129 129 ASN HB2 H 1 2.814 0.020 . . . . . A 129 ASN HB2 . 25016 1 1412 . 1 1 129 129 ASN HB3 H 1 2.408 0.020 . . . . . A 129 ASN HB3 . 25016 1 1413 . 1 1 129 129 ASN HD21 H 1 7.270 0.020 . . . . . A 129 ASN HD21 . 25016 1 1414 . 1 1 129 129 ASN HD22 H 1 6.423 0.020 . . . . . A 129 ASN HD22 . 25016 1 1415 . 1 1 129 129 ASN CA C 13 52.308 0.300 . . . . . A 129 ASN CA . 25016 1 1416 . 1 1 129 129 ASN CB C 13 37.902 0.300 . . . . . A 129 ASN CB . 25016 1 1417 . 1 1 129 129 ASN N N 15 119.499 0.300 . . . . . A 129 ASN N . 25016 1 1418 . 1 1 129 129 ASN ND2 N 15 110.504 0.300 . . . . . A 129 ASN ND2 . 25016 1 1419 . 1 1 130 130 LYS H H 1 6.960 0.020 . . . . . A 130 LYS H . 25016 1 1420 . 1 1 130 130 LYS HA H 1 4.046 0.020 . . . . . A 130 LYS HA . 25016 1 1421 . 1 1 130 130 LYS HB2 H 1 1.499 0.020 . . . . . A 130 LYS HB2 . 25016 1 1422 . 1 1 130 130 LYS HB3 H 1 1.499 0.020 . . . . . A 130 LYS HB3 . 25016 1 1423 . 1 1 130 130 LYS HG2 H 1 0.312 0.020 . . . . . A 130 LYS HG2 . 25016 1 1424 . 1 1 130 130 LYS HG3 H 1 0.921 0.020 . . . . . A 130 LYS HG3 . 25016 1 1425 . 1 1 130 130 LYS HD2 H 1 1.208 0.020 . . . . . A 130 LYS HD2 . 25016 1 1426 . 1 1 130 130 LYS HD3 H 1 1.208 0.020 . . . . . A 130 LYS HD3 . 25016 1 1427 . 1 1 130 130 LYS CA C 13 54.104 0.300 . . . . . A 130 LYS CA . 25016 1 1428 . 1 1 130 130 LYS CB C 13 33.947 0.300 . . . . . A 130 LYS CB . 25016 1 1429 . 1 1 130 130 LYS CG C 13 21.585 0.300 . . . . . A 130 LYS CG . 25016 1 1430 . 1 1 130 130 LYS CD C 13 28.696 0.300 . . . . . A 130 LYS CD . 25016 1 1431 . 1 1 130 130 LYS N N 15 113.655 0.300 . . . . . A 130 LYS N . 25016 1 1432 . 1 1 131 131 PHE H H 1 9.411 0.020 . . . . . A 131 PHE H . 25016 1 1433 . 1 1 131 131 PHE HA H 1 4.469 0.020 . . . . . A 131 PHE HA . 25016 1 1434 . 1 1 131 131 PHE HB2 H 1 2.397 0.020 . . . . . A 131 PHE HB2 . 25016 1 1435 . 1 1 131 131 PHE HB3 H 1 2.162 0.020 . . . . . A 131 PHE HB3 . 25016 1 1436 . 1 1 131 131 PHE HD1 H 1 7.044 0.020 . . . . . A 131 PHE HD1 . 25016 1 1437 . 1 1 131 131 PHE HE1 H 1 6.868 0.020 . . . . . A 131 PHE HE1 . 25016 1 1438 . 1 1 131 131 PHE HZ H 1 6.480 0.020 . . . . . A 131 PHE HZ . 25016 1 1439 . 1 1 131 131 PHE CA C 13 56.712 0.300 . . . . . A 131 PHE CA . 25016 1 1440 . 1 1 131 131 PHE CB C 13 39.029 0.300 . . . . . A 131 PHE CB . 25016 1 1441 . 1 1 131 131 PHE CD1 C 13 132.600 0.300 . . . . . A 131 PHE CD1 . 