data_19642 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19642 _Entry.Title ; NMR structure of the first RRM domain of the protein RBM39 from homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-02 _Entry.Accession_date 2013-12-02 _Entry.Last_release_date 2013-12-20 _Entry.Original_release_date 2013-12-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Pedro Serrano . . . 19642 2 Michael Geralt . . . 19642 3 Samit Dutta . K. . 19642 4 Kurt Wuthrich . . . 19642 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 PSI:Biology 'Joint Center for Structural Genomics' . 19642 2 PSI:Biology 'Partnership for T-Cell Biology' . 19642 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PSI:Biology . 19642 RBM39 . 19642 'RNA binding protein' . 19642 RRM . 19642 T-Cell . 19642 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19642 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 19642 '15N chemical shifts' 95 19642 '1H chemical shifts' 643 19642 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 . . 2013-12-20 2013-11-27 original author . 19642 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHN 'BMRB Entry Tracking System' 19642 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19642 _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 'NMR structure of the first RRM domain of the protein RBM39 from homo sapiens' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Pedro Serrano . . . 19642 1 2 Kurt Wuthrich . . . 19642 1 3 Michael Geralt . . . 19642 1 4 Samit Dutta . K. . 19642 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19642 _Assembly.ID 1 _Assembly.Name RBM39_RRM1 _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 entity 1 $entity A . yes native no no . . . 19642 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19642 _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 ; GHMNLTPEERDARTVFCMQL AARIRPRDLEEFFSTVGKVR DVRMISDRNSRRSKGIAYVE FVDVSSVPLAIGLTGQRVLG VPIIVQASQAEKNRRRSKGI AYVEFVDVSSVPLAIGLTGQ RVLGVPIIVQASQAEKNRVP IIVQASQAEKNR ; _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 152 _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 10574.261 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MHN . "Nmr Structure Of The First Rrm Domain Of The Protein Rbm39 From Homo Sapiens" . . . . . 61.84 94 100.00 100.00 7.43e-60 . . . . 19642 1 2 no PDB 4YUD . "Crystal Structure Of A Rna Binding Motif Protein 39 (rbm39) From Homo Sapiens At 1.28 A Resolution" . . . . . 59.87 92 100.00 100.00 1.47e-56 . . . . 19642 1 3 no DBJ BAE22477 . "unnamed protein product [Mus musculus]" . . . . . 59.87 521 100.00 100.00 8.65e-53 . . . . 19642 1 4 no DBJ BAE27657 . "unnamed protein product [Mus musculus]" . . . . . 59.87 530 100.00 100.00 9.26e-53 . . . . 19642 1 5 no DBJ BAE32977 . "unnamed protein product [Mus musculus]" . . . . . 59.87 524 100.00 100.00 9.36e-53 . . . . 19642 1 6 no DBJ BAG54289 . "unnamed protein product [Homo sapiens]" . . . . . 59.87 506 100.00 100.00 8.88e-53 . . . . 19642 1 7 no DBJ BAG59582 . "unnamed protein product [Homo sapiens]" . . . . . 59.87 503 100.00 100.00 7.07e-53 . . . . 19642 1 8 no EMBL CAD97833 . "hypothetical protein [Homo sapiens]" . . . . . 50.66 373 100.00 100.00 3.87e-42 . . . . 19642 1 9 no EMBL CAE45833 . "hypothetical protein [Homo sapiens]" . . . . . 50.66 367 100.00 100.00 3.27e-42 . . . . 19642 1 10 no EMBL CAE45890 . "hypothetical protein [Homo sapiens]" . . . . . 50.66 373 98.70 100.00 6.68e-42 . . . . 19642 1 11 no EMBL CAH18281 . "hypothetical protein [Homo sapiens]" . . . . . 59.87 513 100.00 100.00 7.68e-53 . . . . 19642 1 12 no EMBL CAH90627 . "hypothetical protein [Pongo abelii]" . . . . . 59.87 524 100.00 100.00 6.71e-53 . . . . 19642 1 13 no GB AAA16346 . "splicing factor [Homo sapiens]" . . . . . 59.87 524 100.00 100.00 6.71e-53 . . . . 19642 1 14 no GB AAA16347 . "splicing factor [Homo sapiens]" . . . . . 59.87 530 100.00 100.00 8.98e-53 . . . . 19642 1 15 no GB AAH04000 . "Rbm39 protein, partial [Mus musculus]" . . . . . 59.87 429 100.00 100.00 2.08e-53 . . . . 19642 1 16 no GB AAH30493 . "Rbm39 protein [Mus musculus]" . . . . . 50.66 367 100.00 100.00 3.27e-42 . . . . 19642 1 17 no GB AAH82607 . "Rbm39 protein [Mus musculus]" . . . . . 50.66 367 100.00 100.00 3.27e-42 . . . . 19642 1 18 no REF NP_001013225 . "RNA-binding protein 39 [Rattus norvegicus]" . . . . . 59.87 524 100.00 100.00 9.36e-53 . . . . 19642 1 19 no REF NP_001125339 . "RNA-binding protein 39 [Pongo abelii]" . . . . . 59.87 524 100.00 100.00 6.71e-53 . . . . 19642 1 20 no REF NP_001162566 . "RNA-binding protein 39 [Papio anubis]" . . . . . 59.87 530 100.00 100.00 8.98e-53 . . . . 19642 1 21 no REF NP_001164806 . "RNA-binding protein 39 [Oryctolagus cuniculus]" . . . . . 59.87 530 100.00 100.00 8.98e-53 . . . . 19642 1 22 no REF NP_001193433 . "RNA-binding protein 39 [Bos taurus]" . . . . . 59.87 530 100.00 100.00 7.92e-53 . . . . 19642 1 23 no SP Q14498 . "RecName: Full=RNA-binding protein 39; AltName: Full=CAPER alpha; AltName: Full=Hepatocellular carcinoma protein 1; AltName: Ful" . . . . . 59.87 530 100.00 100.00 8.98e-53 . . . . 19642 1 24 no SP Q5RC80 . "RecName: Full=RNA-binding protein 39; AltName: Full=RNA-binding motif protein 39" . . . . . 59.87 524 100.00 100.00 6.71e-53 . . . . 19642 1 25 no SP Q8VH51 . "RecName: Full=RNA-binding protein 39; AltName: Full=Coactivator of activating protein 1 and estrogen receptors; Short=Coactivat" . . . . . 59.87 530 100.00 100.00 9.26e-53 . . . . 19642 1 26 no TPG DAA23046 . "TPA: RNA binding motif protein 39 [Bos taurus]" . . . . . 59.87 524 100.00 100.00 6.71e-53 . . . . 19642 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19642 1 2 2 HIS . 19642 1 3 3 MET . 19642 1 4 4 ASN . 19642 1 5 5 LEU . 19642 1 6 6 THR . 19642 1 7 7 PRO . 19642 1 8 8 GLU . 19642 1 9 9 GLU . 19642 1 10 10 ARG . 19642 1 11 11 ASP . 19642 1 12 12 ALA . 19642 1 13 13 ARG . 19642 1 14 14 THR . 19642 1 15 15 VAL . 19642 1 16 16 PHE . 19642 1 17 17 CYS . 19642 1 18 18 MET . 19642 1 19 19 GLN . 19642 1 20 20 LEU . 19642 1 21 21 ALA . 19642 1 22 22 ALA . 19642 1 23 23 ARG . 19642 1 24 24 ILE . 19642 1 25 25 ARG . 19642 1 26 26 PRO . 19642 1 27 27 ARG . 19642 1 28 28 ASP . 19642 1 29 29 LEU . 19642 1 30 30 GLU . 19642 1 31 31 GLU . 19642 1 32 32 PHE . 19642 1 33 33 PHE . 19642 1 34 34 SER . 19642 1 35 35 THR . 19642 1 36 36 VAL . 19642 1 37 37 GLY . 19642 1 38 38 LYS . 19642 1 39 39 VAL . 19642 1 40 40 ARG . 19642 1 41 41 ASP . 19642 1 42 42 VAL . 19642 1 43 43 ARG . 19642 1 44 44 MET . 19642 1 45 45 ILE . 19642 1 46 46 SER . 19642 1 47 47 ASP . 19642 1 48 48 ARG . 19642 1 49 49 ASN . 19642 1 50 50 SER . 19642 1 51 51 ARG . 19642 1 52 52 ARG . 19642 1 53 53 SER . 19642 1 54 54 LYS . 19642 1 55 55 GLY . 19642 1 56 56 ILE . 19642 1 57 57 ALA . 19642 1 58 58 TYR . 19642 1 59 59 VAL . 19642 1 60 60 GLU . 19642 1 61 61 PHE . 19642 1 62 62 VAL . 19642 1 63 63 ASP . 19642 1 64 64 VAL . 19642 1 65 65 SER . 19642 1 66 66 SER . 19642 1 67 67 VAL . 19642 1 68 68 PRO . 19642 1 69 69 LEU . 19642 1 70 70 ALA . 19642 1 71 71 ILE . 19642 1 72 72 GLY . 19642 1 73 73 LEU . 19642 1 74 74 THR . 19642 1 75 75 GLY . 19642 1 76 76 GLN . 19642 1 77 77 ARG . 19642 1 78 78 VAL . 19642 1 79 79 LEU . 19642 1 80 80 GLY . 19642 1 81 81 VAL . 19642 1 82 82 PRO . 19642 1 83 83 ILE . 19642 1 84 84 ILE . 19642 1 85 85 VAL . 19642 1 86 86 GLN . 19642 1 87 87 ALA . 19642 1 88 88 SER . 19642 1 89 89 GLN . 19642 1 90 90 ALA . 19642 1 91 91 GLU . 19642 1 92 92 LYS . 19642 1 93 93 ASN . 19642 1 94 94 ARG . 19642 1 95 95 ARG . 19642 1 96 96 ARG . 19642 1 97 97 SER . 19642 1 98 98 LYS . 19642 1 99 99 GLY . 19642 1 100 100 ILE . 19642 1 101 101 ALA . 19642 1 102 102 TYR . 19642 1 103 103 VAL . 19642 1 104 104 GLU . 19642 1 105 105 PHE . 19642 1 106 106 VAL . 19642 1 107 107 ASP . 19642 1 108 108 VAL . 19642 1 109 109 SER . 19642 1 110 110 SER . 19642 1 111 111 VAL . 19642 1 112 112 PRO . 19642 1 113 113 LEU . 19642 1 114 114 ALA . 19642 1 115 115 ILE . 19642 1 116 116 GLY . 19642 1 117 117 LEU . 19642 1 118 118 THR . 19642 1 119 119 GLY . 19642 1 120 120 GLN . 19642 1 121 121 ARG . 19642 1 122 122 VAL . 19642 1 123 123 LEU . 19642 1 124 124 GLY . 19642 1 125 125 VAL . 19642 1 126 126 PRO . 19642 1 127 127 ILE . 19642 1 128 128 ILE . 19642 1 129 129 VAL . 19642 1 130 130 GLN . 19642 1 131 131 ALA . 19642 1 132 132 SER . 19642 1 133 133 GLN . 19642 1 134 134 ALA . 19642 1 135 135 GLU . 19642 1 136 136 LYS . 19642 1 137 137 ASN . 19642 1 138 138 ARG . 19642 1 139 139 VAL . 19642 1 140 140 PRO . 19642 1 141 141 ILE . 19642 1 142 142 ILE . 19642 1 143 143 VAL . 19642 1 144 144 GLN . 19642 1 145 145 ALA . 19642 1 146 146 SER . 19642 1 147 147 GLN . 19642 1 148 148 ALA . 19642 1 149 149 GLU . 19642 1 150 150 LYS . 19642 1 151 151 ASN . 19642 1 152 152 ARG . 19642 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19642 1 . HIS 2 2 19642 1 . MET 3 3 19642 1 . ASN 4 4 19642 1 . LEU 5 5 19642 1 . THR 6 6 19642 1 . PRO 7 7 19642 1 . GLU 8 8 19642 1 . GLU 9 9 19642 1 . ARG 10 10 19642 1 . ASP 11 11 19642 1 . ALA 12 12 19642 1 . ARG 13 13 19642 1 . THR 14 14 19642 1 . VAL 15 15 19642 1 . PHE 16 16 19642 1 . CYS 17 17 19642 1 . MET 18 18 19642 1 . GLN 19 19 19642 1 . LEU 20 20 19642 1 . ALA 21 21 19642 1 . ALA 22 22 19642 1 . ARG 23 23 19642 1 . ILE 24 24 19642 1 . ARG 25 25 19642 1 . PRO 26 26 19642 1 . ARG 27 27 19642 1 . ASP 28 28 19642 1 . LEU 29 29 19642 1 . GLU 30 30 19642 1 . GLU 31 31 19642 1 . PHE 32 32 19642 1 . PHE 33 33 19642 1 . SER 34 34 19642 1 . THR 35 35 19642 1 . VAL 36 36 19642 1 . GLY 37 37 19642 1 . LYS 38 38 19642 1 . VAL 39 39 19642 1 . ARG 40 40 19642 1 . ASP 41 41 19642 1 . VAL 42 42 19642 1 . ARG 43 43 19642 1 . MET 44 44 19642 1 . ILE 45 45 19642 1 . SER 46 46 19642 1 . ASP 47 47 19642 1 . ARG 48 48 19642 1 . ASN 49 49 19642 1 . SER 50 50 19642 1 . ARG 51 51 19642 1 . ARG 52 52 19642 1 . SER 53 53 19642 1 . LYS 54 54 19642 1 . GLY 55 55 19642 1 . ILE 56 56 19642 1 . ALA 57 57 19642 1 . TYR 58 58 19642 1 . VAL 59 59 19642 1 . GLU 60 60 19642 1 . PHE 61 61 19642 1 . VAL 62 62 19642 1 . ASP 63 63 19642 1 . VAL 64 64 19642 1 . SER 65 65 19642 1 . SER 66 66 19642 1 . VAL 67 67 19642 1 . PRO 68 68 19642 1 . LEU 69 69 19642 1 . ALA 70 70 19642 1 . ILE 71 71 19642 1 . GLY 72 72 19642 1 . LEU 73 73 19642 1 . THR 74 74 19642 1 . GLY 75 75 19642 1 . GLN 76 76 19642 1 . ARG 77 77 19642 1 . VAL 78 78 19642 1 . LEU 79 79 19642 1 . GLY 80 80 19642 1 . VAL 81 81 19642 1 . PRO 82 82 19642 1 . ILE 83 83 19642 1 . ILE 84 84 19642 1 . VAL 85 85 19642 1 . GLN 86 86 19642 1 . ALA 87 87 19642 1 . SER 88 88 19642 1 . GLN 89 89 19642 1 . ALA 90 90 19642 1 . GLU 91 91 19642 1 . LYS 92 92 19642 1 . ASN 93 93 19642 1 . ARG 94 94 19642 1 . ARG 95 95 19642 1 . ARG 96 96 19642 1 . SER 97 97 19642 1 . LYS 98 98 19642 1 . GLY 99 99 19642 1 . ILE 100 100 19642 1 . ALA 101 101 19642 1 . TYR 102 102 19642 1 . VAL 103 103 19642 1 . GLU 104 104 19642 1 . PHE 105 105 19642 1 . VAL 106 106 19642 1 . ASP 107 107 19642 1 . VAL 108 108 19642 1 . SER 109 109 19642 1 . SER 110 110 19642 1 . VAL 111 111 19642 1 . PRO 112 112 19642 1 . LEU 113 113 19642 1 . ALA 114 114 19642 1 . ILE 115 115 19642 1 . GLY 116 116 19642 1 . LEU 117 117 19642 1 . THR 118 118 19642 1 . GLY 119 119 19642 1 . GLN 120 120 19642 1 . ARG 121 121 19642 1 . VAL 122 122 19642 1 . LEU 123 123 19642 1 . GLY 124 124 19642 1 . VAL 125 125 19642 1 . PRO 126 126 19642 1 . ILE 127 127 19642 1 . ILE 128 128 19642 1 . VAL 129 129 19642 1 . GLN 130 130 19642 1 . ALA 131 131 19642 1 . SER 132 132 19642 1 . GLN 133 133 19642 1 . ALA 134 134 19642 1 . GLU 135 135 19642 1 . LYS 136 136 19642 1 . ASN 137 137 19642 1 . ARG 138 138 19642 1 . VAL 139 139 19642 1 . PRO 140 140 19642 1 . ILE 141 141 19642 1 . ILE 142 142 19642 1 . VAL 143 143 19642 1 . GLN 144 144 19642 1 . ALA 145 145 19642 1 . SER 146 146 19642 1 . GLN 147 147 19642 1 . ALA 148 148 19642 1 . GLU 149 149 19642 1 . LYS 150 150 19642 1 . ASN 151 151 19642 1 . ARG 152 152 19642 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 19642 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19642 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 19642 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pSpeedET . . . . . . 