data_6339 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6339 _Entry.Title ; Solution structure of AT1g01470 from Arabidopsis Thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-06 _Entry.Accession_date 2004-10-06 _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 Shanteri Singh . . . 6339 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6339 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 937 6339 '13C chemical shifts' 580 6339 '15N chemical shifts' 146 6339 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-07-07 2004-10-13 update BMRB 'added time domain data' 6339 1 . . 2004-10-06 2004-10-13 original author 'original release' 6339 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6339 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of AT1g01470 from Arabidopsis Thaliana' _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details 'LEA protein' 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 Shanteri Singh . . . 6339 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Structural Genomics' 6339 1 'Protein Structure Initiative' 6339 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AT1g01470 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AT1g01470 _Assembly.Entry_ID 6339 _Assembly.ID 1 _Assembly.Name 'AT1g01470 monomer' _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 6339 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 'AT1g01470 monomer' 1 $AT1g01470_monomer . . . native . . . . . 6339 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'AT1g01470 monomer' system 6339 1 AT1g01470 abbreviation 6339 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AT1g01470_monomer _Entity.Sf_category entity _Entity.Sf_framecode AT1g01470_monomer _Entity.Entry_ID 6339 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Arabidopsis thaliana' _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 ; MASLLDKAKDFVADKLTAIP KPEGSVTDVDLKDVNRDSVE YLAKVSVTNPYSHSIPICEI SFTFHSAGREIGKGKIPDPG SLKAKDMTALDIPVVVPYSI LFNLARDVGVDWDIDYELQI GLTIDLPVVGEFTIPISSKG EIKLPTFKDFF ; _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 151 _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 . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XO8 . "Solution Structure Of At1g01470 From Arabidopsis Thaliana" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 2 no EMBL CAA71174 . "putative desication related protein LEA14 [Arabidopsis thaliana]" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 3 no EMBL CAA73311 . "LEA protein [Arabidopsis thaliana]" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 4 no GB AAF81307 . "Contains similarity to a late embryogenesis abundant protein LEA14-A from Gossypium hirsutum gi|1170745. ESTs gb|T88650, gb|AI9" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 5 no GB AAL75906 . "At1g01470/F22L4_2 [Arabidopsis thaliana]" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 6 no GB AAT71983 . "At1g01470 [Arabidopsis thaliana]" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 7 no GB AEE27291 . "putative desiccation-related protein LEA14 [Arabidopsis thaliana]" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 8 no GB EOA38647 . "hypothetical protein CARUB_v10010557mg [Capsella rubella]" . . . . . 100.00 151 98.68 99.34 4.95e-101 . . . . 