25016 1 1442 . 1 1 131 131 PHE CE1 C 13 131.960 0.300 . . . . . A 131 PHE CE1 . 25016 1 1443 . 1 1 131 131 PHE CZ C 13 128.852 0.300 . . . . . A 131 PHE CZ . 25016 1 1444 . 1 1 131 131 PHE N N 15 121.426 0.300 . . . . . A 131 PHE N . 25016 1 1445 . 1 1 132 132 HIS H H 1 8.826 0.020 . . . . . A 132 HIS H . 25016 1 1446 . 1 1 132 132 HIS HA H 1 3.637 0.020 . . . . . A 132 HIS HA . 25016 1 1447 . 1 1 132 132 HIS HB2 H 1 2.648 0.020 . . . . . A 132 HIS HB2 . 25016 1 1448 . 1 1 132 132 HIS HB3 H 1 2.648 0.020 . . . . . A 132 HIS HB3 . 25016 1 1449 . 1 1 132 132 HIS HD2 H 1 7.107 0.020 . . . . . A 132 HIS HD2 . 25016 1 1450 . 1 1 132 132 HIS CA C 13 56.568 0.300 . . . . . A 132 HIS CA . 25016 1 1451 . 1 1 132 132 HIS CB C 13 28.243 0.300 . . . . . A 132 HIS CB . 25016 1 1452 . 1 1 132 132 HIS CD2 C 13 119.204 0.300 . . . . . A 132 HIS CD2 . 25016 1 1453 . 1 1 132 132 HIS N N 15 121.283 0.300 . . . . . A 132 HIS N . 25016 1 1454 . 1 1 133 133 THR H H 1 8.590 0.020 . . . . . A 133 THR H . 25016 1 1455 . 1 1 133 133 THR HA H 1 4.527 0.020 . . . . . A 133 THR HA . 25016 1 1456 . 1 1 133 133 THR HB H 1 4.162 0.020 . . . . . A 133 THR HB . 25016 1 1457 . 1 1 133 133 THR HG21 H 1 0.596 0.020 . . . . . A 133 THR HG21 . 25016 1 1458 . 1 1 133 133 THR HG22 H 1 0.596 0.020 . . . . . A 133 THR HG22 . 25016 1 1459 . 1 1 133 133 THR HG23 H 1 0.596 0.020 . . . . . A 133 THR HG23 . 25016 1 1460 . 1 1 133 133 THR CA C 13 61.679 0.300 . . . . . A 133 THR CA . 25016 1 1461 . 1 1 133 133 THR CG2 C 13 21.325 0.300 . . . . . A 133 THR CG2 . 25016 1 1462 . 1 1 133 133 THR N N 15 117.967 0.300 . . . . . A 133 THR N . 25016 1 1463 . 1 1 134 134 GLU H H 1 10.337 0.020 . . . . . A 134 GLU H . 25016 1 1464 . 1 1 134 134 GLU HA H 1 3.857 0.020 . . . . . A 134 GLU HA . 25016 1 1465 . 1 1 134 134 GLU HB2 H 1 1.848 0.020 . . . . . A 134 GLU HB2 . 25016 1 1466 . 1 1 134 134 GLU HB3 H 1 1.848 0.020 . . . . . A 134 GLU HB3 . 25016 1 1467 . 1 1 134 134 GLU HG2 H 1 2.293 0.020 . . . . . A 134 GLU HG2 . 25016 1 1468 . 1 1 134 134 GLU HG3 H 1 2.293 0.020 . . . . . A 134 GLU HG3 . 25016 1 1469 . 1 1 134 134 GLU CA C 13 58.400 0.300 . . . . . A 134 GLU CA . 25016 1 1470 . 1 1 134 134 GLU CB C 13 27.487 0.300 . . . . . A 134 GLU CB . 25016 1 1471 . 1 1 134 134 GLU CG C 13 35.577 0.300 . . . . . A 134 GLU CG . 25016 1 1472 . 