data_6354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6354 _Entry.Title ; 1H, 13C and 15N resonance assignments and 15N-1H residual dipolar couplings for NECAP1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-13 _Entry.Accession_date 2004-10-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexei Denisov . Yu. . 6354 2 Kalle Gehring . . . 6354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6354 RDCs 1 6354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 645 6354 '13C chemical shifts' 498 6354 '15N chemical shifts' 124 6354 'residual dipolar couplings' 121 6354 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 . . 2008-07-01 . update BMRB 'update entry citation' 6354 2 . . 2006-01-08 . original author 'original release' 6354 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6354 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17762867 _Citation.Full_citation . _Citation.Title 'Solution structure of NECAP1 protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 18 _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 4066 _Citation.Page_last 4077 _Citation.Year 2007 _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 Brigitte Ritter . . . 6354 1 2 Alexey Denisov . Yu. . 6354 1 3 Jacynthe Philie . . . 6354 1 4 Patrick Allaire . D . 6354 1 5 Valerie Legendre-Guillemin . . . 6354 1 6 Peter Zylbergold . . . 6354 1 7 Kalle Gehring . . . 6354 1 8 Peter McPherson . S. . 6354 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NECAP1 6354 1 'NMR assignments' 6354 1 RDC 6354 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NECAP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NECAP1 _Assembly.Entry_ID 6354 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of NECAP1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6354 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NECAP1 monomer' 1 $NECAP1_monomer . . . native . . . . . 6354 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1TQZ . . . . . . 6354 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-terminal domain of NECAP1 protein' system 6354 1 NECAP1 abbreviation 6354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NECAP1_monomer _Entity.Sf_category entity _Entity.Sf_framecode NECAP1_monomer _Entity.Entry_ID 6354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NECAP1 protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAELEYESVLCVKPDVSVY RIPPRASNRGYRASDWKLDQ PDWTGRLRITSKGKIAYIKL EDKVSGELFAQAPVEQYPGI AVETVTDSSRYFVIRIQDGT GRSAFIGIGFTDRGDAFDFN VSLQDHFKWVKQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . tpg|DAA01433.1| DAA01433 . 'TPA_exp: adaptin-ear-binding coat-associated protein 1 [Mus musculus]' . . . . . 100.00 275 100.00 100.00 8.25e-74 . . . . 6354 1 . . SWISS-PROT Q9CR95 . 'Adaptin ear-binding coat-associated protein 1 (NECAP endocytosis-associated protein 1) (NECAP-1)' . . . . . 100.00 275 100.00 100.00 8.25e-74 . . . . 6354 1 . . SWISS-PROT Q8NC96 . 'Adaptin ear-binding coat-associated protein 1 (NECAP endocytosis-associated protein 1) (NECAP-1)' . . . . . 100.00 275 98.50 98.50 1.36e-72 . . . . 6354 1 . . SWISS-PROT Q5R630 . 'Adaptin ear-binding coat-associated protein 1 (NECAP endocytosis-associated protein 1) (NECAP-1)' . . . . . 100.00 275 99.25 99.25 3.70e-73 . . . . 6354 1 . . SWISS-PROT P69682 . 'Adaptin ear-binding coat-associated protein 1 (NECAP endocytosis-associated protein 1) (NECAP-1)' . . . . . 100.00 277 99.25 99.25 2.36e-73 . . . . 6354 1 . . REF XP_001113344 . 'PREDICTED: similar to adaptin-ear-binding coat-associated protein 1 isoform 2 [Macaca mulatta]' . . . . . 100.00 275 100.00 100.00 1.35e-73 . . . . 6354 1 . . REF XP_001113313 . 'PREDICTED: similar to adaptin-ear-binding coat-associated protein 1 isoform 1 [Macaca mulatta]' . . . . . 100.00 275 100.00 100.00 1.35e-73 . . . . 6354 1 . . REF NP_080543 . 'NECAP endocytosis associated 1 [Mus musculus]' . . . . . 100.00 275 100.00 100.00 8.25e-74 . . . . 6354 1 . . REF NP_056324 . 'NECAP endocytosis associated 1 [Homo sapiens]' . . . . . 100.00 275 98.50 98.50 1.36e-72 . . . . 6354 1 . . REF NP_001025090 . 'adaptin ear-binding clathrin-associated protein [Rattus norvegicus]' . . . . . 100.00 277 99.25 99.25 2.36e-73 . . . . 6354 1 . . GenBank AAI20842 . 'NECAP endocytosis associated 1 [Mus musculus]' . . . . . 100.00 275 100.00 100.00 8.25e-74 . . . . 6354 1 . . GenBank AAI19134 . 'NECAP endocytosis associated 1 [Mus musculus]' . . . . . 100.00 275 100.00 100.00 8.25e-74 . . . . 6354 1 . . GenBank AAI10877 . 'NECAP endocytosis associated 1 [Homo sapiens]' . . . . . 100.00 275 98.50 98.50 1.36e-72 . . . . 6354 1 . . GenBank AAH97496 . 'NECAP endocytosis associated 1 [Rattus norvegicus]' . . . . . 100.00 277 99.25 99.25 2.36e-73 . . . . 6354 1 . . GenBank AAH11466 . 'NECAP endocytosis associated 1 [Mus musculus]' . . . . . 100.00 275 100.00 100.00 8.25e-74 . . . . 6354 1 . . EMBL CAH92786 . 'hypothetical protein [Pongo abelii]' . . . . . 100.00 275 99.25 99.25 3.70e-73 . . . . 6354 1 . . EMBL CAH92713 . 'hypothetical protein [Pongo abelii]' . . . . . 100.00 275 99.25 99.25 3.96e-73 . . . . 6354 1 . . DBJ BAC11296 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 275 98.50 98.50 1.36e-72 . . . . 6354 1 . . DBJ BAC11264 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 275 98.50 98.50 1.42e-72 . . . . 6354 1 . . DBJ BAC11250 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 275 98.50 98.50 1.35e-72 . . . . 6354 1 . . DBJ BAB23915 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 275 100.00 100.00 8.25e-74 . . . . 6354 1 . . DBJ BAB23577 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 275 100.00 100.00 8.25e-74 . . . . 6354 1 . . PDB 1TQZ . 'Solution Structure Of Necap1 Protein' . . . . . 100.00 133 100.00 100.00 2.00e-72 . . . . 6354 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NECAP1 protein' common 6354 1 NECAP1 abbreviation 6354 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6354 1 2 . ALA . 6354 1 3 . ALA . 6354 1 4 . GLU . 6354 1 5 . LEU . 6354 1 6 . GLU . 6354 1 7 . TYR . 6354 1 8 . GLU . 6354 1 9 . SER . 6354 1 10 . VAL . 6354 1 11 . LEU . 6354 1 12 . CYS . 6354 1 13 . VAL . 6354 1 14 . LYS . 6354 1 15 . PRO . 6354 1 16 . ASP . 6354 1 17 . VAL . 6354 1 18 . SER . 6354 1 19 . VAL . 6354 1 20 . TYR . 6354 1 21 . ARG . 6354 1 22 . ILE . 6354 1 23 . PRO . 6354 1 24 . PRO . 6354 1 25 . ARG . 6354 1 26 . ALA . 6354 1 27 . SER . 6354 1 28 . ASN . 6354 1 29 . ARG . 6354 1 30 . GLY . 6354 1 31 . TYR . 6354 1 32 . ARG . 6354 1 33 . ALA . 6354 1 34 . SER . 6354 1 35 . ASP . 6354 1 36 . TRP . 6354 1 37 . LYS . 6354 1 38 . LEU . 6354 1 39 . ASP . 6354 1 40 . GLN . 6354 1 41 . PRO . 6354 1 42 . ASP . 6354 1 43 . TRP . 6354 1 44 . THR . 6354 1 45 . GLY . 6354 1 46 . ARG . 6354 1 47 . LEU . 6354 1 48 . ARG . 6354 1 49 . ILE . 6354 1 50 . THR . 6354 1 51 . SER . 6354 1 52 . LYS . 6354 1 53 . GLY . 6354 1 54 . LYS . 6354 1 55 . ILE . 6354 1 56 . ALA . 6354 1 57 . TYR . 6354 1 58 . ILE . 6354 1 59 . LYS . 6354 1 60 . LEU . 6354 1 61 . GLU . 6354 1 62 . ASP . 6354 1 63 . LYS . 6354 1 64 . VAL . 6354 1 65 . SER . 6354 1 66 . GLY . 6354 1 67 . GLU . 6354 1 68 . LEU . 6354 1 69 . PHE . 6354 1 70 . ALA . 6354 1 71 . GLN . 6354 1 72 . ALA . 6354 1 73 . PRO . 6354 1 74 . VAL . 6354 1 75 . GLU . 6354 1 76 . GLN . 6354 1 77 . TYR . 6354 1 78 . PRO . 6354 1 79 . GLY . 6354 1 80 . ILE . 6354 1 81 . ALA . 6354 1 82 . VAL . 6354 1 83 . GLU . 6354 1 84 . THR . 6354 1 85 . VAL . 6354 1 86 . THR . 6354 1 87 . ASP . 6354 1 88 . SER . 6354 1 89 . SER . 6354 1 90 . ARG . 6354 1 91 . TYR . 6354 1 92 . PHE . 6354 1 93 . VAL . 6354 1 94 . ILE . 6354 1 95 . ARG . 6354 1 96 . ILE . 6354 1 97 . GLN . 6354 1 98 . ASP . 6354 1 99 . GLY . 6354 1 100 . THR . 6354 1 101 . GLY . 6354 1 102 . ARG . 6354 1 103 . SER . 6354 1 104 . ALA . 6354 1 105 . PHE . 6354 1 106 . ILE . 6354 1 107 . GLY . 6354 1 108 . ILE . 6354 1 109 . GLY . 6354 1 110 . PHE . 6354 1 111 . THR . 6354 1 112 . ASP . 6354 1 113 . ARG . 6354 1 114 . GLY . 6354 1 115 . ASP . 6354 1 116 . ALA . 6354 1 117 . PHE . 6354 1 118 . ASP . 6354 1 119 . PHE . 6354 1 120 . ASN . 6354 1 121 . VAL . 6354 1 122 . SER . 6354 1 123 . LEU . 6354 1 124 . GLN . 6354 1 125 . ASP . 6354 1 126 . HIS . 6354 1 127 . PHE . 6354 1 128 . LYS . 6354 1 129 . TRP . 6354 1 130 . VAL . 6354 1 131 . LYS . 6354 1 132 . GLN . 6354 1 133 . GLU . 6354 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6354 1 . ALA 2 2 6354 1 . ALA 3 3 6354 1 . GLU 4 4 6354 1 . LEU 5 5 6354 1 . GLU 6 6 6354 1 . TYR 7 7 6354 1 . GLU 8 8 6354 1 . SER 9 9 6354 1 . VAL 10 10 6354 1 . LEU 11 11 6354 1 . CYS 12 12 6354 1 . VAL 13 13 6354 1 . LYS 14 14 6354 1 . PRO 15 15 6354 1 . ASP 16 16 6354 1 . VAL 17 17 6354 1 . SER 18 18 6354 1 . VAL 19 19 6354 1 . TYR 20 20 6354 1 . ARG 21 21 6354 1 . ILE 22 22 6354 1 . PRO 23 23 6354 1 . PRO 24 24 6354 1 . ARG 25 25 6354 1 . ALA 26 26 6354 1 . SER 27 27 6354 1 . ASN 28 28 6354 1 . ARG 29 29 6354 1 . GLY 30 30 6354 1 . TYR 31 31 6354 1 . ARG 32 32 6354 1 . ALA 33 33 6354 1 . SER 34 34 6354 1 . ASP 35 35 6354 1 . TRP 36 36 6354 1 . LYS 37 37 6354 1 . LEU 38 38 6354 1 . ASP 39 39 6354 1 . GLN 40 40 6354 1 . PRO 41 41 6354 1 . ASP 42 42 6354 1 . TRP 43 43 6354 1 . THR 44 44 6354 1 . GLY 45 45 6354 1 . ARG 46 46 6354 1 . LEU 47 47 6354 1 . ARG 48 48 6354 1 . ILE 49 49 6354 1 . THR 50 50 6354 1 . SER 51 51 6354 1 . LYS 52 52 6354 1 . GLY 53 53 6354 1 . LYS 54 54 6354 1 . ILE 55 55 6354 1 . ALA 56 56 6354 1 . TYR 57 57 6354 1 . ILE 58 58 6354 1 . LYS 59 59 6354 1 . LEU 60 60 6354 1 . GLU 61 61 6354 1 . ASP 62 62 6354 1 . LYS 63 63 6354 1 . VAL 64 64 6354 1 . SER 65 65 6354 1 . GLY 66 66 6354 1 . GLU 67 67 6354 1 . LEU 68 68 6354 1 . PHE 69 69 6354 1 . ALA 70 70 6354 1 . GLN 71 71 6354 1 . ALA 72 72 6354 1 . PRO 73 73 6354 1 . VAL 74 74 6354 1 . GLU 75 75 6354 1 . GLN 76 76 6354 1 . TYR 77 77 6354 1 . PRO 78 78 6354 1 . GLY 79 79 6354 1 . ILE 80 80 6354 1 . ALA 81 81 6354 1 . VAL 82 82 6354 1 . GLU 83 83 6354 1 . THR 84 84 6354 1 . VAL 85 85 6354 1 . THR 86 86 6354 1 . ASP 87 87 6354 1 . SER 88 88 6354 1 . SER 89 89 6354 1 . ARG 90 90 6354 1 . TYR 91 91 6354 1 . PHE 92 92 6354 1 . VAL 93 93 6354 1 . ILE 94 94 6354 1 . ARG 95 95 6354 1 . ILE 96 96 6354 1 . GLN 97 97 6354 1 . ASP 98 98 6354 1 . GLY 99 99 6354 1 . THR 100 100 6354 1 . GLY 101 101 6354 1 . ARG 102 102 6354 1 . SER 103 103 6354 1 . ALA 104 104 6354 1 . PHE 105 105 6354 1 . ILE 106 106 6354 1 . GLY 107 107 6354 1 . ILE 108 108 6354 1 . GLY 109 109 6354 1 . PHE 110 110 6354 1 . THR 111 111 6354 1 . ASP 112 112 6354 1 . ARG 113 113 6354 1 . GLY 114 114 6354 1 . ASP 115 115 6354 1 . ALA 116 116 6354 1 . PHE 117 117 6354 1 . ASP 118 118 6354 1 . PHE 119 119 6354 1 . ASN 120 120 6354 1 . VAL 121 121 6354 1 . SER 122 122 6354 1 . LEU 123 123 6354 1 . GLN 124 124 6354 1 . ASP 125 125 6354 1 . HIS 126 126 6354 1 . PHE 127 127 6354 1 . LYS 128 128 6354 1 . TRP 129 129 6354 1 . VAL 130 130 6354 1 . LYS 131 131 6354 1 . GLN 132 132 6354 1 . GLU 133 133 6354 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 6354 _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 $NECAP1_monomer . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6354 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 6354 _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 $NECAP1_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21Gold . . . . . . . . . . . . plasmid . . pGEX-4T1 . . . . . . 6354 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NECAP1 protein' '[U-99% 13C; U-99% 15N]' . . 1 $NECAP1_monomer . . 1.4 . . mM . . . . 6354 1 2 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6354 1 3 NaCl . . . . . . . 75 . . mM . . . . 6354 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6354 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NECAP1 protein' '[U-99% 15N]' . . 1 $NECAP1_monomer . . 1.4 . . mM . . . . 6354 2 2 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6354 2 3 NaCl . . . . . . . 75 . . mM . . . . 6354 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6354 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NECAP1 protein' '[U-99% 15N]' . . 1 $NECAP1_monomer . . 0.6 . . mM . . . . 6354 3 2 'sodium phosphate buffer' . . . . . . . 25 . . mM . . . . 6354 3 3 NaCl . . . . . . . 75 . . mM . . . . 6354 3 4 'Pf1 phage' . . . . . . . 8.0 . . mg/mL . . . . 6354 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6354 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.1 pH 6354 1 temperature 303 0.5 K 6354 1 'ionic strength' 0.10 . M 6354 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6354 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details 'Bruker firm' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'collection, processing' 6354 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6354 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details 'Bartels et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6354 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6354 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 6354 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 6354 _Experiment_list.ID 1 _Experiment_list.Details ; Cryoprobe was employed. IPAP-HSQC experiment was used for determination of residual dipolar couplings [Ottiger, M., Delaglio, F., and Bax, A.]. ; 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 IPAP-HSQC . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6354 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6354 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6354 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6354 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6354 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6354 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6354 1 . . 2 $sample_2 . 