6339 1 9 no REF NP_171654 . "putative desiccation-related protein LEA14 [Arabidopsis thaliana]" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 10 no REF XP_006305749 . "hypothetical protein CARUB_v10010557mg [Capsella rubella]" . . . . . 100.00 151 98.68 99.34 4.95e-101 . . . . 6339 1 11 no SP O03983 . "RecName: Full=Probable desiccation-related protein LEA14 [Arabidopsis thaliana]" . . . . . 100.00 151 100.00 100.00 4.58e-102 . . . . 6339 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Arabidopsis thaliana' common 6339 1 'Arabidopsis thaliana' abbreviation 6339 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 . 6339 1 2 . ALA . 6339 1 3 . SER . 6339 1 4 . LEU . 6339 1 5 . LEU . 6339 1 6 . ASP . 6339 1 7 . LYS . 6339 1 8 . ALA . 6339 1 9 . LYS . 6339 1 10 . ASP . 6339 1 11 . PHE . 6339 1 12 . VAL . 6339 1 13 . ALA . 6339 1 14 . ASP . 6339 1 15 . LYS . 6339 1 16 . LEU . 6339 1 17 . THR . 6339 1 18 . ALA . 6339 1 19 . ILE . 6339 1 20 . PRO . 6339 1 21 . LYS . 6339 1 22 . PRO . 6339 1 23 . GLU . 6339 1 24 . GLY . 6339 1 25 . SER . 6339 1 26 . VAL . 6339 1 27 . THR . 6339 1 28 . ASP . 6339 1 29 . VAL . 6339 1 30 . ASP . 6339 1 31 . LEU . 6339 1 32 . LYS . 6339 1 33 . ASP . 6339 1 34 . VAL . 6339 1 35 . ASN . 6339 1 36 . ARG . 6339 1 37 . ASP . 6339 1 38 . SER . 6339 1 39 . VAL . 6339 1 40 . GLU . 6339 1 41 . TYR . 6339 1 42 . LEU . 6339 1 43 . ALA . 6339 1 44 . LYS . 6339 1 45 . VAL . 6339 1 46 . SER . 6339 1 47 . VAL . 6339 1 48 . THR . 6339 1 49 . ASN . 6339 1 50 . PRO . 6339 1 51 . TYR . 6339 1 52 . SER . 6339 1 53 . HIS . 6339 1 54 . SER . 6339 1 55 . ILE . 6339 1 56 . PRO . 6339 1 57 . ILE . 6339 1 58 . CYS . 6339 1 59 . GLU . 6339 1 60 . ILE . 6339 1 61 . SER . 6339 1 62 . PHE . 6339 1 63 . THR . 6339 1 64 . PHE . 6339 1 65 . HIS . 6339 1 66 . SER . 6339 1 67 . ALA . 6339 1 68 . GLY . 6339 1 69 . ARG . 6339 1 70 . GLU . 6339 1 71 . ILE . 6339 1 72 . GLY . 6339 1 73 . LYS . 6339 1 74 . GLY . 6339 1 75 . LYS . 6339 1 76 . ILE . 6339 1 77 . PRO . 6339 1 78 . ASP . 6339 1 79 . PRO . 6339 1 80 . GLY . 6339 1 81 . SER . 6339 1 82 . LEU . 6339 1 83 . LYS . 6339 1 84 . ALA . 6339 1 85 . LYS . 6339 1 86 . ASP . 6339 1 87 . MET . 6339 1 88 . THR . 6339 1 89 . ALA . 6339 1 90 . LEU . 6339 1 91 . ASP . 6339 1 92 . ILE . 6339 1 93 . PRO . 6339 1 94 . VAL . 6339 1 95 . VAL . 6339 1 96 . VAL . 6339 1 97 . PRO . 6339 1 98 . TYR . 6339 1 99 . SER . 6339 1 100 . ILE . 6339 1 101 . LEU . 6339 1 102 . PHE . 6339 1 103 . ASN . 6339 1 104 . LEU . 6339 1 105 . ALA . 6339 1 106 . ARG . 6339 1 107 . ASP . 6339 1 108 . VAL . 6339 1 109 . GLY . 6339 1 110 . VAL . 6339 1 111 . ASP . 6339 1 112 . TRP . 6339 1 113 . ASP . 6339 1 114 . ILE . 6339 1 115 . ASP . 6339 1 116 . TYR . 6339 1 117 . GLU . 6339 1 118 . LEU . 6339 1 119 . GLN . 6339 1 120 . ILE . 6339 1 121 . GLY . 6339 1 122 . LEU . 6339 1 123 . THR . 6339 1 124 . ILE . 6339 1 125 . ASP . 6339 1 126 . LEU . 6339 1 127 . PRO . 6339 1 128 . VAL . 6339 1 129 . VAL . 6339 1 130 . GLY . 6339 1 131 . GLU . 6339 1 132 . PHE . 6339 1 133 . THR . 6339 1 134 . ILE . 6339 1 135 . PRO . 6339 1 136 . ILE . 6339 1 137 . SER . 6339 1 138 . SER . 6339 1 139 . LYS . 6339 1 140 . GLY . 6339 1 141 . GLU . 6339 1 142 . ILE . 6339 1 143 . LYS . 6339 1 144 . LEU . 6339 1 145 . PRO . 6339 1 146 . THR . 