19642 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19642 _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 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.6 . . mM . . . . 19642 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19642 1 3 'sodium acetate' '[U-99% 2H]' . . . . . . 10 . . mM . . . . 19642 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19642 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19642 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19642 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19642 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 19642 _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' 0.220 . M 19642 1 pH 5 . pH 19642 1 pressure 1 . atm 19642 1 temperature 298 . K 19642 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19642 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 19642 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19642 1 stop_ save_ save_Opalp _Software.Sf_category software _Software.Sf_framecode Opalp _Software.Entry_ID 19642 _Software.ID 2 _Software.Name Opalp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19642 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19642 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19642 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19642 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19642 3 'data analysis' 19642 3 processing 19642 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19642 _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 19642 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19642 _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 . . . 19642 1 2 spectrometer_2 Bruker Avance . 800 . . . 19642 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 19642 _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 . . . . . . . . . . . . . . . . . . . . . 19642 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19642 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19642 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19642 1 5 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19642 1 6 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19642 1 7 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19642 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 19642 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19642 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19642 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19642 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 19642 _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' . . . 19642 1 2 '3D 1H-13C NOESY aliphatic' . . . 19642 1 3 '3D 1H-13C NOESY aromatic' . . . 19642 1 4 '3D 1H-15N NOESY' . . . 19642 1 5 '4D APSY HACANH' . . . 19642 1 6 '5D APSY CBCACONH' . . . 19642 1 7 '5D APSY HACACONH' . . . 19642 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.857 0.000 . . . . . A 1 GLY QA . 19642 1 2 . 1 1 1 1 GLY HA3 H 1 3.857 0.000 . . . . . A 1 GLY QA . 19642 1 3 . 1 1 1 1 GLY CA C 13 43.303 0.000 . . . . . A 1 GLY CA . 19642 1 4 . 1 1 2 2 HIS HA H 1 4.693 0.000 . . . . . A 2 HIS HA . 19642 1 5 . 1 1 2 2 HIS HB2 H 1 3.145 0.000 . . . . . A 2 HIS HB2 . 19642 1 6 . 1 1 2 2 HIS HB3 H 1 3.183 0.000 . . . . . A 2 HIS HB3 . 19642 1 7 . 1 1 2 2 HIS HD2 H 1 7.134 0.000 . . . . . A 2 HIS HD2 . 19642 1 8 . 1 1 2 2 HIS HE1 H 1 8.192 0.000 . . . . . A 2 HIS HE1 . 19642 1 9 . 1 1 2 2 HIS C C 13 175.244 0.000 . . . . . A 2 HIS C . 19642 1 10 . 1 1 2 2 HIS CA C 13 55.849 0.000 . . . . . A 2 HIS CA . 19642 1 11 . 1 1 2 2 HIS CB C 13 30.165 0.000 . . . . . A 2 HIS CB . 19642 1 12 . 1 1 2 2 HIS CD2 C 13 116.910 0.000 . . . . . A 2 HIS CD2 . 19642 1 13 . 1 1 2 2 HIS CE1 C 13 134.805 0.000 . . . . . A 2 HIS CE1 . 19642 1 14 . 1 1 3 3 MET HA H 1 4.464 0.000 . . . . . A 3 MET HA . 19642 1 15 . 1 1 3 3 MET HB2 H 1 2.055 0.000 . . . . . A 3 MET QB . 19642 1 16 . 1 1 3 3 MET HB3 H 1 2.055 0.000 . . . . . A 3 MET QB . 19642 1 17 . 1 1 3 3 MET HE1 H 1 2.095 0.000 . . . . . A 3 MET QE . 19642 1 18 . 1 1 3 3 MET HE2 H 1 2.095 0.000 . . . . . A 3 MET QE . 19642 1 19 . 1 1 3 3 MET HE3 H 1 2.095 0.000 . . . . . A 3 MET QE . 19642 1 20 . 1 1 3 3 MET C C 13 175.896 0.000 . . . . . A 3 MET C . 19642 1 21 . 1 1 3 3 MET CA C 13 55.188 0.000 . . . . . A 3 MET CA . 19642 1 22 . 1 1 3 3 MET CB C 13 32.736 0.000 . . . . . A 3 MET CB . 19642 1 23 . 1 1 3 3 MET CE C 13 16.700 0.000 . . . . . A 3 MET CE . 19642 1 24 . 1 1 4 4 ASN H H 1 8.564 0.000 . . . . . A 4 ASN H . 19642 1 25 . 1 1 4 4 ASN HA H 1 4.752 0.000 . . . . . A 4 ASN HA . 19642 1 26 . 1 1 4 4 ASN HB2 H 1 2.805 0.000 . . . . . A 4 ASN HB2 . 19642 1 27 . 1 1 4 4 ASN HB3 H 1 2.703 0.000 . . . . . A 4 ASN HB3 . 19642 1 28 . 1 1 4 4 ASN HD21 H 1 7.607 0.000 . . . . . A 4 ASN HD21 . 19642 1 29 . 1 1 4 4 ASN HD22 H 1 6.942 0.000 . . . . . A 4 ASN HD22 . 19642 1 30 . 1 1 4 4 ASN C C 13 175.033 0.000 . . . . . A 4 ASN C . 19642 1 31 . 1 1 4 4 ASN CA C 13 52.728 0.000 . . . . . A 4 ASN CA . 19642 1 32 . 1 1 4 4 ASN CB C 13 38.604 0.000 . . . . . A 4 ASN CB . 19642 1 33 . 1 1 4 4 ASN N N 15 120.610 0.000 . . . . . A 4 ASN N . 19642 1 34 . 1 1 4 4 ASN ND2 N 15 112.845 0.000 . . . . . A 4 ASN ND2 . 19642 1 35 . 1 1 5 5 LEU H H 1 8.046 0.000 . . . . . A 5 LEU H . 19642 1 36 . 1 1 5 5 LEU HA H 1 4.610 0.000 . . . . . A 5 LEU HA . 19642 1 37 . 1 1 5 5 LEU HB2 H 1 1.592 0.000 . . . . . A 5 LEU HB2 . 19642 1 38 . 1 1 5 5 LEU HB3 H 1 1.543 0.000 . . . . . A 5 LEU HB3 . 19642 1 39 . 1 1 5 5 LEU HG H 1 1.661 0.000 . . . . . A 5 LEU HG . 19642 1 40 . 1 1 5 5 LEU HD11 H 1 0.850 0.000 . . . . . A 5 LEU QD1 . 19642 1 41 . 1 1 5 5 LEU HD12 H 1 0.850 0.000 . . . . . A 5 LEU QD1 . 19642 1 42 . 1 1 5 5 LEU HD13 H 1 0.850 0.000 . . . . . A 5 LEU QD1 . 19642 1 43 . 1 1 5 5 LEU HD21 H 1 0.816 0.000 . . . . . A 5 LEU QD2 . 19642 1 44 . 1 1 5 5 LEU HD22 H 1 0.816 0.000 . . . . . A 5 LEU QD2 . 19642 1 45 . 1 1 5 5 LEU HD23 H 1 0.816 0.000 . . . . . A 5 LEU QD2 . 19642 1 46 . 1 1 5 5 LEU C C 13 178.178 0.000 . . . . . A 5 LEU C . 19642 1 47 . 1 1 5 5 LEU CA C 13 54.305 0.000 . . . . . A 5 LEU CA . 19642 1 48 . 1 1 5 5 LEU CB C 13 43.343 0.000 . . . . . A 5 LEU CB . 19642 1 49 . 1 1 5 5 LEU CG C 13 26.928 0.000 . . . . . A 5 LEU CG . 19642 1 50 . 1 1 5 5 LEU CD1 C 13 25.840 0.000 . . . . . A 5 LEU CD1 . 19642 1 51 . 1 1 5 5 LEU CD2 C 13 22.938 0.000 . . . . . A 5 LEU CD2 . 19642 1 52 . 1 1 5 5 LEU N N 15 122.314 0.000 . . . . . A 5 LEU N . 19642 1 53 . 1 1 6 6 THR H H 1 8.948 0.000 . . . . . A 6 THR H . 19642 1 54 . 1 1 6 6 THR HA H 1 4.626 0.000 . . . . . A 6 THR HA . 19642 1 55 . 1 1 6 6 THR HB H 1 4.702 0.000 . . . . . A 6 THR HB . 19642 1 56 . 1 1 6 6 THR HG21 H 1 1.368 0.000 . . . . . A 6 THR QG2 . 19642 1 57 . 1 1 6 6 THR HG22 H 1 1.368 0.000 . . . . . A 6 THR QG2 . 19642 1 58 . 1 1 6 6 THR HG23 H 1 1.368 0.000 . . . . . A 6 THR QG2 . 19642 1 59 . 1 1 6 6 THR CA C 13 60.039 0.000 . . . . . A 6 THR CA . 19642 1 60 . 1 1 6 6 THR CB C 13 68.119 0.000 . . . . . A 6 THR CB . 19642 1 61 . 1 1 6 6 THR CG2 C 13 21.908 0.000 . . . . . A 6 THR CG2 . 19642 1 62 . 1 1 6 6 THR N N 15 115.483 0.000 . . . . . A 6 THR N . 19642 1 63 . 1 1 7 7 PRO HA H 1 4.143 0.000 . . . . . A 7 PRO HA . 19642 1 64 . 1 1 7 7 PRO HB2 H 1 2.365 0.000 . . . . . A 7 PRO HB2 . 19642 1 65 . 1 1 7 7 PRO HB3 H 1 1.909 0.000 . . . . . A 7 PRO HB3 . 19642 1 66 . 1 1 7 7 PRO HG2 H 1 2.387 0.000 . . . . . A 7 PRO QG . 19642 1 67 . 1 1 7 7 PRO HG3 H 1 2.387 0.000 . . . . . A 7 PRO QG . 19642 1 68 . 1 1 7 7 PRO HD2 H 1 3.870 0.000 . . . . . A 7 PRO HD2 . 19642 1 69 . 1 1 7 7 PRO HD3 H 1 3.943 0.000 . . . . . A 7 PRO HD3 . 19642 1 70 . 1 1 7 7 PRO CA C 13 65.573 0.000 . . . . . A 7 PRO CA . 19642 1 71 . 1 1 7 7 PRO CB C 13 31.640 0.000 . . . . . A 7 PRO CB . 19642 1 72 . 1 1 7 7 PRO CG C 13 28.155 0.000 . . . . . A 7 PRO CG . 19642 1 73 . 1 1 7 7 PRO CD C 13 49.749 0.000 . . . . . A 7 PRO CD . 19642 1 74 . 1 1 8 8 GLU H H 1 8.753 0.000 . . . . . A 8 GLU H . 19642 1 75 . 1 1 8 8 GLU HA H 1 4.111 0.000 . . . . . A 8 GLU HA . 19642 1 76 . 1 1 8 8 GLU HB2 H 1 1.968 0.000 . . . . . A 8 GLU HB2 . 19642 1 77 . 1 1 8 8 GLU HB3 H 1 2.061 0.000 . . . . . A 8 GLU HB3 . 19642 1 78 . 1 1 8 8 GLU HG2 H 1 2.319 0.000 . . . . . A 8 GLU HG2 . 19642 1 79 . 1 1 8 8 GLU HG3 H 1 2.435 0.000 . . . . . A 8 GLU HG3 . 19642 1 80 . 1 1 8 8 GLU CA C 13 59.572 0.000 . . . . . A 8 GLU CA . 19642 1 81 . 1 1 8 8 GLU CB C 13 28.889 0.000 . . . . . A 8 GLU CB . 19642 1 82 . 1 1 8 8 GLU CG C 13 36.689 0.000 . . . . . A 8 GLU CG . 19642 1 83 . 1 1 8 8 GLU N N 15 116.691 0.000 . . . . . A 8 GLU N . 19642 1 84 . 1 1 9 9 GLU H H 1 7.823 0.000 . . . . . A 9 GLU H . 19642 1 85 . 1 1 9 9 GLU HA H 1 4.041 0.000 . . . . . A 9 GLU HA . 19642 1 86 . 1 1 9 9 GLU HB2 H 1 1.977 0.000 . . . . . A 9 GLU HB2 . 19642 1 87 . 1 1 9 9 GLU HB3 H 1 2.363 0.000 . . . . . A 9 GLU HB3 . 19642 1 88 . 1 1 9 9 GLU HG2 H 1 2.437 0.000 . . . . . A 9 GLU HG2 . 19642 1 89 . 1 1 9 9 GLU HG3 H 1 2.272 0.000 . . . . . A 9 GLU HG3 . 19642 1 90 . 1 1 9 9 GLU C C 13 180.194 0.000 . . . . . A 9 GLU C . 19642 1 91 . 1 1 9 9 GLU CA C 13 58.527 0.000 . . . . . A 9 GLU CA . 19642 1 92 . 1 1 9 9 GLU CB C 13 30.566 0.000 . . . . . A 9 GLU CB . 19642 1 93 . 1 1 9 9 GLU CG C 13 37.179 0.000 . . . . . A 9 GLU CG . 19642 1 94 . 1 1 9 9 GLU N N 15 121.235 0.000 . . . . . A 9 GLU N . 19642 1 95 . 1 1 10 10 ARG H H 1 8.363 0.000 . . . . . A 10 ARG H . 19642 1 96 . 1 1 10 10 ARG HA H 1 3.887 0.000 . . . . . A 10 ARG HA . 19642 1 97 . 1 1 10 10 ARG HB2 H 1 1.766 0.000 . . . . . A 10 ARG HB2 . 19642 1 98 . 1 1 10 10 ARG HB3 H 1 1.872 0.000 . . . . . A 10 ARG HB3 . 19642 1 99 . 1 1 10 10 ARG HG2 H 1 1.439 0.000 . . . . . A 10 ARG HG2 . 19642 1 100 . 1 1 10 10 ARG HG3 H 1 1.696 0.000 . . . . . A 10 ARG HG3 . 19642 1 101 . 1 1 10 10 ARG HD2 H 1 3.105 0.000 . . . . . A 10 ARG QD . 19642 1 102 . 1 1 10 10 ARG HD3 H 1 3.105 0.000 . . . . . A 10 ARG QD . 19642 1 103 . 1 1 10 10 ARG C C 13 180.714 0.000 . . . . . A 10 ARG C . 19642 1 104 . 1 1 10 10 ARG CA C 13 59.785 0.000 . . . . . A 10 ARG CA . 19642 1 105 . 1 1 10 10 ARG CB C 13 29.871 0.000 . . . . . A 10 ARG CB . 19642 1 106 . 1 1 10 10 ARG CG C 13 27.705 0.000 . . . . . A 10 ARG CG . 19642 1 107 . 1 1 10 10 ARG CD C 13 43.236 0.000 . . . . . A 10 ARG CD . 19642 1 108 . 1 1 10 10 ARG N N 15 120.373 0.000 . . . . . A 10 ARG N . 19642 1 109 . 1 1 11 11 ASP H H 1 8.709 0.000 . . . . . A 11 ASP H . 19642 1 110 . 1 1 11 11 ASP HA H 1 4.314 0.000 . . . . . A 11 ASP HA . 19642 1 111 . 1 1 11 11 ASP HB2 H 1 2.649 0.000 . . . . . A 11 ASP HB2 . 19642 1 112 . 1 1 11 11 ASP HB3 H 1 2.776 0.000 . . . . . A 11 ASP HB3 . 19642 1 113 . 1 1 11 11 ASP C C 13 179.081 0.000 . . . . . A 11 ASP C . 19642 1 114 . 1 1 11 11 ASP CA C 13 57.683 0.000 . . . . . A 11 ASP CA . 19642 1 115 . 1 1 11 11 ASP CB C 13 40.022 0.000 . . . . . A 11 ASP CB . 19642 1 116 . 1 1 11 11 ASP N N 15 123.103 0.000 . . . . . A 11 ASP N . 19642 1 117 . 1 1 12 12 ALA H H 1 7.615 0.000 . . . . . A 12 ALA H . 19642 1 118 . 1 1 12 12 ALA HA H 1 4.243 0.000 . . . . . A 12 ALA HA . 19642 1 119 . 1 1 12 12 ALA HB1 H 1 1.576 0.000 . . . . . A 12 ALA QB . 19642 1 120 . 1 1 12 12 ALA HB2 H 1 1.576 0.000 . . . . . A 12 ALA QB . 19642 1 121 . 1 1 12 12 ALA HB3 H 1 1.576 0.000 . . . . . A 12 ALA QB . 19642 1 122 . 1 1 12 12 ALA C C 13 177.593 0.000 . . . . . A 12 ALA C . 19642 1 123 . 1 1 12 12 ALA CA C 13 53.808 0.000 . . . . . A 12 ALA CA . 19642 1 124 . 1 1 12 12 ALA CB C 13 18.341 0.000 . . . . . A 12 ALA CB . 19642 1 125 . 1 1 12 12 ALA N N 15 119.926 0.000 . . . . . A 12 ALA N . 19642 1 126 . 1 1 13 13 ARG H H 1 7.204 0.000 . . . . . A 13 ARG H . 19642 1 127 . 1 1 13 13 ARG HA H 1 4.427 0.000 . . . . . A 13 ARG HA . 19642 1 128 . 1 1 13 13 ARG HB2 H 1 2.677 0.000 . . . . . A 13 ARG HB2 . 19642 1 129 . 1 1 13 13 ARG HG2 H 1 1.927 0.000 . . . . . A 13 ARG HG2 . 19642 1 130 . 1 1 13 13 ARG HG3 H 1 1.200 0.000 . . . . . A 13 ARG HG3 . 