6354 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CB C 13 32.5 0.20 . 1 . . . . . . . . 6354 1 2 . 1 1 1 1 MET CA C 13 55.5 0.20 . 1 . . . . . . . . 6354 1 3 . 1 1 1 1 MET CG C 13 31.8 0.20 . 1 . . . . . . . . 6354 1 4 . 1 1 1 1 MET C C 13 175.9 0.20 . 1 . . . . . . . . 6354 1 5 . 1 1 1 1 MET HA H 1 4.43 0.01 . 1 . . . . . . . . 6354 1 6 . 1 1 1 1 MET HB2 H 1 1.96 0.01 . 2 . . . . . . . . 6354 1 7 . 1 1 1 1 MET HG2 H 1 2.50 0.01 . 2 . . . . . . . . 6354 1 8 . 1 1 2 2 ALA N N 15 124.8 0.25 . 1 . . . . . . . . 6354 1 9 . 1 1 2 2 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 6354 1 10 . 1 1 2 2 ALA CB C 13 18.8 0.20 . 1 . . . . . . . . 6354 1 11 . 1 1 2 2 ALA CA C 13 52.7 0.20 . 1 . . . . . . . . 6354 1 12 . 1 1 2 2 ALA C C 13 177.5 0.20 . 1 . . . . . . . . 6354 1 13 . 1 1 2 2 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 6354 1 14 . 1 1 2 2 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 6354 1 15 . 1 1 2 2 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 6354 1 16 . 1 1 2 2 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 6354 1 17 . 1 1 3 3 ALA N N 15 122.6 0.25 . 1 . . . . . . . . 6354 1 18 . 1 1 3 3 ALA H H 1 8.15 0.01 . 1 . . . . . . . . 6354 1 19 . 1 1 3 3 ALA CB C 13 18.9 0.20 . 1 . . . . . . . . 6354 1 20 . 1 1 3 3 ALA CA C 13 52.8 0.20 . 1 . . . . . . . . 6354 1 21 . 1 1 3 3 ALA C C 13 177.9 0.20 . 1 . . . . . . . . 6354 1 22 . 1 1 3 3 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 6354 1 23 . 1 1 3 3 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 6354 1 24 . 1 1 3 3 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 6354 1 25 . 1 1 3 3 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 6354 1 26 . 1 1 4 4 GLU N N 15 118.8 0.25 . 1 . . . . . . . . 6354 1 27 . 1 1 4 4 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 6354 1 28 . 1 1 4 4 GLU CB C 13 29.9 0.20 . 1 . . . . . . . . 6354 1 29 . 1 1 4 4 GLU CA C 13 56.7 0.20 . 1 . . . . . . . . 6354 1 30 . 1 1 4 4 GLU CG C 13 36.3 0.20 . 1 . . . . . . . . 6354 1 31 . 1 1 4 4 GLU C C 13 176.5 0.20 . 1 . . . . . . . . 6354 1 32 . 1 1 4 4 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 6354 1 33 . 1 1 4 4 GLU HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6354 1 34 . 1 1 4 4 GLU HG2 H 1 2.22 0.01 . 2 . . . . . . . . 6354 1 35 . 1 1 5 5 LEU N N 15 121.8 0.25 . 1 . . . . . . . . 6354 1 36 . 1 1 5 5 LEU H H 1 7.99 0.01 . 1 . . . . . . . . 6354 1 37 . 1 1 5 5 LEU CB C 13 42.2 0.20 . 1 . . . . . . . . 6354 1 38 . 1 1 5 5 LEU CA C 13 55.1 0.20 . 1 . . . . . . . . 6354 1 39 . 1 1 5 5 LEU CG C 13 26.8 0.20 . 1 . . . . . . . . 6354 1 40 . 1 1 5 5 LEU CD1 C 13 24.9 0.20 . 2 . . . . . . . . 6354 1 41 . 1 1 5 5 LEU CD2 C 13 23.2 0.20 . 2 . . . . . . . . 6354 1 42 . 1 1 5 5 LEU C C 13 177.0 0.20 . 1 . . . . . . . . 6354 1 43 . 1 1 5 5 LEU HA H 1 4.23 0.01 . 1 . . . . . . . . 6354 1 44 . 1 1 5 5 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 6354 1 45 . 1 1 5 5 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 6354 1 46 . 1 1 5 5 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 6354 1 47 . 1 1 5 5 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 6354 1 48 . 1 1 6 6 GLU N N 15 120.2 0.25 . 1 . . . . . . . . 6354 1 49 . 1 1 6 6 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 6354 1 50 . 1 1 6 6 GLU CB C 13 30.4 0.20 . 1 . . . . . . . . 6354 1 51 . 1 1 6 6 GLU CA C 13 56.1 0.20 . 1 . . . . . . . . 6354 1 52 . 1 1 6 6 GLU CG C 13 36.3 0.20 . 1 . . . . . . . . 6354 1 53 . 1 1 6 6 GLU C C 13 175.5 0.20 . 1 . . . . . . . . 6354 1 54 . 1 1 6 6 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 6354 1 55 . 1 1 6 6 GLU HB2 H 1 1.86 0.01 . 2 . . . . . . . . 6354 1 56 . 1 1 6 6 GLU HG2 H 1 2.10 0.01 . 2 . . . . . . . . 6354 1 57 . 1 1 7 7 TYR N N 15 120.9 0.25 . 1 . . . . . . . . 6354 1 58 . 1 1 7 7 TYR H H 1 7.99 0.01 . 1 . . . . . . . . 6354 1 59 . 1 1 7 7 TYR CB C 13 39.0 0.20 . 1 . . . . . . . . 6354 1 60 . 1 1 7 7 TYR CA C 13 57.7 0.20 . 1 . . . . . . . . 6354 1 61 . 1 1 7 7 TYR C C 13 174.7 0.20 . 1 . . . . . . . . 6354 1 62 . 1 1 7 7 TYR HA H 1 4.50 0.01 . 1 . . . . . . . . 6354 1 63 . 1 1 7 7 TYR HB2 H 1 2.93 0.01 . 2 . . . . . . . . 6354 1 64 . 1 1 7 7 TYR HD1 H 1 7.02 0.01 . 3 . . . . . . . . 6354 1 65 . 1 1 8 8 GLU N N 15 123.7 0.25 . 1 . . . . . . . . 6354 1 66 . 1 1 8 8 GLU H H 1 8.21 0.01 . 1 . . . . . . . . 6354 1 67 . 1 1 8 8 GLU CB C 13 31.7 0.20 . 1 . . . . . . . . 6354 1 68 . 1 1 8 8 GLU CA C 13 55.1 0.20 . 1 . . . . . . . . 6354 1 69 . 1 1 8 8 GLU CG C 13 36.4 0.20 . 1 . . . . . . . . 6354 1 70 . 1 1 8 8 GLU C C 13 175.5 0.20 . 1 . . . . . . . . 6354 1 71 . 1 1 8 8 GLU HA H 1 4.89 0.01 . 1 . . . . . . . . 6354 1 72 . 1 1 8 8 GLU HB2 H 1 1.74 0.01 . 2 . . . . . . . . 6354 1 73 . 1 1 8 8 GLU HG2 H 1 2.03 0.01 . 2 . . . . . . . . 6354 1 74 . 1 1 9 9 SER N N 15 119.7 0.25 . 1 . . . . . . . . 6354 1 75 . 1 1 9 9 SER H H 1 8.55 0.01 . 1 . . . . . . . . 6354 1 76 . 1 1 9 9 SER CB C 13 64.4 0.20 . 1 . . . . . . . . 6354 1 77 . 1 1 9 9 SER CA C 13 57.3 0.20 . 1 . . . . . . . . 6354 1 78 . 1 1 9 9 SER C C 13 173.2 0.20 . 1 . . . . . . . . 6354 1 79 . 1 1 9 9 SER HA H 1 4.64 0.01 . 1 . . . . . . . . 6354 1 80 . 1 1 9 9 SER HB2 H 1 3.76 0.01 . 2 . . . . . . . . 6354 1 81 . 1 1 10 10 VAL N N 15 123.4 0.25 . 1 . . . . . . . . 6354 1 82 . 1 1 10 10 VAL H H 1 8.69 0.01 . 1 . . . . . . . . 6354 1 83 . 1 1 10 10 VAL CB C 13 32.0 0.20 . 1 . . . . . . . . 6354 1 84 . 1 1 10 10 VAL CA C 13 63.1 0.20 . 1 . . . . . . . . 6354 1 85 . 1 1 10 10 VAL CG1 C 13 21.5 0.20 . 1 . . . . . . . . 6354 1 86 . 1 1 10 10 VAL C C 13 175.8 0.20 . 1 . . . . . . . . 6354 1 87 . 1 1 10 10 VAL HA H 1 4.09 0.01 . 1 . . . . . . . . 6354 1 88 . 1 1 10 10 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 6354 1 89 . 1 1 10 10 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 6354 1 90 . 1 1 10 10 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 6354 1 91 . 1 1 10 10 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 6354 1 92 . 1 1 11 11 LEU N N 15 126.6 0.25 . 1 . . . . . . . . 6354 1 93 . 1 1 11 11 LEU H H 1 9.17 0.01 . 1 . . . . . . . . 6354 1 94 . 1 1 11 11 LEU CB C 13 42.7 0.20 . 1 . . . . . . . . 6354 1 95 . 1 1 11 11 LEU CA C 13 55.5 0.20 . 1 . . . . . . . . 6354 1 96 . 1 1 11 11 LEU CG C 13 27.1 0.20 . 1 . . . . . . . . 6354 1 97 . 1 1 11 11 LEU CD1 C 13 24.5 0.20 . 2 . . . . . . . . 6354 1 98 . 1 1 11 11 LEU CD2 C 13 22.0 0.20 . 2 . . . . . . . . 6354 1 99 . 1 1 11 11 LEU C C 13 177.2 0.20 . 1 . . . . . . . . 6354 1 100 . 1 1 11 11 LEU HA H 1 4.38 0.01 . 1 . . . . . . . . 6354 1 101 . 1 1 11 11 LEU HB2 H 1 1.34 0.01 . 2 . . . . . . . . 6354 1 102 . 1 1 11 11 LEU HD11 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 103 . 1 1 11 11 LEU HD12 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 104 . 1 1 11 11 LEU HD13 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 105 . 1 1 11 11 LEU HD21 H 1 0.50 0.01 . 2 . . . . . . . . 6354 1 106 . 1 1 11 11 LEU HD22 H 1 0.50 0.01 . 2 . . . . . . . . 6354 1 107 . 1 1 11 11 LEU HD23 H 1 0.50 0.01 . 2 . . . . . . . . 6354 1 108 . 1 1 12 12 CYS N N 15 116.5 0.25 . 1 . . . . . . . . 6354 1 109 . 1 1 12 12 CYS H H 1 7.42 0.01 . 1 . . . . . . . . 6354 1 110 . 1 1 12 12 CYS CB C 13 29.2 0.20 . 1 . . . . . . . . 6354 1 111 . 1 1 12 12 CYS CA C 13 58.6 0.20 . 1 . . . . . . . . 6354 1 112 . 1 1 12 12 CYS C C 13 172.1 0.20 . 1 . . . . . . . . 6354 1 113 . 1 1 12 12 CYS HA H 1 4.48 0.01 . 1 . . . . . . . . 6354 1 114 . 1 1 12 12 CYS HB2 H 1 3.16 0.01 . 2 . . . . . . . . 6354 1 115 . 1 1 12 12 CYS HB3 H 1 2.24 0.01 . 2 . . . . . . . . 6354 1 116 . 1 1 13 13 VAL N N 15 128.1 0.25 . 1 . . . . . . . . 6354 1 117 . 1 1 13 13 VAL H H 1 8.73 0.01 . 1 . . . . . . . . 6354 1 118 . 1 1 13 13 VAL CB C 13 34.5 0.20 . 1 . . . . . . . . 6354 1 119 . 1 1 13 13 VAL CA C 13 61.7 0.20 . 1 . . . . . . . . 6354 1 120 . 1 1 13 13 VAL CG1 C 13 20.7 0.20 . 1 . . . . . . . . 6354 1 121 . 1 1 13 13 VAL C C 13 175.2 0.20 . 1 . . . . . . . . 6354 1 122 . 1 1 13 13 VAL HA H 1 4.88 0.01 . 1 . . . . . . . . 6354 1 123 . 1 1 13 13 VAL HB H 1 1.96 0.01 . 1 . . . . . . . . 6354 1 124 . 1 1 13 13 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . 6354 1 125 . 1 1 13 13 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . 6354 1 126 . 1 1 13 13 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . 6354 1 127 . 1 1 14 14 LYS N N 15 126.0 0.25 . 1 . . . . . . . . 6354 1 128 . 1 1 14 14 LYS H H 1 9.62 0.01 . 1 . . . . . . . . 6354 1 129 . 1 1 14 14 LYS CB C 13 34.0 0.20 . 1 . . . . . . . . 6354 1 130 . 1 1 14 14 LYS CA C 13 49.8 0.20 . 1 . . . . . . . . 6354 1 131 . 1 1 14 14 LYS C C 13 174.1 0.20 . 1 . . . . . . . . 6354 1 132 . 1 1 14 14 LYS HA H 1 5.21 0.01 . 1 . . . . . . . . 6354 1 133 . 1 1 14 14 LYS HB2 H 1 1.55 0.01 . 2 . . . . . . . . 6354 1 134 . 1 1 15 15 PRO CB C 13 32.7 0.20 . 1 . . . . . . . . 6354 1 135 . 1 1 15 15 PRO CA C 13 63.7 0.20 . 1 . . . . . . . . 6354 1 136 . 1 1 15 15 PRO CG C 13 26.6 0.20 . 1 . . . . . . . . 6354 1 137 . 1 1 15 15 PRO CD C 13 51.1 0.20 . 1 . . . . . . . . 6354 1 138 . 1 1 15 15 PRO C C 13 175.0 0.20 . 1 . . . . . . . . 6354 1 139 . 1 1 15 15 PRO HA H 1 4.38 0.01 . 1 . . . . . . . . 6354 1 140 . 1 1 15 15 PRO HB2 H 1 2.04 0.01 . 2 . . . . . . . . 6354 1 141 . 1 1 15 15 PRO HB3 H 1 2.17 0.01 . 2 . . . . . . . . 6354 1 142 . 1 1 16 16 ASP N N 15 115.5 0.25 . 1 . . . . . . . . 6354 1 143 . 1 1 16 16 ASP H H 1 7.85 0.01 . 1 . . . . . . . . 6354 1 144 . 1 1 16 16 ASP CB C 13 43.4 0.20 . 1 . . . . . . . . 6354 1 145 . 1 1 16 16 ASP CA C 13 54.3 0.20 . 1 . . . . . . . . 6354 1 146 . 1 1 16 16 ASP C C 13 174.2 0.20 . 1 . . . . . . . . 6354 1 147 . 1 1 16 16 ASP HA H 1 4.93 0.01 . 1 . . . . . . . . 6354 1 148 . 1 1 16 16 ASP HB2 H 1 2.51 0.01 . 2 . . . . . . . . 6354 1 149 . 1 1 17 17 VAL N N 15 124.8 0.25 . 1 . . . . . . . . 6354 1 150 . 1 1 17 17 VAL H H 1 8.84 0.01 . 1 . . . . . . . . 6354 1 151 . 1 1 17 17 VAL CB C 13 34.5 0.20 . 1 . . . . . . . . 6354 1 152 . 1 1 17 17 VAL CA C 13 60.9 0.20 . 1 . . . . . . . . 6354 1 153 . 1 1 17 17 VAL CG1 C 13 22.3 0.20 . 1 . . . . . . . . 6354 1 154 . 1 1 17 17 VAL CG2 C 13 20.6 0.20 . 1 . . . . . . . . 6354 1 155 . 1 1 17 17 VAL C C 13 173.0 0.20 . 1 . . . . . . . . 6354 1 156 . 1 1 17 17 VAL HA H 1 4.36 0.01 . 1 . . . . . . . . 6354 1 157 . 1 1 17 17 VAL HB H 1 1.62 0.01 . 1 . . . . . . . . 6354 1 158 . 1 1 17 17 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . 6354 1 159 . 1 1 17 17 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . 6354 1 160 . 1 1 17 17 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . 6354 1 161 . 1 1 17 17 VAL HG21 H 1 0.54 0.01 . 2 . . . . . . . . 6354 1 162 . 1 1 17 17 VAL HG22 H 1 0.54 0.01 . 2 . . . . . . . . 6354 1 163 . 1 1 17 17 VAL HG23 H 1 0.54 0.01 . 2 . . . . . . . . 6354 1 164 . 1 1 18 18 SER N N 15 119.9 0.25 . 1 . . . . . . . . 6354 1 165 . 1 1 18 18 SER H H 1 8.04 0.01 . 1 . . . . . . . . 6354 1 166 . 1 1 18 18 SER CB C 13 66.3 0.20 . 1 . . . . . . . . 6354 1 167 . 1 1 18 18 SER CA C 13 57.8 0.20 . 1 . . . . . . . . 6354 1 168 . 1 1 18 18 SER C C 13 172.0 0.20 . 1 . . . . . . . . 6354 1 169 . 1 1 18 18 SER HA H 1 5.02 0.01 . 1 . . . . . . . . 6354 1 170 . 1 1 18 18 SER HB2 H 1 3.62 0.01 . 2 . . . . . . . . 6354 1 171 . 1 1 18 18 SER HB3 H 1 3.47 0.01 . 2 . . . . . . . . 6354 1 172 . 1 1 19 19 VAL N N 15 121.5 0.25 . 1 . . . . . . . . 6354 1 173 . 1 1 19 19 VAL H H 1 8.50 0.01 . 1 . . . . . . . . 6354 1 174 . 1 1 19 19 VAL CB C 13 34.7 0.20 . 1 . . . . . . . . 6354 1 175 . 1 1 19 19 VAL CA C 13 60.3 0.20 . 1 . . . . . . . . 6354 1 176 . 1 1 19 19 VAL CG1 C 13 24.2 0.20 . 1 . . . . . . . . 6354 1 177 . 1 1 19 19 VAL CG2 C 13 21.3 0.20 . 1 . . . . . . . . 6354 1 178 . 1 1 19 19 VAL C C 13 173.2 0.20 . 1 . . . . . . . . 6354 1 179 . 1 1 19 19 VAL HA H 1 5.07 0.01 . 1 . . . . . . . . 6354 1 180 . 1 1 19 19 VAL HB H 1 1.98 0.01 . 1 . . . . . . . . 6354 1 181 . 1 1 19 19 VAL HG11 H 1 0.91 0.01 . 2 . . . . . . . . 6354 1 182 . 1 1 19 19 VAL HG12 H 1 0.91 0.01 . 2 . . . . . . . . 6354 1 183 . 1 1 19 19 VAL HG13 H 1 0.91 0.01 . 2 . . . . . . . . 6354 1 184 . 1 1 19 19 VAL HG21 H 1 0.65 0.01 . 2 . . . . . . . . 6354 1 185 . 1 1 19 19 VAL HG22 H 1 0.65 0.01 . 2 . . . . . . . . 6354 1 186 . 1 1 19 19 VAL HG23 H 1 0.65 0.01 . 2 . . . . . . . . 6354 1 187 . 1 1 20 20 TYR N N 15 124.4 0.25 . 1 . . . . . . . . 6354 1 188 . 1 1 20 20 TYR H H 1 8.99 0.01 . 1 . . . . . . . . 6354 1 189 . 1 1 20 20 TYR CB C 13 41.5 0.20 . 1 . . . . . . . . 6354 1 190 . 1 1 20 20 TYR CA C 13 56.3 0.20 . 1 . . . . . . . . 6354 1 191 . 1 1 20 20 TYR C C 13 175.3 0.20 . 1 . . . . . . . . 6354 1 192 . 1 1 20 20 TYR HA H 1 4.82 0.01 . 1 . . . . . . . . 6354 1 193 . 1 1 20 20 TYR HB2 H 1 2.77 0.01 . 2 . . . . . . . . 6354 1 194 . 1 1 21 21 ARG N N 15 123.7 0.25 . 1 . . . . . . . . 6354 1 195 . 1 1 21 21 ARG H H 1 8.74 0.01 . 1 . . . . . . . . 6354 1 196 . 1 1 21 21 ARG CB C 13 29.0 0.20 . 1 . . . . . . . . 6354 1 197 . 1 1 21 21 ARG CA C 13 56.1 0.20 . 1 . . . . . . . . 6354 1 198 . 1 1 21 21 ARG CG C 13 27.4 0.20 . 1 . . . . . . . . 6354 1 199 . 1 1 21 21 ARG CD C 13 43.3 0.20 . 1 . . . . . . . . 6354 1 200 . 1 1 21 21 ARG C C 13 176.4 0.20 . 1 . . . . . . . . 6354 1 201 . 1 1 21 21 ARG HA H 1 4.43 0.01 . 1 . . . . . . . . 6354 1 202 . 1 1 21 21 ARG HB2 H 1 2.03 0.01 . 2 . . . . . . . . 6354 1 203 . 1 1 21 21 ARG HG2 H 1 1.51 0.01 . 2 . . . . . . . . 6354 1 204 . 1 1 21 21 ARG HD2 H 1 3.14 0.01 . 2 . . . . . . . . 6354 1 205 . 1 1 22 22 ILE N N 15 119.8 0.25 . 1 . . . . . . . . 6354 1 206 . 1 1 22 22 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 6354 1 207 . 1 1 22 22 ILE CB C 13 38.4 0.20 . 1 . . . . . . . . 6354 1 208 . 1 1 22 22 ILE CA C 13 58.5 0.20 . 1 . . . . . . . . 6354 1 209 . 1 1 22 22 ILE C C 13 173.7 0.20 . 1 . . . . . . . . 6354 1 210 . 