6339 1 147 . PHE . 6339 1 148 . LYS . 6339 1 149 . ASP . 6339 1 150 . PHE . 6339 1 151 . PHE . 6339 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 6339 1 . ALA 2 2 6339 1 . SER 3 3 6339 1 . LEU 4 4 6339 1 . LEU 5 5 6339 1 . ASP 6 6 6339 1 . LYS 7 7 6339 1 . ALA 8 8 6339 1 . LYS 9 9 6339 1 . ASP 10 10 6339 1 . PHE 11 11 6339 1 . VAL 12 12 6339 1 . ALA 13 13 6339 1 . ASP 14 14 6339 1 . LYS 15 15 6339 1 . LEU 16 16 6339 1 . THR 17 17 6339 1 . ALA 18 18 6339 1 . ILE 19 19 6339 1 . PRO 20 20 6339 1 . LYS 21 21 6339 1 . PRO 22 22 6339 1 . GLU 23 23 6339 1 . GLY 24 24 6339 1 . SER 25 25 6339 1 . VAL 26 26 6339 1 . THR 27 27 6339 1 . ASP 28 28 6339 1 . VAL 29 29 6339 1 . ASP 30 30 6339 1 . LEU 31 31 6339 1 . LYS 32 32 6339 1 . ASP 33 33 6339 1 . VAL 34 34 6339 1 . ASN 35 35 6339 1 . ARG 36 36 6339 1 . ASP 37 37 6339 1 . SER 38 38 6339 1 . VAL 39 39 6339 1 . GLU 40 40 6339 1 . TYR 41 41 6339 1 . LEU 42 42 6339 1 . ALA 43 43 6339 1 . LYS 44 44 6339 1 . VAL 45 45 6339 1 . SER 46 46 6339 1 . VAL 47 47 6339 1 . THR 48 48 6339 1 . ASN 49 49 6339 1 . PRO 50 50 6339 1 . TYR 51 51 6339 1 . SER 52 52 6339 1 . HIS 53 53 6339 1 . SER 54 54 6339 1 . ILE 55 55 6339 1 . PRO 56 56 6339 1 . ILE 57 57 6339 1 . CYS 58 58 6339 1 . GLU 59 59 6339 1 . ILE 60 60 6339 1 . SER 61 61 6339 1 . PHE 62 62 6339 1 . THR 63 63 6339 1 . PHE 64 64 6339 1 . HIS 65 65 6339 1 . SER 66 66 6339 1 . ALA 67 67 6339 1 . GLY 68 68 6339 1 . ARG 69 69 6339 1 . GLU 70 70 6339 1 . ILE 71 71 6339 1 . GLY 72 72 6339 1 . LYS 73 73 6339 1 . GLY 74 74 6339 1 . LYS 75 75 6339 1 . ILE 76 76 6339 1 . PRO 77 77 6339 1 . ASP 78 78 6339 1 . PRO 79 79 6339 1 . GLY 80 80 6339 1 . SER 81 81 6339 1 . LEU 82 82 6339 1 . LYS 83 83 6339 1 . ALA 84 84 6339 1 . LYS 85 85 6339 1 . ASP 86 86 6339 1 . MET 87 87 6339 1 . THR 88 88 6339 1 . ALA 89 89 6339 1 . LEU 90 90 6339 1 . ASP 91 91 6339 1 . ILE 92 92 6339 1 . PRO 93 93 6339 1 . VAL 94 94 6339 1 . VAL 95 95 6339 1 . VAL 96 96 6339 1 . PRO 97 97 6339 1 . TYR 98 98 6339 1 . SER 99 99 6339 1 . ILE 100 100 6339 1 . LEU 101 101 6339 1 . PHE 102 102 6339 1 . ASN 103 103 6339 1 . LEU 104 104 6339 1 . ALA 105 105 6339 1 . ARG 106 106 6339 1 . ASP 107 107 6339 1 . VAL 108 108 6339 1 . GLY 109 109 6339 1 . VAL 110 110 6339 1 . ASP 111 111 6339 1 . TRP 112 112 6339 1 . ASP 113 113 6339 1 . ILE 114 114 6339 1 . ASP 115 115 6339 1 . TYR 116 116 6339 1 . GLU 117 117 6339 1 . LEU 118 118 6339 1 . GLN 119 119 6339 1 . ILE 120 120 6339 1 . GLY 121 121 6339 1 . LEU 122 122 6339 1 . THR 123 123 6339 1 . ILE 124 124 6339 1 . ASP 125 125 6339 1 . LEU 126 126 6339 1 . PRO 127 127 6339 1 . VAL 128 128 6339 1 . VAL 129 129 6339 1 . GLY 130 130 6339 1 . GLU 131 131 6339 1 . PHE 132 132 6339 1 . THR 133 133 6339 1 . ILE 134 134 6339 1 . PRO 135 135 6339 1 . ILE 136 136 6339 1 . SER 137 137 6339 1 . SER 138 138 6339 1 . LYS 139 139 6339 1 . GLY 140 140 6339 1 . GLU 141 141 6339 1 . ILE 142 142 6339 1 . LYS 143 143 6339 1 . LEU 144 144 6339 1 . PRO 145 145 6339 1 . THR 146 146 6339 1 . PHE 147 147 6339 1 . LYS 148 148 6339 1 . ASP 149 149 6339 1 . PHE 150 150 6339 1 . PHE 151 151 6339 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 6339 _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 $AT1g01470_monomer . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6339 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 6339 _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 $AT1g01470_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6339 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6339 _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 'Arabidopsis thaliana' '[U-13C; U-15N]' . . 1 $AT1g01470_monomer . . . 0.5 1.0 mM . . . . 6339 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 6339 _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 6.5 0.2 n/a 6339 1 temperature 298 1 K 6339 1 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 6339 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 6339 _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 Varian Inova . 600 . . . 6339 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 6339 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6339 1 2 HNCO yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6339 1 3 HNCACB yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6339 1 4 CBCACONH yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6339 1 5 HCCONH yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6339 1 6 CCONH yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6339 1 7 CCH-TOCSY yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6339 1 8 HBHACONH yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6339 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 6339 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/last_hsqc_020504.fid/' . . . . . . . 6339 1 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/last_hsqc_020504.fid/' . . . . . . . 6339 1 gNhsqc_2fb.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/last_hsqc_020504.fid/' . . . . . . . 6339 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/last_hsqc_020504.fid/' . . . . . . . 6339 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 6339 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghn_coA.fid/' . . . . . . . 6339 2 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghn_coA.fid/' . . . . . . . 6339 2 new_ghn_coA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghn_coA.fid/' . . . . . . . 6339 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghn_coA.fid/' . . . . . . . 6339 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 6339 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghn_cacbA_1kx60x40_011504.fid/' . . . . . . . 6339 3 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghn_cacbA_1kx60x40_011504.fid/' . . . . . . . 6339 3 new_ghn_cacbA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghn_cacbA_1kx60x40_011504.fid/' . . . . . . . 6339 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghn_cacbA_1kx60x40_011504.fid/' . . . . . . . 6339 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 6339 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_gcbca_co_nh_1kx60x40_011404.fid/' . . . . . . . 6339 4 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_gcbca_co_nh_1kx60x40_011404.fid/' . . . . . . . 6339 4 new_gcbca_co_nhA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_gcbca_co_nh_1kx60x40_011404.fid/' . . . . . . . 6339 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_gcbca_co_nh_1kx60x40_011404.fid/' . . . . . . . 