19642 1 131 . 1 1 13 13 ARG HD2 H 1 3.103 0.000 . . . . . A 13 ARG HD2 . 19642 1 132 . 1 1 13 13 ARG HE H 1 7.116 0.000 . . . . . A 13 ARG HE . 19642 1 133 . 1 1 13 13 ARG C C 13 174.905 0.000 . . . . . A 13 ARG C . 19642 1 134 . 1 1 13 13 ARG CA C 13 55.588 0.000 . . . . . A 13 ARG CA . 19642 1 135 . 1 1 13 13 ARG CB C 13 30.789 0.000 . . . . . A 13 ARG CB . 19642 1 136 . 1 1 13 13 ARG CG C 13 28.767 0.000 . . . . . A 13 ARG CG . 19642 1 137 . 1 1 13 13 ARG CD C 13 43.550 0.000 . . . . . A 13 ARG CD . 19642 1 138 . 1 1 13 13 ARG N N 15 113.504 0.000 . . . . . A 13 ARG N . 19642 1 139 . 1 1 13 13 ARG NE N 15 85.176 0.000 . . . . . A 13 ARG NE . 19642 1 140 . 1 1 14 14 THR H H 1 7.685 0.000 . . . . . A 14 THR H . 19642 1 141 . 1 1 14 14 THR HA H 1 5.589 0.000 . . . . . A 14 THR HA . 19642 1 142 . 1 1 14 14 THR HB H 1 4.231 0.000 . . . . . A 14 THR HB . 19642 1 143 . 1 1 14 14 THR HG21 H 1 1.262 0.000 . . . . . A 14 THR QG2 . 19642 1 144 . 1 1 14 14 THR HG22 H 1 1.262 0.000 . . . . . A 14 THR QG2 . 19642 1 145 . 1 1 14 14 THR HG23 H 1 1.262 0.000 . . . . . A 14 THR QG2 . 19642 1 146 . 1 1 14 14 THR C C 13 174.610 0.000 . . . . . A 14 THR C . 19642 1 147 . 1 1 14 14 THR CA C 13 61.993 0.000 . . . . . A 14 THR CA . 19642 1 148 . 1 1 14 14 THR CB C 13 70.185 0.000 . . . . . A 14 THR CB . 19642 1 149 . 1 1 14 14 THR CG2 C 13 21.746 0.000 . . . . . A 14 THR CG2 . 19642 1 150 . 1 1 14 14 THR N N 15 117.103 0.000 . . . . . A 14 THR N . 19642 1 151 . 1 1 15 15 VAL H H 1 9.154 0.000 . . . . . A 15 VAL H . 19642 1 152 . 1 1 15 15 VAL HA H 1 5.080 0.000 . . . . . A 15 VAL HA . 19642 1 153 . 1 1 15 15 VAL HB H 1 2.245 0.000 . . . . . A 15 VAL HB . 19642 1 154 . 1 1 15 15 VAL HG11 H 1 0.967 0.000 . . . . . A 15 VAL QG1 . 19642 1 155 . 1 1 15 15 VAL HG12 H 1 0.967 0.000 . . . . . A 15 VAL QG1 . 19642 1 156 . 1 1 15 15 VAL HG13 H 1 0.967 0.000 . . . . . A 15 VAL QG1 . 19642 1 157 . 1 1 15 15 VAL HG21 H 1 0.563 0.000 . . . . . A 15 VAL QG2 . 19642 1 158 . 1 1 15 15 VAL HG22 H 1 0.563 0.000 . . . . . A 15 VAL QG2 . 19642 1 159 . 1 1 15 15 VAL HG23 H 1 0.563 0.000 . . . . . A 15 VAL QG2 . 19642 1 160 . 1 1 15 15 VAL C C 13 173.786 0.000 . . . . . A 15 VAL C . 19642 1 161 . 1 1 15 15 VAL CA C 13 58.585 0.000 . . . . . A 15 VAL CA . 19642 1 162 . 1 1 15 15 VAL CB C 13 33.823 0.000 . . . . . A 15 VAL CB . 19642 1 163 . 1 1 15 15 VAL CG1 C 13 23.471 0.000 . . . . . A 15 VAL CG1 . 19642 1 164 . 1 1 15 15 VAL CG2 C 13 18.730 0.000 . . . . . A 15 VAL CG2 . 19642 1 165 . 1 1 15 15 VAL N N 15 117.127 0.000 . . . . . A 15 VAL N . 19642 1 166 . 1 1 16 16 PHE H H 1 9.359 0.000 . . . . . A 16 PHE H . 19642 1 167 . 1 1 16 16 PHE HA H 1 5.183 0.000 . . . . . A 16 PHE HA . 19642 1 168 . 1 1 16 16 PHE HB2 H 1 2.786 0.000 . . . . . A 16 PHE HB2 . 19642 1 169 . 1 1 16 16 PHE HB3 H 1 2.682 0.000 . . . . . A 16 PHE HB3 . 19642 1 170 . 1 1 16 16 PHE HD1 H 1 6.678 0.000 . . . . . A 16 PHE QD . 19642 1 171 . 1 1 16 16 PHE HD2 H 1 6.678 0.000 . . . . . A 16 PHE QD . 19642 1 172 . 1 1 16 16 PHE HE1 H 1 7.121 0.000 . . . . . A 16 PHE QE . 19642 1 173 . 1 1 16 16 PHE HE2 H 1 7.121 0.000 . . . . . A 16 PHE QE . 19642 1 174 . 1 1 16 16 PHE HZ H 1 7.174 0.000 . . . . . A 16 PHE HZ . 19642 1 175 . 1 1 16 16 PHE C C 13 174.520 0.000 . . . . . A 16 PHE C . 19642 1 176 . 1 1 16 16 PHE CA C 13 54.981 0.000 . . . . . A 16 PHE CA . 19642 1 177 . 1 1 16 16 PHE CB C 13 42.266 0.000 . . . . . A 16 PHE CB . 19642 1 178 . 1 1 16 16 PHE CD1 C 13 128.581 0.000 . . . . . A 16 PHE CD1 . 19642 1 179 . 1 1 16 16 PHE CD2 C 13 128.581 0.000 . . . . . A 16 PHE CD2 . 19642 1 180 . 1 1 16 16 PHE CE1 C 13 128.506 0.000 . . . . . A 16 PHE CE1 . 19642 1 181 . 1 1 16 16 PHE CE2 C 13 128.506 0.000 . . . . . A 16 PHE CE2 . 19642 1 182 . 1 1 16 16 PHE CZ C 13 126.734 0.000 . . . . . A 16 PHE CZ . 19642 1 183 . 1 1 16 16 PHE N N 15 122.697 0.000 . . . . . A 16 PHE N . 19642 1 184 . 1 1 17 17 CYS H H 1 8.931 0.000 . . . . . A 17 CYS H . 19642 1 185 . 1 1 17 17 CYS HA H 1 5.567 0.000 . . . . . A 17 CYS HA . 19642 1 186 . 1 1 17 17 CYS HB2 H 1 2.620 0.000 . . . . . A 17 CYS HB2 . 19642 1 187 . 1 1 17 17 CYS HB3 H 1 2.748 0.000 . . . . . A 17 CYS HB3 . 19642 1 188 . 1 1 17 17 CYS C C 13 173.018 0.000 . . . . . A 17 CYS C . 19642 1 189 . 1 1 17 17 CYS CA C 13 55.708 0.000 . . . . . A 17 CYS CA . 19642 1 190 . 1 1 17 17 CYS CB C 13 30.776 0.000 . . . . . A 17 CYS CB . 19642 1 191 . 1 1 17 17 CYS N N 15 122.356 0.000 . . . . . A 17 CYS N . 19642 1 192 . 1 1 18 18 MET H H 1 8.818 0.000 . . . . . A 18 MET H . 19642 1 193 . 1 1 18 18 MET HA H 1 4.846 0.000 . . . . . A 18 MET HA . 19642 1 194 . 1 1 18 18 MET HB2 H 1 2.312 0.000 . . . . . A 18 MET HB2 . 19642 1 195 . 1 1 18 18 MET HB3 H 1 2.123 0.000 . . . . . A 18 MET HB3 . 19642 1 196 . 1 1 18 18 MET HG2 H 1 1.893 0.000 . . . . . A 18 MET HG2 . 19642 1 197 . 1 1 18 18 MET HG3 H 1 2.035 0.000 . . . . . A 18 MET HG3 . 19642 1 198 . 1 1 18 18 MET HE1 H 1 2.046 0.000 . . . . . A 18 MET QE . 19642 1 199 . 1 1 18 18 MET HE2 H 1 2.046 0.000 . . . . . A 18 MET QE . 19642 1 200 . 1 1 18 18 MET HE3 H 1 2.046 0.000 . . . . . A 18 MET QE . 19642 1 201 . 1 1 18 18 MET C C 13 173.706 0.000 . . . . . A 18 MET C . 19642 1 202 . 1 1 18 18 MET CA C 13 53.623 0.000 . . . . . A 18 MET CA . 19642 1 203 . 1 1 18 18 MET CB C 13 31.772 0.000 . . . . . A 18 MET CB . 19642 1 204 . 1 1 18 18 MET CG C 13 36.997 0.000 . . . . . A 18 MET CG . 19642 1 205 . 1 1 18 18 MET CE C 13 17.089 0.000 . . . . . A 18 MET CE . 19642 1 206 . 1 1 18 18 MET N N 15 117.884 0.000 . . . . . A 18 MET N . 19642 1 207 . 1 1 19 19 GLN H H 1 8.463 0.000 . . . . . A 19 GLN H . 19642 1 208 . 1 1 19 19 GLN HA H 1 3.698 0.000 . . . . . A 19 GLN HA . 19642 1 209 . 1 1 19 19 GLN HB2 H 1 2.126 0.000 . . . . . A 19 GLN HB2 . 19642 1 210 . 1 1 19 19 GLN HB3 H 1 2.782 0.000 . . . . . A 19 GLN HB3 . 19642 1 211 . 1 1 19 19 GLN HG2 H 1 2.483 0.000 . . . . . A 19 GLN HG2 . 19642 1 212 . 1 1 19 19 GLN HG3 H 1 2.038 0.000 . . . . . A 19 GLN HG3 . 19642 1 213 . 1 1 19 19 GLN HE21 H 1 8.106 0.000 . . . . . A 19 GLN HE21 . 19642 1 214 . 1 1 19 19 GLN HE22 H 1 7.054 0.000 . . . . . A 19 GLN HE22 . 19642 1 215 . 1 1 19 19 GLN C C 13 173.403 0.000 . . . . . A 19 GLN C . 19642 1 216 . 1 1 19 19 GLN CA C 13 57.009 0.000 . . . . . A 19 GLN CA . 19642 1 217 . 1 1 19 19 GLN CB C 13 27.922 0.000 . . . . . A 19 GLN CB . 19642 1 218 . 1 1 19 19 GLN CG C 13 36.318 0.000 . . . . . A 19 GLN CG . 19642 1 219 . 1 1 19 19 GLN N N 15 115.022 0.000 . . . . . A 19 GLN N . 19642 1 220 . 1 1 19 19 GLN NE2 N 15 112.125 0.000 . . . . . A 19 GLN NE2 . 19642 1 221 . 1 1 20 20 LEU H H 1 7.685 0.000 . . . . . A 20 LEU H . 19642 1 222 . 1 1 20 20 LEU HA H 1 4.254 0.000 . . . . . A 20 LEU HA . 19642 1 223 . 1 1 20 20 LEU HB2 H 1 1.406 0.000 . . . . . A 20 LEU HB2 . 19642 1 224 . 1 1 20 20 LEU HB3 H 1 1.225 0.000 . . . . . A 20 LEU HB3 . 19642 1 225 . 1 1 20 20 LEU HG H 1 1.312 0.000 . . . . . A 20 LEU HG . 19642 1 226 . 1 1 20 20 LEU HD11 H 1 0.544 0.000 . . . . . A 20 LEU QD1 . 19642 1 227 . 1 1 20 20 LEU HD12 H 1 0.544 0.000 . . . . . A 20 LEU QD1 . 19642 1 228 . 1 1 20 20 LEU HD13 H 1 0.544 0.000 . . . . . A 20 LEU QD1 . 19642 1 229 . 1 1 20 20 LEU HD21 H 1 0.639 0.000 . . . . . A 20 LEU QD2 . 19642 1 230 . 1 1 20 20 LEU HD22 H 1 0.639 0.000 . . . . . A 20 LEU QD2 . 19642 1 231 . 1 1 20 20 LEU HD23 H 1 0.639 0.000 . . . . . A 20 LEU QD2 . 19642 1 232 . 1 1 20 20 LEU C C 13 177.827 0.000 . . . . . A 20 LEU C . 19642 1 233 . 1 1 20 20 LEU CA C 13 52.595 0.000 . . . . . A 20 LEU CA . 19642 1 234 . 1 1 20 20 LEU CB C 13 43.258 0.000 . . . . . A 20 LEU CB . 19642 1 235 . 1 1 20 20 LEU CG C 13 26.874 0.000 . . . . . A 20 LEU CG . 19642 1 236 . 1 1 20 20 LEU CD1 C 13 26.419 0.000 . . . . . A 20 LEU CD1 . 19642 1 237 . 1 1 20 20 LEU CD2 C 13 22.928 0.000 . . . . . A 20 LEU CD2 . 19642 1 238 . 1 1 20 20 LEU N N 15 116.032 0.000 . . . . . A 20 LEU N . 19642 1 239 . 1 1 21 21 ALA H H 1 9.473 0.000 . . . . . A 21 ALA H . 19642 1 240 . 1 1 21 21 ALA HA H 1 4.145 0.000 . . . . . A 21 ALA HA . 19642 1 241 . 1 1 21 21 ALA HB1 H 1 1.423 0.000 . . . . . A 21 ALA QB . 19642 1 242 . 1 1 21 21 ALA HB2 H 1 1.423 0.000 . . . . . A 21 ALA QB . 19642 1 243 . 1 1 21 21 ALA HB3 H 1 1.423 0.000 . . . . . A 21 ALA QB . 19642 1 244 . 1 1 21 21 ALA C C 13 178.868 0.000 . . . . . A 21 ALA C . 19642 1 245 . 1 1 21 21 ALA CA C 13 51.661 0.000 . . . . . A 21 ALA CA . 19642 1 246 . 1 1 21 21 ALA CB C 13 19.354 0.000 . . . . . A 21 ALA CB . 19642 1 247 . 1 1 21 21 ALA N N 15 125.644 0.000 . . . . . A 21 ALA N . 19642 1 248 . 1 1 22 22 ALA H H 1 8.583 0.000 . . . . . A 22 ALA H . 19642 1 249 . 1 1 22 22 ALA HA H 1 4.109 0.000 . . . . . A 22 ALA HA . 19642 1 250 . 1 1 22 22 ALA HB1 H 1 1.462 0.000 . . . . . A 22 ALA QB . 19642 1 251 . 1 1 22 22 ALA HB2 H 1 1.462 0.000 . . . . . A 22 ALA QB . 19642 1 252 . 1 1 22 22 ALA HB3 H 1 1.462 0.000 . . . . . A 22 ALA QB . 19642 1 253 . 1 1 22 22 ALA C C 13 179.705 0.000 . . . . . A 22 ALA C . 19642 1 254 . 1 1 22 22 ALA CA C 13 54.560 0.000 . . . . . A 22 ALA CA . 19642 1 255 . 1 1 22 22 ALA CB C 13 18.358 0.000 . . . . . A 22 ALA CB . 19642 1 256 . 1 1 22 22 ALA N N 15 124.495 0.000 . . . . . A 22 ALA N . 19642 1 257 . 1 1 23 23 ARG H H 1 7.905 0.000 . . . . . A 23 ARG H . 19642 1 258 . 1 1 23 23 ARG HA H 1 4.368 0.000 . . . . . A 23 ARG HA . 19642 1 259 . 1 1 23 23 ARG HB2 H 1 1.915 0.000 . . . . . A 23 ARG QB . 19642 1 260 . 1 1 23 23 ARG HB3 H 1 1.915 0.000 . . . . . A 23 ARG QB . 19642 1 261 . 1 1 23 23 ARG HG2 H 1 1.582 0.000 . . . . . A 23 ARG QG . 19642 1 262 . 1 1 23 23 ARG HG3 H 1 1.582 0.000 . . . . . A 23 ARG QG . 19642 1 263 . 1 1 23 23 ARG HD2 H 1 3.194 0.000 . . . . . A 23 ARG QD . 19642 1 264 . 1 1 23 23 ARG HD3 H 1 3.194 0.000 . . . . . A 23 ARG QD . 19642 1 265 . 1 1 23 23 ARG C C 13 176.243 0.000 . . . . . A 23 ARG C . 19642 1 266 . 1 1 23 23 ARG CA C 13 55.136 0.000 . . . . . A 23 ARG CA . 19642 1 267 . 1 1 23 23 ARG CB C 13 29.161 0.000 . . . . . A 23 ARG CB . 19642 1 268 . 1 1 23 23 ARG CG C 13 27.210 0.000 . . . . . A 23 ARG CG . 19642 1 269 . 1 1 23 23 ARG CD C 13 43.317 0.000 . . . . . A 23 ARG CD . 19642 1 270 . 1 1 23 23 ARG N N 15 111.716 0.000 . . . . . A 23 ARG N . 19642 1 271 . 1 1 24 24 ILE H H 1 7.270 0.000 . . . . . A 24 ILE H . 19642 1 272 . 1 1 24 24 ILE HA H 1 3.892 0.000 . . . . . A 24 ILE HA . 19642 1 273 . 1 1 24 24 ILE HB H 1 1.858 0.000 . . . . . A 24 ILE HB . 19642 1 274 . 1 1 24 24 ILE HG12 H 1 1.603 0.000 . . . . . A 24 ILE HG12 . 19642 1 275 . 1 1 24 24 ILE HG13 H 1 1.338 0.000 . . . . . A 24 ILE HG13 . 19642 1 276 . 1 1 24 24 ILE HG21 H 1 0.817 0.000 . . . . . A 24 ILE QG2 . 19642 1 277 . 1 1 24 24 ILE HG22 H 1 0.817 0.000 . . . . . A 24 ILE QG2 . 19642 1 278 . 1 1 24 24 ILE HG23 H 1 0.817 0.000 . . . . . A 24 ILE QG2 . 19642 1 279 . 1 1 24 24 ILE HD11 H 1 0.883 0.000 . . . . . A 24 ILE QD1 . 19642 1 280 . 1 1 24 24 ILE HD12 H 1 0.883 0.000 . . . . . A 24 ILE QD1 . 19642 1 281 . 1 1 24 24 ILE HD13 H 1 0.883 0.000 . . . . . A 24 ILE QD1 . 19642 1 282 . 1 1 24 24 ILE C C 13 173.297 0.000 . . . . . A 24 ILE C . 19642 1 283 . 1 1 24 24 ILE CA C 13 61.336 0.000 . . . . . A 24 ILE CA . 19642 1 284 . 1 1 24 24 ILE CB C 13 38.751 0.000 . . . . . A 24 ILE CB . 19642 1 285 . 1 1 24 24 ILE CG1 C 13 29.945 0.000 . . . . . A 24 ILE CG1 . 19642 1 286 . 1 1 24 24 ILE CG2 C 13 18.248 0.000 . . . . . A 24 ILE CG2 . 19642 1 287 . 1 1 24 24 ILE CD1 C 13 15.165 0.000 . . . . . A 24 ILE CD1 . 19642 1 288 . 1 1 24 24 ILE N N 15 121.734 0.000 . . . . . A 24 ILE N . 19642 1 289 . 1 1 25 25 ARG H H 1 8.994 0.000 . . . . . A 25 ARG H . 19642 1 290 . 1 1 25 25 ARG HA H 1 4.955 0.000 . . . . . A 25 ARG HA . 19642 1 291 . 1 1 25 25 ARG HB2 H 1 2.103 0.000 . . . . . A 25 ARG HB2 . 19642 1 292 . 1 1 25 25 ARG HB3 H 1 1.683 0.000 . . . . . A 25 ARG HB3 . 19642 1 293 . 1 1 25 25 ARG HG2 H 1 1.834 0.000 . . . . . A 25 ARG HG2 . 19642 1 294 . 1 1 25 25 ARG HG3 H 1 1.868 0.000 . . . . . A 25 ARG HG3 . 19642 1 295 . 1 1 25 25 ARG HD2 H 1 3.361 0.000 . . . . . A 25 ARG HD2 . 19642 1 296 . 1 1 25 25 ARG CA C 13 52.417 0.000 . . . . . A 25 ARG CA . 