1 1 22 22 ILE HA H 1 4.36 0.01 . 1 . . . . . . . . 6354 1 211 . 1 1 22 22 ILE HG21 H 1 0.29 0.01 . 1 . . . . . . . . 6354 1 212 . 1 1 22 22 ILE HG22 H 1 0.29 0.01 . 1 . . . . . . . . 6354 1 213 . 1 1 22 22 ILE HG23 H 1 0.29 0.01 . 1 . . . . . . . . 6354 1 214 . 1 1 22 22 ILE HD11 H 1 -0.30 0.01 . 1 . . . . . . . . 6354 1 215 . 1 1 22 22 ILE HD12 H 1 -0.30 0.01 . 1 . . . . . . . . 6354 1 216 . 1 1 22 22 ILE HD13 H 1 -0.30 0.01 . 1 . . . . . . . . 6354 1 217 . 1 1 24 24 PRO CB C 13 31.7 0.20 . 1 . . . . . . . . 6354 1 218 . 1 1 24 24 PRO CA C 13 62.7 0.20 . 1 . . . . . . . . 6354 1 219 . 1 1 24 24 PRO CG C 13 27.5 0.20 . 1 . . . . . . . . 6354 1 220 . 1 1 24 24 PRO CD C 13 50.1 0.20 . 1 . . . . . . . . 6354 1 221 . 1 1 24 24 PRO C C 13 176.6 0.20 . 1 . . . . . . . . 6354 1 222 . 1 1 24 24 PRO HA H 1 4.43 0.01 . 1 . . . . . . . . 6354 1 223 . 1 1 24 24 PRO HB2 H 1 2.31 0.01 . 2 . . . . . . . . 6354 1 224 . 1 1 24 24 PRO HB3 H 1 2.03 0.01 . 2 . . . . . . . . 6354 1 225 . 1 1 24 24 PRO HD2 H 1 3.81 0.01 . 2 . . . . . . . . 6354 1 226 . 1 1 24 24 PRO HD3 H 1 3.60 0.01 . 2 . . . . . . . . 6354 1 227 . 1 1 25 25 ARG N N 15 122.0 0.25 . 1 . . . . . . . . 6354 1 228 . 1 1 25 25 ARG H H 1 8.15 0.01 . 1 . . . . . . . . 6354 1 229 . 1 1 25 25 ARG CB C 13 30.9 0.20 . 1 . . . . . . . . 6354 1 230 . 1 1 25 25 ARG CA C 13 56.3 0.20 . 1 . . . . . . . . 6354 1 231 . 1 1 25 25 ARG C C 13 176.0 0.20 . 1 . . . . . . . . 6354 1 232 . 1 1 25 25 ARG HA H 1 4.04 0.01 . 1 . . . . . . . . 6354 1 233 . 1 1 25 25 ARG HB2 H 1 1.79 0.01 . 2 . . . . . . . . 6354 1 234 . 1 1 25 25 ARG HG2 H 1 1.53 0.01 . 2 . . . . . . . . 6354 1 235 . 1 1 28 28 ASN CB C 13 37.7 0.20 . 1 . . . . . . . . 6354 1 236 . 1 1 28 28 ASN CA C 13 53.3 0.20 . 1 . . . . . . . . 6354 1 237 . 1 1 28 28 ASN C C 13 174.7 0.20 . 1 . . . . . . . . 6354 1 238 . 1 1 28 28 ASN HA H 1 4.48 0.01 . 1 . . . . . . . . 6354 1 239 . 1 1 28 28 ASN HB2 H 1 2.75 0.01 . 2 . . . . . . . . 6354 1 240 . 1 1 29 29 ARG N N 15 118.3 0.25 . 1 . . . . . . . . 6354 1 241 . 1 1 29 29 ARG H H 1 7.68 0.01 . 1 . . . . . . . . 6354 1 242 . 1 1 29 29 ARG CB C 13 31.0 0.20 . 1 . . . . . . . . 6354 1 243 . 1 1 29 29 ARG CA C 13 55.8 0.20 . 1 . . . . . . . . 6354 1 244 . 1 1 29 29 ARG CG C 13 26.7 0.20 . 1 . . . . . . . . 6354 1 245 . 1 1 29 29 ARG CD C 13 43.2 0.20 . 1 . . . . . . . . 6354 1 246 . 1 1 29 29 ARG C C 13 175.9 0.20 . 1 . . . . . . . . 6354 1 247 . 1 1 29 29 ARG HA H 1 4.27 0.01 . 1 . . . . . . . . 6354 1 248 . 1 1 29 29 ARG HB2 H 1 1.77 0.01 . 2 . . . . . . . . 6354 1 249 . 1 1 29 29 ARG HG2 H 1 1.54 0.01 . 2 . . . . . . . . 6354 1 250 . 1 1 29 29 ARG HD2 H 1 3.08 0.01 . 2 . . . . . . . . 6354 1 251 . 1 1 30 30 GLY N N 15 107.8 0.25 . 1 . . . . . . . . 6354 1 252 . 1 1 30 30 GLY H H 1 8.10 0.01 . 1 . . . . . . . . 6354 1 253 . 1 1 30 30 GLY CA C 13 44.4 0.20 . 1 . . . . . . . . 6354 1 254 . 1 1 30 30 GLY C C 13 173.7 0.20 . 1 . . . . . . . . 6354 1 255 . 1 1 30 30 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 6354 1 256 . 1 1 31 31 TYR N N 15 119.8 0.25 . 1 . . . . . . . . 6354 1 257 . 1 1 31 31 TYR H H 1 8.84 0.01 . 1 . . . . . . . . 6354 1 258 . 1 1 31 31 TYR CB C 13 41.3 0.20 . 1 . . . . . . . . 6354 1 259 . 1 1 31 31 TYR CA C 13 59.0 0.20 . 1 . . . . . . . . 6354 1 260 . 1 1 31 31 TYR C C 13 175.0 0.20 . 1 . . . . . . . . 6354 1 261 . 1 1 31 31 TYR HA H 1 4.50 0.01 . 1 . . . . . . . . 6354 1 262 . 1 1 31 31 TYR HB2 H 1 2.93 0.01 . 2 . . . . . . . . 6354 1 263 . 1 1 31 31 TYR HD1 H 1 7.34 0.01 . 3 . . . . . . . . 6354 1 264 . 1 1 32 32 ARG N N 15 121.4 0.25 . 1 . . . . . . . . 6354 1 265 . 1 1 32 32 ARG H H 1 8.36 0.01 . 1 . . . . . . . . 6354 1 266 . 1 1 32 32 ARG CB C 13 31.9 0.20 . 1 . . . . . . . . 6354 1 267 . 1 1 32 32 ARG CA C 13 54.8 0.20 . 1 . . . . . . . . 6354 1 268 . 1 1 32 32 ARG CG C 13 26.8 0.20 . 1 . . . . . . . . 6354 1 269 . 1 1 32 32 ARG CD C 13 43.6 0.20 . 1 . . . . . . . . 6354 1 270 . 1 1 32 32 ARG C C 13 175.3 0.20 . 1 . . . . . . . . 6354 1 271 . 1 1 32 32 ARG HA H 1 4.34 0.01 . 1 . . . . . . . . 6354 1 272 . 1 1 32 32 ARG HB2 H 1 2.17 0.01 . 2 . . . . . . . . 6354 1 273 . 1 1 32 32 ARG HG2 H 1 1.29 0.01 . 2 . . . . . . . . 6354 1 274 . 1 1 32 32 ARG HD2 H 1 2.94 0.01 . 2 . . . . . . . . 6354 1 275 . 1 1 33 33 ALA N N 15 131.7 0.25 . 1 . . . . . . . . 6354 1 276 . 1 1 33 33 ALA H H 1 10.45 0.01 . 1 . . . . . . . . 6354 1 277 . 1 1 33 33 ALA CB C 13 16.4 0.20 . 1 . . . . . . . . 6354 1 278 . 1 1 33 33 ALA CA C 13 53.1 0.20 . 1 . . . . . . . . 6354 1 279 . 1 1 33 33 ALA C C 13 179.1 0.20 . 1 . . . . . . . . 6354 1 280 . 1 1 33 33 ALA HA H 1 1.53 0.01 . 1 . . . . . . . . 6354 1 281 . 1 1 33 33 ALA HB1 H 1 -0.04 0.01 . 1 . . . . . . . . 6354 1 282 . 1 1 33 33 ALA HB2 H 1 -0.04 0.01 . 1 . . . . . . . . 6354 1 283 . 1 1 33 33 ALA HB3 H 1 -0.04 0.01 . 1 . . . . . . . . 6354 1 284 . 1 1 34 34 SER N N 15 109.4 0.25 . 1 . . . . . . . . 6354 1 285 . 1 1 34 34 SER H H 1 8.54 0.01 . 1 . . . . . . . . 6354 1 286 . 1 1 34 34 SER CB C 13 62.6 0.20 . 1 . . . . . . . . 6354 1 287 . 1 1 34 34 SER CA C 13 60.3 0.20 . 1 . . . . . . . . 6354 1 288 . 1 1 34 34 SER C C 13 175.3 0.20 . 1 . . . . . . . . 6354 1 289 . 1 1 34 34 SER HA H 1 3.79 0.01 . 1 . . . . . . . . 6354 1 290 . 1 1 34 34 SER HB2 H 1 3.65 0.01 . 2 . . . . . . . . 6354 1 291 . 1 1 35 35 ASP N N 15 119.2 0.25 . 1 . . . . . . . . 6354 1 292 . 1 1 35 35 ASP H H 1 7.11 0.01 . 1 . . . . . . . . 6354 1 293 . 1 1 35 35 ASP CB C 13 40.6 0.20 . 1 . . . . . . . . 6354 1 294 . 1 1 35 35 ASP CA C 13 55.1 0.20 . 1 . . . . . . . . 6354 1 295 . 1 1 35 35 ASP C C 13 176.2 0.20 . 1 . . . . . . . . 6354 1 296 . 1 1 35 35 ASP HA H 1 4.61 0.01 . 1 . . . . . . . . 6354 1 297 . 1 1 35 35 ASP HB2 H 1 2.92 0.01 . 2 . . . . . . . . 6354 1 298 . 1 1 36 36 TRP N N 15 123.7 0.25 . 1 . . . . . . . . 6354 1 299 . 1 1 36 36 TRP H H 1 7.90 0.01 . 1 . . . . . . . . 6354 1 300 . 1 1 36 36 TRP NE1 N 15 126.4 0.25 . 1 . . . . . . . . 6354 1 301 . 1 1 36 36 TRP HE1 H 1 9.68 0.01 . 1 . . . . . . . . 6354 1 302 . 1 1 36 36 TRP CB C 13 29.0 0.20 . 1 . . . . . . . . 6354 1 303 . 1 1 36 36 TRP CA C 13 53.7 0.20 . 1 . . . . . . . . 6354 1 304 . 1 1 36 36 TRP C C 13 175.9 0.20 . 1 . . . . . . . . 6354 1 305 . 1 1 36 36 TRP HA H 1 4.84 0.01 . 1 . . . . . . . . 6354 1 306 . 1 1 36 36 TRP HB2 H 1 2.96 0.01 . 2 . . . . . . . . 6354 1 307 . 1 1 36 36 TRP HB3 H 1 2.80 0.01 . 2 . . . . . . . . 6354 1 308 . 1 1 36 36 TRP HD1 H 1 6.53 0.01 . 1 . . . . . . . . 6354 1 309 . 1 1 37 37 LYS N N 15 122.5 0.25 . 1 . . . . . . . . 6354 1 310 . 1 1 37 37 LYS H H 1 8.92 0.01 . 1 . . . . . . . . 6354 1 311 . 1 1 37 37 LYS CB C 13 28.8 0.20 . 1 . . . . . . . . 6354 1 312 . 1 1 37 37 LYS CA C 13 54.4 0.20 . 1 . . . . . . . . 6354 1 313 . 1 1 37 37 LYS CG C 13 24.4 0.20 . 1 . . . . . . . . 6354 1 314 . 1 1 37 37 LYS CE C 13 42.1 0.20 . 1 . . . . . . . . 6354 1 315 . 1 1 37 37 LYS C C 13 177.4 0.20 . 1 . . . . . . . . 6354 1 316 . 1 1 37 37 LYS HA H 1 4.57 0.01 . 1 . . . . . . . . 6354 1 317 . 1 1 37 37 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 6354 1 318 . 1 1 37 37 LYS HG2 H 1 1.54 0.01 . 2 . . . . . . . . 6354 1 319 . 1 1 37 37 LYS HD2 H 1 1.72 0.01 . 2 . . . . . . . . 6354 1 320 . 1 1 37 37 LYS HE2 H 1 3.02 0.01 . 2 . . . . . . . . 6354 1 321 . 1 1 38 38 LEU N N 15 120.1 0.25 . 1 . . . . . . . . 6354 1 322 . 1 1 38 38 LEU H H 1 7.49 0.01 . 1 . . . . . . . . 6354 1 323 . 1 1 38 38 LEU CB C 13 41.4 0.20 . 1 . . . . . . . . 6354 1 324 . 1 1 38 38 LEU CA C 13 57.4 0.20 . 1 . . . . . . . . 6354 1 325 . 1 1 38 38 LEU CG C 13 25.9 0.20 . 1 . . . . . . . . 6354 1 326 . 1 1 38 38 LEU CD1 C 13 24.5 0.20 . 2 . . . . . . . . 6354 1 327 . 1 1 38 38 LEU CD2 C 13 22.3 0.20 . 2 . . . . . . . . 6354 1 328 . 1 1 38 38 LEU C C 13 178.6 0.20 . 1 . . . . . . . . 6354 1 329 . 1 1 38 38 LEU HA H 1 3.95 0.01 . 1 . . . . . . . . 6354 1 330 . 1 1 38 38 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 6354 1 331 . 1 1 38 38 LEU HG H 1 1.30 0.01 . 1 . . . . . . . . 6354 1 332 . 1 1 38 38 LEU HD11 H 1 0.35 0.01 . 2 . . . . . . . . 6354 1 333 . 1 1 38 38 LEU HD12 H 1 0.35 0.01 . 2 . . . . . . . . 6354 1 334 . 1 1 38 38 LEU HD13 H 1 0.35 0.01 . 2 . . . . . . . . 6354 1 335 . 1 1 38 38 LEU HD21 H 1 -0.01 0.01 . 2 . . . . . . . . 6354 1 336 . 1 1 38 38 LEU HD22 H 1 -0.01 0.01 . 2 . . . . . . . . 6354 1 337 . 1 1 38 38 LEU HD23 H 1 -0.01 0.01 . 2 . . . . . . . . 6354 1 338 . 1 1 39 39 ASP N N 15 114.8 0.25 . 1 . . . . . . . . 6354 1 339 . 1 1 39 39 ASP H H 1 8.79 0.01 . 1 . . . . . . . . 6354 1 340 . 1 1 39 39 ASP CB C 13 40.0 0.20 . 1 . . . . . . . . 6354 1 341 . 1 1 39 39 ASP CA C 13 53.8 0.20 . 1 . . . . . . . . 6354 1 342 . 1 1 39 39 ASP C C 13 175.5 0.20 . 1 . . . . . . . . 6354 1 343 . 1 1 39 39 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . 6354 1 344 . 1 1 39 39 ASP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 6354 1 345 . 1 1 40 40 GLN N N 15 119.0 0.25 . 1 . . . . . . . . 6354 1 346 . 1 1 40 40 GLN H H 1 7.99 0.01 . 1 . . . . . . . . 6354 1 347 . 1 1 40 40 GLN CB C 13 29.8 0.20 . 1 . . . . . . . . 6354 1 348 . 1 1 40 40 GLN CA C 13 52.9 0.20 . 1 . . . . . . . . 6354 1 349 . 1 1 40 40 GLN C C 13 171.8 0.20 . 1 . . . . . . . . 6354 1 350 . 1 1 40 40 GLN HA H 1 4.82 0.01 . 1 . . . . . . . . 6354 1 351 . 1 1 40 40 GLN HB2 H 1 1.85 0.01 . 2 . . . . . . . . 6354 1 352 . 1 1 40 40 GLN HG2 H 1 2.13 0.01 . 2 . . . . . . . . 6354 1 353 . 1 1 41 41 PRO CB C 13 31.5 0.20 . 1 . . . . . . . . 6354 1 354 . 1 1 41 41 PRO CA C 13 63.5 0.20 . 1 . . . . . . . . 6354 1 355 . 1 1 41 41 PRO CG C 13 26.8 0.20 . 1 . . . . . . . . 6354 1 356 . 1 1 41 41 PRO CD C 13 50.1 0.20 . 1 . . . . . . . . 6354 1 357 . 1 1 41 41 PRO C C 13 176.7 0.20 . 1 . . . . . . . . 6354 1 358 . 1 1 41 41 PRO HB2 H 1 1.85 0.01 . 2 . . . . . . . . 6354 1 359 . 1 1 41 41 PRO HG2 H 1 1.61 0.01 . 2 . . . . . . . . 6354 1 360 . 1 1 41 41 PRO HD2 H 1 3.50 0.01 . 2 . . . . . . . . 6354 1 361 . 1 1 42 42 ASP N N 15 122.7 0.25 . 1 . . . . . . . . 6354 1 362 . 1 1 42 42 ASP H H 1 8.59 0.01 . 1 . . . . . . . . 6354 1 363 . 1 1 42 42 ASP CB C 13 43.1 0.20 . 1 . . . . . . . . 6354 1 364 . 1 1 42 42 ASP CA C 13 56.8 0.20 . 1 . . . . . . . . 6354 1 365 . 1 1 42 42 ASP C C 13 175.6 0.20 . 1 . . . . . . . . 6354 1 366 . 1 1 42 42 ASP HA H 1 4.45 0.01 . 1 . . . . . . . . 6354 1 367 . 1 1 42 42 ASP HB2 H 1 2.64 0.01 . 2 . . . . . . . . 6354 1 368 . 1 1 42 42 ASP HB3 H 1 2.21 0.01 . 2 . . . . . . . . 6354 1 369 . 1 1 43 43 TRP N N 15 117.8 0.25 . 1 . . . . . . . . 6354 1 370 . 1 1 43 43 TRP H H 1 7.65 0.01 . 1 . . . . . . . . 6354 1 371 . 1 1 43 43 TRP NE1 N 15 129.6 0.25 . 1 . . . . . . . . 6354 1 372 . 1 1 43 43 TRP HE1 H 1 10.11 0.01 . 1 . . . . . . . . 6354 1 373 . 1 1 43 43 TRP CB C 13 30.7 0.20 . 1 . . . . . . . . 6354 1 374 . 1 1 43 43 TRP CA C 13 58.1 0.20 . 1 . . . . . . . . 6354 1 375 . 1 1 43 43 TRP C C 13 173.2 0.20 . 1 . . . . . . . . 6354 1 376 . 1 1 43 43 TRP HA H 1 4.29 0.01 . 1 . . . . . . . . 6354 1 377 . 1 1 43 43 TRP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 6354 1 378 . 1 1 43 43 TRP HB3 H 1 2.02 0.01 . 2 . . . . . . . . 6354 1 379 . 1 1 43 43 TRP HD1 H 1 6.82 0.01 . 1 . . . . . . . . 6354 1 380 . 1 1 44 44 THR N N 15 117.1 0.25 . 1 . . . . . . . . 6354 1 381 . 1 1 44 44 THR H H 1 6.62 0.01 . 1 . . . . . . . . 6354 1 382 . 1 1 44 44 THR CB C 13 71.8 0.20 . 1 . . . . . . . . 6354 1 383 . 1 1 44 44 THR CA C 13 60.1 0.20 . 1 . . . . . . . . 6354 1 384 . 1 1 44 44 THR CG2 C 13 21.2 0.20 . 1 . . . . . . . . 6354 1 385 . 1 1 44 44 THR C C 13 171.5 0.20 . 1 . . . . . . . . 6354 1 386 . 1 1 44 44 THR HA H 1 4.66 0.01 . 1 . . . . . . . . 6354 1 387 . 1 1 44 44 THR HB H 1 3.75 0.01 . 1 . . . . . . . . 6354 1 388 . 1 1 44 44 THR HG21 H 1 0.92 0.01 . 1 . . . . . . . . 6354 1 389 . 1 1 44 44 THR HG22 H 1 0.92 0.01 . 1 . . . . . . . . 6354 1 390 . 1 1 44 44 THR HG23 H 1 0.92 0.01 . 1 . . . . . . . . 6354 1 391 . 1 1 45 45 GLY N N 15 109.8 0.25 . 1 . . . . . . . . 6354 1 392 . 1 1 45 45 GLY H H 1 7.55 0.01 . 1 . . . . . . . . 6354 1 393 . 1 1 45 45 GLY CA C 13 46.9 0.20 . 1 . . . . . . . . 6354 1 394 . 1 1 45 45 GLY C C 13 170.0 0.20 . 1 . . . . . . . . 6354 1 395 . 1 1 45 45 GLY HA2 H 1 3.47 0.01 . 2 . . . . . . . . 6354 1 396 . 1 1 46 46 ARG N N 15 121.4 0.25 . 1 . . . . . . . . 6354 1 397 . 1 1 46 46 ARG H H 1 8.94 0.01 . 1 . . . . . . . . 6354 1 398 . 1 1 46 46 ARG CB C 13 33.0 0.20 . 1 . . . . . . . . 6354 1 399 . 1 1 46 46 ARG CA C 13 54.3 0.20 . 1 . . . . . . . . 6354 1 400 . 1 1 46 46 ARG CG C 13 27.0 0.20 . 1 . . . . . . . . 6354 1 401 . 1 1 46 46 ARG CD C 13 44.1 0.20 . 1 . . . . . . . . 6354 1 402 . 1 1 46 46 ARG C C 13 173.5 0.20 . 1 . . . . . . . . 6354 1 403 . 1 1 46 46 ARG HA H 1 4.80 0.01 . 1 . . . . . . . . 6354 1 404 . 1 1 46 46 ARG HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6354 1 405 . 1 1 46 46 ARG HG2 H 1 1.54 0.01 . 2 . . . . . . . . 6354 1 406 . 1 1 46 46 ARG HD2 H 1 3.18 0.01 . 2 . . . . . . . . 6354 1 407 . 1 1 46 46 ARG HD3 H 1 2.99 0.01 . 2 . . . . . . . . 6354 1 408 . 1 1 47 47 LEU N N 15 123.5 0.25 . 1 . . . . . . . . 6354 1 409 . 1 1 47 47 LEU H H 1 8.84 0.01 . 1 . . . . . . . . 6354 1 410 . 1 1 47 47 LEU CB C 13 46.7 0.20 . 1 . . . . . . . . 6354 1 411 . 1 1 47 47 LEU CA C 13 53.4 0.20 . 1 . . . . . . . . 6354 1 412 . 1 1 47 47 LEU CG C 13 27.6 0.20 . 1 . . . . . . . . 6354 1 413 . 1 1 47 47 LEU CD1 C 13 25.9 0.20 . 2 . . . . . . . . 6354 1 414 . 1 1 47 47 LEU C C 13 175.1 0.20 . 1 . . . . . . . . 6354 1 415 . 1 1 47 47 LEU HA H 1 5.62 0.01 . 1 . . . . . . . . 6354 1 416 . 1 1 47 47 LEU HB2 H 1 1.66 0.01 . 2 . . . . . . . . 6354 1 417 . 1 1 47 47 LEU HD11 H 1 0.85 0.01 . 2 . . . . . . . . 6354 1 418 . 1 1 47 47 LEU HD12 H 1 0.85 0.01 . 2 . . . . . . . . 6354 1 419 . 1 1 47 47 LEU HD13 H 1 0.85 0.01 . 2 . . . . . . . . 6354 1 420 . 