6339 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 6339 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghc_co_nhA_012204.fid/' . . . . . . . 6339 5 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghc_co_nhA_012204.fid/' . . . . . . . 6339 5 new_ghc_co_nhA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghc_co_nhA_012204.fid/' . . . . . . . 6339 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghc_co_nhA_012204.fid/' . . . . . . . 6339 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 6339 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_gc_co_nhA_1kx60x40_011904.fid/' . . . . . . . 6339 6 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_gc_co_nhA_1kx60x40_011904.fid/' . . . . . . . 6339 6 new_gc_co_nhA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_gc_co_nhA_1kx60x40_011904.fid/' . . . . . . . 6339 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_gc_co_nhA_1kx60x40_011904.fid/' . . . . . . . 6339 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 6339 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/cch_tocsyA_020404.fid/' . . . . . . . 6339 7 cch_tocsyA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/cch_tocsyA_020404.fid/' . . . . . . . 6339 7 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/cch_tocsyA_020404.fid/' . . . . . . . 6339 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/cch_tocsyA_020404.fid/' . . . . . . . 6339 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 6339 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghbha_co_nh_1kx60x40_012004.fid/' . . . . . . . 6339 8 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghbha_co_nh_1kx60x40_012004.fid/' . . . . . . . 6339 8 new_ghbha_co_nh.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghbha_co_nh_1kx60x40_012004.fid/' . . . . . . . 6339 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6339/timedomain_data/AT1g01470/new_ghbha_co_nh_1kx60x40_012004.fid/' . . . . . . . 6339 8 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 6339 _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 H2O protons . . . . ppm 4.773 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6339 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6339 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6339 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 6339 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 6339 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 2 2 ALA CA C 13 52.793 0.3 . 1 . . . . . . . . 6339 1 2 . 1 1 2 2 ALA HA H 1 4.394 0.03 . 1 . . . . . . . . 6339 1 3 . 1 1 2 2 ALA CB C 13 19.579 0.3 . 1 . . . . . . . . 6339 1 4 . 1 1 2 2 ALA HB1 H 1 1.393 0.03 . 1 . . . . . . . . 6339 1 5 . 1 1 2 2 ALA HB2 H 1 1.393 0.03 . 1 . . . . . . . . 6339 1 6 . 1 1 2 2 ALA HB3 H 1 1.393 0.03 . 1 . . . . . . . . 6339 1 7 . 1 1 2 2 ALA C C 13 177.557 0.3 . 1 . . . . . . . . 6339 1 8 . 1 1 3 3 SER N N 15 115.568 0.3 . 1 . . . . . . . . 6339 1 9 . 1 1 3 3 SER H H 1 8.420 0.03 . 1 . . . . . . . . 6339 1 10 . 1 1 3 3 SER CA C 13 58.298 0.3 . 1 . . . . . . . . 6339 1 11 . 1 1 3 3 SER HA H 1 4.436 0.03 . 1 . . . . . . . . 6339 1 12 . 1 1 3 3 SER CB C 13 64.105 0.3 . 1 . . . . . . . . 6339 1 13 . 1 1 3 3 SER HB3 H 1 3.845 0.03 . 2 . . . . . . . . 6339 1 14 . 1 1 3 3 SER C C 13 174.818 0.3 . 1 . . . . . . . . 6339 1 15 . 1 1 4 4 LEU N N 15 124.513 0.3 . 