19642 1 297 . 1 1 25 25 ARG CB C 13 30.964 0.000 . . . . . A 25 ARG CB . 19642 1 298 . 1 1 25 25 ARG CG C 13 26.028 0.000 . . . . . A 25 ARG CG . 19642 1 299 . 1 1 25 25 ARG CD C 13 43.243 0.000 . . . . . A 25 ARG CD . 19642 1 300 . 1 1 25 25 ARG N N 15 125.810 0.000 . . . . . A 25 ARG N . 19642 1 301 . 1 1 26 26 PRO HA H 1 4.060 0.000 . . . . . A 26 PRO HA . 19642 1 302 . 1 1 26 26 PRO HB2 H 1 2.244 0.000 . . . . . A 26 PRO HB2 . 19642 1 303 . 1 1 26 26 PRO HB3 H 1 2.115 0.000 . . . . . A 26 PRO HB3 . 19642 1 304 . 1 1 26 26 PRO HG2 H 1 2.212 0.000 . . . . . A 26 PRO HG2 . 19642 1 305 . 1 1 26 26 PRO HG3 H 1 1.996 0.000 . . . . . A 26 PRO HG3 . 19642 1 306 . 1 1 26 26 PRO HD2 H 1 3.896 0.000 . . . . . A 26 PRO QD . 19642 1 307 . 1 1 26 26 PRO HD3 H 1 3.896 0.000 . . . . . A 26 PRO QD . 19642 1 308 . 1 1 26 26 PRO CA C 13 66.672 0.000 . . . . . A 26 PRO CA . 19642 1 309 . 1 1 26 26 PRO CB C 13 31.460 0.000 . . . . . A 26 PRO CB . 19642 1 310 . 1 1 26 26 PRO CG C 13 28.054 0.000 . . . . . A 26 PRO CG . 19642 1 311 . 1 1 26 26 PRO CD C 13 50.020 0.000 . . . . . A 26 PRO CD . 19642 1 312 . 1 1 27 27 ARG H H 1 8.362 0.000 . . . . . A 27 ARG H . 19642 1 313 . 1 1 27 27 ARG HA H 1 4.240 0.000 . . . . . A 27 ARG HA . 19642 1 314 . 1 1 27 27 ARG HB2 H 1 1.687 0.000 . . . . . A 27 ARG HB2 . 19642 1 315 . 1 1 27 27 ARG HB3 H 1 2.006 0.000 . . . . . A 27 ARG HB3 . 19642 1 316 . 1 1 27 27 ARG HG2 H 1 1.696 0.000 . . . . . A 27 ARG HG2 . 19642 1 317 . 1 1 27 27 ARG HG3 H 1 1.647 0.000 . . . . . A 27 ARG HG3 . 19642 1 318 . 1 1 27 27 ARG HD2 H 1 3.238 0.000 . . . . . A 27 ARG QD . 19642 1 319 . 1 1 27 27 ARG HD3 H 1 3.238 0.000 . . . . . A 27 ARG QD . 19642 1 320 . 1 1 27 27 ARG C C 13 178.376 0.000 . . . . . A 27 ARG C . 19642 1 321 . 1 1 27 27 ARG CA C 13 58.115 0.000 . . . . . A 27 ARG CA . 19642 1 322 . 1 1 27 27 ARG CB C 13 29.541 0.000 . . . . . A 27 ARG CB . 19642 1 323 . 1 1 27 27 ARG CG C 13 26.004 0.000 . . . . . A 27 ARG CG . 19642 1 324 . 1 1 27 27 ARG CD C 13 43.240 0.000 . . . . . A 27 ARG CD . 19642 1 325 . 1 1 27 27 ARG N N 15 114.118 0.000 . . . . . A 27 ARG N . 19642 1 326 . 1 1 28 28 ASP H H 1 7.688 0.000 . . . . . A 28 ASP H . 19642 1 327 . 1 1 28 28 ASP HA H 1 4.461 0.000 . . . . . A 28 ASP HA . 19642 1 328 . 1 1 28 28 ASP HB2 H 1 2.486 0.000 . . . . . A 28 ASP HB2 . 19642 1 329 . 1 1 28 28 ASP HB3 H 1 2.936 0.000 . . . . . A 28 ASP HB3 . 19642 1 330 . 1 1 28 28 ASP C C 13 180.328 0.000 . . . . . A 28 ASP C . 19642 1 331 . 1 1 28 28 ASP CA C 13 57.527 0.000 . . . . . A 28 ASP CA . 19642 1 332 . 1 1 28 28 ASP CB C 13 41.564 0.000 . . . . . A 28 ASP CB . 19642 1 333 . 1 1 28 28 ASP N N 15 116.954 0.000 . . . . . A 28 ASP N . 19642 1 334 . 1 1 29 29 LEU H H 1 7.173 0.000 . . . . . A 29 LEU H . 19642 1 335 . 1 1 29 29 LEU HA H 1 4.317 0.000 . . . . . A 29 LEU HA . 19642 1 336 . 1 1 29 29 LEU HB2 H 1 1.514 0.000 . . . . . A 29 LEU HB2 . 19642 1 337 . 1 1 29 29 LEU HB3 H 1 2.178 0.000 . . . . . A 29 LEU HB3 . 19642 1 338 . 1 1 29 29 LEU HG H 1 1.625 0.000 . . . . . A 29 LEU HG . 19642 1 339 . 1 1 29 29 LEU HD11 H 1 0.738 0.000 . . . . . A 29 LEU QD1 . 19642 1 340 . 1 1 29 29 LEU HD12 H 1 0.738 0.000 . . . . . A 29 LEU QD1 . 19642 1 341 . 1 1 29 29 LEU HD13 H 1 0.738 0.000 . . . . . A 29 LEU QD1 . 19642 1 342 . 1 1 29 29 LEU HD21 H 1 0.818 0.000 . . . . . A 29 LEU QD2 . 19642 1 343 . 1 1 29 29 LEU HD22 H 1 0.818 0.000 . . . . . A 29 LEU QD2 . 19642 1 344 . 1 1 29 29 LEU HD23 H 1 0.818 0.000 . . . . . A 29 LEU QD2 . 19642 1 345 . 1 1 29 29 LEU C C 13 178.541 0.000 . . . . . A 29 LEU C . 19642 1 346 . 1 1 29 29 LEU CA C 13 56.849 0.000 . . . . . A 29 LEU CA . 19642 1 347 . 1 1 29 29 LEU CB C 13 41.772 0.000 . . . . . A 29 LEU CB . 19642 1 348 . 1 1 29 29 LEU CG C 13 26.869 0.000 . . . . . A 29 LEU CG . 19642 1 349 . 1 1 29 29 LEU CD1 C 13 26.028 0.000 . . . . . A 29 LEU CD1 . 19642 1 350 . 1 1 29 29 LEU CD2 C 13 22.824 0.000 . . . . . A 29 LEU CD2 . 19642 1 351 . 1 1 29 29 LEU N N 15 117.931 0.000 . . . . . A 29 LEU N . 19642 1 352 . 1 1 30 30 GLU H H 1 8.632 0.000 . . . . . A 30 GLU H . 19642 1 353 . 1 1 30 30 GLU HA H 1 3.788 0.000 . . . . . A 30 GLU HA . 19642 1 354 . 1 1 30 30 GLU HB2 H 1 2.146 0.000 . . . . . A 30 GLU HB2 . 19642 1 355 . 1 1 30 30 GLU HB3 H 1 2.221 0.000 . . . . . A 30 GLU HB3 . 19642 1 356 . 1 1 30 30 GLU HG2 H 1 2.170 0.000 . . . . . A 30 GLU HG2 . 19642 1 357 . 1 1 30 30 GLU HG3 H 1 2.087 0.000 . . . . . A 30 GLU HG3 . 19642 1 358 . 1 1 30 30 GLU C C 13 179.497 0.000 . . . . . A 30 GLU C . 19642 1 359 . 1 1 30 30 GLU CA C 13 60.299 0.000 . . . . . A 30 GLU CA . 19642 1 360 . 1 1 30 30 GLU CB C 13 29.672 0.000 . . . . . A 30 GLU CB . 19642 1 361 . 1 1 30 30 GLU CG C 13 36.028 0.000 . . . . . A 30 GLU CG . 19642 1 362 . 1 1 30 30 GLU N N 15 121.321 0.000 . . . . . A 30 GLU N . 19642 1 363 . 1 1 31 31 GLU H H 1 8.405 0.000 . . . . . A 31 GLU H . 19642 1 364 . 1 1 31 31 GLU HA H 1 4.067 0.000 . . . . . A 31 GLU HA . 19642 1 365 . 1 1 31 31 GLU HB2 H 1 2.145 0.000 . . . . . A 31 GLU HB2 . 19642 1 366 . 1 1 31 31 GLU HG2 H 1 2.518 0.000 . . . . . A 31 GLU HG2 . 19642 1 367 . 1 1 31 31 GLU HG3 H 1 2.328 0.000 . . . . . A 31 GLU HG3 . 19642 1 368 . 1 1 31 31 GLU C C 13 179.635 0.000 . . . . . A 31 GLU C . 19642 1 369 . 1 1 31 31 GLU CA C 13 59.357 0.000 . . . . . A 31 GLU CA . 19642 1 370 . 1 1 31 31 GLU CB C 13 29.496 0.000 . . . . . A 31 GLU CB . 19642 1 371 . 1 1 31 31 GLU CG C 13 36.428 0.000 . . . . . A 31 GLU CG . 19642 1 372 . 1 1 31 31 GLU N N 15 118.162 0.000 . . . . . A 31 GLU N . 19642 1 373 . 1 1 32 32 PHE H H 1 7.767 0.000 . . . . . A 32 PHE H . 19642 1 374 . 1 1 32 32 PHE HA H 1 4.353 0.000 . . . . . A 32 PHE HA . 19642 1 375 . 1 1 32 32 PHE HB2 H 1 3.272 0.000 . . . . . A 32 PHE HB2 . 19642 1 376 . 1 1 32 32 PHE HB3 H 1 2.673 0.000 . . . . . A 32 PHE HB3 . 19642 1 377 . 1 1 32 32 PHE HD1 H 1 6.266 0.000 . . . . . A 32 PHE QD . 19642 1 378 . 1 1 32 32 PHE HD2 H 1 6.266 0.000 . . . . . A 32 PHE QD . 19642 1 379 . 1 1 32 32 PHE HE1 H 1 6.788 0.000 . . . . . A 32 PHE QE . 19642 1 380 . 1 1 32 32 PHE HE2 H 1 6.788 0.000 . . . . . A 32 PHE QE . 19642 1 381 . 1 1 32 32 PHE HZ H 1 6.924 0.000 . . . . . A 32 PHE HZ . 19642 1 382 . 1 1 32 32 PHE C C 13 177.183 0.000 . . . . . A 32 PHE C . 19642 1 383 . 1 1 32 32 PHE CA C 13 60.941 0.000 . . . . . A 32 PHE CA . 19642 1 384 . 1 1 32 32 PHE CB C 13 39.922 0.000 . . . . . A 32 PHE CB . 19642 1 385 . 1 1 32 32 PHE CD1 C 13 128.382 0.000 . . . . . A 32 PHE CD1 . 19642 1 386 . 1 1 32 32 PHE CD2 C 13 128.382 0.000 . . . . . A 32 PHE CD2 . 19642 1 387 . 1 1 32 32 PHE CE1 C 13 128.426 0.000 . . . . . A 32 PHE CE1 . 19642 1 388 . 1 1 32 32 PHE CE2 C 13 128.428 0.000 . . . . . A 32 PHE CE2 . 19642 1 389 . 1 1 32 32 PHE CZ C 13 126.986 0.000 . . . . . A 32 PHE CZ . 19642 1 390 . 1 1 32 32 PHE N N 15 120.127 0.000 . . . . . A 32 PHE N . 19642 1 391 . 1 1 33 33 PHE H H 1 8.489 0.000 . . . . . A 33 PHE H . 19642 1 392 . 1 1 33 33 PHE HA H 1 4.251 0.000 . . . . . A 33 PHE HA . 19642 1 393 . 1 1 33 33 PHE HB2 H 1 3.484 0.000 . . . . . A 33 PHE HB2 . 19642 1 394 . 1 1 33 33 PHE HB3 H 1 2.806 0.000 . . . . . A 33 PHE HB3 . 19642 1 395 . 1 1 33 33 PHE HD1 H 1 6.892 0.000 . . . . . A 33 PHE QD . 19642 1 396 . 1 1 33 33 PHE HD2 H 1 6.892 0.000 . . . . . A 33 PHE QD . 19642 1 397 . 1 1 33 33 PHE HE1 H 1 6.640 0.000 . . . . . A 33 PHE QE . 19642 1 398 . 1 1 33 33 PHE HE2 H 1 6.640 0.000 . . . . . A 33 PHE QE . 19642 1 399 . 1 1 33 33 PHE HZ H 1 7.420 0.000 . . . . . A 33 PHE HZ . 19642 1 400 . 1 1 33 33 PHE C C 13 177.304 0.000 . . . . . A 33 PHE C . 19642 1 401 . 1 1 33 33 PHE CA C 13 61.179 0.000 . . . . . A 33 PHE CA . 19642 1 402 . 1 1 33 33 PHE CB C 13 38.580 0.000 . . . . . A 33 PHE CB . 19642 1 403 . 1 1 33 33 PHE CD1 C 13 128.164 0.000 . . . . . A 33 PHE CD1 . 19642 1 404 . 1 1 33 33 PHE CD2 C 13 128.164 0.000 . . . . . A 33 PHE CD2 . 19642 1 405 . 1 1 33 33 PHE CE1 C 13 126.125 0.000 . . . . . A 33 PHE CE1 . 19642 1 406 . 1 1 33 33 PHE CE2 C 13 126.125 0.000 . . . . . A 33 PHE CE2 . 19642 1 407 . 1 1 33 33 PHE CZ C 13 129.127 0.000 . . . . . A 33 PHE CZ . 19642 1 408 . 1 1 33 33 PHE N N 15 112.879 0.000 . . . . . A 33 PHE N . 19642 1 409 . 1 1 34 34 SER H H 1 7.997 0.000 . . . . . A 34 SER H . 19642 1 410 . 1 1 34 34 SER HA H 1 5.119 0.000 . . . . . A 34 SER HA . 19642 1 411 . 1 1 34 34 SER HB2 H 1 4.232 0.000 . . . . . A 34 SER HB2 . 19642 1 412 . 1 1 34 34 SER HB3 H 1 4.165 0.000 . . . . . A 34 SER HB3 . 19642 1 413 . 1 1 34 34 SER C C 13 175.464 0.000 . . . . . A 34 SER C . 19642 1 414 . 1 1 34 34 SER CA C 13 61.268 0.000 . . . . . A 34 SER CA . 19642 1 415 . 1 1 34 34 SER CB C 13 62.915 0.000 . . . . . A 34 SER CB . 19642 1 416 . 1 1 34 34 SER N N 15 115.870 0.000 . . . . . A 34 SER N . 19642 1 417 . 1 1 35 35 THR H H 1 7.188 0.000 . . . . . A 35 THR H . 19642 1 418 . 1 1 35 35 THR HA H 1 4.147 0.000 . . . . . A 35 THR HA . 19642 1 419 . 1 1 35 35 THR HB H 1 4.171 0.000 . . . . . A 35 THR HB . 19642 1 420 . 1 1 35 35 THR HG21 H 1 1.287 0.000 . . . . . A 35 THR QG2 . 19642 1 421 . 1 1 35 35 THR HG22 H 1 1.287 0.000 . . . . . A 35 THR QG2 . 19642 1 422 . 1 1 35 35 THR HG23 H 1 1.287 0.000 . . . . . A 35 THR QG2 . 19642 1 423 . 1 1 35 35 THR C C 13 176.410 0.000 . . . . . A 35 THR C . 19642 1 424 . 1 1 35 35 THR CA C 13 63.756 0.000 . . . . . A 35 THR CA . 19642 1 425 . 1 1 35 35 THR CB C 13 68.802 0.000 . . . . . A 35 THR CB . 19642 1 426 . 1 1 35 35 THR CG2 C 13 21.450 0.000 . . . . . A 35 THR CG2 . 19642 1 427 . 1 1 35 35 THR N N 15 110.934 0.000 . . . . . A 35 THR N . 19642 1 428 . 1 1 36 36 VAL H H 1 7.665 0.000 . . . . . A 36 VAL H . 19642 1 429 . 1 1 36 36 VAL HA H 1 4.623 0.000 . . . . . A 36 VAL HA . 19642 1 430 . 1 1 36 36 VAL HB H 1 2.461 0.000 . . . . . A 36 VAL HB . 19642 1 431 . 1 1 36 36 VAL HG11 H 1 0.788 0.000 . . . . . A 36 VAL QG1 . 19642 1 432 . 1 1 36 36 VAL HG12 H 1 0.788 0.000 . . . . . A 36 VAL QG1 . 19642 1 433 . 1 1 36 36 VAL HG13 H 1 0.788 0.000 . . . . . A 36 VAL QG1 . 19642 1 434 . 1 1 36 36 VAL HG21 H 1 0.900 0.000 . . . . . A 36 VAL QG2 . 19642 1 435 . 1 1 36 36 VAL HG22 H 1 0.900 0.000 . . . . . A 36 VAL QG2 . 19642 1 436 . 1 1 36 36 VAL HG23 H 1 0.900 0.000 . . . . . A 36 VAL QG2 . 19642 1 437 . 1 1 36 36 VAL C C 13 176.046 0.000 . . . . . A 36 VAL C . 19642 1 438 . 1 1 36 36 VAL CA C 13 60.472 0.000 . . . . . A 36 VAL CA . 19642 1 439 . 1 1 36 36 VAL CB C 13 32.425 0.000 . . . . . A 36 VAL CB . 19642 1 440 . 1 1 36 36 VAL CG1 C 13 21.913 0.000 . . . . . A 36 VAL CG1 . 19642 1 441 . 1 1 36 36 VAL CG2 C 13 19.001 0.000 . . . . . A 36 VAL CG2 . 19642 1 442 . 1 1 36 36 VAL N N 15 111.644 0.000 . . . . . A 36 VAL N . 19642 1 443 . 1 1 37 37 GLY H H 1 7.640 0.000 . . . . . A 37 GLY H . 19642 1 444 . 1 1 37 37 GLY HA2 H 1 4.029 0.000 . . . . . A 37 GLY HA2 . 19642 1 445 . 1 1 37 37 GLY HA3 H 1 4.166 0.000 . . . . . A 37 GLY HA3 . 19642 1 446 . 1 1 37 37 GLY CA C 13 45.269 0.000 . . . . . A 37 GLY CA . 19642 1 447 . 1 1 37 37 GLY N N 15 109.343 0.000 . . . . . A 37 GLY N . 19642 1 448 . 1 1 38 38 LYS H H 1 8.246 0.000 . . . . . A 38 LYS H . 19642 1 449 . 1 1 38 38 LYS HA H 1 4.539 0.000 . . . . . A 38 LYS HA . 19642 1 450 . 1 1 38 38 LYS HB2 H 1 1.830 0.000 . . . . . A 38 LYS HB2 . 19642 1 451 . 1 1 38 38 LYS HB3 H 1 1.753 0.000 . . . . . A 38 LYS HB3 . 19642 1 452 . 1 1 38 38 LYS HG2 H 1 1.464 0.000 . . . . . A 38 LYS HG2 . 19642 1 453 . 1 1 38 38 LYS HD2 H 1 1.769 0.000 . . . . . A 38 LYS HD2 . 19642 1 454 . 1 1 38 38 LYS HD3 H 1 1.675 0.000 . . . . . A 38 LYS HD3 . 19642 1 455 . 1 1 38 38 LYS CA C 13 55.724 0.000 . . . . . A 38 LYS CA . 19642 1 456 . 1 1 38 38 LYS CB C 13 32.875 0.000 . . . . . A 38 LYS CB . 19642 1 457 . 1 1 38 38 LYS CG C 13 24.892 0.000 . . . . . A 38 LYS CG . 19642 1 458 . 1 1 38 38 LYS CD C 13 28.900 0.000 . . . . . A 38 LYS CD . 19642 1 459 . 1 1 38 38 LYS N N 15 117.953 0.000 . . . . . A 38 LYS N . 19642 1 460 . 1 1 39 39 VAL H H 1 9.126 0.000 . . . . . A 39 VAL H . 19642 1 461 . 1 1 39 39 VAL HA H 1 3.685 0.000 . . . . . A 39 VAL HA . 19642 1 462 . 1 1 39 39 VAL HB H 1 1.963 0.000 . . . . . A 39 VAL HB . 