1 1 48 48 ARG N N 15 124.3 0.25 . 1 . . . . . . . . 6354 1 421 . 1 1 48 48 ARG H H 1 9.46 0.01 . 1 . . . . . . . . 6354 1 422 . 1 1 48 48 ARG CB C 13 35.0 0.20 . 1 . . . . . . . . 6354 1 423 . 1 1 48 48 ARG CA C 13 55.0 0.20 . 1 . . . . . . . . 6354 1 424 . 1 1 48 48 ARG CG C 13 28.4 0.20 . 1 . . . . . . . . 6354 1 425 . 1 1 48 48 ARG CD C 13 44.1 0.20 . 1 . . . . . . . . 6354 1 426 . 1 1 48 48 ARG C C 13 174.8 0.20 . 1 . . . . . . . . 6354 1 427 . 1 1 48 48 ARG HA H 1 5.43 0.01 . 1 . . . . . . . . 6354 1 428 . 1 1 48 48 ARG HB2 H 1 1.90 0.01 . 2 . . . . . . . . 6354 1 429 . 1 1 48 48 ARG HG2 H 1 1.60 0.01 . 2 . . . . . . . . 6354 1 430 . 1 1 48 48 ARG HD2 H 1 3.14 0.01 . 2 . . . . . . . . 6354 1 431 . 1 1 49 49 ILE N N 15 121.4 0.25 . 1 . . . . . . . . 6354 1 432 . 1 1 49 49 ILE H H 1 8.89 0.01 . 1 . . . . . . . . 6354 1 433 . 1 1 49 49 ILE CB C 13 39.1 0.20 . 1 . . . . . . . . 6354 1 434 . 1 1 49 49 ILE CA C 13 59.5 0.20 . 1 . . . . . . . . 6354 1 435 . 1 1 49 49 ILE CG2 C 13 17.5 0.20 . 2 . . . . . . . . 6354 1 436 . 1 1 49 49 ILE CD1 C 13 13.4 0.20 . 1 . . . . . . . . 6354 1 437 . 1 1 49 49 ILE C C 13 176.2 0.20 . 1 . . . . . . . . 6354 1 438 . 1 1 49 49 ILE HA H 1 5.52 0.01 . 1 . . . . . . . . 6354 1 439 . 1 1 49 49 ILE HD11 H 1 0.62 0.01 . 1 . . . . . . . . 6354 1 440 . 1 1 49 49 ILE HD12 H 1 0.62 0.01 . 1 . . . . . . . . 6354 1 441 . 1 1 49 49 ILE HD13 H 1 0.62 0.01 . 1 . . . . . . . . 6354 1 442 . 1 1 50 50 THR N N 15 119.6 0.25 . 1 . . . . . . . . 6354 1 443 . 1 1 50 50 THR H H 1 9.28 0.01 . 1 . . . . . . . . 6354 1 444 . 1 1 50 50 THR CB C 13 70.8 0.20 . 1 . . . . . . . . 6354 1 445 . 1 1 50 50 THR CA C 13 59.1 0.20 . 1 . . . . . . . . 6354 1 446 . 1 1 50 50 THR CG2 C 13 22.1 0.20 . 1 . . . . . . . . 6354 1 447 . 1 1 50 50 THR C C 13 173.3 0.20 . 1 . . . . . . . . 6354 1 448 . 1 1 50 50 THR HA H 1 5.37 0.01 . 1 . . . . . . . . 6354 1 449 . 1 1 50 50 THR HB H 1 4.29 0.01 . 1 . . . . . . . . 6354 1 450 . 1 1 50 50 THR HG21 H 1 0.89 0.01 . 1 . . . . . . . . 6354 1 451 . 1 1 50 50 THR HG22 H 1 0.89 0.01 . 1 . . . . . . . . 6354 1 452 . 1 1 50 50 THR HG23 H 1 0.89 0.01 . 1 . . . . . . . . 6354 1 453 . 1 1 51 51 SER N N 15 111.5 0.25 . 1 . . . . . . . . 6354 1 454 . 1 1 51 51 SER H H 1 8.93 0.01 . 1 . . . . . . . . 6354 1 455 . 1 1 51 51 SER CB C 13 66.1 0.20 . 1 . . . . . . . . 6354 1 456 . 1 1 51 51 SER CA C 13 56.9 0.20 . 1 . . . . . . . . 6354 1 457 . 1 1 51 51 SER C C 13 173.8 0.20 . 1 . . . . . . . . 6354 1 458 . 1 1 51 51 SER HA H 1 5.16 0.01 . 1 . . . . . . . . 6354 1 459 . 1 1 51 51 SER HB2 H 1 3.60 0.01 . 2 . . . . . . . . 6354 1 460 . 1 1 51 51 SER HB3 H 1 3.28 0.01 . 2 . . . . . . . . 6354 1 461 . 1 1 52 52 LYS N N 15 123.0 0.25 . 1 . . . . . . . . 6354 1 462 . 1 1 52 52 LYS H H 1 8.54 0.01 . 1 . . . . . . . . 6354 1 463 . 1 1 52 52 LYS CB C 13 34.5 0.20 . 1 . . . . . . . . 6354 1 464 . 1 1 52 52 LYS CA C 13 56.3 0.20 . 1 . . . . . . . . 6354 1 465 . 1 1 52 52 LYS CG C 13 25.1 0.20 . 1 . . . . . . . . 6354 1 466 . 1 1 52 52 LYS CD C 13 29.5 0.20 . 1 . . . . . . . . 6354 1 467 . 1 1 52 52 LYS CE C 13 41.9 0.20 . 1 . . . . . . . . 6354 1 468 . 1 1 52 52 LYS C C 13 176.4 0.20 . 1 . . . . . . . . 6354 1 469 . 1 1 52 52 LYS HA H 1 4.62 0.01 . 1 . . . . . . . . 6354 1 470 . 1 1 52 52 LYS HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6354 1 471 . 1 1 52 52 LYS HG2 H 1 1.32 0.01 . 2 . . . . . . . . 6354 1 472 . 1 1 52 52 LYS HD2 H 1 1.56 0.01 . 2 . . . . . . . . 6354 1 473 . 1 1 52 52 LYS HE2 H 1 2.79 0.01 . 2 . . . . . . . . 6354 1 474 . 1 1 53 53 GLY N N 15 116.8 0.25 . 1 . . . . . . . . 6354 1 475 . 1 1 53 53 GLY H H 1 9.11 0.01 . 1 . . . . . . . . 6354 1 476 . 1 1 53 53 GLY CA C 13 46.8 0.20 . 1 . . . . . . . . 6354 1 477 . 1 1 53 53 GLY C C 13 174.9 0.20 . 1 . . . . . . . . 6354 1 478 . 1 1 53 53 GLY HA2 H 1 4.05 0.01 . 2 . . . . . . . . 6354 1 479 . 1 1 53 53 GLY HA3 H 1 3.73 0.01 . 2 . . . . . . . . 6354 1 480 . 1 1 54 54 LYS N N 15 123.3 0.25 . 1 . . . . . . . . 6354 1 481 . 1 1 54 54 LYS H H 1 8.94 0.01 . 1 . . . . . . . . 6354 1 482 . 1 1 54 54 LYS CB C 13 32.3 0.20 . 1 . . . . . . . . 6354 1 483 . 1 1 54 54 LYS CA C 13 57.3 0.20 . 1 . . . . . . . . 6354 1 484 . 1 1 54 54 LYS CG C 13 25.2 0.20 . 1 . . . . . . . . 6354 1 485 . 1 1 54 54 LYS CD C 13 29.2 0.20 . 1 . . . . . . . . 6354 1 486 . 1 1 54 54 LYS CE C 13 42.0 0.20 . 1 . . . . . . . . 6354 1 487 . 1 1 54 54 LYS C C 13 176.4 0.20 . 1 . . . . . . . . 6354 1 488 . 1 1 54 54 LYS HA H 1 4.18 0.01 . 1 . . . . . . . . 6354 1 489 . 1 1 54 54 LYS HB2 H 1 1.77 0.01 . 2 . . . . . . . . 6354 1 490 . 1 1 54 54 LYS HG2 H 1 1.35 0.01 . 2 . . . . . . . . 6354 1 491 . 1 1 54 54 LYS HD2 H 1 1.60 0.01 . 2 . . . . . . . . 6354 1 492 . 1 1 54 54 LYS HE2 H 1 2.90 0.01 . 2 . . . . . . . . 6354 1 493 . 1 1 55 55 ILE N N 15 121.1 0.25 . 1 . . . . . . . . 6354 1 494 . 1 1 55 55 ILE H H 1 7.70 0.01 . 1 . . . . . . . . 6354 1 495 . 1 1 55 55 ILE CB C 13 39.0 0.20 . 1 . . . . . . . . 6354 1 496 . 1 1 55 55 ILE CA C 13 61.0 0.20 . 1 . . . . . . . . 6354 1 497 . 1 1 55 55 ILE CG2 C 13 16.6 0.20 . 2 . . . . . . . . 6354 1 498 . 1 1 55 55 ILE CD1 C 13 12.2 0.20 . 1 . . . . . . . . 6354 1 499 . 1 1 55 55 ILE C C 13 173.9 0.20 . 1 . . . . . . . . 6354 1 500 . 1 1 55 55 ILE HA H 1 4.29 0.01 . 1 . . . . . . . . 6354 1 501 . 1 1 55 55 ILE HB H 1 1.83 0.01 . 1 . . . . . . . . 6354 1 502 . 1 1 55 55 ILE HG12 H 1 1.54 0.01 . 2 . . . . . . . . 6354 1 503 . 1 1 55 55 ILE HG21 H 1 0.82 0.01 . 1 . . . . . . . . 6354 1 504 . 1 1 55 55 ILE HG22 H 1 0.82 0.01 . 1 . . . . . . . . 6354 1 505 . 1 1 55 55 ILE HG23 H 1 0.82 0.01 . 1 . . . . . . . . 6354 1 506 . 1 1 55 55 ILE HD11 H 1 0.36 0.01 . 1 . . . . . . . . 6354 1 507 . 1 1 55 55 ILE HD12 H 1 0.36 0.01 . 1 . . . . . . . . 6354 1 508 . 1 1 55 55 ILE HD13 H 1 0.36 0.01 . 1 . . . . . . . . 6354 1 509 . 1 1 56 56 ALA N N 15 125.8 0.25 . 1 . . . . . . . . 6354 1 510 . 1 1 56 56 ALA H H 1 7.77 0.01 . 1 . . . . . . . . 6354 1 511 . 1 1 56 56 ALA CB C 13 19.9 0.20 . 1 . . . . . . . . 6354 1 512 . 1 1 56 56 ALA CA C 13 49.1 0.20 . 1 . . . . . . . . 6354 1 513 . 1 1 56 56 ALA C C 13 174.6 0.20 . 1 . . . . . . . . 6354 1 514 . 1 1 56 56 ALA HA H 1 4.96 0.01 . 1 . . . . . . . . 6354 1 515 . 1 1 56 56 ALA HB1 H 1 0.66 0.01 . 1 . . . . . . . . 6354 1 516 . 1 1 56 56 ALA HB2 H 1 0.66 0.01 . 1 . . . . . . . . 6354 1 517 . 1 1 56 56 ALA HB3 H 1 0.66 0.01 . 1 . . . . . . . . 6354 1 518 . 1 1 57 57 TYR N N 15 117.3 0.25 . 1 . . . . . . . . 6354 1 519 . 1 1 57 57 TYR H H 1 9.20 0.01 . 1 . . . . . . . . 6354 1 520 . 1 1 57 57 TYR CB C 13 40.4 0.20 . 1 . . . . . . . . 6354 1 521 . 1 1 57 57 TYR CA C 13 56.9 0.20 . 1 . . . . . . . . 6354 1 522 . 1 1 57 57 TYR C C 13 174.8 0.20 . 1 . . . . . . . . 6354 1 523 . 1 1 57 57 TYR HA H 1 4.84 0.01 . 1 . . . . . . . . 6354 1 524 . 1 1 57 57 TYR HB2 H 1 3.03 0.01 . 2 . . . . . . . . 6354 1 525 . 1 1 57 57 TYR HB3 H 1 2.26 0.01 . 2 . . . . . . . . 6354 1 526 . 1 1 57 57 TYR HD1 H 1 6.63 0.01 . 3 . . . . . . . . 6354 1 527 . 1 1 58 58 ILE N N 15 121.8 0.25 . 1 . . . . . . . . 6354 1 528 . 1 1 58 58 ILE H H 1 8.57 0.01 . 1 . . . . . . . . 6354 1 529 . 1 1 58 58 ILE CB C 13 38.4 0.20 . 1 . . . . . . . . 6354 1 530 . 1 1 58 58 ILE CA C 13 61.0 0.20 . 1 . . . . . . . . 6354 1 531 . 1 1 58 58 ILE CG2 C 13 17.5 0.20 . 2 . . . . . . . . 6354 1 532 . 1 1 58 58 ILE CD1 C 13 14.9 0.20 . 1 . . . . . . . . 6354 1 533 . 1 1 58 58 ILE C C 13 174.7 0.20 . 1 . . . . . . . . 6354 1 534 . 1 1 58 58 ILE HA H 1 4.38 0.01 . 1 . . . . . . . . 6354 1 535 . 1 1 58 58 ILE HB H 1 1.99 0.01 . 1 . . . . . . . . 6354 1 536 . 1 1 58 58 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 6354 1 537 . 1 1 58 58 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 6354 1 538 . 1 1 58 58 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 6354 1 539 . 1 1 59 59 LYS N N 15 126.8 0.25 . 1 . . . . . . . . 6354 1 540 . 1 1 59 59 LYS H H 1 9.60 0.01 . 1 . . . . . . . . 6354 1 541 . 1 1 59 59 LYS CB C 13 34.3 0.20 . 1 . . . . . . . . 6354 1 542 . 1 1 59 59 LYS CA C 13 56.1 0.20 . 1 . . . . . . . . 6354 1 543 . 1 1 59 59 LYS CG C 13 25.8 0.20 . 1 . . . . . . . . 6354 1 544 . 1 1 59 59 LYS CD C 13 29.9 0.20 . 1 . . . . . . . . 6354 1 545 . 1 1 59 59 LYS CE C 13 42.2 0.20 . 1 . . . . . . . . 6354 1 546 . 1 1 59 59 LYS C C 13 174.1 0.20 . 1 . . . . . . . . 6354 1 547 . 1 1 59 59 LYS HA H 1 4.68 0.01 . 1 . . . . . . . . 6354 1 548 . 1 1 59 59 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . 6354 1 549 . 1 1 59 59 LYS HG2 H 1 1.38 0.01 . 2 . . . . . . . . 6354 1 550 . 1 1 60 60 LEU N N 15 124.0 0.25 . 1 . . . . . . . . 6354 1 551 . 1 1 60 60 LEU H H 1 8.53 0.01 . 1 . . . . . . . . 6354 1 552 . 1 1 60 60 LEU CB C 13 41.0 0.20 . 1 . . . . . . . . 6354 1 553 . 1 1 60 60 LEU CA C 13 53.1 0.20 . 1 . . . . . . . . 6354 1 554 . 1 1 60 60 LEU CG C 13 26.1 0.20 . 1 . . . . . . . . 6354 1 555 . 1 1 60 60 LEU CD1 C 13 24.3 0.20 . 2 . . . . . . . . 6354 1 556 . 1 1 60 60 LEU C C 13 175.8 0.20 . 1 . . . . . . . . 6354 1 557 . 1 1 60 60 LEU HA H 1 5.36 0.01 . 1 . . . . . . . . 6354 1 558 . 1 1 60 60 LEU HB2 H 1 1.70 0.01 . 2 . . . . . . . . 6354 1 559 . 1 1 60 60 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 6354 1 560 . 1 1 60 60 LEU HD11 H 1 0.70 0.01 . 2 . . . . . . . . 6354 1 561 . 1 1 60 60 LEU HD12 H 1 0.70 0.01 . 2 . . . . . . . . 6354 1 562 . 1 1 60 60 LEU HD13 H 1 0.70 0.01 . 2 . . . . . . . . 6354 1 563 . 1 1 61 61 GLU N N 15 123.7 0.25 . 1 . . . . . . . . 6354 1 564 . 1 1 61 61 GLU H H 1 9.29 0.01 . 1 . . . . . . . . 6354 1 565 . 1 1 61 61 GLU CB C 13 29.4 0.20 . 1 . . . . . . . . 6354 1 566 . 1 1 61 61 GLU CA C 13 53.8 0.20 . 1 . . . . . . . . 6354 1 567 . 1 1 61 61 GLU CG C 13 36.2 0.20 . 1 . . . . . . . . 6354 1 568 . 1 1 61 61 GLU C C 13 174.6 0.20 . 1 . . . . . . . . 6354 1 569 . 1 1 61 61 GLU HA H 1 5.14 0.01 . 1 . . . . . . . . 6354 1 570 . 1 1 61 61 GLU HB2 H 1 2.01 0.01 . 2 . . . . . . . . 6354 1 571 . 1 1 62 62 ASP N N 15 122.4 0.25 . 1 . . . . . . . . 6354 1 572 . 1 1 62 62 ASP H H 1 8.91 0.01 . 1 . . . . . . . . 6354 1 573 . 1 1 62 62 ASP CB C 13 43.8 0.20 . 1 . . . . . . . . 6354 1 574 . 1 1 62 62 ASP CA C 13 55.2 0.20 . 1 . . . . . . . . 6354 1 575 . 1 1 62 62 ASP C C 13 178.2 0.20 . 1 . . . . . . . . 6354 1 576 . 1 1 62 62 ASP HA H 1 4.77 0.01 . 1 . . . . . . . . 6354 1 577 . 1 1 62 62 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 6354 1 578 . 1 1 62 62 ASP HB3 H 1 2.84 0.01 . 2 . . . . . . . . 6354 1 579 . 1 1 63 63 LYS N N 15 124.3 0.25 . 1 . . . . . . . . 6354 1 580 . 1 1 63 63 LYS H H 1 8.95 0.01 . 1 . . . . . . . . 6354 1 581 . 1 1 63 63 LYS CB C 13 33.0 0.20 . 1 . . . . . . . . 6354 1 582 . 1 1 63 63 LYS CA C 13 59.1 0.20 . 1 . . . . . . . . 6354 1 583 . 1 1 63 63 LYS CG C 13 25.2 0.20 . 1 . . . . . . . . 6354 1 584 . 1 1 63 63 LYS CD C 13 29.6 0.20 . 1 . . . . . . . . 6354 1 585 . 1 1 63 63 LYS CE C 13 41.7 0.20 . 1 . . . . . . . . 6354 1 586 . 1 1 63 63 LYS C C 13 176.4 0.20 . 1 . . . . . . . . 6354 1 587 . 1 1 63 63 LYS HA H 1 3.84 0.01 . 1 . . . . . . . . 6354 1 588 . 1 1 63 63 LYS HG2 H 1 1.55 0.01 . 2 . . . . . . . . 6354 1 589 . 1 1 63 63 LYS HD2 H 1 1.72 0.01 . 2 . . . . . . . . 6354 1 590 . 1 1 63 63 LYS HE2 H 1 2.84 0.01 . 2 . . . . . . . . 6354 1 591 . 1 1 64 64 VAL N N 15 118.9 0.25 . 1 . . . . . . . . 6354 1 592 . 1 1 64 64 VAL H H 1 8.53 0.01 . 1 . . . . . . . . 6354 1 593 . 1 1 64 64 VAL CB C 13 32.3 0.20 . 1 . . . . . . . . 6354 1 594 . 1 1 64 64 VAL CA C 13 64.6 0.20 . 1 . . . . . . . . 6354 1 595 . 1 1 64 64 VAL CG1 C 13 21.8 0.20 . 1 . . . . . . . . 6354 1 596 . 1 1 64 64 VAL CG2 C 13 20.7 0.20 . 1 . . . . . . . . 6354 1 597 . 1 1 64 64 VAL C C 13 177.8 0.20 . 1 . . . . . . . . 6354 1 598 . 1 1 64 64 VAL HA H 1 3.95 0.01 . 1 . . . . . . . . 6354 1 599 . 1 1 64 64 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . 6354 1 600 . 1 1 64 64 VAL HG11 H 1 0.90 0.01 . 2 . . . . . . . . 6354 1 601 . 1 1 64 64 VAL HG12 H 1 0.90 0.01 . 2 . . . . . . . . 6354 1 602 . 1 1 64 64 VAL HG13 H 1 0.90 0.01 . 2 . . . . . . . . 6354 1 603 . 1 1 65 65 SER N N 15 114.3 0.25 . 1 . . . . . . . . 6354 1 604 . 1 1 65 65 SER H H 1 9.06 0.01 . 1 . . . . . . . . 6354 1 605 . 1 1 65 65 SER CB C 13 65.4 0.20 . 1 . . . . . . . . 6354 1 606 . 1 1 65 65 SER CA C 13 58.6 0.20 . 1 . . . . . . . . 6354 1 607 . 1 1 65 65 SER C C 13 176.6 0.20 . 1 . . . . . . . . 6354 1 608 . 1 1 65 65 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 6354 1 609 . 1 1 65 65 SER HB2 H 1 4.07 0.01 . 2 . . . . . . . . 6354 1 610 . 1 1 65 65 SER HB3 H 1 3.86 0.01 . 2 . . . . . . . . 6354 1 611 . 1 1 66 66 GLY N N 15 110.9 0.25 . 1 . . . . . . . . 6354 1 612 . 1 1 66 66 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 6354 1 613 . 1 1 66 66 GLY CA C 13 45.8 0.20 . 1 . . . . . . . . 6354 1 614 . 1 1 66 66 GLY C C 13 173.2 0.20 . 1 . . . . . . . . 6354 1 615 . 1 1 66 66 GLY HA2 H 1 4.11 0.01 . 2 . . . . . . . . 6354 1 616 . 1 1 66 66 GLY HA3 H 1 3.75 0.01 . 2 . . . . . . . . 6354 1 617 . 1 1 67 67 GLU N N 15 119.6 0.25 . 1 . . . . . . . . 6354 1 618 . 1 1 67 67 GLU H H 1 7.84 0.01 . 1 . . . . . . . . 6354 1 619 . 1 1 67 67 GLU CB C 13 30.4 0.20 . 1 . . . . . . . . 6354 1 620 . 1 1 67 67 GLU CA C 13 56.8 0.20 . 1 . . . . . . . . 6354 1 621 . 1 1 67 67 GLU CG C 13 36.3 0.20 . 1 . . . . . . . . 6354 1 622 . 1 1 67 67 GLU C C 13 176.9 0.20 . 1 . . . . . . . . 6354 1 623 . 1 1 67 67 GLU HA H 1 4.02 0.01 . 1 . . . . . . . . 6354 1 624 . 1 1 67 67 GLU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6354 1 625 . 1 1 67 67 GLU HG2 H 1 2.18 0.01 . 2 . . . . . . . . 6354 1 626 . 1 1 68 68 LEU N N 15 126.7 0.25 . 1 . . . . . . . . 6354 1 627 . 1 1 68 68 LEU H H 1 8.68 0.01 . 1 . . . . . . . . 6354 1 628 . 1 1 68 68 LEU CB C 13 42.5 0.20 . 1 . . . . . . . . 6354 1 629 . 1 1 68 68 LEU CA C 13 56.4 0.20 . 1 . . . . . . . . 