1 . . . . . . . . 6339 1 16 . 1 1 4 4 LEU H H 1 8.374 0.03 . 1 . . . . . . . . 6339 1 17 . 1 1 4 4 LEU CA C 13 55.929 0.3 . 1 . . . . . . . . 6339 1 18 . 1 1 4 4 LEU HA H 1 4.523 0.03 . 1 . . . . . . . . 6339 1 19 . 1 1 4 4 LEU CB C 13 42.308 0.3 . 1 . . . . . . . . 6339 1 20 . 1 1 4 4 LEU HB3 H 1 1.341 0.03 . 2 . . . . . . . . 6339 1 21 . 1 1 4 4 LEU HB2 H 1 1.599 0.03 . 2 . . . . . . . . 6339 1 22 . 1 1 4 4 LEU HD21 H 1 0.875 0.03 . 2 . . . . . . . . 6339 1 23 . 1 1 4 4 LEU HD22 H 1 0.875 0.03 . 2 . . . . . . . . 6339 1 24 . 1 1 4 4 LEU HD23 H 1 0.875 0.03 . 2 . . . . . . . . 6339 1 25 . 1 1 5 5 LEU N N 15 121.382 0.3 . 1 . . . . . . . . 6339 1 26 . 1 1 5 5 LEU H H 1 8.089 0.03 . 1 . . . . . . . . 6339 1 27 . 1 1 5 5 LEU CA C 13 55.717 0.3 . 1 . . . . . . . . 6339 1 28 . 1 1 5 5 LEU CB C 13 42.317 0.3 . 1 . . . . . . . . 6339 1 29 . 1 1 6 6 ASP N N 15 120.835 0.3 . 1 . . . . . . . . 6339 1 30 . 1 1 6 6 ASP H H 1 8.103 0.03 . 1 . . . . . . . . 6339 1 31 . 1 1 6 6 ASP CA C 13 54.822 0.3 . 1 . . . . . . . . 6339 1 32 . 1 1 6 6 ASP CB C 13 41.323 0.3 . 1 . . . . . . . . 6339 1 33 . 1 1 6 6 ASP C C 13 176.449 0.3 . 1 . . . . . . . . 6339 1 34 . 1 1 7 7 LYS N N 15 121.543 0.3 . 1 . . . . . . . . 6339 1 35 . 1 1 7 7 LYS H H 1 8.106 0.03 . 1 . . . . . . . . 6339 1 36 . 1 1 7 7 LYS CA C 13 56.648 0.3 . 1 . . . . . . . . 6339 1 37 . 1 1 7 7 LYS HA H 1 4.231 0.03 . 1 . . . . . . . . 6339 1 38 . 1 1 7 7 LYS CB C 13 33.008 0.3 . 1 . . . . . . . . 6339 1 39 . 1 1 7 7 LYS HB3 H 1 1.658 0.03 . 2 . . . . . . . . 6339 1 40 . 1 1 7 7 LYS HB2 H 1 1.788 0.03 . 2 . . . . . . . . 6339 1 41 . 1 1 7 7 LYS CG C 13 24.668 0.3 . 1 . . . . . . . . 6339 1 42 . 1 1 7 7 LYS HG3 H 1 1.412 0.03 . 2 . . . . . . . . 6339 1 43 . 1 1 7 7 LYS CD C 13 28.936 0.3 . 1 . . . . . . . . 6339 1 44 . 1 1 7 7 LYS CE C 13 42.113 0.3 . 1 . . . . . . . . 6339 1 45 . 1 1 7 7 LYS HE3 H 1 2.962 0.03 . 2 . . . . . . . . 6339 1 46 . 1 1 7 7 LYS C C 13 176.630 0.3 . 1 . . . . . . . . 6339 1 47 . 1 1 8 8 ALA N N 15 124.230 0.3 . 1 . . . . . . . . 6339 1 48 . 1 1 8 8 ALA H H 1 8.207 0.03 . 1 . . . . . . . . 6339 1 49 . 1 1 8 8 ALA CA C 13 52.877 0.3 . 1 . . . . . . . . 6339 1 50 . 1 1 8 8 ALA HA H 1 4.717 0.03 . 1 . . . . . . . . 6339 1 51 . 1 1 8 8 ALA CB C 13 19.186 0.3 . 1 . . . . . . . . 6339 1 52 . 1 1 8 8 ALA HB1 H 1 1.404 0.03 . 1 . . . . . . . . 6339 1 53 . 1 1 8 8 ALA HB2 H 1 1.404 0.03 . 1 . . . . . . . . 6339 1 54 . 1 1 8 8 ALA HB3 H 1 1.404 0.03 . 1 . . . . . . . . 6339 1 55 . 1 1 8 8 ALA C C 13 178.146 0.3 . 1 . . . . . . . . 6339 1 56 . 1 1 9 9 LYS N N 15 119.646 0.3 . 1 . . . . . . . . 6339 1 57 . 1 1 9 9 LYS H H 1 8.111 0.03 . 1 . . . . . . . . 6339 1 58 . 1 1 9 9 LYS CA C 13 56.829 0.3 . 1 . . . . . . . . 6339 1 59 . 1 1 9 9 LYS CB C 13 33.025 0.3 . 1 . . . . . . . . 6339 1 60 . 1 1 10 10 ASP N N 15 120.694 0.3 . 1 . . . . . . . . 6339 1 61 . 1 1 10 10 ASP H H 1 8.156 0.03 . 1 . . . . . . . . 6339 1 62 . 1 1 10 10 ASP CA C 13 54.517 0.3 . 1 . . . . . . . . 6339 1 63 . 1 1 10 10 ASP HA H 1 4.543 0.03 . 1 . . . . . . . . 6339 1 64 . 1 1 10 10 ASP CB C 13 41.238 0.3 . 1 . . . . . . . . 6339 1 65 . 1 1 10 10 ASP HB3 H 1 2.580 0.03 . 2 . . . . . . . . 6339 1 66 . 1 1 10 10 ASP C C 13 175.829 0.3 . 1 . . . . . . . . 6339 1 67 . 1 1 11 11 PHE N N 15 120.552 0.3 . 