19642 1 463 . 1 1 39 39 VAL HG11 H 1 0.807 0.000 . . . . . A 39 VAL QG1 . 19642 1 464 . 1 1 39 39 VAL HG12 H 1 0.807 0.000 . . . . . A 39 VAL QG1 . 19642 1 465 . 1 1 39 39 VAL HG13 H 1 0.807 0.000 . . . . . A 39 VAL QG1 . 19642 1 466 . 1 1 39 39 VAL HG21 H 1 0.583 0.000 . . . . . A 39 VAL QG2 . 19642 1 467 . 1 1 39 39 VAL HG22 H 1 0.583 0.000 . . . . . A 39 VAL QG2 . 19642 1 468 . 1 1 39 39 VAL HG23 H 1 0.583 0.000 . . . . . A 39 VAL QG2 . 19642 1 469 . 1 1 39 39 VAL CA C 13 62.816 0.000 . . . . . A 39 VAL CA . 19642 1 470 . 1 1 39 39 VAL CB C 13 32.992 0.000 . . . . . A 39 VAL CB . 19642 1 471 . 1 1 39 39 VAL CG1 C 13 22.274 0.000 . . . . . A 39 VAL CG1 . 19642 1 472 . 1 1 39 39 VAL CG2 C 13 22.292 0.000 . . . . . A 39 VAL CG2 . 19642 1 473 . 1 1 39 39 VAL N N 15 128.639 0.000 . . . . . A 39 VAL N . 19642 1 474 . 1 1 40 40 ARG H H 1 9.573 0.000 . . . . . A 40 ARG H . 19642 1 475 . 1 1 40 40 ARG HA H 1 4.279 0.000 . . . . . A 40 ARG HA . 19642 1 476 . 1 1 40 40 ARG HB2 H 1 1.438 0.000 . . . . . A 40 ARG HB2 . 19642 1 477 . 1 1 40 40 ARG HB3 H 1 1.370 0.000 . . . . . A 40 ARG HB3 . 19642 1 478 . 1 1 40 40 ARG HG2 H 1 1.501 0.000 . . . . . A 40 ARG QG . 19642 1 479 . 1 1 40 40 ARG HG3 H 1 1.501 0.000 . . . . . A 40 ARG QG . 19642 1 480 . 1 1 40 40 ARG HD2 H 1 3.145 0.000 . . . . . A 40 ARG QD . 19642 1 481 . 1 1 40 40 ARG HD3 H 1 3.145 0.000 . . . . . A 40 ARG QD . 19642 1 482 . 1 1 40 40 ARG C C 13 175.643 0.000 . . . . . A 40 ARG C . 19642 1 483 . 1 1 40 40 ARG CA C 13 56.334 0.000 . . . . . A 40 ARG CA . 19642 1 484 . 1 1 40 40 ARG CB C 13 31.660 0.000 . . . . . A 40 ARG CB . 19642 1 485 . 1 1 40 40 ARG CG C 13 26.855 0.000 . . . . . A 40 ARG CG . 19642 1 486 . 1 1 40 40 ARG CD C 13 42.812 0.000 . . . . . A 40 ARG CD . 19642 1 487 . 1 1 40 40 ARG N N 15 129.292 0.000 . . . . . A 40 ARG N . 19642 1 488 . 1 1 41 41 ASP H H 1 7.762 0.000 . . . . . A 41 ASP H . 19642 1 489 . 1 1 41 41 ASP HA H 1 4.840 0.000 . . . . . A 41 ASP HA . 19642 1 490 . 1 1 41 41 ASP HB2 H 1 2.321 0.000 . . . . . A 41 ASP HB2 . 19642 1 491 . 1 1 41 41 ASP HB3 H 1 2.448 0.000 . . . . . A 41 ASP HB3 . 19642 1 492 . 1 1 41 41 ASP C C 13 173.674 0.000 . . . . . A 41 ASP C . 19642 1 493 . 1 1 41 41 ASP CA C 13 53.705 0.000 . . . . . A 41 ASP CA . 19642 1 494 . 1 1 41 41 ASP CB C 13 44.903 0.000 . . . . . A 41 ASP CB . 19642 1 495 . 1 1 41 41 ASP N N 15 116.255 0.000 . . . . . A 41 ASP N . 19642 1 496 . 1 1 42 42 VAL H H 1 7.939 0.000 . . . . . A 42 VAL H . 19642 1 497 . 1 1 42 42 VAL HA H 1 4.635 0.000 . . . . . A 42 VAL HA . 19642 1 498 . 1 1 42 42 VAL HB H 1 1.986 0.000 . . . . . A 42 VAL HB . 19642 1 499 . 1 1 42 42 VAL HG11 H 1 0.891 0.000 . . . . . A 42 VAL QQG . 19642 1 500 . 1 1 42 42 VAL HG12 H 1 0.891 0.000 . . . . . A 42 VAL QQG . 19642 1 501 . 1 1 42 42 VAL HG13 H 1 0.891 0.000 . . . . . A 42 VAL QQG . 19642 1 502 . 1 1 42 42 VAL HG21 H 1 0.891 0.000 . . . . . A 42 VAL QQG . 19642 1 503 . 1 1 42 42 VAL HG22 H 1 0.891 0.000 . . . . . A 42 VAL QQG . 19642 1 504 . 1 1 42 42 VAL HG23 H 1 0.891 0.000 . . . . . A 42 VAL QQG . 19642 1 505 . 1 1 42 42 VAL C C 13 174.714 0.000 . . . . . A 42 VAL C . 19642 1 506 . 1 1 42 42 VAL CA C 13 61.274 0.000 . . . . . A 42 VAL CA . 19642 1 507 . 1 1 42 42 VAL CB C 13 34.832 0.000 . . . . . A 42 VAL CB . 19642 1 508 . 1 1 42 42 VAL CG1 C 13 21.499 0.000 . . . . . A 42 VAL CG1 . 19642 1 509 . 1 1 42 42 VAL N N 15 122.442 0.000 . . . . . A 42 VAL N . 19642 1 510 . 1 1 43 43 ARG H H 1 9.171 0.000 . . . . . A 43 ARG H . 19642 1 511 . 1 1 43 43 ARG HA H 1 4.765 0.000 . . . . . A 43 ARG HA . 19642 1 512 . 1 1 43 43 ARG HB2 H 1 1.806 0.000 . . . . . A 43 ARG HB2 . 19642 1 513 . 1 1 43 43 ARG HG2 H 1 1.496 0.000 . . . . . A 43 ARG QG . 19642 1 514 . 1 1 43 43 ARG HG3 H 1 1.496 0.000 . . . . . A 43 ARG QG . 19642 1 515 . 1 1 43 43 ARG C C 13 175.278 0.000 . . . . . A 43 ARG C . 19642 1 516 . 1 1 43 43 ARG CA C 13 54.378 0.000 . . . . . A 43 ARG CA . 19642 1 517 . 1 1 43 43 ARG CB C 13 32.434 0.000 . . . . . A 43 ARG CB . 19642 1 518 . 1 1 43 43 ARG CG C 13 27.530 0.000 . . . . . A 43 ARG CG . 19642 1 519 . 1 1 43 43 ARG N N 15 126.687 0.000 . . . . . A 43 ARG N . 19642 1 520 . 1 1 44 44 MET H H 1 8.939 0.000 . . . . . A 44 MET H . 19642 1 521 . 1 1 44 44 MET HA H 1 4.906 0.000 . . . . . A 44 MET HA . 19642 1 522 . 1 1 44 44 MET HB2 H 1 1.889 0.000 . . . . . A 44 MET HB2 . 19642 1 523 . 1 1 44 44 MET HB3 H 1 2.187 0.000 . . . . . A 44 MET HB3 . 19642 1 524 . 1 1 44 44 MET HG2 H 1 2.437 0.000 . . . . . A 44 MET HG2 . 19642 1 525 . 1 1 44 44 MET HG3 H 1 2.542 0.000 . . . . . A 44 MET HG3 . 19642 1 526 . 1 1 44 44 MET HE1 H 1 1.843 0.000 . . . . . A 44 MET QE . 19642 1 527 . 1 1 44 44 MET HE2 H 1 1.843 0.000 . . . . . A 44 MET QE . 19642 1 528 . 1 1 44 44 MET HE3 H 1 1.843 0.000 . . . . . A 44 MET QE . 19642 1 529 . 1 1 44 44 MET C C 13 176.360 0.000 . . . . . A 44 MET C . 19642 1 530 . 1 1 44 44 MET CA C 13 53.152 0.000 . . . . . A 44 MET CA . 19642 1 531 . 1 1 44 44 MET CB C 13 32.940 0.000 . . . . . A 44 MET CB . 19642 1 532 . 1 1 44 44 MET CG C 13 32.009 0.000 . . . . . A 44 MET CG . 19642 1 533 . 1 1 44 44 MET CE C 13 16.796 0.000 . . . . . A 44 MET CE . 19642 1 534 . 1 1 44 44 MET N N 15 123.092 0.000 . . . . . A 44 MET N . 19642 1 535 . 1 1 45 45 ILE H H 1 8.319 0.000 . . . . . A 45 ILE H . 19642 1 536 . 1 1 45 45 ILE HA H 1 4.460 0.000 . . . . . A 45 ILE HA . 19642 1 537 . 1 1 45 45 ILE HB H 1 1.958 0.000 . . . . . A 45 ILE HB . 19642 1 538 . 1 1 45 45 ILE HG12 H 1 1.497 0.000 . . . . . A 45 ILE HG12 . 19642 1 539 . 1 1 45 45 ILE HG13 H 1 1.352 0.000 . . . . . A 45 ILE HG13 . 19642 1 540 . 1 1 45 45 ILE HG21 H 1 0.988 0.000 . . . . . A 45 ILE QG2 . 19642 1 541 . 1 1 45 45 ILE HG22 H 1 0.988 0.000 . . . . . A 45 ILE QG2 . 19642 1 542 . 1 1 45 45 ILE HG23 H 1 0.988 0.000 . . . . . A 45 ILE QG2 . 19642 1 543 . 1 1 45 45 ILE HD11 H 1 0.895 0.000 . . . . . A 45 ILE QD1 . 19642 1 544 . 1 1 45 45 ILE HD12 H 1 0.895 0.000 . . . . . A 45 ILE QD1 . 19642 1 545 . 1 1 45 45 ILE HD13 H 1 0.895 0.000 . . . . . A 45 ILE QD1 . 19642 1 546 . 1 1 45 45 ILE C C 13 175.961 0.000 . . . . . A 45 ILE C . 19642 1 547 . 1 1 45 45 ILE CA C 13 59.947 0.000 . . . . . A 45 ILE CA . 19642 1 548 . 1 1 45 45 ILE CB C 13 38.193 0.000 . . . . . A 45 ILE CB . 19642 1 549 . 1 1 45 45 ILE CG1 C 13 27.148 0.000 . . . . . A 45 ILE CG1 . 19642 1 550 . 1 1 45 45 ILE CG2 C 13 17.670 0.000 . . . . . A 45 ILE CG2 . 19642 1 551 . 1 1 45 45 ILE CD1 C 13 11.865 0.000 . . . . . A 45 ILE CD1 . 19642 1 552 . 1 1 45 45 ILE N N 15 124.146 0.000 . . . . . A 45 ILE N . 19642 1 553 . 1 1 46 46 SER H H 1 8.653 0.000 . . . . . A 46 SER H . 19642 1 554 . 1 1 46 46 SER HA H 1 4.709 0.000 . . . . . A 46 SER HA . 19642 1 555 . 1 1 46 46 SER HB2 H 1 3.804 0.000 . . . . . A 46 SER QB . 19642 1 556 . 1 1 46 46 SER HB3 H 1 3.804 0.000 . . . . . A 46 SER QB . 19642 1 557 . 1 1 46 46 SER C C 13 174.061 0.000 . . . . . A 46 SER C . 19642 1 558 . 1 1 46 46 SER CA C 13 57.381 0.000 . . . . . A 46 SER CA . 19642 1 559 . 1 1 46 46 SER CB C 13 64.273 0.000 . . . . . A 46 SER CB . 19642 1 560 . 1 1 46 46 SER N N 15 121.541 0.000 . . . . . A 46 SER N . 19642 1 561 . 1 1 47 47 ASP H H 1 8.598 0.000 . . . . . A 47 ASP H . 19642 1 562 . 1 1 47 47 ASP HA H 1 4.658 0.000 . . . . . A 47 ASP HA . 19642 1 563 . 1 1 47 47 ASP HB2 H 1 2.809 0.000 . . . . . A 47 ASP HB2 . 19642 1 564 . 1 1 47 47 ASP HB3 H 1 2.664 0.000 . . . . . A 47 ASP HB3 . 19642 1 565 . 1 1 47 47 ASP C C 13 177.203 0.000 . . . . . A 47 ASP C . 19642 1 566 . 1 1 47 47 ASP CA C 13 53.662 0.000 . . . . . A 47 ASP CA . 19642 1 567 . 1 1 47 47 ASP CB C 13 41.920 0.000 . . . . . A 47 ASP CB . 19642 1 568 . 1 1 47 47 ASP N N 15 123.132 0.000 . . . . . A 47 ASP N . 19642 1 569 . 1 1 48 48 ARG H H 1 8.648 0.000 . . . . . A 48 ARG H . 19642 1 570 . 1 1 48 48 ARG HA H 1 4.207 0.000 . . . . . A 48 ARG HA . 19642 1 571 . 1 1 48 48 ARG HB2 H 1 1.891 0.000 . . . . . A 48 ARG QB . 19642 1 572 . 1 1 48 48 ARG HB3 H 1 1.891 0.000 . . . . . A 48 ARG QB . 19642 1 573 . 1 1 48 48 ARG HG2 H 1 1.668 0.000 . . . . . A 48 ARG QG . 19642 1 574 . 1 1 48 48 ARG HG3 H 1 1.668 0.000 . . . . . A 48 ARG QG . 19642 1 575 . 1 1 48 48 ARG HD2 H 1 3.194 0.000 . . . . . A 48 ARG QD . 19642 1 576 . 1 1 48 48 ARG HD3 H 1 3.194 0.000 . . . . . A 48 ARG QD . 19642 1 577 . 1 1 48 48 ARG C C 13 177.090 0.000 . . . . . A 48 ARG C . 19642 1 578 . 1 1 48 48 ARG CA C 13 57.206 0.000 . . . . . A 48 ARG CA . 19642 1 579 . 1 1 48 48 ARG CB C 13 29.775 0.000 . . . . . A 48 ARG CB . 19642 1 580 . 1 1 48 48 ARG CG C 13 26.844 0.000 . . . . . A 48 ARG CG . 19642 1 581 . 1 1 48 48 ARG N N 15 122.881 0.000 . . . . . A 48 ARG N . 19642 1 582 . 1 1 49 49 ASN H H 1 8.502 0.000 . . . . . A 49 ASN H . 19642 1 583 . 1 1 49 49 ASN HA H 1 4.746 0.000 . . . . . A 49 ASN HA . 19642 1 584 . 1 1 49 49 ASN HB2 H 1 2.921 0.000 . . . . . A 49 ASN HB2 . 19642 1 585 . 1 1 49 49 ASN HB3 H 1 2.841 0.000 . . . . . A 49 ASN HB3 . 19642 1 586 . 1 1 49 49 ASN HD21 H 1 7.805 0.000 . . . . . A 49 ASN HD21 . 19642 1 587 . 1 1 49 49 ASN HD22 H 1 6.982 0.000 . . . . . A 49 ASN HD22 . 19642 1 588 . 1 1 49 49 ASN C C 13 175.822 0.000 . . . . . A 49 ASN C . 19642 1 589 . 1 1 49 49 ASN CA C 13 53.592 0.000 . . . . . A 49 ASN CA . 19642 1 590 . 1 1 49 49 ASN CB C 13 38.910 0.000 . . . . . A 49 ASN CB . 19642 1 591 . 1 1 49 49 ASN N N 15 117.245 0.000 . . . . . A 49 ASN N . 19642 1 592 . 1 1 49 49 ASN ND2 N 15 113.676 0.000 . . . . . A 49 ASN ND2 . 19642 1 593 . 1 1 50 50 SER H H 1 8.158 0.000 . . . . . A 50 SER H . 19642 1 594 . 1 1 50 50 SER HA H 1 4.429 0.000 . . . . . A 50 SER HA . 19642 1 595 . 1 1 50 50 SER HB2 H 1 3.970 0.000 . . . . . A 50 SER QB . 19642 1 596 . 1 1 50 50 SER HB3 H 1 3.970 0.000 . . . . . A 50 SER QB . 19642 1 597 . 1 1 50 50 SER C C 13 175.339 0.000 . . . . . A 50 SER C . 19642 1 598 . 1 1 50 50 SER CA C 13 58.396 0.000 . . . . . A 50 SER CA . 19642 1 599 . 1 1 50 50 SER CB C 13 63.681 0.000 . . . . . A 50 SER CB . 19642 1 600 . 1 1 50 50 SER N N 15 114.891 0.000 . . . . . A 50 SER N . 19642 1 601 . 1 1 51 51 ARG H H 1 8.451 0.000 . . . . . A 51 ARG H . 19642 1 602 . 1 1 51 51 ARG HA H 1 4.289 0.000 . . . . . A 51 ARG HA . 19642 1 603 . 1 1 51 51 ARG HD2 H 1 3.195 0.000 . . . . . A 51 ARG QD . 19642 1 604 . 1 1 51 51 ARG HD3 H 1 3.195 0.000 . . . . . A 51 ARG QD . 19642 1 605 . 1 1 51 51 ARG C C 13 176.845 0.000 . . . . . A 51 ARG C . 19642 1 606 . 1 1 51 51 ARG CA C 13 56.672 0.000 . . . . . A 51 ARG CA . 19642 1 607 . 1 1 51 51 ARG CB C 13 29.620 0.000 . . . . . A 51 ARG CB . 19642 1 608 . 1 1 51 51 ARG CG C 13 28.632 0.000 . . . . . A 51 ARG CG . 19642 1 609 . 1 1 51 51 ARG N N 15 120.957 0.000 . . . . . A 51 ARG N . 19642 1 610 . 1 1 52 52 ARG H H 1 8.159 0.000 . . . . . A 52 ARG H . 19642 1 611 . 1 1 52 52 ARG HA H 1 4.420 0.000 . . . . . A 52 ARG HA . 19642 1 612 . 1 1 52 52 ARG HB2 H 1 1.923 0.000 . . . . . A 52 ARG HB2 . 19642 1 613 . 1 1 52 52 ARG HB3 H 1 1.785 0.000 . . . . . A 52 ARG HB3 . 19642 1 614 . 1 1 52 52 ARG HG2 H 1 1.680 0.000 . . . . . A 52 ARG QG . 19642 1 615 . 1 1 52 52 ARG HG3 H 1 1.680 0.000 . . . . . A 52 ARG QG . 19642 1 616 . 1 1 52 52 ARG HD2 H 1 3.230 0.000 . . . . . A 52 ARG QD . 19642 1 617 . 1 1 52 52 ARG HD3 H 1 3.230 0.000 . . . . . A 52 ARG QD . 19642 1 618 . 1 1 52 52 ARG CA C 13 55.765 0.000 . . . . . A 52 ARG CA . 19642 1 619 . 1 1 52 52 ARG CB C 13 30.875 0.000 . . . . . A 52 ARG CB . 19642 1 620 . 1 1 52 52 ARG CG C 13 27.114 0.000 . . . . . A 52 ARG CG . 19642 1 621 . 1 1 52 52 ARG CD C 13 43.289 0.000 . . . . . A 52 ARG CD . 19642 1 622 . 1 1 52 52 ARG N N 15 119.405 0.000 . . . . . A 52 ARG N . 19642 1 623 . 1 1 53 53 SER H H 1 8.370 0.000 . . . . . A 53 SER H . 19642 1 624 . 1 1 53 53 SER HA H 1 4.492 0.000 . . . . . A 53 SER HA . 19642 1 625 . 1 1 53 53 SER HB2 H 1 3.965 0.000 . . . . . A 53 SER HB2 . 19642 1 626 . 1 1 53 53 SER HB3 H 1 3.884 0.000 . . . . . A 53 SER HB3 . 19642 1 627 . 1 1 53 53 SER CA C 13 58.142 0.000 . . . . . A 53 SER CA . 19642 1 628 . 1 1 53 53 SER CB C 13 63.447 0.000 . . . . . A 53 SER CB . 