6354 1 630 . 1 1 68 68 LEU CG C 13 26.1 0.20 . 1 . . . . . . . . 6354 1 631 . 1 1 68 68 LEU CD1 C 13 24.0 0.20 . 2 . . . . . . . . 6354 1 632 . 1 1 68 68 LEU C C 13 175.9 0.20 . 1 . . . . . . . . 6354 1 633 . 1 1 68 68 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 6354 1 634 . 1 1 68 68 LEU HB2 H 1 1.57 0.01 . 2 . . . . . . . . 6354 1 635 . 1 1 68 68 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 6354 1 636 . 1 1 68 68 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 6354 1 637 . 1 1 68 68 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 6354 1 638 . 1 1 68 68 LEU HD21 H 1 0.72 0.01 . 2 . . . . . . . . 6354 1 639 . 1 1 68 68 LEU HD22 H 1 0.72 0.01 . 2 . . . . . . . . 6354 1 640 . 1 1 68 68 LEU HD23 H 1 0.72 0.01 . 2 . . . . . . . . 6354 1 641 . 1 1 69 69 PHE N N 15 131.2 0.25 . 1 . . . . . . . . 6354 1 642 . 1 1 69 69 PHE H H 1 9.59 0.01 . 1 . . . . . . . . 6354 1 643 . 1 1 69 69 PHE CB C 13 39.7 0.20 . 1 . . . . . . . . 6354 1 644 . 1 1 69 69 PHE CA C 13 58.9 0.20 . 1 . . . . . . . . 6354 1 645 . 1 1 69 69 PHE C C 13 175.2 0.20 . 1 . . . . . . . . 6354 1 646 . 1 1 69 69 PHE HA H 1 4.30 0.01 . 1 . . . . . . . . 6354 1 647 . 1 1 69 69 PHE HB2 H 1 2.76 0.01 . 2 . . . . . . . . 6354 1 648 . 1 1 69 69 PHE HB3 H 1 1.93 0.01 . 2 . . . . . . . . 6354 1 649 . 1 1 70 70 ALA N N 15 116.2 0.25 . 1 . . . . . . . . 6354 1 650 . 1 1 70 70 ALA H H 1 7.64 0.01 . 1 . . . . . . . . 6354 1 651 . 1 1 70 70 ALA CB C 13 22.4 0.20 . 1 . . . . . . . . 6354 1 652 . 1 1 70 70 ALA CA C 13 51.4 0.20 . 1 . . . . . . . . 6354 1 653 . 1 1 70 70 ALA C C 13 174.0 0.20 . 1 . . . . . . . . 6354 1 654 . 1 1 70 70 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 6354 1 655 . 1 1 70 70 ALA HB1 H 1 0.89 0.01 . 1 . . . . . . . . 6354 1 656 . 1 1 70 70 ALA HB2 H 1 0.89 0.01 . 1 . . . . . . . . 6354 1 657 . 1 1 70 70 ALA HB3 H 1 0.89 0.01 . 1 . . . . . . . . 6354 1 658 . 1 1 71 71 GLN N N 15 115.4 0.25 . 1 . . . . . . . . 6354 1 659 . 1 1 71 71 GLN H H 1 8.85 0.01 . 1 . . . . . . . . 6354 1 660 . 1 1 71 71 GLN CB C 13 33.5 0.20 . 1 . . . . . . . . 6354 1 661 . 1 1 71 71 GLN CA C 13 53.6 0.20 . 1 . . . . . . . . 6354 1 662 . 1 1 71 71 GLN C C 13 172.9 0.20 . 1 . . . . . . . . 6354 1 663 . 1 1 71 71 GLN HA H 1 5.62 0.01 . 1 . . . . . . . . 6354 1 664 . 1 1 71 71 GLN HB2 H 1 2.06 0.01 . 2 . . . . . . . . 6354 1 665 . 1 1 71 71 GLN HG2 H 1 2.26 0.01 . 2 . . . . . . . . 6354 1 666 . 1 1 72 72 ALA N N 15 124.9 0.25 . 1 . . . . . . . . 6354 1 667 . 1 1 72 72 ALA H H 1 9.21 0.01 . 1 . . . . . . . . 6354 1 668 . 1 1 72 72 ALA CB C 13 22.7 0.20 . 1 . . . . . . . . 6354 1 669 . 1 1 72 72 ALA CA C 13 48.1 0.20 . 1 . . . . . . . . 6354 1 670 . 1 1 72 72 ALA C C 13 174.6 0.20 . 1 . . . . . . . . 6354 1 671 . 1 1 72 72 ALA HA H 1 5.39 0.01 . 1 . . . . . . . . 6354 1 672 . 1 1 72 72 ALA HB1 H 1 1.23 0.01 . 1 . . . . . . . . 6354 1 673 . 1 1 72 72 ALA HB2 H 1 1.23 0.01 . 1 . . . . . . . . 6354 1 674 . 1 1 72 72 ALA HB3 H 1 1.23 0.01 . 1 . . . . . . . . 6354 1 675 . 1 1 73 73 PRO CB C 13 31.8 0.20 . 1 . . . . . . . . 6354 1 676 . 1 1 73 73 PRO CA C 13 61.8 0.20 . 1 . . . . . . . . 6354 1 677 . 1 1 73 73 PRO CG C 13 27.5 0.20 . 1 . . . . . . . . 6354 1 678 . 1 1 73 73 PRO CD C 13 51.1 0.20 . 1 . . . . . . . . 6354 1 679 . 1 1 73 73 PRO C C 13 177.0 0.20 . 1 . . . . . . . . 6354 1 680 . 1 1 73 73 PRO HA H 1 3.96 0.01 . 1 . . . . . . . . 6354 1 681 . 1 1 73 73 PRO HB2 H 1 2.22 0.01 . 2 . . . . . . . . 6354 1 682 . 1 1 73 73 PRO HG2 H 1 2.00 0.01 . 2 . . . . . . . . 6354 1 683 . 1 1 74 74 VAL N N 15 126.6 0.25 . 1 . . . . . . . . 6354 1 684 . 1 1 74 74 VAL H H 1 9.53 0.01 . 1 . . . . . . . . 6354 1 685 . 1 1 74 74 VAL CB C 13 33.0 0.20 . 1 . . . . . . . . 6354 1 686 . 1 1 74 74 VAL CA C 13 62.2 0.20 . 1 . . . . . . . . 6354 1 687 . 1 1 74 74 VAL CG1 C 13 22.7 0.20 . 1 . . . . . . . . 6354 1 688 . 1 1 74 74 VAL CG2 C 13 20.0 0.20 . 1 . . . . . . . . 6354 1 689 . 1 1 74 74 VAL C C 13 173.9 0.20 . 1 . . . . . . . . 6354 1 690 . 1 1 74 74 VAL HA H 1 3.98 0.01 . 1 . . . . . . . . 6354 1 691 . 1 1 74 74 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 6354 1 692 . 1 1 74 74 VAL HG11 H 1 0.78 0.01 . 2 . . . . . . . . 6354 1 693 . 1 1 74 74 VAL HG12 H 1 0.78 0.01 . 2 . . . . . . . . 6354 1 694 . 1 1 74 74 VAL HG13 H 1 0.78 0.01 . 2 . . . . . . . . 6354 1 695 . 1 1 75 75 GLU N N 15 123.9 0.25 . 1 . . . . . . . . 6354 1 696 . 1 1 75 75 GLU H H 1 8.79 0.01 . 1 . . . . . . . . 6354 1 697 . 1 1 75 75 GLU CB C 13 31.0 0.20 . 1 . . . . . . . . 6354 1 698 . 1 1 75 75 GLU CA C 13 56.6 0.20 . 1 . . . . . . . . 6354 1 699 . 1 1 75 75 GLU CG C 13 37.2 0.20 . 1 . . . . . . . . 6354 1 700 . 1 1 75 75 GLU C C 13 175.5 0.20 . 1 . . . . . . . . 6354 1 701 . 1 1 75 75 GLU HA H 1 4.62 0.01 . 1 . . . . . . . . 6354 1 702 . 1 1 75 75 GLU HB2 H 1 1.93 0.01 . 2 . . . . . . . . 6354 1 703 . 1 1 75 75 GLU HG2 H 1 2.20 0.01 . 2 . . . . . . . . 6354 1 704 . 1 1 76 76 GLN N N 15 115.9 0.25 . 1 . . . . . . . . 6354 1 705 . 1 1 76 76 GLN H H 1 7.14 0.01 . 1 . . . . . . . . 6354 1 706 . 1 1 76 76 GLN CB C 13 31.9 0.20 . 1 . . . . . . . . 6354 1 707 . 1 1 76 76 GLN CA C 13 55.0 0.20 . 1 . . . . . . . . 6354 1 708 . 1 1 76 76 GLN CG C 13 33.5 0.20 . 1 . . . . . . . . 6354 1 709 . 1 1 76 76 GLN C C 13 172.4 0.20 . 1 . . . . . . . . 6354 1 710 . 1 1 76 76 GLN HA H 1 3.86 0.01 . 1 . . . . . . . . 6354 1 711 . 1 1 76 76 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6354 1 712 . 1 1 76 76 GLN HG2 H 1 2.24 0.01 . 2 . . . . . . . . 6354 1 713 . 1 1 77 77 TYR N N 15 123.0 0.25 . 1 . . . . . . . . 6354 1 714 . 1 1 77 77 TYR H H 1 7.46 0.01 . 1 . . . . . . . . 6354 1 715 . 1 1 77 77 TYR CB C 13 42.2 0.20 . 1 . . . . . . . . 6354 1 716 . 1 1 77 77 TYR CA C 13 55.7 0.20 . 1 . . . . . . . . 6354 1 717 . 1 1 77 77 TYR C C 13 172.5 0.20 . 1 . . . . . . . . 6354 1 718 . 1 1 77 77 TYR HA H 1 4.20 0.01 . 1 . . . . . . . . 6354 1 719 . 1 1 77 77 TYR HB2 H 1 3.86 0.01 . 2 . . . . . . . . 6354 1 720 . 1 1 77 77 TYR HD1 H 1 6.79 0.01 . 3 . . . . . . . . 6354 1 721 . 1 1 78 78 PRO CB C 13 33.9 0.20 . 1 . . . . . . . . 6354 1 722 . 1 1 78 78 PRO CA C 13 63.1 0.20 . 1 . . . . . . . . 6354 1 723 . 1 1 78 78 PRO CG C 13 25.2 0.20 . 1 . . . . . . . . 6354 1 724 . 1 1 78 78 PRO CD C 13 49.8 0.20 . 1 . . . . . . . . 6354 1 725 . 1 1 78 78 PRO C C 13 175.6 0.20 . 1 . . . . . . . . 6354 1 726 . 1 1 78 78 PRO HA H 1 3.74 0.01 . 1 . . . . . . . . 6354 1 727 . 1 1 78 78 PRO HB2 H 1 2.20 0.01 . 2 . . . . . . . . 6354 1 728 . 1 1 78 78 PRO HB3 H 1 2.02 0.01 . 2 . . . . . . . . 6354 1 729 . 1 1 78 78 PRO HG2 H 1 1.73 0.01 . 2 . . . . . . . . 6354 1 730 . 1 1 78 78 PRO HG3 H 1 1.46 0.01 . 2 . . . . . . . . 6354 1 731 . 1 1 78 78 PRO HD2 H 1 3.37 0.01 . 2 . . . . . . . . 6354 1 732 . 1 1 78 78 PRO HD3 H 1 3.19 0.01 . 2 . . . . . . . . 6354 1 733 . 1 1 79 79 GLY N N 15 108.8 0.25 . 1 . . . . . . . . 6354 1 734 . 1 1 79 79 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 6354 1 735 . 1 1 79 79 GLY CA C 13 46.0 0.20 . 1 . . . . . . . . 6354 1 736 . 1 1 79 79 GLY C C 13 172.7 0.20 . 1 . . . . . . . . 6354 1 737 . 1 1 79 79 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 6354 1 738 . 1 1 80 80 ILE N N 15 115.6 0.25 . 1 . . . . . . . . 6354 1 739 . 1 1 80 80 ILE H H 1 8.01 0.01 . 1 . . . . . . . . 6354 1 740 . 1 1 80 80 ILE CB C 13 39.1 0.20 . 1 . . . . . . . . 6354 1 741 . 1 1 80 80 ILE CA C 13 62.2 0.20 . 1 . . . . . . . . 6354 1 742 . 1 1 80 80 ILE CG1 C 13 28.0 0.20 . 2 . . . . . . . . 6354 1 743 . 1 1 80 80 ILE CG2 C 13 17.5 0.20 . 2 . . . . . . . . 6354 1 744 . 1 1 80 80 ILE CD1 C 13 13.8 0.20 . 1 . . . . . . . . 6354 1 745 . 1 1 80 80 ILE C C 13 176.0 0.20 . 1 . . . . . . . . 6354 1 746 . 1 1 80 80 ILE HA H 1 4.16 0.01 . 1 . . . . . . . . 6354 1 747 . 1 1 80 80 ILE HB H 1 2.02 0.01 . 1 . . . . . . . . 6354 1 748 . 1 1 80 80 ILE HG12 H 1 1.56 0.01 . 2 . . . . . . . . 6354 1 749 . 1 1 80 80 ILE HG13 H 1 1.37 0.01 . 2 . . . . . . . . 6354 1 750 . 1 1 80 80 ILE HD11 H 1 1.00 0.01 . 1 . . . . . . . . 6354 1 751 . 1 1 80 80 ILE HD12 H 1 1.00 0.01 . 1 . . . . . . . . 6354 1 752 . 1 1 80 80 ILE HD13 H 1 1.00 0.01 . 1 . . . . . . . . 6354 1 753 . 1 1 81 81 ALA N N 15 120.8 0.25 . 1 . . . . . . . . 6354 1 754 . 1 1 81 81 ALA H H 1 8.61 0.01 . 1 . . . . . . . . 6354 1 755 . 1 1 81 81 ALA CB C 13 21.4 0.20 . 1 . . . . . . . . 6354 1 756 . 1 1 81 81 ALA CA C 13 54.5 0.20 . 1 . . . . . . . . 6354 1 757 . 1 1 81 81 ALA C C 13 176.9 0.20 . 1 . . . . . . . . 6354 1 758 . 1 1 81 81 ALA HA H 1 4.27 0.01 . 1 . . . . . . . . 6354 1 759 . 1 1 81 81 ALA HB1 H 1 1.75 0.01 . 1 . . . . . . . . 6354 1 760 . 1 1 81 81 ALA HB2 H 1 1.75 0.01 . 1 . . . . . . . . 6354 1 761 . 1 1 81 81 ALA HB3 H 1 1.75 0.01 . 1 . . . . . . . . 6354 1 762 . 1 1 82 82 VAL N N 15 111.8 0.25 . 1 . . . . . . . . 6354 1 763 . 1 1 82 82 VAL H H 1 7.29 0.01 . 1 . . . . . . . . 6354 1 764 . 1 1 82 82 VAL CB C 13 35.2 0.20 . 1 . . . . . . . . 6354 1 765 . 1 1 82 82 VAL CA C 13 61.3 0.20 . 1 . . . . . . . . 6354 1 766 . 1 1 82 82 VAL CG1 C 13 21.1 0.20 . 1 . . . . . . . . 6354 1 767 . 1 1 82 82 VAL C C 13 173.4 0.20 . 1 . . . . . . . . 6354 1 768 . 1 1 82 82 VAL HA H 1 4.98 0.01 . 1 . . . . . . . . 6354 1 769 . 1 1 82 82 VAL HB H 1 2.22 0.01 . 1 . . . . . . . . 6354 1 770 . 1 1 82 82 VAL HG11 H 1 1.00 0.01 . 2 . . . . . . . . 6354 1 771 . 1 1 82 82 VAL HG12 H 1 1.00 0.01 . 2 . . . . . . . . 6354 1 772 . 1 1 82 82 VAL HG13 H 1 1.00 0.01 . 2 . . . . . . . . 6354 1 773 . 1 1 83 83 GLU N N 15 126.4 0.25 . 1 . . . . . . . . 6354 1 774 . 1 1 83 83 GLU H H 1 9.51 0.01 . 1 . . . . . . . . 6354 1 775 . 1 1 83 83 GLU CB C 13 33.7 0.20 . 1 . . . . . . . . 6354 1 776 . 1 1 83 83 GLU CA C 13 55.0 0.20 . 1 . . . . . . . . 6354 1 777 . 1 1 83 83 GLU CG C 13 36.7 0.20 . 1 . . . . . . . . 6354 1 778 . 1 1 83 83 GLU C C 13 176.1 0.20 . 1 . . . . . . . . 6354 1 779 . 1 1 83 83 GLU HA H 1 5.18 0.01 . 1 . . . . . . . . 6354 1 780 . 1 1 83 83 GLU HB2 H 1 2.20 0.01 . 2 . . . . . . . . 6354 1 781 . 1 1 83 83 GLU HG2 H 1 2.58 0.01 . 2 . . . . . . . . 6354 1 782 . 1 1 84 84 THR N N 15 114.8 0.25 . 1 . . . . . . . . 6354 1 783 . 1 1 84 84 THR H H 1 8.53 0.01 . 1 . . . . . . . . 6354 1 784 . 1 1 84 84 THR CB C 13 69.9 0.20 . 1 . . . . . . . . 6354 1 785 . 1 1 84 84 THR CA C 13 61.8 0.20 . 1 . . . . . . . . 6354 1 786 . 1 1 84 84 THR CG2 C 13 22.4 0.20 . 1 . . . . . . . . 6354 1 787 . 1 1 84 84 THR C C 13 175.0 0.20 . 1 . . . . . . . . 6354 1 788 . 1 1 84 84 THR HA H 1 4.50 0.01 . 1 . . . . . . . . 6354 1 789 . 1 1 84 84 THR HB H 1 4.68 0.01 . 1 . . . . . . . . 6354 1 790 . 1 1 84 84 THR HG21 H 1 1.50 0.01 . 1 . . . . . . . . 6354 1 791 . 1 1 84 84 THR HG22 H 1 1.50 0.01 . 1 . . . . . . . . 6354 1 792 . 1 1 84 84 THR HG23 H 1 1.50 0.01 . 1 . . . . . . . . 6354 1 793 . 1 1 85 85 VAL N N 15 112.5 0.25 . 1 . . . . . . . . 6354 1 794 . 1 1 85 85 VAL H H 1 7.61 0.01 . 1 . . . . . . . . 6354 1 795 . 1 1 85 85 VAL CB C 13 32.3 0.20 . 1 . . . . . . . . 6354 1 796 . 1 1 85 85 VAL CA C 13 60.7 0.20 . 1 . . . . . . . . 6354 1 797 . 1 1 85 85 VAL CG1 C 13 21.5 0.20 . 1 . . . . . . . . 6354 1 798 . 1 1 85 85 VAL C C 13 176.8 0.20 . 1 . . . . . . . . 6354 1 799 . 1 1 85 85 VAL HA H 1 4.71 0.01 . 1 . . . . . . . . 6354 1 800 . 1 1 85 85 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 6354 1 801 . 1 1 85 85 VAL HG11 H 1 0.95 0.01 . 2 . . . . . . . . 6354 1 802 . 1 1 85 85 VAL HG12 H 1 0.95 0.01 . 2 . . . . . . . . 6354 1 803 . 1 1 85 85 VAL HG13 H 1 0.95 0.01 . 2 . . . . . . . . 6354 1 804 . 1 1 85 85 VAL HG21 H 1 0.62 0.01 . 2 . . . . . . . . 6354 1 805 . 1 1 85 85 VAL HG22 H 1 0.62 0.01 . 2 . . . . . . . . 6354 1 806 . 1 1 85 85 VAL HG23 H 1 0.62 0.01 . 2 . . . . . . . . 6354 1 807 . 1 1 86 86 THR N N 15 108.4 0.25 . 1 . . . . . . . . 6354 1 808 . 1 1 86 86 THR H H 1 8.60 0.01 . 1 . . . . . . . . 6354 1 809 . 1 1 86 86 THR CB C 13 69.8 0.20 . 1 . . . . . . . . 6354 1 810 . 1 1 86 86 THR CA C 13 63.7 0.20 . 1 . . . . . . . . 6354 1 811 . 1 1 86 86 THR CG2 C 13 21.7 0.20 . 1 . . . . . . . . 6354 1 812 . 1 1 86 86 THR C C 13 176.3 0.20 . 1 . . . . . . . . 6354 1 813 . 1 1 86 86 THR HA H 1 4.18 0.01 . 1 . . . . . . . . 6354 1 814 . 1 1 86 86 THR HB H 1 4.33 0.01 . 1 . . . . . . . . 6354 1 815 . 1 1 86 86 THR HG21 H 1 1.29 0.01 . 1 . . . . . . . . 6354 1 816 . 1 1 86 86 THR HG22 H 1 1.29 0.01 . 1 . . . . . . . . 6354 1 817 . 1 1 86 86 THR HG23 H 1 1.29 0.01 . 1 . . . . . . . . 6354 1 818 . 1 1 87 87 ASP N N 15 117.6 0.25 . 1 . . . . . . . . 6354 1 819 . 1 1 87 87 ASP H H 1 9.33 0.01 . 1 . . . . . . . . 6354 1 820 . 1 1 87 87 ASP CB C 13 40.7 0.20 . 1 . . . . . . . . 6354 1 821 . 1 1 87 87 ASP CA C 13 52.9 0.20 . 1 . . . . . . . . 6354 1 822 . 1 1 87 87 ASP C C 13 175.1 0.20 . 1 . . . . . . . . 6354 1 823 . 1 1 87 87 ASP HA H 1 4.61 0.01 . 1 . . . . . . . . 6354 1 824 . 1 1 87 87 ASP HB2 H 1 2.83 0.01 . 2 . . . . . . . . 6354 1 825 . 1 1 87 87 ASP HB3 H 1 2.27 0.01 . 2 . . . . . . . . 6354 1 826 . 1 1 88 88 SER N N 15 112.7 0.25 . 1 . . . . . . . . 6354 1 827 . 1 1 88 88 SER H H 1 7.04 0.01 . 1 . . . . . . . . 6354 1 828 . 1 1 88 88 SER CB C 13 64.3 0.20 . 1 . . . . . . . . 6354 1 829 . 1 1 88 88 SER CA C 13 57.5 0.20 . 1 . . . . . . . . 6354 1 830 . 1 1 88 88 SER C C 13 173.4 0.20 . 1 . . . . . . . . 6354 1 831 . 1 1 88 88 SER HA H 1 4.64 0.01 . 1 . . . . . . . . 6354 1 832 . 1 1 88 88 SER HB2 H 1 3.99 0.01 . 2 . . . . . . . . 6354 1 833 . 1 1 89 89 SER CB C 13 64.4 0.20 . 1 . . . . . . . . 6354 1 834 . 1 1 89 89 SER CA C 13 58.8 0.20 . 1 . . . . . . . . 6354 1 835 . 1 1 89 89 SER C C 13 174.8 0.20 . 1 . . . . . . . . 6354 1 836 . 1 1 89 89 SER HA H 1 4.61 0.01 . 1 . . . . . . . . 6354 1 837 . 1 1 89 89 SER HB2 H 1 3.98 0.01 . 2 . . . . . . . . 6354 1 838 . 1 1 90 90 ARG N N 15 116.9 0.25 . 1 . . . . . . . . 6354 1 839 . 1 1 90 90 ARG H H 1 8.26 0.01 . 1 . . . . . . . . 