1 . . . . . . . . 6339 1 68 . 1 1 11 11 PHE H H 1 8.043 0.03 . 1 . . . . . . . . 6339 1 69 . 1 1 11 11 PHE CA C 13 58.154 0.3 . 1 . . . . . . . . 6339 1 70 . 1 1 11 11 PHE HA H 1 4.546 0.03 . 1 . . . . . . . . 6339 1 71 . 1 1 11 11 PHE CB C 13 39.577 0.3 . 1 . . . . . . . . 6339 1 72 . 1 1 11 11 PHE HB3 H 1 3.081 0.03 . 2 . . . . . . . . 6339 1 73 . 1 1 11 11 PHE C C 13 175.600 0.3 . 1 . . . . . . . . 6339 1 74 . 1 1 12 12 VAL N N 15 122.816 0.3 . 1 . . . . . . . . 6339 1 75 . 1 1 12 12 VAL H H 1 7.910 0.03 . 1 . . . . . . . . 6339 1 76 . 1 1 12 12 VAL CA C 13 62.365 0.3 . 1 . . . . . . . . 6339 1 77 . 1 1 12 12 VAL HA H 1 3.963 0.03 . 1 . . . . . . . . 6339 1 78 . 1 1 12 12 VAL CB C 13 32.999 0.3 . 1 . . . . . . . . 6339 1 79 . 1 1 12 12 VAL HB H 1 1.991 0.03 . 1 . . . . . . . . 6339 1 80 . 1 1 12 12 VAL CG1 C 13 20.995 0.3 . 1 . . . . . . . . 6339 1 81 . 1 1 12 12 VAL HG11 H 1 0.890 0.03 . 2 . . . . . . . . 6339 1 82 . 1 1 12 12 VAL HG12 H 1 0.890 0.03 . 2 . . . . . . . . 6339 1 83 . 1 1 12 12 VAL HG13 H 1 0.890 0.03 . 2 . . . . . . . . 6339 1 84 . 1 1 12 12 VAL C C 13 175.701 0.3 . 1 . . . . . . . . 6339 1 85 . 1 1 13 13 ALA N N 15 127.060 0.3 . 1 . . . . . . . . 6339 1 86 . 1 1 13 13 ALA H H 1 8.200 0.03 . 1 . . . . . . . . 6339 1 87 . 1 1 13 13 ALA CA C 13 53.269 0.3 . 1 . . . . . . . . 6339 1 88 . 1 1 13 13 ALA HA H 1 4.160 0.03 . 1 . . . . . . . . 6339 1 89 . 1 1 13 13 ALA CB C 13 19.343 0.3 . 1 . . . . . . . . 6339 1 90 . 1 1 13 13 ALA HB1 H 1 1.392 0.03 . 1 . . . . . . . . 6339 1 91 . 1 1 13 13 ALA HB2 H 1 1.392 0.03 . 1 . . . . . . . . 6339 1 92 . 1 1 13 13 ALA HB3 H 1 1.392 0.03 . 1 . . . . . . . . 6339 1 93 . 1 1 13 13 ALA C C 13 177.841 0.3 . 1 . . . . . . . . 6339 1 94 . 1 1 14 14 ASP N N 15 118.967 0.3 . 1 . . . . . . . . 6339 1 95 . 1 1 14 14 ASP H H 1 8.210 0.03 . 1 . . . . . . . . 6339 1 96 . 1 1 14 14 ASP CA C 13 54.866 0.3 . 1 . . . . . . . . 6339 1 97 . 1 1 14 14 ASP HA H 1 4.619 0.03 . 1 . . . . . . . . 6339 1 98 . 1 1 14 14 ASP CB C 13 41.387 0.3 . 1 . . . . . . . . 6339 1 99 . 1 1 14 14 ASP HB3 H 1 2.187 0.03 . 2 . . . . . . . . 6339 1 100 . 1 1 14 14 ASP HB2 H 1 2.060 0.03 . 2 . . . . . . . . 6339 1 101 . 1 1 15 15 LYS N N 15 120.578 0.3 . 1 . . . . . . . . 6339 1 102 . 1 1 15 15 LYS H H 1 8.156 0.03 . 1 . . . . . . . . 6339 1 103 . 1 1 15 15 LYS CA C 13 57.174 0.3 . 1 . . . . . . . . 6339 1 104 . 1 1 15 15 LYS CB C 13 33.004 0.3 . 1 . . . . . . . . 6339 1 105 . 1 1 16 16 LEU N N 15 120.694 0.3 . 1 . . . . . . . . 6339 1 106 . 1 1 16 16 LEU H H 1 8.190 0.03 . 1 . . . . . . . . 6339 1 107 . 1 1 16 16 LEU CA C 13 55.691 0.3 . 1 . . . . . . . . 6339 1 108 . 1 1 16 16 LEU HA H 1 4.300 0.03 . 1 . . . . . . . . 6339 1 109 . 1 1 16 16 LEU CB C 13 42.002 0.3 . 1 . . . . . . . . 6339 1 110 . 1 1 16 16 LEU HB3 H 1 1.629 0.03 . 2 . . . . . . . . 6339 1 111 . 1 1 16 16 LEU CG C 13 27.171 0.3 . 1 . . . . . . . . 6339 1 112 . 1 1 16 16 LEU CD1 C 13 25.115 0.3 . 1 . . . . . . . . 6339 1 113 . 1 1 16 16 LEU HD11 H 1 0.873 0.03 . 2 . . . . . . . . 6339 1 114 . 1 1 16 16 LEU HD12 H 1 0.873 0.03 . 2 . . . . . . . . 6339 1 115 . 1 1 16 16 LEU HD13 H 1 0.873 0.03 . 2 . . . . . . . . 6339 1 116 . 1 1 16 16 LEU CD2 C 13 23.520 0.3 . 1 . . . . . . . . 6339 1 117 . 1 1 16 16 LEU C C 13 178.079 0.3 . 1 . . . . . . . . 