19642 1 629 . 1 1 53 53 SER N N 15 116.328 0.000 . . . . . A 53 SER N . 19642 1 630 . 1 1 54 54 LYS H H 1 8.374 0.000 . . . . . A 54 LYS H . 19642 1 631 . 1 1 54 54 LYS HA H 1 4.499 0.000 . . . . . A 54 LYS HA . 19642 1 632 . 1 1 54 54 LYS HB2 H 1 1.739 0.000 . . . . . A 54 LYS QB . 19642 1 633 . 1 1 54 54 LYS HB3 H 1 1.739 0.000 . . . . . A 54 LYS QB . 19642 1 634 . 1 1 54 54 LYS HG3 H 1 1.433 0.000 . . . . . A 54 LYS HG3 . 19642 1 635 . 1 1 54 54 LYS HE2 H 1 3.030 0.000 . . . . . A 54 LYS QE . 19642 1 636 . 1 1 54 54 LYS HE3 H 1 3.030 0.000 . . . . . A 54 LYS QE . 19642 1 637 . 1 1 54 54 LYS CA C 13 55.563 0.000 . . . . . A 54 LYS CA . 19642 1 638 . 1 1 54 54 LYS CB C 13 33.079 0.000 . . . . . A 54 LYS CB . 19642 1 639 . 1 1 54 54 LYS CG C 13 25.015 0.000 . . . . . A 54 LYS CG . 19642 1 640 . 1 1 54 54 LYS CE C 13 42.116 0.000 . . . . . A 54 LYS CE . 19642 1 641 . 1 1 54 54 LYS N N 15 122.099 0.000 . . . . . A 54 LYS N . 19642 1 642 . 1 1 55 55 GLY H H 1 8.592 0.000 . . . . . A 55 GLY H . 19642 1 643 . 1 1 55 55 GLY HA2 H 1 4.031 0.000 . . . . . A 55 GLY HA2 . 19642 1 644 . 1 1 55 55 GLY HA3 H 1 3.919 0.000 . . . . . A 55 GLY HA3 . 19642 1 645 . 1 1 55 55 GLY C C 13 172.962 0.000 . . . . . A 55 GLY C . 19642 1 646 . 1 1 55 55 GLY CA C 13 45.894 0.000 . . . . . A 55 GLY CA . 19642 1 647 . 1 1 55 55 GLY N N 15 109.513 0.000 . . . . . A 55 GLY N . 19642 1 648 . 1 1 56 56 ILE H H 1 7.618 0.000 . . . . . A 56 ILE H . 19642 1 649 . 1 1 56 56 ILE HA H 1 5.012 0.000 . . . . . A 56 ILE HA . 19642 1 650 . 1 1 56 56 ILE HB H 1 1.763 0.000 . . . . . A 56 ILE HB . 19642 1 651 . 1 1 56 56 ILE HG12 H 1 1.461 0.000 . . . . . A 56 ILE HG12 . 19642 1 652 . 1 1 56 56 ILE HG13 H 1 1.077 0.000 . . . . . A 56 ILE HG13 . 19642 1 653 . 1 1 56 56 ILE HG21 H 1 0.878 0.000 . . . . . A 56 ILE QG2 . 19642 1 654 . 1 1 56 56 ILE HG22 H 1 0.878 0.000 . . . . . A 56 ILE QG2 . 19642 1 655 . 1 1 56 56 ILE HG23 H 1 0.878 0.000 . . . . . A 56 ILE QG2 . 19642 1 656 . 1 1 56 56 ILE HD11 H 1 0.946 0.000 . . . . . A 56 ILE QD1 . 19642 1 657 . 1 1 56 56 ILE HD12 H 1 0.946 0.000 . . . . . A 56 ILE QD1 . 19642 1 658 . 1 1 56 56 ILE HD13 H 1 0.946 0.000 . . . . . A 56 ILE QD1 . 19642 1 659 . 1 1 56 56 ILE C C 13 175.172 0.000 . . . . . A 56 ILE C . 19642 1 660 . 1 1 56 56 ILE CA C 13 58.731 0.000 . . . . . A 56 ILE CA . 19642 1 661 . 1 1 56 56 ILE CB C 13 42.162 0.000 . . . . . A 56 ILE CB . 19642 1 662 . 1 1 56 56 ILE CG1 C 13 26.477 0.000 . . . . . A 56 ILE CG1 . 19642 1 663 . 1 1 56 56 ILE CG2 C 13 18.686 0.000 . . . . . A 56 ILE CG2 . 19642 1 664 . 1 1 56 56 ILE CD1 C 13 13.809 0.000 . . . . . A 56 ILE CD1 . 19642 1 665 . 1 1 56 56 ILE N N 15 114.180 0.000 . . . . . A 56 ILE N . 19642 1 666 . 1 1 57 57 ALA H H 1 8.308 0.000 . . . . . A 57 ALA H . 19642 1 667 . 1 1 57 57 ALA HA H 1 5.120 0.000 . . . . . A 57 ALA HA . 19642 1 668 . 1 1 57 57 ALA HB1 H 1 1.091 0.000 . . . . . A 57 ALA QB . 19642 1 669 . 1 1 57 57 ALA HB2 H 1 1.091 0.000 . . . . . A 57 ALA QB . 19642 1 670 . 1 1 57 57 ALA HB3 H 1 1.091 0.000 . . . . . A 57 ALA QB . 19642 1 671 . 1 1 57 57 ALA C C 13 175.094 0.000 . . . . . A 57 ALA C . 19642 1 672 . 1 1 57 57 ALA CA C 13 50.699 0.000 . . . . . A 57 ALA CA . 19642 1 673 . 1 1 57 57 ALA CB C 13 24.170 0.000 . . . . . A 57 ALA CB . 19642 1 674 . 1 1 57 57 ALA N N 15 121.556 0.000 . . . . . A 57 ALA N . 19642 1 675 . 1 1 58 58 TYR H H 1 8.971 0.000 . . . . . A 58 TYR H . 19642 1 676 . 1 1 58 58 TYR HA H 1 5.481 0.000 . . . . . A 58 TYR HA . 19642 1 677 . 1 1 58 58 TYR HB2 H 1 2.754 0.000 . . . . . A 58 TYR QB . 19642 1 678 . 1 1 58 58 TYR HB3 H 1 2.754 0.000 . . . . . A 58 TYR QB . 19642 1 679 . 1 1 58 58 TYR HD1 H 1 7.010 0.000 . . . . . A 58 TYR QD . 19642 1 680 . 1 1 58 58 TYR HD2 H 1 7.010 0.000 . . . . . A 58 TYR QD . 19642 1 681 . 1 1 58 58 TYR HE1 H 1 6.736 0.000 . . . . . A 58 TYR QE . 19642 1 682 . 1 1 58 58 TYR HE2 H 1 6.736 0.000 . . . . . A 58 TYR QE . 19642 1 683 . 1 1 58 58 TYR C C 13 175.537 0.000 . . . . . A 58 TYR C . 19642 1 684 . 1 1 58 58 TYR CA C 13 56.514 0.000 . . . . . A 58 TYR CA . 19642 1 685 . 1 1 58 58 TYR CB C 13 40.607 0.000 . . . . . A 58 TYR CB . 19642 1 686 . 1 1 58 58 TYR CD1 C 13 130.109 0.000 . . . . . A 58 TYR CD1 . 19642 1 687 . 1 1 58 58 TYR CD2 C 13 130.109 0.000 . . . . . A 58 TYR CD2 . 19642 1 688 . 1 1 58 58 TYR CE1 C 13 115.371 0.000 . . . . . A 58 TYR CE1 . 19642 1 689 . 1 1 58 58 TYR CE2 C 13 115.371 0.000 . . . . . A 58 TYR CE2 . 19642 1 690 . 1 1 58 58 TYR N N 15 118.387 0.000 . . . . . A 58 TYR N . 19642 1 691 . 1 1 59 59 VAL H H 1 8.828 0.000 . . . . . A 59 VAL H . 19642 1 692 . 1 1 59 59 VAL HA H 1 4.376 0.000 . . . . . A 59 VAL HA . 19642 1 693 . 1 1 59 59 VAL HB H 1 1.299 0.000 . . . . . A 59 VAL HB . 19642 1 694 . 1 1 59 59 VAL HG11 H 1 -0.022 0.000 . . . . . A 59 VAL QG1 . 19642 1 695 . 1 1 59 59 VAL HG12 H 1 -0.022 0.000 . . . . . A 59 VAL QG1 . 19642 1 696 . 1 1 59 59 VAL HG13 H 1 -0.022 0.000 . . . . . A 59 VAL QG1 . 19642 1 697 . 1 1 59 59 VAL HG21 H 1 0.733 0.000 . . . . . A 59 VAL QG2 . 19642 1 698 . 1 1 59 59 VAL HG22 H 1 0.733 0.000 . . . . . A 59 VAL QG2 . 19642 1 699 . 1 1 59 59 VAL HG23 H 1 0.733 0.000 . . . . . A 59 VAL QG2 . 19642 1 700 . 1 1 59 59 VAL C C 13 172.631 0.000 . . . . . A 59 VAL C . 19642 1 701 . 1 1 59 59 VAL CA C 13 61.217 0.000 . . . . . A 59 VAL CA . 19642 1 702 . 1 1 59 59 VAL CB C 13 33.575 0.000 . . . . . A 59 VAL CB . 19642 1 703 . 1 1 59 59 VAL CG1 C 13 20.345 0.000 . . . . . A 59 VAL CG1 . 19642 1 704 . 1 1 59 59 VAL CG2 C 13 21.425 0.000 . . . . . A 59 VAL CG2 . 19642 1 705 . 1 1 59 59 VAL N N 15 122.978 0.000 . . . . . A 59 VAL N . 19642 1 706 . 1 1 60 60 GLU H H 1 8.774 0.000 . . . . . A 60 GLU H . 19642 1 707 . 1 1 60 60 GLU HA H 1 4.851 0.000 . . . . . A 60 GLU HA . 19642 1 708 . 1 1 60 60 GLU HB2 H 1 1.766 0.000 . . . . . A 60 GLU HB2 . 19642 1 709 . 1 1 60 60 GLU HB3 H 1 1.868 0.000 . . . . . A 60 GLU HB3 . 19642 1 710 . 1 1 60 60 GLU HG3 H 1 1.929 0.000 . . . . . A 60 GLU HG3 . 19642 1 711 . 1 1 60 60 GLU C C 13 176.210 0.000 . . . . . A 60 GLU C . 19642 1 712 . 1 1 60 60 GLU CA C 13 53.842 0.000 . . . . . A 60 GLU CA . 19642 1 713 . 1 1 60 60 GLU CB C 13 33.103 0.000 . . . . . A 60 GLU CB . 19642 1 714 . 1 1 60 60 GLU N N 15 128.557 0.000 . . . . . A 60 GLU N . 19642 1 715 . 1 1 61 61 PHE H H 1 9.340 0.000 . . . . . A 61 PHE H . 19642 1 716 . 1 1 61 61 PHE HA H 1 4.916 0.000 . . . . . A 61 PHE HA . 19642 1 717 . 1 1 61 61 PHE HB2 H 1 2.900 0.000 . . . . . A 61 PHE HB2 . 19642 1 718 . 1 1 61 61 PHE HB3 H 1 3.590 0.000 . . . . . A 61 PHE HB3 . 19642 1 719 . 1 1 61 61 PHE HD1 H 1 7.132 0.000 . . . . . A 61 PHE QD . 19642 1 720 . 1 1 61 61 PHE HD2 H 1 7.132 0.000 . . . . . A 61 PHE QD . 19642 1 721 . 1 1 61 61 PHE HE1 H 1 7.480 0.000 . . . . . A 61 PHE QE . 19642 1 722 . 1 1 61 61 PHE HE2 H 1 7.480 0.000 . . . . . A 61 PHE QE . 19642 1 723 . 1 1 61 61 PHE C C 13 176.011 0.000 . . . . . A 61 PHE C . 19642 1 724 . 1 1 61 61 PHE CA C 13 58.586 0.000 . . . . . A 61 PHE CA . 19642 1 725 . 1 1 61 61 PHE CB C 13 41.038 0.000 . . . . . A 61 PHE CB . 19642 1 726 . 1 1 61 61 PHE CD2 C 13 128.761 0.000 . . . . . A 61 PHE CD2 . 19642 1 727 . 1 1 61 61 PHE N N 15 126.659 0.000 . . . . . A 61 PHE N . 19642 1 728 . 1 1 62 62 VAL H H 1 8.184 0.000 . . . . . A 62 VAL H . 19642 1 729 . 1 1 62 62 VAL HA H 1 3.743 0.000 . . . . . A 62 VAL HA . 19642 1 730 . 1 1 62 62 VAL HB H 1 1.973 0.000 . . . . . A 62 VAL HB . 19642 1 731 . 1 1 62 62 VAL HG11 H 1 0.920 0.000 . . . . . A 62 VAL QG1 . 19642 1 732 . 1 1 62 62 VAL HG12 H 1 0.920 0.000 . . . . . A 62 VAL QG1 . 19642 1 733 . 1 1 62 62 VAL HG13 H 1 0.920 0.000 . . . . . A 62 VAL QG1 . 19642 1 734 . 1 1 62 62 VAL HG21 H 1 1.002 0.000 . . . . . A 62 VAL QG2 . 19642 1 735 . 1 1 62 62 VAL HG22 H 1 1.002 0.000 . . . . . A 62 VAL QG2 . 19642 1 736 . 1 1 62 62 VAL HG23 H 1 1.002 0.000 . . . . . A 62 VAL QG2 . 19642 1 737 . 1 1 62 62 VAL C C 13 176.097 0.000 . . . . . A 62 VAL C . 19642 1 738 . 1 1 62 62 VAL CA C 13 65.785 0.000 . . . . . A 62 VAL CA . 19642 1 739 . 1 1 62 62 VAL CB C 13 32.811 0.000 . . . . . A 62 VAL CB . 19642 1 740 . 1 1 62 62 VAL CG1 C 13 23.231 0.000 . . . . . A 62 VAL CG1 . 19642 1 741 . 1 1 62 62 VAL CG2 C 13 21.067 0.000 . . . . . A 62 VAL CG2 . 19642 1 742 . 1 1 62 62 VAL N N 15 118.280 0.000 . . . . . A 62 VAL N . 19642 1 743 . 1 1 63 63 ASP H H 1 8.708 0.000 . . . . . A 63 ASP H . 19642 1 744 . 1 1 63 63 ASP HA H 1 5.192 0.000 . . . . . A 63 ASP HA . 19642 1 745 . 1 1 63 63 ASP HB2 H 1 2.879 0.000 . . . . . A 63 ASP HB2 . 19642 1 746 . 1 1 63 63 ASP HB3 H 1 2.538 0.000 . . . . . A 63 ASP HB3 . 19642 1 747 . 1 1 63 63 ASP C C 13 176.648 0.000 . . . . . A 63 ASP C . 19642 1 748 . 1 1 63 63 ASP CA C 13 52.639 0.000 . . . . . A 63 ASP CA . 19642 1 749 . 1 1 63 63 ASP CB C 13 44.569 0.000 . . . . . A 63 ASP CB . 19642 1 750 . 1 1 63 63 ASP N N 15 118.269 0.000 . . . . . A 63 ASP N . 19642 1 751 . 1 1 64 64 VAL H H 1 8.609 0.000 . . . . . A 64 VAL H . 19642 1 752 . 1 1 64 64 VAL HA H 1 3.811 0.000 . . . . . A 64 VAL HA . 19642 1 753 . 1 1 64 64 VAL HB H 1 2.087 0.000 . . . . . A 64 VAL HB . 19642 1 754 . 1 1 64 64 VAL HG11 H 1 1.070 0.000 . . . . . A 64 VAL QG1 . 19642 1 755 . 1 1 64 64 VAL HG12 H 1 1.070 0.000 . . . . . A 64 VAL QG1 . 19642 1 756 . 1 1 64 64 VAL HG13 H 1 1.070 0.000 . . . . . A 64 VAL QG1 . 19642 1 757 . 1 1 64 64 VAL HG21 H 1 1.039 0.000 . . . . . A 64 VAL QG2 . 19642 1 758 . 1 1 64 64 VAL HG22 H 1 1.039 0.000 . . . . . A 64 VAL QG2 . 19642 1 759 . 1 1 64 64 VAL HG23 H 1 1.039 0.000 . . . . . A 64 VAL QG2 . 19642 1 760 . 1 1 64 64 VAL C C 13 178.439 0.000 . . . . . A 64 VAL C . 19642 1 761 . 1 1 64 64 VAL CA C 13 64.819 0.000 . . . . . A 64 VAL CA . 19642 1 762 . 1 1 64 64 VAL CB C 13 32.050 0.000 . . . . . A 64 VAL CB . 19642 1 763 . 1 1 64 64 VAL CG1 C 13 21.569 0.000 . . . . . A 64 VAL CG1 . 19642 1 764 . 1 1 64 64 VAL CG2 C 13 20.807 0.000 . . . . . A 64 VAL CG2 . 19642 1 765 . 1 1 64 64 VAL N N 15 121.961 0.000 . . . . . A 64 VAL N . 19642 1 766 . 1 1 65 65 SER H H 1 8.492 0.000 . . . . . A 65 SER H . 19642 1 767 . 1 1 65 65 SER HA H 1 4.143 0.000 . . . . . A 65 SER HA . 19642 1 768 . 1 1 65 65 SER HB2 H 1 3.951 0.000 . . . . . A 65 SER QB . 19642 1 769 . 1 1 65 65 SER HB3 H 1 3.951 0.000 . . . . . A 65 SER QB . 19642 1 770 . 1 1 65 65 SER C C 13 176.285 0.000 . . . . . A 65 SER C . 19642 1 771 . 1 1 65 65 SER CA C 13 60.158 0.000 . . . . . A 65 SER CA . 19642 1 772 . 1 1 65 65 SER CB C 13 62.066 0.000 . . . . . A 65 SER CB . 19642 1 773 . 1 1 65 65 SER N N 15 115.305 0.000 . . . . . A 65 SER N . 19642 1 774 . 1 1 66 66 SER H H 1 7.414 0.000 . . . . . A 66 SER H . 19642 1 775 . 1 1 66 66 SER HA H 1 4.024 0.000 . . . . . A 66 SER HA . 19642 1 776 . 1 1 66 66 SER HB2 H 1 2.435 0.000 . . . . . A 66 SER HB2 . 19642 1 777 . 1 1 66 66 SER HB3 H 1 3.079 0.000 . . . . . A 66 SER HB3 . 19642 1 778 . 1 1 66 66 SER C C 13 174.528 0.000 . . . . . A 66 SER C . 19642 1 779 . 1 1 66 66 SER CA C 13 60.749 0.000 . . . . . A 66 SER CA . 19642 1 780 . 1 1 66 66 SER CB C 13 63.063 0.000 . . . . . A 66 SER CB . 19642 1 781 . 1 1 66 66 SER N N 15 116.053 0.000 . . . . . A 66 SER N . 19642 1 782 . 1 1 67 67 VAL H H 1 7.611 0.000 . . . . . A 67 VAL H . 19642 1 783 . 1 1 67 67 VAL HA H 1 3.320 0.000 . . . . . A 67 VAL HA . 19642 1 784 . 1 1 67 67 VAL HB H 1 2.519 0.000 . . . . . A 67 VAL HB . 19642 1 785 . 1 1 67 67 VAL HG11 H 1 0.927 0.000 . . . . . A 67 VAL QG1 . 19642 1 786 . 1 1 67 67 VAL HG12 H 1 0.927 0.000 . . . . . A 67 VAL QG1 . 19642 1 787 . 1 1 67 67 VAL HG13 H 1 0.927 0.000 . . . . . A 67 VAL QG1 . 19642 1 788 . 1 1 67 67 VAL HG21 H 1 1.170 0.000 . . . . . A 67 VAL QG2 . 19642 1 789 . 1 1 67 67 VAL HG22 H 1 1.170 0.000 . . . . . A 67 VAL QG2 . 19642 1 790 . 1 1 67 67 VAL HG23 H 1 1.170 0.000 . . . . . A 67 VAL QG2 . 19642 1 791 . 1 1 67 67 VAL CA C 13 69.038 0.000 . . . . . A 67 VAL CA . 19642 1 792 . 1 1 67 67 VAL CB C 13 29.198 0.000 . . . . . A 67 VAL CB . 19642 1 793 . 1 1 67 67 VAL CG1 C 13 20.203 0.000 . . . . . A 67 VAL CG1 . 19642 1 794 . 1 1 67 67 VAL CG2 C 13 23.513 0.000 . . . . . A 67 VAL CG2 . 