6354 1 840 . 1 1 90 90 ARG CB C 13 31.1 0.20 . 1 . . . . . . . . 6354 1 841 . 1 1 90 90 ARG CA C 13 56.8 0.20 . 1 . . . . . . . . 6354 1 842 . 1 1 90 90 ARG CG C 13 29.8 0.20 . 1 . . . . . . . . 6354 1 843 . 1 1 90 90 ARG CD C 13 42.8 0.20 . 1 . . . . . . . . 6354 1 844 . 1 1 90 90 ARG C C 13 173.1 0.20 . 1 . . . . . . . . 6354 1 845 . 1 1 90 90 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 6354 1 846 . 1 1 90 90 ARG HB2 H 1 2.11 0.01 . 2 . . . . . . . . 6354 1 847 . 1 1 90 90 ARG HG2 H 1 1.66 0.01 . 2 . . . . . . . . 6354 1 848 . 1 1 90 90 ARG HD2 H 1 3.02 0.01 . 2 . . . . . . . . 6354 1 849 . 1 1 91 91 TYR N N 15 111.7 0.25 . 1 . . . . . . . . 6354 1 850 . 1 1 91 91 TYR H H 1 6.17 0.01 . 1 . . . . . . . . 6354 1 851 . 1 1 91 91 TYR CB C 13 42.3 0.20 . 1 . . . . . . . . 6354 1 852 . 1 1 91 91 TYR CA C 13 55.8 0.20 . 1 . . . . . . . . 6354 1 853 . 1 1 91 91 TYR C C 13 173.7 0.20 . 1 . . . . . . . . 6354 1 854 . 1 1 91 91 TYR HA H 1 5.80 0.01 . 1 . . . . . . . . 6354 1 855 . 1 1 91 91 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 6354 1 856 . 1 1 91 91 TYR HB3 H 1 2.15 0.01 . 2 . . . . . . . . 6354 1 857 . 1 1 91 91 TYR HD1 H 1 6.93 0.01 . 3 . . . . . . . . 6354 1 858 . 1 1 92 92 PHE N N 15 116.5 0.25 . 1 . . . . . . . . 6354 1 859 . 1 1 92 92 PHE H H 1 9.15 0.01 . 1 . . . . . . . . 6354 1 860 . 1 1 92 92 PHE CB C 13 43.8 0.20 . 1 . . . . . . . . 6354 1 861 . 1 1 92 92 PHE CA C 13 56.1 0.20 . 1 . . . . . . . . 6354 1 862 . 1 1 92 92 PHE C C 13 173.7 0.20 . 1 . . . . . . . . 6354 1 863 . 1 1 92 92 PHE HA H 1 5.30 0.01 . 1 . . . . . . . . 6354 1 864 . 1 1 92 92 PHE HB2 H 1 3.14 0.01 . 2 . . . . . . . . 6354 1 865 . 1 1 92 92 PHE HB3 H 1 2.54 0.01 . 2 . . . . . . . . 6354 1 866 . 1 1 92 92 PHE HD1 H 1 6.98 0.01 . 3 . . . . . . . . 6354 1 867 . 1 1 93 93 VAL N N 15 121.2 0.25 . 1 . . . . . . . . 6354 1 868 . 1 1 93 93 VAL H H 1 9.59 0.01 . 1 . . . . . . . . 6354 1 869 . 1 1 93 93 VAL CB C 13 33.7 0.20 . 1 . . . . . . . . 6354 1 870 . 1 1 93 93 VAL CA C 13 61.9 0.20 . 1 . . . . . . . . 6354 1 871 . 1 1 93 93 VAL CG1 C 13 21.2 0.20 . 1 . . . . . . . . 6354 1 872 . 1 1 93 93 VAL C C 13 176.8 0.20 . 1 . . . . . . . . 6354 1 873 . 1 1 93 93 VAL HA H 1 5.02 0.01 . 1 . . . . . . . . 6354 1 874 . 1 1 93 93 VAL HB H 1 1.60 0.01 . 1 . . . . . . . . 6354 1 875 . 1 1 93 93 VAL HG11 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 876 . 1 1 93 93 VAL HG12 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 877 . 1 1 93 93 VAL HG13 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 878 . 1 1 93 93 VAL HG21 H 1 0.29 0.01 . 2 . . . . . . . . 6354 1 879 . 1 1 93 93 VAL HG22 H 1 0.29 0.01 . 2 . . . . . . . . 6354 1 880 . 1 1 93 93 VAL HG23 H 1 0.29 0.01 . 2 . . . . . . . . 6354 1 881 . 1 1 94 94 ILE N N 15 121.6 0.25 . 1 . . . . . . . . 6354 1 882 . 1 1 94 94 ILE H H 1 9.34 0.01 . 1 . . . . . . . . 6354 1 883 . 1 1 94 94 ILE CB C 13 41.2 0.20 . 1 . . . . . . . . 6354 1 884 . 1 1 94 94 ILE CA C 13 57.9 0.20 . 1 . . . . . . . . 6354 1 885 . 1 1 94 94 ILE CG2 C 13 17.4 0.20 . 2 . . . . . . . . 6354 1 886 . 1 1 94 94 ILE CD1 C 13 13.5 0.20 . 1 . . . . . . . . 6354 1 887 . 1 1 94 94 ILE C C 13 173.6 0.20 . 1 . . . . . . . . 6354 1 888 . 1 1 94 94 ILE HA H 1 5.78 0.01 . 1 . . . . . . . . 6354 1 889 . 1 1 94 94 ILE HB H 1 2.21 0.01 . 1 . . . . . . . . 6354 1 890 . 1 1 94 94 ILE HG12 H 1 1.31 0.01 . 2 . . . . . . . . 6354 1 891 . 1 1 94 94 ILE HG21 H 1 1.02 0.01 . 1 . . . . . . . . 6354 1 892 . 1 1 94 94 ILE HG22 H 1 1.02 0.01 . 1 . . . . . . . . 6354 1 893 . 1 1 94 94 ILE HG23 H 1 1.02 0.01 . 1 . . . . . . . . 6354 1 894 . 1 1 94 94 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 6354 1 895 . 1 1 94 94 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 6354 1 896 . 1 1 94 94 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 6354 1 897 . 1 1 95 95 ARG N N 15 123.9 0.25 . 1 . . . . . . . . 6354 1 898 . 1 1 95 95 ARG H H 1 8.34 0.01 . 1 . . . . . . . . 6354 1 899 . 1 1 95 95 ARG CB C 13 31.2 0.20 . 1 . . . . . . . . 6354 1 900 . 1 1 95 95 ARG CA C 13 53.6 0.20 . 1 . . . . . . . . 6354 1 901 . 1 1 95 95 ARG CG C 13 26.8 0.20 . 1 . . . . . . . . 6354 1 902 . 1 1 95 95 ARG CD C 13 43.6 0.20 . 1 . . . . . . . . 6354 1 903 . 1 1 95 95 ARG C C 13 176.4 0.20 . 1 . . . . . . . . 6354 1 904 . 1 1 95 95 ARG HA H 1 4.71 0.01 . 1 . . . . . . . . 6354 1 905 . 1 1 95 95 ARG HB2 H 1 2.01 0.01 . 2 . . . . . . . . 6354 1 906 . 1 1 96 96 ILE N N 15 120.9 0.25 . 1 . . . . . . . . 6354 1 907 . 1 1 96 96 ILE H H 1 8.46 0.01 . 1 . . . . . . . . 6354 1 908 . 1 1 96 96 ILE CB C 13 39.2 0.20 . 1 . . . . . . . . 6354 1 909 . 1 1 96 96 ILE CA C 13 60.2 0.20 . 1 . . . . . . . . 6354 1 910 . 1 1 96 96 ILE CG2 C 13 18.4 0.20 . 2 . . . . . . . . 6354 1 911 . 1 1 96 96 ILE CD1 C 13 13.2 0.20 . 1 . . . . . . . . 6354 1 912 . 1 1 96 96 ILE C C 13 175.4 0.20 . 1 . . . . . . . . 6354 1 913 . 1 1 96 96 ILE HA H 1 4.57 0.01 . 1 . . . . . . . . 6354 1 914 . 1 1 96 96 ILE HB H 1 1.76 0.01 . 1 . . . . . . . . 6354 1 915 . 1 1 96 96 ILE HG12 H 1 1.25 0.01 . 2 . . . . . . . . 6354 1 916 . 1 1 96 96 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 6354 1 917 . 1 1 96 96 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 6354 1 918 . 1 1 96 96 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 6354 1 919 . 1 1 96 96 ILE HD11 H 1 0.59 0.01 . 1 . . . . . . . . 6354 1 920 . 1 1 96 96 ILE HD12 H 1 0.59 0.01 . 1 . . . . . . . . 6354 1 921 . 1 1 96 96 ILE HD13 H 1 0.59 0.01 . 1 . . . . . . . . 6354 1 922 . 1 1 97 97 GLN N N 15 117.2 0.25 . 1 . . . . . . . . 6354 1 923 . 1 1 97 97 GLN H H 1 8.20 0.01 . 1 . . . . . . . . 6354 1 924 . 1 1 97 97 GLN CB C 13 33.0 0.20 . 1 . . . . . . . . 6354 1 925 . 1 1 97 97 GLN CA C 13 54.7 0.20 . 1 . . . . . . . . 6354 1 926 . 1 1 97 97 GLN CG C 13 34.3 0.20 . 1 . . . . . . . . 6354 1 927 . 1 1 97 97 GLN C C 13 176.4 0.20 . 1 . . . . . . . . 6354 1 928 . 1 1 97 97 GLN HA H 1 5.14 0.01 . 1 . . . . . . . . 6354 1 929 . 1 1 97 97 GLN HB2 H 1 1.99 0.01 . 2 . . . . . . . . 6354 1 930 . 1 1 97 97 GLN HB3 H 1 1.75 0.01 . 2 . . . . . . . . 6354 1 931 . 1 1 97 97 GLN HG2 H 1 2.24 0.01 . 2 . . . . . . . . 6354 1 932 . 1 1 98 98 ASP N N 15 124.9 0.25 . 1 . . . . . . . . 6354 1 933 . 1 1 98 98 ASP H H 1 8.34 0.01 . 1 . . . . . . . . 6354 1 934 . 1 1 98 98 ASP CB C 13 41.2 0.20 . 1 . . . . . . . . 6354 1 935 . 1 1 98 98 ASP CA C 13 52.5 0.20 . 1 . . . . . . . . 6354 1 936 . 1 1 98 98 ASP C C 13 177.7 0.20 . 1 . . . . . . . . 6354 1 937 . 1 1 98 98 ASP HA H 1 4.73 0.01 . 1 . . . . . . . . 6354 1 938 . 1 1 98 98 ASP HB2 H 1 3.10 0.01 . 2 . . . . . . . . 6354 1 939 . 1 1 98 98 ASP HB3 H 1 2.53 0.01 . 2 . . . . . . . . 6354 1 940 . 1 1 99 99 GLY CA C 13 46.3 0.20 . 1 . . . . . . . . 6354 1 941 . 1 1 99 99 GLY C C 13 175.1 0.20 . 1 . . . . . . . . 6354 1 942 . 1 1 99 99 GLY HA2 H 1 3.94 0.01 . 2 . . . . . . . . 6354 1 943 . 1 1 100 100 THR N N 15 111.1 0.25 . 1 . . . . . . . . 6354 1 944 . 1 1 100 100 THR H H 1 8.43 0.01 . 1 . . . . . . . . 6354 1 945 . 1 1 100 100 THR CB C 13 70.0 0.20 . 1 . . . . . . . . 6354 1 946 . 1 1 100 100 THR CA C 13 61.6 0.20 . 1 . . . . . . . . 6354 1 947 . 1 1 100 100 THR CG2 C 13 21.3 0.20 . 1 . . . . . . . . 6354 1 948 . 1 1 100 100 THR C C 13 175.2 0.20 . 1 . . . . . . . . 6354 1 949 . 1 1 100 100 THR HA H 1 4.48 0.01 . 1 . . . . . . . . 6354 1 950 . 1 1 100 100 THR HB H 1 4.35 0.01 . 1 . . . . . . . . 6354 1 951 . 1 1 100 100 THR HG21 H 1 1.12 0.01 . 1 . . . . . . . . 6354 1 952 . 1 1 100 100 THR HG22 H 1 1.12 0.01 . 1 . . . . . . . . 6354 1 953 . 1 1 100 100 THR HG23 H 1 1.12 0.01 . 1 . . . . . . . . 6354 1 954 . 1 1 101 101 GLY N N 15 109.6 0.25 . 1 . . . . . . . . 6354 1 955 . 1 1 101 101 GLY H H 1 8.12 0.01 . 1 . . . . . . . . 6354 1 956 . 1 1 101 101 GLY CA C 13 44.8 0.20 . 1 . . . . . . . . 6354 1 957 . 1 1 101 101 GLY C C 13 174.1 0.20 . 1 . . . . . . . . 6354 1 958 . 1 1 101 101 GLY HA2 H 1 4.35 0.01 . 2 . . . . . . . . 6354 1 959 . 1 1 101 101 GLY HA3 H 1 3.52 0.01 . 2 . . . . . . . . 6354 1 960 . 1 1 102 102 ARG N N 15 121.9 0.25 . 1 . . . . . . . . 6354 1 961 . 1 1 102 102 ARG H H 1 7.79 0.01 . 1 . . . . . . . . 6354 1 962 . 1 1 102 102 ARG CB C 13 30.5 0.20 . 1 . . . . . . . . 6354 1 963 . 1 1 102 102 ARG CA C 13 56.3 0.20 . 1 . . . . . . . . 6354 1 964 . 1 1 102 102 ARG CG C 13 27.1 0.20 . 1 . . . . . . . . 6354 1 965 . 1 1 102 102 ARG CD C 13 43.3 0.20 . 1 . . . . . . . . 6354 1 966 . 1 1 102 102 ARG C C 13 176.1 0.20 . 1 . . . . . . . . 6354 1 967 . 1 1 102 102 ARG HA H 1 4.38 0.01 . 1 . . . . . . . . 6354 1 968 . 1 1 102 102 ARG HB2 H 1 1.75 0.01 . 2 . . . . . . . . 6354 1 969 . 1 1 102 102 ARG HG2 H 1 1.54 0.01 . 2 . . . . . . . . 6354 1 970 . 1 1 102 102 ARG HD2 H 1 3.11 0.01 . 2 . . . . . . . . 6354 1 971 . 1 1 103 103 SER N N 15 118.5 0.25 . 1 . . . . . . . . 6354 1 972 . 1 1 103 103 SER H H 1 8.42 0.01 . 1 . . . . . . . . 6354 1 973 . 1 1 103 103 SER CB C 13 66.0 0.20 . 1 . . . . . . . . 6354 1 974 . 1 1 103 103 SER CA C 13 57.4 0.20 . 1 . . . . . . . . 6354 1 975 . 1 1 103 103 SER C C 13 173.0 0.20 . 1 . . . . . . . . 6354 1 976 . 1 1 103 103 SER HA H 1 5.35 0.01 . 1 . . . . . . . . 6354 1 977 . 1 1 103 103 SER HB2 H 1 3.53 0.01 . 2 . . . . . . . . 6354 1 978 . 1 1 104 104 ALA N N 15 123.7 0.25 . 1 . . . . . . . . 6354 1 979 . 1 1 104 104 ALA H H 1 8.40 0.01 . 1 . . . . . . . . 6354 1 980 . 1 1 104 104 ALA CB C 13 21.8 0.20 . 1 . . . . . . . . 6354 1 981 . 1 1 104 104 ALA CA C 13 51.1 0.20 . 1 . . . . . . . . 6354 1 982 . 1 1 104 104 ALA C C 13 174.2 0.20 . 1 . . . . . . . . 6354 1 983 . 1 1 104 104 ALA HA H 1 4.41 0.01 . 1 . . . . . . . . 6354 1 984 . 1 1 104 104 ALA HB1 H 1 1.18 0.01 . 1 . . . . . . . . 6354 1 985 . 1 1 104 104 ALA HB2 H 1 1.18 0.01 . 1 . . . . . . . . 6354 1 986 . 1 1 104 104 ALA HB3 H 1 1.18 0.01 . 1 . . . . . . . . 6354 1 987 . 1 1 105 105 PHE N N 15 117.8 0.25 . 1 . . . . . . . . 6354 1 988 . 1 1 105 105 PHE H H 1 8.44 0.01 . 1 . . . . . . . . 6354 1 989 . 1 1 105 105 PHE CB C 13 40.4 0.20 . 1 . . . . . . . . 6354 1 990 . 1 1 105 105 PHE CA C 13 57.1 0.20 . 1 . . . . . . . . 6354 1 991 . 1 1 105 105 PHE C C 13 175.7 0.20 . 1 . . . . . . . . 6354 1 992 . 1 1 105 105 PHE HA H 1 5.50 0.01 . 1 . . . . . . . . 6354 1 993 . 1 1 105 105 PHE HB2 H 1 2.77 0.01 . 2 . . . . . . . . 6354 1 994 . 1 1 105 105 PHE HB3 H 1 2.67 0.01 . 2 . . . . . . . . 6354 1 995 . 1 1 105 105 PHE HD1 H 1 7.21 0.01 . 3 . . . . . . . . 6354 1 996 . 1 1 106 106 ILE N N 15 116.1 0.25 . 1 . . . . . . . . 6354 1 997 . 1 1 106 106 ILE H H 1 8.85 0.01 . 1 . . . . . . . . 6354 1 998 . 1 1 106 106 ILE CB C 13 42.0 0.20 . 1 . . . . . . . . 6354 1 999 . 1 1 106 106 ILE CA C 13 59.4 0.20 . 1 . . . . . . . . 6354 1 1000 . 1 1 106 106 ILE CG2 C 13 17.5 0.20 . 2 . . . . . . . . 6354 1 1001 . 1 1 106 106 ILE CD1 C 13 14.2 0.20 . 1 . . . . . . . . 6354 1 1002 . 1 1 106 106 ILE C C 13 173.3 0.20 . 1 . . . . . . . . 6354 1 1003 . 1 1 106 106 ILE HA H 1 4.59 0.01 . 1 . . . . . . . . 6354 1 1004 . 1 1 106 106 ILE HB H 1 1.77 0.01 . 1 . . . . . . . . 6354 1 1005 . 1 1 106 106 ILE HD11 H 1 0.70 0.01 . 1 . . . . . . . . 6354 1 1006 . 1 1 106 106 ILE HD12 H 1 0.70 0.01 . 1 . . . . . . . . 6354 1 1007 . 1 1 106 106 ILE HD13 H 1 0.70 0.01 . 1 . . . . . . . . 6354 1 1008 . 1 1 107 107 GLY N N 15 109.7 0.25 . 1 . . . . . . . . 6354 1 1009 . 1 1 107 107 GLY H H 1 8.65 0.01 . 1 . . . . . . . . 6354 1 1010 . 1 1 107 107 GLY CA C 13 44.7 0.20 . 1 . . . . . . . . 6354 1 1011 . 1 1 107 107 GLY C C 13 173.5 0.20 . 1 . . . . . . . . 6354 1 1012 . 1 1 107 107 GLY HA2 H 1 5.12 0.01 . 2 . . . . . . . . 6354 1 1013 . 1 1 107 107 GLY HA3 H 1 2.66 0.01 . 2 . . . . . . . . 6354 1 1014 . 1 1 108 108 ILE N N 15 116.1 0.25 . 1 . . . . . . . . 6354 1 1015 . 1 1 108 108 ILE H H 1 9.69 0.01 . 1 . . . . . . . . 6354 1 1016 . 1 1 108 108 ILE CB C 13 42.2 0.20 . 1 . . . . . . . . 6354 1 1017 . 1 1 108 108 ILE CA C 13 58.6 0.20 . 1 . . . . . . . . 6354 1 1018 . 1 1 108 108 ILE CG1 C 13 26.5 0.20 . 2 . . . . . . . . 6354 1 1019 . 1 1 108 108 ILE CG2 C 13 17.5 0.20 . 2 . . . . . . . . 6354 1 1020 . 1 1 108 108 ILE CD1 C 13 13.4 0.20 . 1 . . . . . . . . 6354 1 1021 . 1 1 108 108 ILE C C 13 175.7 0.20 . 1 . . . . . . . . 6354 1 1022 . 1 1 108 108 ILE HA H 1 6.03 0.01 . 1 . . . . . . . . 6354 1 1023 . 1 1 108 108 ILE HB H 1 1.75 0.01 . 1 . . . . . . . . 6354 1 1024 . 1 1 108 108 ILE HG12 H 1 1.48 0.01 . 2 . . . . . . . . 6354 1 1025 . 1 1 108 108 ILE HG21 H 1 0.79 0.01 . 1 . . . . . . . . 6354 1 1026 . 1 1 108 108 ILE HG22 H 1 0.79 0.01 . 1 . . . . . . . . 6354 1 1027 . 1 1 108 108 ILE HG23 H 1 0.79 0.01 . 1 . . . . . . . . 6354 1 1028 . 1 1 108 108 ILE HD11 H 1 0.31 0.01 . 1 . . . . . . . . 6354 1 1029 . 1 1 108 108 ILE HD12 H 1 0.31 0.01 . 1 . . . . . . . . 6354 1 1030 . 1 1 108 108 ILE HD13 H 1 0.31 0.01 . 1 . . . . . . . . 6354 1 1031 . 1 1 109 109 GLY N N 15 105.9 0.25 . 1 . . . . . . . . 6354 1 1032 . 1 1 109 109 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 6354 1 1033 . 1 1 109 109 GLY CA C 13 46.5 0.20 . 1 . . . . . . . . 6354 1 1034 . 1 1 109 109 GLY C C 13 171.3 0.20 . 1 . . . . . . . . 6354 1 1035 . 1 1 109 109 GLY HA2 H 1 4.96 0.01 . 2 . . . . . . . . 6354 1 1036 . 1 1 109 109 GLY HA3 H 1 3.73 0.01 . 2 . . . . . . . . 6354 1 1037 . 1 1 110 110 PHE N N 15 118.7 0.25 . 1 . . . . . . . . 6354 1 1038 . 1 1 110 110 PHE H H 1 7.81 0.01 . 1 . . . . . . . . 6354 1 1039 . 1 1 110 110 PHE CB C 13 41.8 0.20 . 1 . . . . . . . . 6354 1 1040 . 1 1 110 110 PHE CA C 13 56.1 0.20 . 1 . . . . . . . . 6354 1 1041 . 1 1 110 110 PHE C C 13 176.0 0.20 . 1 . . . . . . . . 6354 1 1042 . 1 1 110 110 PHE HA H 1 4.96 0.01 . 1 . . . . . . . . 6354 1 1043 . 1 1 110 110 PHE HB2 H 1 3.51 0.01 . 2 . . . . . . . . 6354 1 1044 . 1 1 110 110 PHE HB3 H 1 2.58 0.01 . 2 . . . . . . . . 6354 1 1045 . 