1 1 134 134 GLU N N 15 129.143 0.300 . . . . . A 134 GLU N . 25016 1 1473 . 1 1 135 135 ALA H H 1 8.970 0.020 . . . . . A 135 ALA H . 25016 1 1474 . 1 1 135 135 ALA HA H 1 3.955 0.020 . . . . . A 135 ALA HA . 25016 1 1475 . 1 1 135 135 ALA HB1 H 1 1.131 0.020 . . . . . A 135 ALA HB1 . 25016 1 1476 . 1 1 135 135 ALA HB2 H 1 1.131 0.020 . . . . . A 135 ALA HB2 . 25016 1 1477 . 1 1 135 135 ALA HB3 H 1 1.131 0.020 . . . . . A 135 ALA HB3 . 25016 1 1478 . 1 1 135 135 ALA CA C 13 54.377 0.300 . . . . . A 135 ALA CA . 25016 1 1479 . 1 1 135 135 ALA CB C 13 18.535 0.300 . . . . . A 135 ALA CB . 25016 1 1480 . 1 1 135 135 ALA N N 15 122.436 0.300 . . . . . A 135 ALA N . 25016 1 1481 . 1 1 136 136 LEU H H 1 7.488 0.020 . . . . . A 136 LEU H . 25016 1 1482 . 1 1 136 136 LEU HA H 1 3.961 0.020 . . . . . A 136 LEU HA . 25016 1 1483 . 1 1 136 136 LEU HB2 H 1 1.843 0.020 . . . . . A 136 LEU HB2 . 25016 1 1484 . 1 1 136 136 LEU HB3 H 1 1.185 0.020 . . . . . A 136 LEU HB3 . 25016 1 1485 . 1 1 136 136 LEU HG H 1 1.602 0.020 . . . . . A 136 LEU HG . 25016 1 1486 . 1 1 136 136 LEU HD11 H 1 0.853 0.020 . . . . . A 136 LEU HD11 . 25016 1 1487 . 1 1 136 136 LEU HD12 H 1 0.853 0.020 . . . . . A 136 LEU HD12 . 25016 1 1488 . 1 1 136 136 LEU HD13 H 1 0.853 0.020 . . . . . A 136 LEU HD13 . 25016 1 1489 . 1 1 136 136 LEU HD21 H 1 0.695 0.020 . . . . . A 136 LEU HD21 . 25016 1 1490 . 1 1 136 136 LEU HD22 H 1 0.695 0.020 . . . . . A 136 LEU HD22 . 25016 1 1491 . 1 1 136 136 LEU HD23 H 1 0.695 0.020 . . . . . A 136 LEU HD23 . 25016 1 1492 . 1 1 136 136 LEU CA C 13 56.304 0.300 . . . . . A 136 LEU CA . 25016 1 1493 . 1 1 136 136 LEU CB C 13 41.484 0.300 . . . . . A 136 LEU CB . 25016 1 1494 . 1 1 136 136 LEU CG C 13 26.867 0.300 . . . . . A 136 LEU CG . 25016 1 1495 . 1 1 136 136 LEU CD1 C 13 26.225 0.300 . . . . . A 136 LEU CD1 . 25016 1 1496 . 1 1 136 136 LEU CD2 C 13 22.456 0.300 . . . . . A 136 LEU CD2 . 25016 1 1497 . 1 1 136 136 LEU N N 15 117.126 0.300 . . . . . A 136 LEU N . 25016 1 1498 . 1 1 137 137 THR H H 1 7.839 0.020 . . . . . A 137 THR H . 25016 1 1499 . 1 1 137 137 THR HA H 1 3.949 0.020 . . . . . A 137 THR HA . 25016 1 1500 . 1 1 137 137 THR HB H 1 3.517 0.020 . . . . . A 137 THR HB . 25016 1 1501 . 1 1 137 137 THR HG21 H 1 0.686 0.020 . . . . . A 137 THR HG21 . 25016 1 1502 . 