19642 1 795 . 1 1 67 67 VAL N N 15 119.830 0.000 . . . . . A 67 VAL N . 19642 1 796 . 1 1 68 68 PRO HA H 1 4.265 0.000 . . . . . A 68 PRO HA . 19642 1 797 . 1 1 68 68 PRO HB2 H 1 2.344 0.000 . . . . . A 68 PRO HB2 . 19642 1 798 . 1 1 68 68 PRO HB3 H 1 1.843 0.000 . . . . . A 68 PRO HB3 . 19642 1 799 . 1 1 68 68 PRO HG2 H 1 2.033 0.000 . . . . . A 68 PRO HG2 . 19642 1 800 . 1 1 68 68 PRO HD2 H 1 3.682 0.000 . . . . . A 68 PRO HD2 . 19642 1 801 . 1 1 68 68 PRO HD3 H 1 3.894 0.000 . . . . . A 68 PRO HD3 . 19642 1 802 . 1 1 68 68 PRO C C 13 180.457 0.000 . . . . . A 68 PRO C . 19642 1 803 . 1 1 68 68 PRO CA C 13 65.072 0.000 . . . . . A 68 PRO CA . 19642 1 804 . 1 1 68 68 PRO CB C 13 30.738 0.000 . . . . . A 68 PRO CB . 19642 1 805 . 1 1 68 68 PRO CG C 13 28.293 0.000 . . . . . A 68 PRO CG . 19642 1 806 . 1 1 68 68 PRO CD C 13 48.728 0.000 . . . . . A 68 PRO CD . 19642 1 807 . 1 1 69 69 LEU H H 1 6.284 0.000 . . . . . A 69 LEU H . 19642 1 808 . 1 1 69 69 LEU HA H 1 4.099 0.000 . . . . . A 69 LEU HA . 19642 1 809 . 1 1 69 69 LEU HB2 H 1 1.858 0.000 . . . . . A 69 LEU HB2 . 19642 1 810 . 1 1 69 69 LEU HB3 H 1 1.408 0.000 . . . . . A 69 LEU HB3 . 19642 1 811 . 1 1 69 69 LEU HG H 1 1.780 0.000 . . . . . A 69 LEU HG . 19642 1 812 . 1 1 69 69 LEU HD11 H 1 0.868 0.000 . . . . . A 69 LEU QD1 . 19642 1 813 . 1 1 69 69 LEU HD12 H 1 0.868 0.000 . . . . . A 69 LEU QD1 . 19642 1 814 . 1 1 69 69 LEU HD13 H 1 0.868 0.000 . . . . . A 69 LEU QD1 . 19642 1 815 . 1 1 69 69 LEU HD21 H 1 0.986 0.000 . . . . . A 69 LEU QD2 . 19642 1 816 . 1 1 69 69 LEU HD22 H 1 0.986 0.000 . . . . . A 69 LEU QD2 . 19642 1 817 . 1 1 69 69 LEU HD23 H 1 0.986 0.000 . . . . . A 69 LEU QD2 . 19642 1 818 . 1 1 69 69 LEU C C 13 179.450 0.000 . . . . . A 69 LEU C . 19642 1 819 . 1 1 69 69 LEU CA C 13 56.442 0.000 . . . . . A 69 LEU CA . 19642 1 820 . 1 1 69 69 LEU CB C 13 41.122 0.000 . . . . . A 69 LEU CB . 19642 1 821 . 1 1 69 69 LEU CG C 13 26.834 0.000 . . . . . A 69 LEU CG . 19642 1 822 . 1 1 69 69 LEU CD1 C 13 21.921 0.000 . . . . . A 69 LEU CD1 . 19642 1 823 . 1 1 69 69 LEU CD2 C 13 25.670 0.000 . . . . . A 69 LEU CD2 . 19642 1 824 . 1 1 69 69 LEU N N 15 115.334 0.000 . . . . . A 69 LEU N . 19642 1 825 . 1 1 70 70 ALA H H 1 8.342 0.000 . . . . . A 70 ALA H . 19642 1 826 . 1 1 70 70 ALA HA H 1 4.175 0.000 . . . . . A 70 ALA HA . 19642 1 827 . 1 1 70 70 ALA HB1 H 1 1.561 0.000 . . . . . A 70 ALA QB . 19642 1 828 . 1 1 70 70 ALA HB2 H 1 1.561 0.000 . . . . . A 70 ALA QB . 19642 1 829 . 1 1 70 70 ALA HB3 H 1 1.561 0.000 . . . . . A 70 ALA QB . 19642 1 830 . 1 1 70 70 ALA C C 13 180.611 0.000 . . . . . A 70 ALA C . 19642 1 831 . 1 1 70 70 ALA CA C 13 54.895 0.000 . . . . . A 70 ALA CA . 19642 1 832 . 1 1 70 70 ALA CB C 13 19.544 0.000 . . . . . A 70 ALA CB . 19642 1 833 . 1 1 70 70 ALA N N 15 122.703 0.000 . . . . . A 70 ALA N . 19642 1 834 . 1 1 71 71 ILE H H 1 8.255 0.000 . . . . . A 71 ILE H . 19642 1 835 . 1 1 71 71 ILE HA H 1 4.265 0.000 . . . . . A 71 ILE HA . 19642 1 836 . 1 1 71 71 ILE HB H 1 1.811 0.000 . . . . . A 71 ILE HB . 19642 1 837 . 1 1 71 71 ILE HG12 H 1 1.790 0.000 . . . . . A 71 ILE HG12 . 19642 1 838 . 1 1 71 71 ILE HG13 H 1 0.814 0.000 . . . . . A 71 ILE HG13 . 19642 1 839 . 1 1 71 71 ILE HG21 H 1 1.071 0.000 . . . . . A 71 ILE QG2 . 19642 1 840 . 1 1 71 71 ILE HG22 H 1 1.071 0.000 . . . . . A 71 ILE QG2 . 19642 1 841 . 1 1 71 71 ILE HG23 H 1 1.071 0.000 . . . . . A 71 ILE QG2 . 19642 1 842 . 1 1 71 71 ILE HD11 H 1 0.873 0.000 . . . . . A 71 ILE QD1 . 19642 1 843 . 1 1 71 71 ILE HD12 H 1 0.873 0.000 . . . . . A 71 ILE QD1 . 19642 1 844 . 1 1 71 71 ILE HD13 H 1 0.873 0.000 . . . . . A 71 ILE QD1 . 19642 1 845 . 1 1 71 71 ILE C C 13 179.971 0.000 . . . . . A 71 ILE C . 19642 1 846 . 1 1 71 71 ILE CA C 13 65.117 0.000 . . . . . A 71 ILE CA . 19642 1 847 . 1 1 71 71 ILE CB C 13 38.600 0.000 . . . . . A 71 ILE CB . 19642 1 848 . 1 1 71 71 ILE CG1 C 13 29.671 0.000 . . . . . A 71 ILE CG1 . 19642 1 849 . 1 1 71 71 ILE CG2 C 13 16.488 0.000 . . . . . A 71 ILE CG2 . 19642 1 850 . 1 1 71 71 ILE CD1 C 13 14.632 0.000 . . . . . A 71 ILE CD1 . 19642 1 851 . 1 1 71 71 ILE N N 15 118.692 0.000 . . . . . A 71 ILE N . 19642 1 852 . 1 1 72 72 GLY H H 1 7.635 0.000 . . . . . A 72 GLY H . 19642 1 853 . 1 1 72 72 GLY HA2 H 1 4.211 0.000 . . . . . A 72 GLY HA2 . 19642 1 854 . 1 1 72 72 GLY HA3 H 1 3.892 0.000 . . . . . A 72 GLY HA3 . 19642 1 855 . 1 1 72 72 GLY C C 13 174.590 0.000 . . . . . A 72 GLY C . 19642 1 856 . 1 1 72 72 GLY CA C 13 45.891 0.000 . . . . . A 72 GLY CA . 19642 1 857 . 1 1 72 72 GLY N N 15 106.417 0.000 . . . . . A 72 GLY N . 19642 1 858 . 1 1 73 73 LEU H H 1 7.767 0.000 . . . . . A 73 LEU H . 19642 1 859 . 1 1 73 73 LEU HA H 1 4.411 0.000 . . . . . A 73 LEU HA . 19642 1 860 . 1 1 73 73 LEU HB2 H 1 2.220 0.000 . . . . . A 73 LEU HB2 . 19642 1 861 . 1 1 73 73 LEU HB3 H 1 1.763 0.000 . . . . . A 73 LEU HB3 . 19642 1 862 . 1 1 73 73 LEU HG H 1 2.014 0.000 . . . . . A 73 LEU HG . 19642 1 863 . 1 1 73 73 LEU HD11 H 1 0.645 0.000 . . . . . A 73 LEU QD1 . 19642 1 864 . 1 1 73 73 LEU HD12 H 1 0.645 0.000 . . . . . A 73 LEU QD1 . 19642 1 865 . 1 1 73 73 LEU HD13 H 1 0.645 0.000 . . . . . A 73 LEU QD1 . 19642 1 866 . 1 1 73 73 LEU HD21 H 1 0.502 0.000 . . . . . A 73 LEU QD2 . 19642 1 867 . 1 1 73 73 LEU HD22 H 1 0.502 0.000 . . . . . A 73 LEU QD2 . 19642 1 868 . 1 1 73 73 LEU HD23 H 1 0.502 0.000 . . . . . A 73 LEU QD2 . 19642 1 869 . 1 1 73 73 LEU C C 13 176.338 0.000 . . . . . A 73 LEU C . 19642 1 870 . 1 1 73 73 LEU CA C 13 54.949 0.000 . . . . . A 73 LEU CA . 19642 1 871 . 1 1 73 73 LEU CB C 13 40.593 0.000 . . . . . A 73 LEU CB . 19642 1 872 . 1 1 73 73 LEU CG C 13 26.006 0.000 . . . . . A 73 LEU CG . 19642 1 873 . 1 1 73 73 LEU CD1 C 13 21.650 0.000 . . . . . A 73 LEU CD1 . 19642 1 874 . 1 1 73 73 LEU CD2 C 13 25.670 0.000 . . . . . A 73 LEU CD2 . 19642 1 875 . 1 1 73 73 LEU N N 15 120.383 0.000 . . . . . A 73 LEU N . 19642 1 876 . 1 1 74 74 THR H H 1 7.731 0.000 . . . . . A 74 THR H . 19642 1 877 . 1 1 74 74 THR HA H 1 4.060 0.000 . . . . . A 74 THR HA . 19642 1 878 . 1 1 74 74 THR HB H 1 4.383 0.000 . . . . . A 74 THR HB . 19642 1 879 . 1 1 74 74 THR HG21 H 1 1.533 0.000 . . . . . A 74 THR QG2 . 19642 1 880 . 1 1 74 74 THR HG22 H 1 1.533 0.000 . . . . . A 74 THR QG2 . 19642 1 881 . 1 1 74 74 THR HG23 H 1 1.533 0.000 . . . . . A 74 THR QG2 . 19642 1 882 . 1 1 74 74 THR C C 13 175.656 0.000 . . . . . A 74 THR C . 19642 1 883 . 1 1 74 74 THR CA C 13 66.177 0.000 . . . . . A 74 THR CA . 19642 1 884 . 1 1 74 74 THR CB C 13 69.821 0.000 . . . . . A 74 THR CB . 19642 1 885 . 1 1 74 74 THR CG2 C 13 21.652 0.000 . . . . . A 74 THR CG2 . 19642 1 886 . 1 1 74 74 THR N N 15 115.157 0.000 . . . . . A 74 THR N . 19642 1 887 . 1 1 75 75 GLY H H 1 9.519 0.000 . . . . . A 75 GLY H . 19642 1 888 . 1 1 75 75 GLY HA2 H 1 3.668 0.000 . . . . . A 75 GLY HA2 . 19642 1 889 . 1 1 75 75 GLY HA3 H 1 4.606 0.000 . . . . . A 75 GLY HA3 . 19642 1 890 . 1 1 75 75 GLY CA C 13 44.625 0.000 . . . . . A 75 GLY CA . 19642 1 891 . 1 1 75 75 GLY N N 15 117.587 0.000 . . . . . A 75 GLY N . 19642 1 892 . 1 1 76 76 GLN H H 1 8.319 0.000 . . . . . A 76 GLN H . 19642 1 893 . 1 1 76 76 GLN HA H 1 4.314 0.000 . . . . . A 76 GLN HA . 19642 1 894 . 1 1 76 76 GLN HB3 H 1 2.328 0.000 . . . . . A 76 GLN HB3 . 19642 1 895 . 1 1 76 76 GLN HG2 H 1 2.634 0.000 . . . . . A 76 GLN HG2 . 19642 1 896 . 1 1 76 76 GLN HG3 H 1 2.564 0.000 . . . . . A 76 GLN HG3 . 19642 1 897 . 1 1 76 76 GLN HE21 H 1 7.753 0.000 . . . . . A 76 GLN HE21 . 19642 1 898 . 1 1 76 76 GLN HE22 H 1 6.850 0.000 . . . . . A 76 GLN HE22 . 19642 1 899 . 1 1 76 76 GLN C C 13 175.015 0.000 . . . . . A 76 GLN C . 19642 1 900 . 1 1 76 76 GLN CA C 13 55.819 0.000 . . . . . A 76 GLN CA . 19642 1 901 . 1 1 76 76 GLN CB C 13 28.220 0.000 . . . . . A 76 GLN CB . 19642 1 902 . 1 1 76 76 GLN CG C 13 34.306 0.000 . . . . . A 76 GLN CG . 19642 1 903 . 1 1 76 76 GLN N N 15 120.027 0.000 . . . . . A 76 GLN N . 19642 1 904 . 1 1 76 76 GLN NE2 N 15 113.034 0.000 . . . . . A 76 GLN NE2 . 19642 1 905 . 1 1 77 77 ARG H H 1 8.544 0.000 . . . . . A 77 ARG H . 19642 1 906 . 1 1 77 77 ARG HA H 1 4.131 0.000 . . . . . A 77 ARG HA . 19642 1 907 . 1 1 77 77 ARG HB2 H 1 1.716 0.000 . . . . . A 77 ARG HB2 . 19642 1 908 . 1 1 77 77 ARG HB3 H 1 1.078 0.000 . . . . . A 77 ARG HB3 . 19642 1 909 . 1 1 77 77 ARG HG2 H 1 1.659 0.000 . . . . . A 77 ARG HG2 . 19642 1 910 . 1 1 77 77 ARG HG3 H 1 1.031 0.000 . . . . . A 77 ARG HG3 . 19642 1 911 . 1 1 77 77 ARG HD2 H 1 3.085 0.000 . . . . . A 77 ARG QD . 19642 1 912 . 1 1 77 77 ARG HD3 H 1 3.085 0.000 . . . . . A 77 ARG QD . 19642 1 913 . 1 1 77 77 ARG C C 13 176.209 0.000 . . . . . A 77 ARG C . 19642 1 914 . 1 1 77 77 ARG CA C 13 56.091 0.000 . . . . . A 77 ARG CA . 19642 1 915 . 1 1 77 77 ARG CB C 13 31.364 0.000 . . . . . A 77 ARG CB . 19642 1 916 . 1 1 77 77 ARG CG C 13 28.852 0.000 . . . . . A 77 ARG CG . 19642 1 917 . 1 1 77 77 ARG CD C 13 43.292 0.000 . . . . . A 77 ARG CD . 19642 1 918 . 1 1 77 77 ARG N N 15 118.759 0.000 . . . . . A 77 ARG N . 19642 1 919 . 1 1 78 78 VAL H H 1 8.015 0.000 . . . . . A 78 VAL H . 19642 1 920 . 1 1 78 78 VAL HA H 1 3.835 0.000 . . . . . A 78 VAL HA . 19642 1 921 . 1 1 78 78 VAL HB H 1 1.643 0.000 . . . . . A 78 VAL HB . 19642 1 922 . 1 1 78 78 VAL HG11 H 1 0.477 0.000 . . . . . A 78 VAL QG1 . 19642 1 923 . 1 1 78 78 VAL HG12 H 1 0.477 0.000 . . . . . A 78 VAL QG1 . 19642 1 924 . 1 1 78 78 VAL HG13 H 1 0.477 0.000 . . . . . A 78 VAL QG1 . 19642 1 925 . 1 1 78 78 VAL HG21 H 1 -0.315 0.000 . . . . . A 78 VAL QG2 . 19642 1 926 . 1 1 78 78 VAL HG22 H 1 -0.315 0.000 . . . . . A 78 VAL QG2 . 19642 1 927 . 1 1 78 78 VAL HG23 H 1 -0.315 0.000 . . . . . A 78 VAL QG2 . 19642 1 928 . 1 1 78 78 VAL C C 13 176.570 0.000 . . . . . A 78 VAL C . 19642 1 929 . 1 1 78 78 VAL CA C 13 61.470 0.000 . . . . . A 78 VAL CA . 19642 1 930 . 1 1 78 78 VAL CB C 13 32.202 0.000 . . . . . A 78 VAL CB . 19642 1 931 . 1 1 78 78 VAL CG1 C 13 20.688 0.000 . . . . . A 78 VAL CG1 . 19642 1 932 . 1 1 78 78 VAL CG2 C 13 19.727 0.000 . . . . . A 78 VAL CG2 . 19642 1 933 . 1 1 78 78 VAL N N 15 123.886 0.000 . . . . . A 78 VAL N . 19642 1 934 . 1 1 79 79 LEU H H 1 9.570 0.000 . . . . . A 79 LEU H . 19642 1 935 . 1 1 79 79 LEU HA H 1 3.832 0.000 . . . . . A 79 LEU HA . 19642 1 936 . 1 1 79 79 LEU HB2 H 1 1.697 0.000 . . . . . A 79 LEU HB2 . 19642 1 937 . 1 1 79 79 LEU HB3 H 1 1.612 0.000 . . . . . A 79 LEU HB3 . 19642 1 938 . 1 1 79 79 LEU HG H 1 1.488 0.000 . . . . . A 79 LEU HG . 19642 1 939 . 1 1 79 79 LEU HD11 H 1 0.797 0.000 . . . . . A 79 LEU QD1 . 19642 1 940 . 1 1 79 79 LEU HD12 H 1 0.797 0.000 . . . . . A 79 LEU QD1 . 19642 1 941 . 1 1 79 79 LEU HD13 H 1 0.797 0.000 . . . . . A 79 LEU QD1 . 19642 1 942 . 1 1 79 79 LEU HD21 H 1 0.802 0.000 . . . . . A 79 LEU QD2 . 19642 1 943 . 1 1 79 79 LEU HD22 H 1 0.802 0.000 . . . . . A 79 LEU QD2 . 19642 1 944 . 1 1 79 79 LEU HD23 H 1 0.802 0.000 . . . . . A 79 LEU QD2 . 19642 1 945 . 1 1 79 79 LEU CA C 13 55.773 0.000 . . . . . A 79 LEU CA . 19642 1 946 . 1 1 79 79 LEU CB C 13 39.541 0.000 . . . . . A 79 LEU CB . 19642 1 947 . 1 1 79 79 LEU CG C 13 27.755 0.000 . . . . . A 79 LEU CG . 19642 1 948 . 1 1 79 79 LEU CD1 C 13 23.292 0.000 . . . . . A 79 LEU CD1 . 19642 1 949 . 1 1 79 79 LEU CD2 C 13 25.702 0.000 . . . . . A 79 LEU CD2 . 19642 1 950 . 1 1 79 79 LEU N N 15 129.331 0.000 . . . . . A 79 LEU N . 19642 1 951 . 1 1 80 80 GLY H H 1 8.316 0.000 . . . . . A 80 GLY H . 19642 1 952 . 1 1 80 80 GLY HA2 H 1 3.537 0.000 . . . . . A 80 GLY HA2 . 19642 1 953 . 1 1 80 80 GLY HA3 H 1 4.224 0.000 . . . . . A 80 GLY HA3 . 19642 1 954 . 1 1 80 80 GLY CA C 13 45.229 0.000 . . . . . A 80 GLY CA . 19642 1 955 . 1 1 80 80 GLY N N 15 100.301 0.000 . . . . . A 80 GLY N . 19642 1 956 . 1 1 81 81 VAL H H 1 7.632 0.000 . . . . . A 81 VAL H . 19642 1 957 . 1 1 81 81 VAL HA H 1 4.637 0.000 . . . . . A 81 VAL HA . 19642 1 958 . 1 1 81 81 VAL HB H 1 2.123 0.000 . . . . . A 81 VAL HB . 19642 1 959 . 1 1 81 81 VAL HG11 H 1 0.896 0.000 . . . . . A 81 VAL QQG . 19642 1 960 . 