1 1 110 110 PHE HD1 H 1 7.40 0.01 . 3 . . . . . . . . 6354 1 1046 . 1 1 111 111 THR N N 15 117.1 0.25 . 1 . . . . . . . . 6354 1 1047 . 1 1 111 111 THR H H 1 8.94 0.01 . 1 . . . . . . . . 6354 1 1048 . 1 1 111 111 THR CB C 13 69.0 0.20 . 1 . . . . . . . . 6354 1 1049 . 1 1 111 111 THR CA C 13 65.3 0.20 . 1 . . . . . . . . 6354 1 1050 . 1 1 111 111 THR CG2 C 13 22.1 0.20 . 1 . . . . . . . . 6354 1 1051 . 1 1 111 111 THR C C 13 174.1 0.20 . 1 . . . . . . . . 6354 1 1052 . 1 1 111 111 THR HA H 1 3.90 0.01 . 1 . . . . . . . . 6354 1 1053 . 1 1 111 111 THR HB H 1 4.20 0.01 . 1 . . . . . . . . 6354 1 1054 . 1 1 111 111 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 6354 1 1055 . 1 1 111 111 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 6354 1 1056 . 1 1 111 111 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 6354 1 1057 . 1 1 112 112 ASP N N 15 119.7 0.25 . 1 . . . . . . . . 6354 1 1058 . 1 1 112 112 ASP H H 1 8.53 0.01 . 1 . . . . . . . . 6354 1 1059 . 1 1 112 112 ASP CB C 13 43.7 0.20 . 1 . . . . . . . . 6354 1 1060 . 1 1 112 112 ASP CA C 13 52.8 0.20 . 1 . . . . . . . . 6354 1 1061 . 1 1 112 112 ASP C C 13 176.7 0.20 . 1 . . . . . . . . 6354 1 1062 . 1 1 112 112 ASP HA H 1 4.91 0.01 . 1 . . . . . . . . 6354 1 1063 . 1 1 112 112 ASP HB2 H 1 2.86 0.01 . 2 . . . . . . . . 6354 1 1064 . 1 1 112 112 ASP HB3 H 1 2.62 0.01 . 2 . . . . . . . . 6354 1 1065 . 1 1 113 113 ARG N N 15 124.8 0.25 . 1 . . . . . . . . 6354 1 1066 . 1 1 113 113 ARG H H 1 9.05 0.01 . 1 . . . . . . . . 6354 1 1067 . 1 1 113 113 ARG CB C 13 30.2 0.20 . 1 . . . . . . . . 6354 1 1068 . 1 1 113 113 ARG CA C 13 59.9 0.20 . 1 . . . . . . . . 6354 1 1069 . 1 1 113 113 ARG CG C 13 27.2 0.20 . 1 . . . . . . . . 6354 1 1070 . 1 1 113 113 ARG CD C 13 43.4 0.20 . 1 . . . . . . . . 6354 1 1071 . 1 1 113 113 ARG C C 13 178.3 0.20 . 1 . . . . . . . . 6354 1 1072 . 1 1 113 113 ARG HA H 1 3.16 0.01 . 1 . . . . . . . . 6354 1 1073 . 1 1 113 113 ARG HB2 H 1 1.77 0.01 . 2 . . . . . . . . 6354 1 1074 . 1 1 113 113 ARG HG2 H 1 1.63 0.01 . 2 . . . . . . . . 6354 1 1075 . 1 1 113 113 ARG HD2 H 1 3.19 0.01 . 2 . . . . . . . . 6354 1 1076 . 1 1 114 114 GLY N N 15 109.0 0.25 . 1 . . . . . . . . 6354 1 1077 . 1 1 114 114 GLY H H 1 8.91 0.01 . 1 . . . . . . . . 6354 1 1078 . 1 1 114 114 GLY CA C 13 46.9 0.20 . 1 . . . . . . . . 6354 1 1079 . 1 1 114 114 GLY C C 13 176.0 0.20 . 1 . . . . . . . . 6354 1 1080 . 1 1 114 114 GLY HA2 H 1 3.88 0.01 . 2 . . . . . . . . 6354 1 1081 . 1 1 115 115 ASP N N 15 120.7 0.25 . 1 . . . . . . . . 6354 1 1082 . 1 1 115 115 ASP H H 1 7.52 0.01 . 1 . . . . . . . . 6354 1 1083 . 1 1 115 115 ASP CB C 13 40.6 0.20 . 1 . . . . . . . . 6354 1 1084 . 1 1 115 115 ASP CA C 13 57.5 0.20 . 1 . . . . . . . . 6354 1 1085 . 1 1 115 115 ASP C C 13 176.8 0.20 . 1 . . . . . . . . 6354 1 1086 . 1 1 115 115 ASP HA H 1 4.18 0.01 . 1 . . . . . . . . 6354 1 1087 . 1 1 115 115 ASP HB2 H 1 2.91 0.01 . 2 . . . . . . . . 6354 1 1088 . 1 1 115 115 ASP HB3 H 1 2.31 0.01 . 2 . . . . . . . . 6354 1 1089 . 1 1 116 116 ALA N N 15 120.6 0.25 . 1 . . . . . . . . 6354 1 1090 . 1 1 116 116 ALA H H 1 6.79 0.01 . 1 . . . . . . . . 6354 1 1091 . 1 1 116 116 ALA CB C 13 19.6 0.20 . 1 . . . . . . . . 6354 1 1092 . 1 1 116 116 ALA CA C 13 54.5 0.20 . 1 . . . . . . . . 6354 1 1093 . 1 1 116 116 ALA C C 13 178.5 0.20 . 1 . . . . . . . . 6354 1 1094 . 1 1 116 116 ALA HA H 1 3.33 0.01 . 1 . . . . . . . . 6354 1 1095 . 1 1 116 116 ALA HB1 H 1 1.71 0.01 . 1 . . . . . . . . 6354 1 1096 . 1 1 116 116 ALA HB2 H 1 1.71 0.01 . 1 . . . . . . . . 6354 1 1097 . 1 1 116 116 ALA HB3 H 1 1.71 0.01 . 1 . . . . . . . . 6354 1 1098 . 1 1 117 117 PHE N N 15 119.2 0.25 . 1 . . . . . . . . 6354 1 1099 . 1 1 117 117 PHE H H 1 8.16 0.01 . 1 . . . . . . . . 6354 1 1100 . 1 1 117 117 PHE CB C 13 38.5 0.20 . 1 . . . . . . . . 6354 1 1101 . 1 1 117 117 PHE CA C 13 61.3 0.20 . 1 . . . . . . . . 6354 1 1102 . 1 1 117 117 PHE C C 13 177.2 0.20 . 1 . . . . . . . . 6354 1 1103 . 1 1 117 117 PHE HA H 1 4.34 0.01 . 1 . . . . . . . . 6354 1 1104 . 1 1 117 117 PHE HB2 H 1 3.34 0.01 . 2 . . . . . . . . 6354 1 1105 . 1 1 117 117 PHE HB3 H 1 3.23 0.01 . 2 . . . . . . . . 6354 1 1106 . 1 1 117 117 PHE HD1 H 1 7.36 0.01 . 3 . . . . . . . . 6354 1 1107 . 1 1 118 118 ASP N N 15 119.0 0.25 . 1 . . . . . . . . 6354 1 1108 . 1 1 118 118 ASP H H 1 8.08 0.01 . 1 . . . . . . . . 6354 1 1109 . 1 1 118 118 ASP CB C 13 40.9 0.20 . 1 . . . . . . . . 6354 1 1110 . 1 1 118 118 ASP CA C 13 57.0 0.20 . 1 . . . . . . . . 6354 1 1111 . 1 1 118 118 ASP C C 13 178.8 0.20 . 1 . . . . . . . . 6354 1 1112 . 1 1 118 118 ASP HA H 1 4.30 0.01 . 1 . . . . . . . . 6354 1 1113 . 1 1 118 118 ASP HB2 H 1 2.69 0.01 . 2 . . . . . . . . 6354 1 1114 . 1 1 119 119 PHE N N 15 122.0 0.25 . 1 . . . . . . . . 6354 1 1115 . 1 1 119 119 PHE H H 1 7.73 0.01 . 1 . . . . . . . . 6354 1 1116 . 1 1 119 119 PHE CB C 13 39.0 0.20 . 1 . . . . . . . . 6354 1 1117 . 1 1 119 119 PHE CA C 13 61.0 0.20 . 1 . . . . . . . . 6354 1 1118 . 1 1 119 119 PHE C C 13 174.5 0.20 . 1 . . . . . . . . 6354 1 1119 . 1 1 119 119 PHE HA H 1 3.93 0.01 . 1 . . . . . . . . 6354 1 1120 . 1 1 119 119 PHE HB2 H 1 3.05 0.01 . 2 . . . . . . . . 6354 1 1121 . 1 1 119 119 PHE HB3 H 1 2.58 0.01 . 2 . . . . . . . . 6354 1 1122 . 1 1 119 119 PHE HD1 H 1 6.65 0.01 . 3 . . . . . . . . 6354 1 1123 . 1 1 120 120 ASN N N 15 116.6 0.25 . 1 . . . . . . . . 6354 1 1124 . 1 1 120 120 ASN H H 1 7.66 0.01 . 1 . . . . . . . . 6354 1 1125 . 1 1 120 120 ASN CB C 13 39.4 0.20 . 1 . . . . . . . . 6354 1 1126 . 1 1 120 120 ASN CA C 13 56.5 0.20 . 1 . . . . . . . . 6354 1 1127 . 1 1 120 120 ASN C C 13 177.2 0.20 . 1 . . . . . . . . 6354 1 1128 . 1 1 120 120 ASN HA H 1 3.88 0.01 . 1 . . . . . . . . 6354 1 1129 . 1 1 120 120 ASN HB2 H 1 2.90 0.01 . 2 . . . . . . . . 6354 1 1130 . 1 1 121 121 VAL N N 15 118.2 0.25 . 1 . . . . . . . . 6354 1 1131 . 1 1 121 121 VAL H H 1 8.60 0.01 . 1 . . . . . . . . 6354 1 1132 . 1 1 121 121 VAL CB C 13 31.2 0.20 . 1 . . . . . . . . 6354 1 1133 . 1 1 121 121 VAL CA C 13 66.1 0.20 . 1 . . . . . . . . 6354 1 1134 . 1 1 121 121 VAL CG1 C 13 22.9 0.20 . 1 . . . . . . . . 6354 1 1135 . 1 1 121 121 VAL CG2 C 13 21.2 0.20 . 1 . . . . . . . . 6354 1 1136 . 1 1 121 121 VAL C C 13 177.5 0.20 . 1 . . . . . . . . 6354 1 1137 . 1 1 121 121 VAL HA H 1 3.47 0.01 . 1 . . . . . . . . 6354 1 1138 . 1 1 121 121 VAL HB H 1 1.80 0.01 . 1 . . . . . . . . 6354 1 1139 . 1 1 121 121 VAL HG11 H 1 0.78 0.01 . 2 . . . . . . . . 6354 1 1140 . 1 1 121 121 VAL HG12 H 1 0.78 0.01 . 2 . . . . . . . . 6354 1 1141 . 1 1 121 121 VAL HG13 H 1 0.78 0.01 . 2 . . . . . . . . 6354 1 1142 . 1 1 121 121 VAL HG21 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 1143 . 1 1 121 121 VAL HG22 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 1144 . 1 1 121 121 VAL HG23 H 1 0.66 0.01 . 2 . . . . . . . . 6354 1 1145 . 1 1 122 122 SER N N 15 115.5 0.25 . 1 . . . . . . . . 6354 1 1146 . 1 1 122 122 SER H H 1 7.89 0.01 . 1 . . . . . . . . 6354 1 1147 . 1 1 122 122 SER CB C 13 62.8 0.20 . 1 . . . . . . . . 6354 1 1148 . 1 1 122 122 SER CA C 13 62.5 0.20 . 1 . . . . . . . . 6354 1 1149 . 1 1 122 122 SER C C 13 176.8 0.20 . 1 . . . . . . . . 6354 1 1150 . 1 1 122 122 SER HA H 1 4.09 0.01 . 1 . . . . . . . . 6354 1 1151 . 1 1 122 122 SER HB2 H 1 3.74 0.01 . 2 . . . . . . . . 6354 1 1152 . 1 1 123 123 LEU N N 15 120.4 0.25 . 1 . . . . . . . . 6354 1 1153 . 1 1 123 123 LEU H H 1 6.76 0.01 . 1 . . . . . . . . 6354 1 1154 . 1 1 123 123 LEU CB C 13 41.5 0.20 . 1 . . . . . . . . 6354 1 1155 . 1 1 123 123 LEU CA C 13 57.5 0.20 . 1 . . . . . . . . 6354 1 1156 . 1 1 123 123 LEU CD1 C 13 25.4 0.20 . 2 . . . . . . . . 6354 1 1157 . 1 1 123 123 LEU CD2 C 13 23.1 0.20 . 2 . . . . . . . . 6354 1 1158 . 1 1 123 123 LEU C C 13 178.1 0.20 . 1 . . . . . . . . 6354 1 1159 . 1 1 123 123 LEU HA H 1 3.70 0.01 . 1 . . . . . . . . 6354 1 1160 . 1 1 123 123 LEU HD11 H 1 0.32 0.01 . 2 . . . . . . . . 6354 1 1161 . 1 1 123 123 LEU HD12 H 1 0.32 0.01 . 2 . . . . . . . . 6354 1 1162 . 1 1 123 123 LEU HD13 H 1 0.32 0.01 . 2 . . . . . . . . 6354 1 1163 . 1 1 123 123 LEU HD21 H 1 -0.04 0.01 . 2 . . . . . . . . 6354 1 1164 . 1 1 123 123 LEU HD22 H 1 -0.04 0.01 . 2 . . . . . . . . 6354 1 1165 . 1 1 123 123 LEU HD23 H 1 -0.04 0.01 . 2 . . . . . . . . 6354 1 1166 . 1 1 124 124 GLN N N 15 117.9 0.25 . 1 . . . . . . . . 6354 1 1167 . 1 1 124 124 GLN H H 1 8.21 0.01 . 1 . . . . . . . . 6354 1 1168 . 1 1 124 124 GLN CB C 13 28.8 0.20 . 1 . . . . . . . . 6354 1 1169 . 1 1 124 124 GLN CA C 13 59.6 0.20 . 1 . . . . . . . . 6354 1 1170 . 1 1 124 124 GLN CG C 13 34.3 0.20 . 1 . . . . . . . . 6354 1 1171 . 1 1 124 124 GLN C C 13 179.5 0.20 . 1 . . . . . . . . 6354 1 1172 . 1 1 124 124 GLN HA H 1 3.91 0.01 . 1 . . . . . . . . 6354 1 1173 . 1 1 124 124 GLN HB2 H 1 2.27 0.01 . 2 . . . . . . . . 6354 1 1174 . 1 1 124 124 GLN HG2 H 1 2.57 0.01 . 2 . . . . . . . . 6354 1 1175 . 1 1 125 125 ASP N N 15 118.8 0.25 . 1 . . . . . . . . 6354 1 1176 . 1 1 125 125 ASP H H 1 8.98 0.01 . 1 . . . . . . . . 6354 1 1177 . 1 1 125 125 ASP CB C 13 39.8 0.20 . 1 . . . . . . . . 6354 1 1178 . 1 1 125 125 ASP CA C 13 57.2 0.20 . 1 . . . . . . . . 6354 1 1179 . 1 1 125 125 ASP C C 13 178.8 0.20 . 1 . . . . . . . . 6354 1 1180 . 1 1 125 125 ASP HA H 1 4.36 0.01 . 1 . . . . . . . . 6354 1 1181 . 1 1 125 125 ASP HB2 H 1 2.79 0.01 . 2 . . . . . . . . 6354 1 1182 . 1 1 125 125 ASP HB3 H 1 2.54 0.01 . 2 . . . . . . . . 6354 1 1183 . 1 1 126 126 HIS N N 15 119.1 0.25 . 1 . . . . . . . . 6354 1 1184 . 1 1 126 126 HIS H H 1 7.40 0.01 . 1 . . . . . . . . 6354 1 1185 . 1 1 126 126 HIS CB C 13 29.8 0.20 . 1 . . . . . . . . 6354 1 1186 . 1 1 126 126 HIS CA C 13 60.0 0.20 . 1 . . . . . . . . 6354 1 1187 . 1 1 126 126 HIS C C 13 176.8 0.20 . 1 . . . . . . . . 6354 1 1188 . 1 1 126 126 HIS HA H 1 4.20 0.01 . 1 . . . . . . . . 6354 1 1189 . 1 1 126 126 HIS HB2 H 1 2.84 0.01 . 2 . . . . . . . . 6354 1 1190 . 1 1 126 126 HIS HB3 H 1 2.70 0.01 . 2 . . . . . . . . 6354 1 1191 . 1 1 127 127 PHE N N 15 112.9 0.25 . 1 . . . . . . . . 6354 1 1192 . 1 1 127 127 PHE H H 1 7.51 0.01 . 1 . . . . . . . . 6354 1 1193 . 1 1 127 127 PHE CB C 13 38.5 0.20 . 1 . . . . . . . . 6354 1 1194 . 1 1 127 127 PHE CA C 13 61.2 0.20 . 1 . . . . . . . . 6354 1 1195 . 1 1 127 127 PHE C C 13 176.4 0.20 . 1 . . . . . . . . 6354 1 1196 . 1 1 127 127 PHE HA H 1 4.04 0.01 . 1 . . . . . . . . 6354 1 1197 . 1 1 127 127 PHE HB2 H 1 3.49 0.01 . 2 . . . . . . . . 6354 1 1198 . 1 1 127 127 PHE HB3 H 1 2.80 0.01 . 2 . . . . . . . . 6354 1 1199 . 1 1 128 128 LYS N N 15 120.6 0.25 . 1 . . . . . . . . 6354 1 1200 . 1 1 128 128 LYS H H 1 7.69 0.01 . 1 . . . . . . . . 6354 1 1201 . 1 1 128 128 LYS CB C 13 31.9 0.20 . 1 . . . . . . . . 6354 1 1202 . 1 1 128 128 LYS CA C 13 58.5 0.20 . 1 . . . . . . . . 6354 1 1203 . 1 1 128 128 LYS CG C 13 24.4 0.20 . 1 . . . . . . . . 6354 1 1204 . 1 1 128 128 LYS CD C 13 29.2 0.20 . 1 . . . . . . . . 6354 1 1205 . 1 1 128 128 LYS CE C 13 42.0 0.20 . 1 . . . . . . . . 6354 1 1206 . 1 1 128 128 LYS C C 13 177.0 0.20 . 1 . . . . . . . . 6354 1 1207 . 1 1 128 128 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 6354 1 1208 . 1 1 128 128 LYS HB2 H 1 1.80 0.01 . 2 . . . . . . . . 6354 1 1209 . 1 1 128 128 LYS HG2 H 1 1.21 0.01 . 2 . . . . . . . . 6354 1 1210 . 1 1 128 128 LYS HD2 H 1 1.57 0.01 . 2 . . . . . . . . 6354 1 1211 . 1 1 128 128 LYS HE2 H 1 2.80 0.01 . 2 . . . . . . . . 6354 1 1212 . 1 1 129 129 TRP N N 15 118.5 0.25 . 1 . . . . . . . . 6354 1 1213 . 1 1 129 129 TRP H H 1 7.56 0.01 . 1 . . . . . . . . 6354 1 1214 . 1 1 129 129 TRP NE1 N 15 129.0 0.25 . 1 . . . . . . . . 6354 1 1215 . 1 1 129 129 TRP HE1 H 1 10.00 0.01 . 1 . . . . . . . . 6354 1 1216 . 1 1 129 129 TRP CB C 13 28.9 0.20 . 1 . . . . . . . . 6354 1 1217 . 1 1 129 129 TRP CA C 13 57.6 0.20 . 1 . . . . . . . . 6354 1 1218 . 1 1 129 129 TRP C C 13 176.9 0.20 . 1 . . . . . . . . 6354 1 1219 . 1 1 129 129 TRP HA H 1 4.55 0.01 . 1 . . . . . . . . 6354 1 1220 . 1 1 129 129 TRP HB2 H 1 3.34 0.01 . 2 . . . . . . . . 6354 1 1221 . 1 1 129 129 TRP HB3 H 1 3.20 0.01 . 2 . . . . . . . . 6354 1 1222 . 1 1 129 129 TRP HD1 H 1 7.23 0.01 . 1 . . . . . . . . 6354 1 1223 . 1 1 130 130 VAL N N 15 120.2 0.25 . 1 . . . . . . . . 6354 1 1224 . 1 1 130 130 VAL H H 1 7.51 0.01 . 1 . . . . . . . . 6354 1 1225 . 1 1 130 130 VAL CB C 13 32.2 0.20 . 1 . . . . . . . . 6354 1 1226 . 1 1 130 130 VAL CA C 13 63.1 0.20 . 1 . . . . . . . . 6354 1 1227 . 1 1 130 130 VAL CG1 C 13 21.0 0.20 . 1 . . . . . . . . 6354 1 1228 . 1 1 130 130 VAL CG2 C 13 20.1 0.20 . 1 . . . . . . . . 6354 1 1229 . 1 1 130 130 VAL C C 13 175.8 0.20 . 1 . . . . . . . . 6354 1 1230 . 1 1 130 130 VAL HA H 1 3.66 0.01 . 1 . . . . . . . . 6354 1 1231 . 1 1 130 130 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 6354 1 1232 . 1 1 130 130 VAL HG11 H 1 0.82 0.01 . 2 . . . . . . . . 6354 1 1233 . 1 1 130 130 VAL HG12 H 1 0.82 0.01 . 2 . . . . . . . . 6354 1 1234 . 1 1 130 130 VAL HG13 H 1 0.82 0.01 . 2 . . . . . . . . 6354 1 1235 . 1 1 130 130 VAL HG21 H 1 0.64 0.01 . 2 . . . . . . . . 6354 1 1236 . 1 1 130 130 VAL HG22 H 1 0.64 0.01 . 2 . . . . . . . . 6354 1 1237 . 1 1 130 130 VAL HG23 H 1 0.64 0.01 . 2 . . . . . . . . 6354 1 1238 . 1 1 131 131 LYS N N 15 123.0 0.25 . 1 . . . . . . . . 6354 1 1239 . 1 1 131 131 LYS H H 1 7.91 0.01 . 1 . . . . . . . . 6354 1 1240 . 1 1 131 131 LYS CB C 13 32.7 0.20 . 1 . . . . . . . . 6354 1 1241 . 1 1 131 131 LYS CA C 13 56.2 0.20 . 1 . . . . . . . . 6354 1 1242 . 1 1 131 131 LYS CG C 13 24.7 0.20 . 1 . . . . . . . . 6354 1 1243 . 1 1 131 131 LYS CD C 13 29.1 0.20 . 1 . . . . . . . . 6354 1 1244 . 1 1 131 131 LYS CE C 13 42.1 0.20 . 1 . . . . . . . . 6354 1 1245 . 1 1 131 131 LYS C C 13 176.1 0.20 . 1 . . . . . . . . 6354 1 1246 . 