1 1 137 137 THR HG22 H 1 0.686 0.020 . . . . . A 137 THR HG22 . 25016 1 1503 . 1 1 137 137 THR HG23 H 1 0.686 0.020 . . . . . A 137 THR HG23 . 25016 1 1504 . 1 1 137 137 THR CA C 13 66.609 0.300 . . . . . A 137 THR CA . 25016 1 1505 . 1 1 137 137 THR CG2 C 13 22.142 0.300 . . . . . A 137 THR CG2 . 25016 1 1506 . 1 1 137 137 THR N N 15 117.509 0.300 . . . . . A 137 THR N . 25016 1 1507 . 1 1 138 138 ALA H H 1 7.727 0.020 . . . . . A 138 ALA H . 25016 1 1508 . 1 1 138 138 ALA HA H 1 3.942 0.020 . . . . . A 138 ALA HA . 25016 1 1509 . 1 1 138 138 ALA HB1 H 1 1.205 0.020 . . . . . A 138 ALA HB1 . 25016 1 1510 . 1 1 138 138 ALA HB2 H 1 1.205 0.020 . . . . . A 138 ALA HB2 . 25016 1 1511 . 1 1 138 138 ALA HB3 H 1 1.205 0.020 . . . . . A 138 ALA HB3 . 25016 1 1512 . 1 1 138 138 ALA CA C 13 54.786 0.300 . . . . . A 138 ALA CA . 25016 1 1513 . 1 1 138 138 ALA CB C 13 17.745 0.300 . . . . . A 138 ALA CB . 25016 1 1514 . 1 1 138 138 ALA N N 15 124.534 0.300 . . . . . A 138 ALA N . 25016 1 1515 . 1 1 139 139 LEU H H 1 7.266 0.020 . . . . . A 139 LEU H . 25016 1 1516 . 1 1 139 139 LEU HA H 1 3.922 0.020 . . . . . A 139 LEU HA . 25016 1 1517 . 1 1 139 139 LEU HB2 H 1 1.605 0.020 . . . . . A 139 LEU HB2 . 25016 1 1518 . 1 1 139 139 LEU HB3 H 1 1.605 0.020 . . . . . A 139 LEU HB3 . 25016 1 1519 . 1 1 139 139 LEU HG H 1 1.476 0.020 . . . . . A 139 LEU HG . 25016 1 1520 . 1 1 139 139 LEU HD11 H 1 0.569 0.020 . . . . . A 139 LEU HD11 . 25016 1 1521 . 1 1 139 139 LEU HD12 H 1 0.569 0.020 . . . . . A 139 LEU HD12 . 25016 1 1522 . 1 1 139 139 LEU HD13 H 1 0.569 0.020 . . . . . A 139 LEU HD13 . 25016 1 1523 . 1 1 139 139 LEU HD21 H 1 0.569 0.020 . . . . . A 139 LEU HD21 . 25016 1 1524 . 1 1 139 139 LEU HD22 H 1 0.569 0.020 . . . . . A 139 LEU HD22 . 25016 1 1525 . 1 1 139 139 LEU HD23 H 1 0.569 0.020 . . . . . A 139 LEU HD23 . 25016 1 1526 . 1 1 139 139 LEU CA C 13 57.151 0.300 . . . . . A 139 LEU CA . 25016 1 1527 . 1 1 139 139 LEU CB C 13 41.835 0.300 . . . . . A 139 LEU CB . 25016 1 1528 . 1 1 139 139 LEU CG C 13 26.840 0.300 . . . . . A 139 LEU CG . 25016 1 1529 . 1 1 139 139 LEU CD1 C 13 24.945 0.300 . . . . . A 139 LEU CD1 . 25016 1 1530 . 1 1 139 139 LEU CD2 C 13 24.331 0.300 . . . . . A 139 LEU CD2 . 25016 1 1531 . 1 1 139 139 LEU N N 15 119.795 0.300 . . . . . A 139 LEU N . 25016 1 1532 . 1 1 140 140 LEU H H 1 7.644 0.020 . . . . . A 140 LEU H . 