1 1 81 81 VAL HG12 H 1 0.896 0.000 . . . . . A 81 VAL QQG . 19642 1 961 . 1 1 81 81 VAL HG13 H 1 0.896 0.000 . . . . . A 81 VAL QQG . 19642 1 962 . 1 1 81 81 VAL HG21 H 1 0.896 0.000 . . . . . A 81 VAL QQG . 19642 1 963 . 1 1 81 81 VAL HG22 H 1 0.896 0.000 . . . . . A 81 VAL QQG . 19642 1 964 . 1 1 81 81 VAL HG23 H 1 0.896 0.000 . . . . . A 81 VAL QQG . 19642 1 965 . 1 1 81 81 VAL CA C 13 59.355 0.000 . . . . . A 81 VAL CA . 19642 1 966 . 1 1 81 81 VAL CB C 13 34.897 0.000 . . . . . A 81 VAL CB . 19642 1 967 . 1 1 81 81 VAL CG1 C 13 21.067 0.000 . . . . . A 81 VAL CG1 . 19642 1 968 . 1 1 81 81 VAL N N 15 122.763 0.000 . . . . . A 81 VAL N . 19642 1 969 . 1 1 82 82 PRO HA H 1 4.332 0.000 . . . . . A 82 PRO HA . 19642 1 970 . 1 1 82 82 PRO HB2 H 1 1.907 0.000 . . . . . A 82 PRO HB2 . 19642 1 971 . 1 1 82 82 PRO HB3 H 1 2.073 0.000 . . . . . A 82 PRO HB3 . 19642 1 972 . 1 1 82 82 PRO HG2 H 1 1.794 0.000 . . . . . A 82 PRO HG2 . 19642 1 973 . 1 1 82 82 PRO HG3 H 1 2.201 0.000 . . . . . A 82 PRO HG3 . 19642 1 974 . 1 1 82 82 PRO HD2 H 1 3.740 0.000 . . . . . A 82 PRO HD2 . 19642 1 975 . 1 1 82 82 PRO HD3 H 1 3.859 0.000 . . . . . A 82 PRO HD3 . 19642 1 976 . 1 1 82 82 PRO C C 13 175.005 0.000 . . . . . A 82 PRO C . 19642 1 977 . 1 1 82 82 PRO CA C 13 62.503 0.000 . . . . . A 82 PRO CA . 19642 1 978 . 1 1 82 82 PRO CB C 13 31.280 0.000 . . . . . A 82 PRO CB . 19642 1 979 . 1 1 82 82 PRO CG C 13 27.740 0.000 . . . . . A 82 PRO CG . 19642 1 980 . 1 1 82 82 PRO CD C 13 51.496 0.000 . . . . . A 82 PRO CD . 19642 1 981 . 1 1 83 83 ILE H H 1 8.391 0.000 . . . . . A 83 ILE H . 19642 1 982 . 1 1 83 83 ILE HA H 1 4.626 0.000 . . . . . A 83 ILE HA . 19642 1 983 . 1 1 83 83 ILE HB H 1 1.724 0.000 . . . . . A 83 ILE HB . 19642 1 984 . 1 1 83 83 ILE HG12 H 1 1.170 0.000 . . . . . A 83 ILE HG12 . 19642 1 985 . 1 1 83 83 ILE HG13 H 1 1.603 0.000 . . . . . A 83 ILE HG13 . 19642 1 986 . 1 1 83 83 ILE HG21 H 1 0.905 0.000 . . . . . A 83 ILE QG2 . 19642 1 987 . 1 1 83 83 ILE HG22 H 1 0.905 0.000 . . . . . A 83 ILE QG2 . 19642 1 988 . 1 1 83 83 ILE HG23 H 1 0.905 0.000 . . . . . A 83 ILE QG2 . 19642 1 989 . 1 1 83 83 ILE HD11 H 1 0.624 0.000 . . . . . A 83 ILE QD1 . 19642 1 990 . 1 1 83 83 ILE HD12 H 1 0.624 0.000 . . . . . A 83 ILE QD1 . 19642 1 991 . 1 1 83 83 ILE HD13 H 1 0.624 0.000 . . . . . A 83 ILE QD1 . 19642 1 992 . 1 1 83 83 ILE C C 13 175.679 0.000 . . . . . A 83 ILE C . 19642 1 993 . 1 1 83 83 ILE CA C 13 60.969 0.000 . . . . . A 83 ILE CA . 19642 1 994 . 1 1 83 83 ILE CB C 13 40.913 0.000 . . . . . A 83 ILE CB . 19642 1 995 . 1 1 83 83 ILE CG1 C 13 29.224 0.000 . . . . . A 83 ILE CG1 . 19642 1 996 . 1 1 83 83 ILE CG2 C 13 15.629 0.000 . . . . . A 83 ILE CG2 . 19642 1 997 . 1 1 83 83 ILE CD1 C 13 14.830 0.000 . . . . . A 83 ILE CD1 . 19642 1 998 . 1 1 83 83 ILE N N 15 126.022 0.000 . . . . . A 83 ILE N . 19642 1 999 . 1 1 84 84 ILE H H 1 7.842 0.000 . . . . . A 84 ILE H . 19642 1 1000 . 1 1 84 84 ILE HA H 1 4.433 0.000 . . . . . A 84 ILE HA . 19642 1 1001 . 1 1 84 84 ILE HB H 1 1.566 0.000 . . . . . A 84 ILE HB . 19642 1 1002 . 1 1 84 84 ILE HG12 H 1 1.081 0.000 . . . . . A 84 ILE HG12 . 19642 1 1003 . 1 1 84 84 ILE HG13 H 1 1.513 0.000 . . . . . A 84 ILE HG13 . 19642 1 1004 . 1 1 84 84 ILE HG21 H 1 0.892 0.000 . . . . . A 84 ILE QG2 . 19642 1 1005 . 1 1 84 84 ILE HG22 H 1 0.892 0.000 . . . . . A 84 ILE QG2 . 19642 1 1006 . 1 1 84 84 ILE HG23 H 1 0.892 0.000 . . . . . A 84 ILE QG2 . 19642 1 1007 . 1 1 84 84 ILE HD11 H 1 0.817 0.000 . . . . . A 84 ILE QD1 . 19642 1 1008 . 1 1 84 84 ILE HD12 H 1 0.817 0.000 . . . . . A 84 ILE QD1 . 19642 1 1009 . 1 1 84 84 ILE HD13 H 1 0.817 0.000 . . . . . A 84 ILE QD1 . 19642 1 1010 . 1 1 84 84 ILE C C 13 174.418 0.000 . . . . . A 84 ILE C . 19642 1 1011 . 1 1 84 84 ILE CA C 13 61.313 0.000 . . . . . A 84 ILE CA . 19642 1 1012 . 1 1 84 84 ILE CB C 13 39.900 0.000 . . . . . A 84 ILE CB . 19642 1 1013 . 1 1 84 84 ILE CG1 C 13 27.210 0.000 . . . . . A 84 ILE CG1 . 19642 1 1014 . 1 1 84 84 ILE CG2 C 13 17.097 0.000 . . . . . A 84 ILE CG2 . 19642 1 1015 . 1 1 84 84 ILE CD1 C 13 13.119 0.000 . . . . . A 84 ILE CD1 . 19642 1 1016 . 1 1 84 84 ILE N N 15 125.284 0.000 . . . . . A 84 ILE N . 19642 1 1017 . 1 1 85 85 VAL H H 1 8.400 0.000 . . . . . A 85 VAL H . 19642 1 1018 . 1 1 85 85 VAL HA H 1 3.617 0.000 . . . . . A 85 VAL HA . 19642 1 1019 . 1 1 85 85 VAL HB H 1 2.262 0.000 . . . . . A 85 VAL HB . 19642 1 1020 . 1 1 85 85 VAL HG11 H 1 0.919 0.000 . . . . . A 85 VAL QG1 . 19642 1 1021 . 1 1 85 85 VAL HG12 H 1 0.919 0.000 . . . . . A 85 VAL QG1 . 19642 1 1022 . 1 1 85 85 VAL HG13 H 1 0.919 0.000 . . . . . A 85 VAL QG1 . 19642 1 1023 . 1 1 85 85 VAL HG21 H 1 1.228 0.000 . . . . . A 85 VAL QG2 . 19642 1 1024 . 1 1 85 85 VAL HG22 H 1 1.228 0.000 . . . . . A 85 VAL QG2 . 19642 1 1025 . 1 1 85 85 VAL HG23 H 1 1.228 0.000 . . . . . A 85 VAL QG2 . 19642 1 1026 . 1 1 85 85 VAL CA C 13 64.887 0.000 . . . . . A 85 VAL CA . 19642 1 1027 . 1 1 85 85 VAL CB C 13 34.069 0.000 . . . . . A 85 VAL CB . 19642 1 1028 . 1 1 85 85 VAL CG1 C 13 21.633 0.000 . . . . . A 85 VAL CG1 . 19642 1 1029 . 1 1 85 85 VAL CG2 C 13 21.572 0.000 . . . . . A 85 VAL CG2 . 19642 1 1030 . 1 1 85 85 VAL N N 15 128.143 0.000 . . . . . A 85 VAL N . 19642 1 1031 . 1 1 86 86 GLN H H 1 9.242 0.000 . . . . . A 86 GLN H . 19642 1 1032 . 1 1 86 86 GLN HA H 1 4.903 0.000 . . . . . A 86 GLN HA . 19642 1 1033 . 1 1 86 86 GLN HB2 H 1 2.229 0.000 . . . . . A 86 GLN HB2 . 19642 1 1034 . 1 1 86 86 GLN HB3 H 1 1.893 0.000 . . . . . A 86 GLN HB3 . 19642 1 1035 . 1 1 86 86 GLN HG2 H 1 2.290 0.000 . . . . . A 86 GLN HG2 . 19642 1 1036 . 1 1 86 86 GLN HG3 H 1 2.384 0.000 . . . . . A 86 GLN HG3 . 19642 1 1037 . 1 1 86 86 GLN HE21 H 1 7.456 0.000 . . . . . A 86 GLN HE21 . 19642 1 1038 . 1 1 86 86 GLN HE22 H 1 6.846 0.000 . . . . . A 86 GLN HE22 . 19642 1 1039 . 1 1 86 86 GLN C C 13 175.590 0.000 . . . . . A 86 GLN C . 19642 1 1040 . 1 1 86 86 GLN CA C 13 60.756 0.000 . . . . . A 86 GLN CA . 19642 1 1041 . 1 1 86 86 GLN CB C 13 34.013 0.000 . . . . . A 86 GLN CB . 19642 1 1042 . 1 1 86 86 GLN CG C 13 33.967 0.000 . . . . . A 86 GLN CG . 19642 1 1043 . 1 1 86 86 GLN N N 15 122.965 0.000 . . . . . A 86 GLN N . 19642 1 1044 . 1 1 86 86 GLN NE2 N 15 110.349 0.000 . . . . . A 86 GLN NE2 . 19642 1 1045 . 1 1 87 87 ALA H H 1 8.907 0.000 . . . . . A 87 ALA H . 19642 1 1046 . 1 1 87 87 ALA HA H 1 4.356 0.000 . . . . . A 87 ALA HA . 19642 1 1047 . 1 1 87 87 ALA HB1 H 1 1.509 0.000 . . . . . A 87 ALA QB . 19642 1 1048 . 1 1 87 87 ALA HB2 H 1 1.509 0.000 . . . . . A 87 ALA QB . 19642 1 1049 . 1 1 87 87 ALA HB3 H 1 1.509 0.000 . . . . . A 87 ALA QB . 19642 1 1050 . 1 1 87 87 ALA C C 13 178.095 0.000 . . . . . A 87 ALA C . 19642 1 1051 . 1 1 87 87 ALA CA C 13 52.825 0.000 . . . . . A 87 ALA CA . 19642 1 1052 . 1 1 87 87 ALA CB C 13 18.534 0.000 . . . . . A 87 ALA CB . 19642 1 1053 . 1 1 87 87 ALA N N 15 123.174 0.000 . . . . . A 87 ALA N . 19642 1 1054 . 1 1 88 88 SER H H 1 8.343 0.000 . . . . . A 88 SER H . 19642 1 1055 . 1 1 88 88 SER HA H 1 4.294 0.000 . . . . . A 88 SER HA . 19642 1 1056 . 1 1 88 88 SER HB2 H 1 3.898 0.000 . . . . . A 88 SER HB2 . 19642 1 1057 . 1 1 88 88 SER HB3 H 1 3.861 0.000 . . . . . A 88 SER HB3 . 19642 1 1058 . 1 1 88 88 SER C C 13 175.470 0.000 . . . . . A 88 SER C . 19642 1 1059 . 1 1 88 88 SER CA C 13 59.617 0.000 . . . . . A 88 SER CA . 19642 1 1060 . 1 1 88 88 SER CB C 13 63.409 0.000 . . . . . A 88 SER CB . 19642 1 1061 . 1 1 88 88 SER N N 15 114.952 0.000 . . . . . A 88 SER N . 19642 1 1062 . 1 1 89 89 GLN H H 1 8.348 0.000 . . . . . A 89 GLN H . 19642 1 1063 . 1 1 89 89 GLN HA H 1 4.313 0.000 . . . . . A 89 GLN HA . 19642 1 1064 . 1 1 89 89 GLN HB2 H 1 2.055 0.000 . . . . . A 89 GLN HB2 . 19642 1 1065 . 1 1 89 89 GLN HB3 H 1 1.825 0.000 . . . . . A 89 GLN HB3 . 19642 1 1066 . 1 1 89 89 GLN HG2 H 1 2.273 0.000 . . . . . A 89 GLN HG2 . 19642 1 1067 . 1 1 89 89 GLN HE21 H 1 6.814 0.000 . . . . . A 89 GLN HE21 . 19642 1 1068 . 1 1 89 89 GLN HE22 H 1 7.598 0.000 . . . . . A 89 GLN HE22 . 19642 1 1069 . 1 1 89 89 GLN C C 13 175.838 0.000 . . . . . A 89 GLN C . 19642 1 1070 . 1 1 89 89 GLN CA C 13 55.286 0.000 . . . . . A 89 GLN CA . 19642 1 1071 . 1 1 89 89 GLN CB C 13 29.333 0.000 . . . . . A 89 GLN CB . 19642 1 1072 . 1 1 89 89 GLN CG C 13 33.638 0.000 . . . . . A 89 GLN CG . 19642 1 1073 . 1 1 89 89 GLN N N 15 121.151 0.000 . . . . . A 89 GLN N . 19642 1 1074 . 1 1 89 89 GLN NE2 N 15 112.167 0.000 . . . . . A 89 GLN NE2 . 19642 1 1075 . 1 1 90 90 ALA H H 1 8.245 0.000 . . . . . A 90 ALA H . 19642 1 1076 . 1 1 90 90 ALA HA H 1 4.203 0.000 . . . . . A 90 ALA HA . 19642 1 1077 . 1 1 90 90 ALA HB1 H 1 1.391 0.000 . . . . . A 90 ALA QB . 19642 1 1078 . 1 1 90 90 ALA HB2 H 1 1.391 0.000 . . . . . A 90 ALA QB . 19642 1 1079 . 1 1 90 90 ALA HB3 H 1 1.391 0.000 . . . . . A 90 ALA QB . 19642 1 1080 . 1 1 90 90 ALA C C 13 178.381 0.000 . . . . . A 90 ALA C . 19642 1 1081 . 1 1 90 90 ALA CA C 13 52.762 0.000 . . . . . A 90 ALA CA . 19642 1 1082 . 1 1 90 90 ALA CB C 13 19.071 0.000 . . . . . A 90 ALA CB . 19642 1 1083 . 1 1 90 90 ALA N N 15 124.942 0.000 . . . . . A 90 ALA N . 19642 1 1084 . 1 1 91 91 GLU H H 1 8.414 0.000 . . . . . A 91 GLU H . 19642 1 1085 . 1 1 91 91 GLU HA H 1 4.153 0.000 . . . . . A 91 GLU HA . 19642 1 1086 . 1 1 91 91 GLU HB2 H 1 1.859 0.000 . . . . . A 91 GLU HB2 . 19642 1 1087 . 1 1 91 91 GLU HB3 H 1 1.978 0.000 . . . . . A 91 GLU HB3 . 19642 1 1088 . 1 1 91 91 GLU HG2 H 1 2.167 0.000 . . . . . A 91 GLU QG . 19642 1 1089 . 1 1 91 91 GLU HG3 H 1 2.167 0.000 . . . . . A 91 GLU QG . 19642 1 1090 . 1 1 91 91 GLU C C 13 176.986 0.000 . . . . . A 91 GLU C . 19642 1 1091 . 1 1 91 91 GLU CA C 13 56.535 0.000 . . . . . A 91 GLU CA . 19642 1 1092 . 1 1 91 91 GLU CB C 13 30.029 0.000 . . . . . A 91 GLU CB . 19642 1 1093 . 1 1 91 91 GLU CG C 13 36.019 0.000 . . . . . A 91 GLU CG . 19642 1 1094 . 1 1 91 91 GLU N N 15 119.604 0.000 . . . . . A 91 GLU N . 19642 1 1095 . 1 1 92 92 LYS H H 1 8.212 0.000 . . . . . A 92 LYS H . 19642 1 1096 . 1 1 92 92 LYS HA H 1 4.290 0.000 . . . . . A 92 LYS HA . 19642 1 1097 . 1 1 92 92 LYS HB2 H 1 1.751 0.000 . . . . . A 92 LYS HB2 . 19642 1 1098 . 1 1 92 92 LYS HB3 H 1 1.833 0.000 . . . . . A 92 LYS HB3 . 19642 1 1099 . 1 1 92 92 LYS HG2 H 1 1.410 0.000 . . . . . A 92 LYS QG . 19642 1 1100 . 1 1 92 92 LYS HG3 H 1 1.410 0.000 . . . . . A 92 LYS QG . 19642 1 1101 . 1 1 92 92 LYS C C 13 176.699 0.000 . . . . . A 92 LYS C . 19642 1 1102 . 1 1 92 92 LYS CA C 13 56.042 0.000 . . . . . A 92 LYS CA . 19642 1 1103 . 1 1 92 92 LYS CB C 13 32.705 0.000 . . . . . A 92 LYS CB . 19642 1 1104 . 1 1 92 92 LYS CG C 13 24.628 0.000 . . . . . A 92 LYS CG . 19642 1 1105 . 1 1 92 92 LYS N N 15 121.284 0.000 . . . . . A 92 LYS N . 19642 1 1106 . 1 1 93 93 ASN H H 1 8.370 0.000 . . . . . A 93 ASN H . 19642 1 1107 . 1 1 93 93 ASN HA H 1 4.700 0.000 . . . . . A 93 ASN HA . 19642 1 1108 . 1 1 93 93 ASN HB2 H 1 2.721 0.000 . . . . . A 93 ASN HB2 . 19642 1 1109 . 1 1 93 93 ASN HB3 H 1 2.823 0.000 . . . . . A 93 ASN HB3 . 19642 1 1110 . 1 1 93 93 ASN HD21 H 1 7.635 0.000 . . . . . A 93 ASN HD21 . 19642 1 1111 . 1 1 93 93 ASN HD22 H 1 6.944 0.000 . . . . . A 93 ASN HD22 . 19642 1 1112 . 1 1 93 93 ASN C C 13 174.424 0.000 . . . . . A 93 ASN C . 19642 1 1113 . 1 1 93 93 ASN CA C 13 53.110 0.000 . . . . . A 93 ASN CA . 19642 1 1114 . 1 1 93 93 ASN CB C 13 38.726 0.000 . . . . . A 93 ASN CB . 19642 1 1115 . 1 1 93 93 ASN N N 15 119.221 0.000 . . . . . A 93 ASN N . 19642 1 1116 . 1 1 93 93 ASN ND2 N 15 113.014 0.000 . . . . . A 93 ASN ND2 . 19642 1 1117 . 1 1 94 94 ARG H H 1 7.813 0.000 . . . . . A 94 ARG H . 19642 1 1118 . 1 1 94 94 ARG HA H 1 4.151 0.000 . . . . . A 94 ARG HA . 19642 1 1119 . 1 1 94 94 ARG HB2 H 1 1.718 0.000 . . . . . A 94 ARG QB . 19642 1 1120 . 1 1 94 94 ARG HB3 H 1 1.718 0.000 . . . . . A 94 ARG QB . 19642 1 1121 . 1 1 94 94 ARG CA C 13 57.238 0.000 . . . . . A 94 ARG CA . 19642 1 1122 . 1 1 94 94 ARG CB C 13 31.449 0.000 . . . . . A 94 ARG CB . 19642 1 1123 . 1 1 94 94 ARG N N 15 125.664 0.000 . . . . . A 94 ARG N . 19642 1 stop_ save_