1 1 131 131 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 6354 1 1247 . 1 1 131 131 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 6354 1 1248 . 1 1 131 131 LYS HG2 H 1 1.44 0.01 . 2 . . . . . . . . 6354 1 1249 . 1 1 131 131 LYS HD2 H 1 1.73 0.01 . 2 . . . . . . . . 6354 1 1250 . 1 1 131 131 LYS HE2 H 1 3.00 0.01 . 2 . . . . . . . . 6354 1 1251 . 1 1 132 132 GLN N N 15 122.0 0.25 . 1 . . . . . . . . 6354 1 1252 . 1 1 132 132 GLN H H 1 8.18 0.01 . 1 . . . . . . . . 6354 1 1253 . 1 1 132 132 GLN CB C 13 29.0 0.20 . 1 . . . . . . . . 6354 1 1254 . 1 1 132 132 GLN CA C 13 55.8 0.20 . 1 . . . . . . . . 6354 1 1255 . 1 1 132 132 GLN CG C 13 33.7 0.20 . 1 . . . . . . . . 6354 1 1256 . 1 1 132 132 GLN C C 13 174.8 0.20 . 1 . . . . . . . . 6354 1 1257 . 1 1 132 132 GLN HA H 1 4.29 0.01 . 1 . . . . . . . . 6354 1 1258 . 1 1 132 132 GLN HB2 H 1 2.05 0.01 . 2 . . . . . . . . 6354 1 1259 . 1 1 132 132 GLN HG2 H 1 2.31 0.01 . 2 . . . . . . . . 6354 1 1260 . 1 1 133 133 GLU N N 15 127.1 0.25 . 1 . . . . . . . . 6354 1 1261 . 1 1 133 133 GLU H H 1 7.93 0.01 . 1 . . . . . . . . 6354 1 1262 . 1 1 133 133 GLU CB C 13 30.8 0.20 . 1 . . . . . . . . 6354 1 1263 . 1 1 133 133 GLU CA C 13 57.9 0.20 . 1 . . . . . . . . 6354 1 1264 . 1 1 133 133 GLU C C 13 180.9 0.20 . 1 . . . . . . . . 6354 1 1265 . 1 1 133 133 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 6354 1 1266 . 1 1 133 133 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 6354 1 1267 . 1 1 133 133 GLU HG2 H 1 1.86 0.01 . 2 . . . . . . . . 6354 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_D_values_set_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode D_values_set_1 _RDC_list.Entry_ID 6354 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $Ex-cond_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID . . 3 $sample_3 . 6354 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DNH . 1 1 2 2 ALA N N 15 . . 1 1 2 2 ALA H H 1 . 0.9 . . . . . . . . . . . . . . 6354 1 2 1DNH . 1 1 3 3 ALA N N 15 . . 1 1 3 3 ALA H H 1 . 3.2 . . . . . . . . . . . . . . 6354 1 3 1DNH . 1 1 4 4 GLU N N 15 . . 1 1 4 4 GLU H H 1 . 1.6 . . . . . . . . . . . . . . 6354 1 4 1DNH . 1 1 5 5 LEU N N 15 . . 1 1 5 5 LEU H H 1 . -0.9 . . . . . . . . . . . . . . 6354 1 5 1DNH . 1 1 6 6 GLU N N 15 . . 1 1 6 6 GLU H H 1 . -1.8 . . . . . . . . . . . . . . 6354 1 6 1DNH . 1 1 7 7 TYR N N 15 . . 1 1 7 7 TYR H H 1 . 6.4 . . . . . . . . . . . . . . 6354 1 7 1DNH . 1 1 8 8 GLU N N 15 . . 1 1 8 8 GLU H H 1 . -2.1 . . . . . . . . . . . . . . 6354 1 8 1DNH . 1 1 9 9 SER N N 15 . . 1 1 9 9 SER H H 1 . -13.6 . . . . . . . . . . . . . . 6354 1 9 1DNH . 1 1 10 10 VAL N N 15 . . 1 1 10 10 VAL H H 1 . -25.2 . . . . . . . . . . . . . . 6354 1 10 1DNH . 1 1 11 11 LEU N N 15 . . 1 1 11 11 LEU H H 1 . -13.1 . . . . . . . . . . . . . . 6354 1 11 1DNH . 1 1 12 12 CYS N N 15 . . 1 1 12 12 CYS H H 1 . -1.5 . . . . . . . . . . . . . . 6354 1 12 1DNH . 1 1 13 13 VAL N N 15 . . 1 1 13 13 VAL H H 1 . -6.6 . . . . . . . . . . . . . . 6354 1 13 1DNH . 1 1 14 14 LYS N N 15 . . 1 1 14 14 LYS H H 1 . -6.1 . . . . . . . . . . . . . . 6354 1 14 1DNH . 1 1 16 16 ASP N N 15 . . 1 1 16 16 ASP H H 1 . 13.6 . . . . . . . . . . . . . . 6354 1 15 1DNH . 1 1 17 17 VAL N N 15 . . 1 1 17 17 VAL H H 1 . 8.8 . . . . . . . . . . . . . . 6354 1 16 1DNH . 1 1 18 18 SER N N 15 . . 1 1 18 18 SER H H 1 . 13.1 . . . . . . . . . . . . . . 6354 1 17 1DNH . 1 1 19 19 VAL N N 15 . . 1 1 19 19 VAL H H 1 . 18.8 . . . . . . . . . . . . . . 6354 1 18 1DNH . 1 1 20 20 TYR N N 15 . . 1 1 20 20 TYR H H 1 . 24.5 . . . . . . . . . . . . . . 6354 1 19 1DNH . 1 1 21 21 ARG N N 15 . . 1 1 21 21 ARG H H 1 . 22.3 . . . . . . . . . . . . . . 6354 1 20 1DNH . 1 1 22 22 ILE N N 15 . . 1 1 22 22 ILE H H 1 . 9.7 . . . . . . . . . . . . . . 6354 1 21 1DNH . 1 1 25 25 ARG N N 15 . . 1 1 25 25 ARG H H 1 . 3.7 . . . . . . . . . . . . . . 6354 1 22 1DNH . 1 1 29 29 ARG N N 15 . . 1 1 29 29 ARG H H 1 . 3.5 . . . . . . . . . . . . . . 6354 1 23 1DNH . 1 1 30 30 GLY N N 15 . . 1 1 30 30 GLY H H 1 . 0.5 . . . . . . . . . . . . . . 6354 1 24 1DNH . 1 1 31 31 TYR N N 15 . . 1 1 31 31 TYR H H 1 . 6.0 . . . . . . . . . . . . . . 6354 1 25 1DNH . 1 1 32 32 ARG N N 15 . . 1 1 32 32 ARG H H 1 . -0.7 . . . . . . . . . . . . . . 6354 1 26 1DNH . 1 1 33 33 ALA N N 15 . . 1 1 33 33 ALA H H 1 . 7.5 . . . . . . . . . . . . . . 6354 1 27 1DNH . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER H H 1 . 19.7 . . . . . . . . . . . . . . 6354 1 28 1DNH . 1 1 35 35 ASP N N 15 . . 1 1 35 35 ASP H H 1 . 19.0 . . . . . . . . . . . . . . 6354 1 29 1DNH . 1 1 36 36 TRP N N 15 . . 1 1 36 36 TRP H H 1 . 0.4 . . . . . . . . . . . . . . 6354 1 30 1DNH . 1 1 37 37 LYS N N 15 . . 1 1 37 37 LYS H H 1 . 5.6 . . . . . . . . . . . . . . 6354 1 31 1DNH . 1 1 38 38 LEU N N 15 . . 1 1 38 38 LEU H H 1 . -6.1 . . . . . . . . . . . . . . 6354 1 32 1DNH . 1 1 39 39 ASP N N 15 . . 1 1 39 39 ASP H H 1 . -24.4 . . . . . . . . . . . . . . 6354 1 33 1DNH . 1 1 40 40 GLN N N 15 . . 1 1 40 40 GLN H H 1 . 4.0 . . . . . . . . . . . . . . 6354 1 34 1DNH . 1 1 42 42 ASP N N 15 . . 1 1 42 42 ASP H H 1 . 19.8 . . . . . . . . . . . . . . 6354 1 35 1DNH . 1 1 43 43 TRP N N 15 . . 1 1 43 43 TRP H H 1 . 10.4 . . . . . . . . . . . . . . 6354 1 36 1DNH . 1 1 44 44 THR N N 15 . . 1 1 44 44 THR H H 1 . 11.3 . . . . . . . . . . . . . . 6354 1 37 1DNH . 1 1 45 45 GLY N N 15 . . 1 1 45 45 GLY H H 1 . 5.4 . . . . . . . . . . . . . . 6354 1 38 1DNH . 1 1 46 46 ARG N N 15 . . 1 1 46 46 ARG H H 1 . 2.4 . . . . . . . . . . . . . . 6354 1 39 1DNH . 1 1 47 47 LEU N N 15 . . 1 1 47 47 LEU H H 1 . -10.3 . . . . . . . . . . . . . . 6354 1 40 1DNH . 1 1 48 48 ARG N N 15 . . 1 1 48 48 ARG H H 1 . -18.4 . . . . . . . . . . . . . . 6354 1 41 1DNH . 1 1 49 49 ILE N N 15 . . 1 1 49 49 ILE H H 1 . -22.2 . . . . . . . . . . . . . . 6354 1 42 1DNH . 1 1 50 50 THR N N 15 . . 1 1 50 50 THR H H 1 . -27.0 . . . . . . . . . . . . . . 6354 1 43 1DNH . 1 1 51 51 SER N N 15 . . 1 1 51 51 SER H H 1 . -25.7 . . . . . . . . . . . . . . 6354 1 44 1DNH . 1 1 52 52 LYS N N 15 . . 1 1 52 52 LYS H H 1 . -22.1 . . . . . . . . . . . . . . 6354 1 45 1DNH . 1 1 53 53 GLY N N 15 . . 1 1 53 53 GLY H H 1 . -22.7 . . . . . . . . . . . . . . 6354 1 46 1DNH . 1 1 54 54 LYS N N 15 . . 1 1 54 54 LYS H H 1 . 1.2 . . . . . . . . . . . . . . 6354 1 47 1DNH . 1 1 55 55 ILE N N 15 . . 1 1 55 55 ILE H H 1 . -8.6 . . . . . . . . . . . . . . 6354 1 48 1DNH . 1 1 56 56 ALA N N 15 . . 1 1 56 56 ALA H H 1 . -25.8 . . . . . . . . . . . . . . 6354 1 49 1DNH . 1 1 57 57 TYR N N 15 . . 1 1 57 57 TYR H H 1 . -29.2 . . . . . . . . . . . . . . 6354 1 50 1DNH . 1 1 58 58 ILE N N 15 . . 1 1 58 58 ILE H H 1 . -23.2 . . . . . . . . . . . . . . 6354 1 51 1DNH . 1 1 59 59 LYS N N 15 . . 1 1 59 59 LYS H H 1 . -13.9 . . . . . . . . . . . . . . 6354 1 52 1DNH . 1 1 60 60 LEU N N 15 . . 1 1 60 60 LEU H H 1 . -9.1 . . . . . . . . . . . . . . 6354 1 53 1DNH . 1 1 61 61 GLU N N 15 . . 1 1 61 61 GLU H H 1 . 0.4 . . . . . . . . . . . . . . 6354 1 54 1DNH . 1 1 62 62 ASP N N 15 . . 1 1 62 62 ASP H H 1 . 3.0 . . . . . . . . . . . . . . 6354 1 55 1DNH . 1 1 63 63 LYS N N 15 . . 1 1 63 63 LYS H H 1 . -12.6 . . . . . . . . . . . . . . 6354 1 56 1DNH . 1 1 64 64 VAL N N 15 . . 1 1 64 64 VAL H H 1 . -23.8 . . . . . . . . . . . . . . 6354 1 57 1DNH . 1 1 65 65 SER N N 15 . . 1 1 65 65 SER H H 1 . -18.4 . . . . . . . . . . . . . . 6354 1 58 1DNH . 1 1 66 66 GLY N N 15 . . 1 1 66 66 GLY H H 1 . 4.5 . . . . . . . . . . . . . . 6354 1 59 1DNH . 1 1 67 67 GLU N N 15 . . 1 1 67 67 GLU H H 1 . 19.5 . . . . . . . . . . . . . . 6354 1 60 1DNH . 1 1 68 68 LEU N N 15 . . 1 1 68 68 LEU H H 1 . 5.5 . . . . . . . . . . . . . . 6354 1 61 1DNH . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . -1.6 . . . . . . . . . . . . . . 6354 1 62 1DNH . 1 1 70 70 ALA N N 15 . . 1 1 70 70 ALA H H 1 . -19.1 . . . . . . . . . . . . . . 6354 1 63 1DNH . 1 1 71 71 GLN N N 15 . . 1 1 71 71 GLN H H 1 . -17.7 . . . . . . . . . . . . . . 6354 1 64 1DNH . 1 1 72 72 ALA N N 15 . . 1 1 72 72 ALA H H 1 . -21.5 . . . . . . . . . . . . . . 6354 1 65 1DNH . 1 1 74 74 VAL N N 15 . . 1 1 74 74 VAL H H 1 . -24.7 . . . . . . . . . . . . . . 6354 1 66 1DNH . 1 1 75 75 GLU N N 15 . . 1 1 75 75 GLU H H 1 . -19.0 . . . . . . . . . . . . . . 6354 1 67 1DNH . 1 1 76 76 GLN N N 15 . . 1 1 76 76 GLN H H 1 . 17.2 . . . . . . . . . . . . . . 6354 1 68 1DNH . 1 1 77 77 TYR N N 15 . . 1 1 77 77 TYR H H 1 . 13.9 . . . . . . . . . . . . . . 6354 1 69 1DNH . 1 1 79 79 GLY N N 15 . . 1 1 79 79 GLY H H 1 . 17.4 . . . . . . . . . . . . . . 6354 1 70 1DNH . 1 1 80 80 ILE N N 15 . . 1 1 80 80 ILE H H 1 . 14.0 . . . . . . . . . . . . . . 6354 1 71 1DNH . 1 1 81 81 ALA N N 15 . . 1 1 81 81 ALA H H 1 . 14.5 . . . . . . . . . . . . . . 6354 1 72 1DNH . 1 1 82 82 VAL N N 15 . . 1 1 82 82 VAL H H 1 . 14.4 . . . . . . . . . . . . . . 6354 1 73 1DNH . 1 1 83 83 GLU N N 15 . . 1 1 83 83 GLU H H 1 . 18.9 . . . . . . . . . . . . . . 6354 1 74 1DNH . 1 1 84 84 THR N N 15 . . 1 1 84 84 THR H H 1 . 16.2 . . . . . . . . . . . . . . 6354 1 75 1DNH . 1 1 85 85 VAL N N 15 . . 1 1 85 85 VAL H H 1 . -22.0 . . . . . . . . . . . . . . 6354 1 76 1DNH . 1 1 86 86 THR N N 15 . . 1 1 86 86 THR H H 1 . -9.9 . . . . . . . . . . . . . . 6354 1 77 1DNH . 1 1 87 87 ASP N N 15 . . 1 1 87 87 ASP H H 1 . 7.7 . . . . . . . . . . . . . . 6354 1 78 1DNH . 1 1 88 88 SER N N 15 . . 1 1 88 88 SER H H 1 . 8.5 . . . . . . . . . . . . . . 6354 1 79 1DNH . 1 1 90 90 ARG N N 15 . . 1 1 90 90 ARG H H 1 . -2.3 . . . . . . . . . . . . . . 6354 1 80 1DNH . 1 1 91 91 TYR N N 15 . . 1 1 91 91 TYR H H 1 . 6.5 . . . . . . . . . . . . . . 6354 1 81 1DNH . 1 1 92 92 PHE N N 15 . . 1 1 92 92 PHE H H 1 . 16.7 . . . . . . . . . . . . . . 6354 1 82 1DNH . 1 1 93 93 VAL N N 15 . . 1 1 93 93 VAL H H 1 . 17.9 . . . . . . . . . . . . . . 6354 1 83 1DNH . 1 1 94 94 ILE N N 15 . . 1 1 94 94 ILE H H 1 . 20.6 . . . . . . . . . . . . . . 6354 1 84 1DNH . 1 1 95 95 ARG N N 15 . . 1 1 95 95 ARG H H 1 . 10.3 . . . . . . . . . . . . . . 6354 1 85 1DNH . 1 1 96 96 ILE N N 15 . . 1 1 96 96 ILE H H 1 . -9.4 . . . . . . . . . . . . . . 6354 1 86 1DNH . 1 1 97 97 GLN N N 15 . . 1 1 97 97 GLN H H 1 . -27.6 . . . . . . . . . . . . . . 6354 1 87 1DNH . 1 1 98 98 ASP N N 15 . . 1 1 98 98 ASP H H 1 . -23.7 . . . . . . . . . . . . . . 6354 1 88 1DNH . 1 1 100 100 THR N N 15 . . 1 1 100 100 THR H H 1 . 10.5 . . . . . . . . . . . . . . 6354 1 89 1DNH . 1 1 101 101 GLY N N 15 . . 1 1 101 101 GLY H H 1 . -13.7 . . . . . . . . . . . . . . 6354 1 90 1DNH . 1 1 102 102 ARG N N 15 . . 1 1 102 102 ARG H H 1 . -1.9 . . . . . . . . . . . . . . 6354 1 91 1DNH . 1 1 103 103 SER N N 15 . . 1 1 103 103 SER H H 1 . -18.7 . . . . . . . . . . . . . . 6354 1 92 1DNH . 1 1 104 104 ALA N N 15 . . 1 1 104 104 ALA H H 1 . -20.3 . . . . . . . . . . . . . . 6354 1 93 1DNH . 1 1 105 105 PHE N N 15 . . 1 1 105 105 PHE H H 1 . -16.3 . . . . . . . . . . . . . . 6354 1 94 1DNH . 1 1 106 106 ILE N N 15 . . 1 1 106 106 ILE H H 1 . 7.8 . . . . . . . . . . . . . . 6354 1 95 1DNH . 1 1 107 107 GLY N N 15 . . 1 1 107 107 GLY H H 1 . 19.0 . . . . . . . . . . . . . . 6354 1 96 1DNH . 1 1 108 108 ILE N N 15 . . 1 1 108 108 ILE H H 1 . 13.3 . . . . . . . . . . . . . . 6354 1 97 1DNH . 1 1 109 109 GLY N N 15 . . 1 1 109 109 GLY H H 1 . 9.7 . . . . . . . . . . . . . . 6354 1 98 1DNH . 1 1 110 110 PHE N N 15 . . 1 1 110 110 PHE H H 1 . 0.7 . . . . . . . . . . . . . . 6354 1 99 1DNH . 1 1 111 111 THR N N 15 . . 1 1 111 111 THR H H 1 . -4.3 . . . . . . . . . . . . . . 6354 1 100 1DNH . 1 1 112 112 ASP N N 15 . . 1 1 112 112 ASP H H 1 . 3.2 . . . . . . . . . . . . . . 6354 1 101 1DNH . 1 1 113 113 ARG N N 15 . . 1 1 113 113 ARG H H 1 . 3.5 . . . . . . . . . . . . . . 6354 1 102 1DNH . 1 1 114 114 GLY N N 15 . . 1 1 114 114 GLY H H 1 . 13.6 . . . . . . . . . . . . . . 6354 1 103 1DNH . 1 1 115 115 ASP N N 15 . . 1 1 115 115 ASP H H 1 . 14.8 . . . . . . . . . . . . . . 6354 1 104 1DNH . 1 1 116 116 ALA N N 15 . . 1 1 116 116 ALA H H 1 . 12.8 . . . . . . . . . . . . . . 6354 1 105 1DNH . 1 1 117 117 PHE N N 15 . . 1 1 117 117 PHE H H 1 . 14.4 . . . . . . . . . . . . . . 6354 1 106 1DNH . 1 1 118 118 ASP N N 15 . . 1 1 118 118 ASP H H 1 . 19.9 . . . . . . . . . . . . . . 6354 1 107 1DNH . 1 1 119 119 PHE N N 15 . . 1 1 119 119 PHE H H 1 . 16.1 . . . . . . . . . . . . . . 6354 1 108 1DNH . 1 1 120 120 ASN N N 15 . . 1 1 120 120 ASN H H 1 . 13.6 . . . . . . . . . . . . . . 6354 1 109 1DNH . 1 1 121 121 VAL N N 15 . . 1 1 121 121 VAL H H 1 . 17.4 . . . . . . . . . . . . . . 6354 1 110 1DNH . 1 1 122 122 SER N N 15 . . 1 1 122 122 SER H H 1 . 19.3 . . . . . . . . . . . . . . 6354 1 111 1DNH . 1 1 123 123 LEU N N 15 . . 1 1 123 123 LEU H H 1 . 13.1 . . . . . . . . . . . . . . 6354 1 112 1DNH . 1 1 124 124 GLN N N 15 . . 1 1 124 124 GLN H H 1 . 14.9 . . . . . . . . . . . . . . 6354 1 113 1DNH . 1 1 125 125 ASP N N 15 . . 1 1 125 125 ASP H H 1 . 20.5 . . . . . . . . . . . . . . 6354 1 114 1DNH . 1 1 126 126 HIS N N 15 . . 1 1 126 126 HIS H H 1 . 15.3 . . . . . . . . . . . . . . 6354 1 115 1DNH . 1 1 127 127 PHE N N 15 . . 1 1 127 127 PHE H H 1 . 16.7 . . . . . . . . . . . . . . 6354 1 116 1DNH . 1 1 128 128 LYS N N 15 . . 1 1 128 128 LYS H H 1 . 7.6 . . . . . . . . . . . . . . 6354 1 117 1DNH . 1 1 129 129 TRP N N 15 . . 1 1 129 129 TRP H H 1 . 15.0 . . . . . . . . . . . . . . 6354 1 118 1DNH . 1 1 130 130 VAL N N 15 . . 1 1 130 130 VAL H H 1 . 6.8 . . . . . . . . . . . . . . 6354 1 119 1DNH . 1 1 131 131 LYS N N 15 . . 1 1 131 131 LYS H H 1 . 3.7 . . . . . . . . . . . . . . 6354 1 120 1DNH . 1 1 132 132 GLN N N 15 . . 1 1 132 132 GLN H H 1 . 2.1 . . . . . . . . . . . . . . 6354 1 121 1DNH . 1 1 133 133 GLU N N 15 . . 1 1 133 133 GLU H H 1 . 1.3 . . . . . . . . . . . . . . 6354 1 stop_ save_