25016 1 1533 . 1 1 140 140 LEU HA H 1 3.904 0.020 . . . . . A 140 LEU HA . 25016 1 1534 . 1 1 140 140 LEU HB2 H 1 1.599 0.020 . . . . . A 140 LEU HB2 . 25016 1 1535 . 1 1 140 140 LEU HB3 H 1 1.599 0.020 . . . . . A 140 LEU HB3 . 25016 1 1536 . 1 1 140 140 LEU HG H 1 1.565 0.020 . . . . . A 140 LEU HG . 25016 1 1537 . 1 1 140 140 LEU HD11 H 1 0.620 0.020 . . . . . A 140 LEU HD11 . 25016 1 1538 . 1 1 140 140 LEU HD12 H 1 0.620 0.020 . . . . . A 140 LEU HD12 . 25016 1 1539 . 1 1 140 140 LEU HD13 H 1 0.620 0.020 . . . . . A 140 LEU HD13 . 25016 1 1540 . 1 1 140 140 LEU HD21 H 1 0.620 0.020 . . . . . A 140 LEU HD21 . 25016 1 1541 . 1 1 140 140 LEU HD22 H 1 0.620 0.020 . . . . . A 140 LEU HD22 . 25016 1 1542 . 1 1 140 140 LEU HD23 H 1 0.620 0.020 . . . . . A 140 LEU HD23 . 25016 1 1543 . 1 1 140 140 LEU CA C 13 56.538 0.300 . . . . . A 140 LEU CA . 25016 1 1544 . 1 1 140 140 LEU CB C 13 41.187 0.300 . . . . . A 140 LEU CB . 25016 1 1545 . 1 1 140 140 LEU CG C 13 26.525 0.300 . . . . . A 140 LEU CG . 25016 1 1546 . 1 1 140 140 LEU CD1 C 13 24.359 0.300 . . . . . A 140 LEU CD1 . 25016 1 1547 . 1 1 140 140 LEU CD2 C 13 25.447 0.300 . . . . . A 140 LEU CD2 . 25016 1 1548 . 1 1 140 140 LEU N N 15 117.621 0.300 . . . . . A 140 LEU N . 25016 1 1549 . 1 1 141 141 SER H H 1 7.744 0.020 . . . . . A 141 SER H . 25016 1 1550 . 1 1 141 141 SER HA H 1 3.994 0.020 . . . . . A 141 SER HA . 25016 1 1551 . 1 1 141 141 SER HB2 H 1 3.727 0.020 . . . . . A 141 SER HB2 . 25016 1 1552 . 1 1 141 141 SER HB3 H 1 3.727 0.020 . . . . . A 141 SER HB3 . 25016 1 1553 . 1 1 141 141 SER CA C 13 60.523 0.300 . . . . . A 141 SER CA . 25016 1 1554 . 1 1 141 141 SER CB C 13 63.648 0.300 . . . . . A 141 SER CB . 25016 1 1555 . 1 1 141 141 SER N N 15 114.982 0.300 . . . . . A 141 SER N . 25016 1 1556 . 1 1 142 142 ASP H H 1 7.820 0.020 . . . . . A 142 ASP H . 25016 1 1557 . 1 1 142 142 ASP HA H 1 4.283 0.020 . . . . . A 142 ASP HA . 25016 1 1558 . 1 1 142 142 ASP HB2 H 1 2.519 0.020 . . . . . A 142 ASP HB2 . 25016 1 1559 . 1 1 142 142 ASP HB3 H 1 2.519 0.020 . . . . . A 142 ASP HB3 . 25016 1 1560 . 1 1 142 142 ASP CA C 13 55.603 0.300 . . . . . A 142 ASP CA . 25016 1 1561 . 1 1 142 142 ASP CB C 13 40.852 0.300 . . . . . A 142 ASP CB . 25016 1 1562 . 1 1 142 142 ASP N N 15 121.913 0.300 . . . . . A 142 ASP N . 25016 1 stop_ save_