6339 1 118 . 1 1 17 17 THR N N 15 114.045 0.3 . 1 . . . . . . . . 6339 1 119 . 1 1 17 17 THR H H 1 7.905 0.03 . 1 . . . . . . . . 6339 1 120 . 1 1 17 17 THR CA C 13 63.197 0.3 . 1 . . . . . . . . 6339 1 121 . 1 1 17 17 THR HA H 1 4.147 0.03 . 1 . . . . . . . . 6339 1 122 . 1 1 17 17 THR CB C 13 69.532 0.3 . 1 . . . . . . . . 6339 1 123 . 1 1 17 17 THR HB H 1 4.169 0.03 . 1 . . . . . . . . 6339 1 124 . 1 1 17 17 THR CG2 C 13 21.036 0.3 . 1 . . . . . . . . 6339 1 125 . 1 1 17 17 THR HG21 H 1 1.230 0.03 . 1 . . . . . . . . 6339 1 126 . 1 1 17 17 THR HG22 H 1 1.230 0.03 . 1 . . . . . . . . 6339 1 127 . 1 1 17 17 THR HG23 H 1 1.230 0.03 . 1 . . . . . . . . 6339 1 128 . 1 1 17 17 THR C C 13 174.382 0.3 . 1 . . . . . . . . 6339 1 129 . 1 1 18 18 ALA N N 15 125.079 0.3 . 1 . . . . . . . . 6339 1 130 . 1 1 18 18 ALA H H 1 8.030 0.03 . 1 . . . . . . . . 6339 1 131 . 1 1 18 18 ALA CA C 13 52.234 0.3 . 1 . . . . . . . . 6339 1 132 . 1 1 18 18 ALA HA H 1 4.333 0.03 . 1 . . . . . . . . 6339 1 133 . 1 1 18 18 ALA CB C 13 19.326 0.3 . 1 . . . . . . . . 6339 1 134 . 1 1 18 18 ALA HB1 H 1 1.347 0.03 . 1 . . . . . . . . 6339 1 135 . 1 1 18 18 ALA HB2 H 1 1.347 0.03 . 1 . . . . . . . . 6339 1 136 . 1 1 18 18 ALA HB3 H 1 1.347 0.03 . 1 . . . . . . . . 6339 1 137 . 1 1 18 18 ALA C C 13 177.134 0.3 . 1 . . . . . . . . 6339 1 138 . 1 1 19 19 ILE N N 15 120.411 0.3 . 1 . . . . . . . . 6339 1 139 . 1 1 19 19 ILE H H 1 7.695 0.03 . 1 . . . . . . . . 6339 1 140 . 1 1 19 19 ILE CA C 13 58.405 0.3 . 1 . . . . . . . . 6339 1 141 . 1 1 19 19 ILE HA H 1 4.463 0.03 . 1 . . . . . . . . 6339 1 142 . 1 1 19 19 ILE CB C 13 38.742 0.3 . 1 . . . . . . . . 6339 1 143 . 1 1 19 19 ILE HB H 1 1.789 0.03 . 1 . . . . . . . . 6339 1 144 . 1 1 19 19 ILE CG1 C 13 26.600 0.3 . 2 . . . . . . . . 6339 1 145 . 1 1 19 19 ILE HG13 H 1 1.411 0.03 . 1 . . . . . . . . 6339 1 146 . 1 1 19 19 ILE HG12 H 1 1.157 0.03 . 1 . . . . . . . . 6339 1 147 . 1 1 19 19 ILE CD1 C 13 17.600 0.3 . 1 . . . . . . . . 6339 1 148 . 1 1 19 19 ILE HD11 H 1 0.814 0.03 . 1 . . . . . . . . 6339 1 149 . 1 1 19 19 ILE HD12 H 1 0.814 0.03 . 1 . . . . . . . . 6339 1 150 . 1 1 19 19 ILE HD13 H 1 0.814 0.03 . 1 . . . . . . . . 6339 1 151 . 1 1 19 19 ILE CG2 C 13 12.950 0.3 . 1 . . . . . . . . 6339 1 152 . 1 1 19 19 ILE HG21 H 1 0.774 0.03 . 1 . . . . . . . . 6339 1 153 . 1 1 19 19 ILE HG22 H 1 0.774 0.03 . 1 . . . . . . . . 6339 1 154 . 1 1 19 19 ILE HG23 H 1 0.774 0.03 . 1 . . . . . . . . 6339 1 155 . 1 1 20 20 PRO CA C 13 62.953 0.3 . 1 . . . . . . . . 6339 1 156 . 1 1 20 20 PRO HA H 1 4.350 0.03 . 1 . . . . . . . . 6339 1 157 . 1 1 20 20 PRO CB C 13 31.869 0.3 . 1 . . . . . . . . 6339 1 158 . 1 1 20 20 PRO HB3 H 1 2.032 0.03 . 2 . . . . . . . . 6339 1 159 . 1 1 20 20 PRO HB2 H 1 1.308 0.03 . 2 . . . . . . . . 6339 1 160 . 1 1 20 20 PRO CG C 13 27.325 0.3 . 1 . . . . . . . . 6339 1 161 . 1 1 20 20 PRO HG3 H 1 2.032 0.03 . 2 . . . . . . . . 6339 1 162 . 1 1 20 20 PRO HG2 H 1 1.763 0.03 . 2 . . . . . . . . 6339 1 163 . 1 1 20 20 PRO CD C 13 51.122 0.3 . 1 . . . . . . . . 6339 1 164 . 1 1 20 20 PRO HD3 H 1 4.098 0.03 . 2 . . . . . . . . 6339 1 165 . 1 1 20 20 PRO HD2 H 1 4.130 0.03 . 2 . . . . . . . . 6339 1 166 . 1 1 20 20 PRO C C 13 177.411 0.3 . 1 . . . . . . . . 6339 1 167 . 1 1 21 21 LYS N N 15 121.118 0.3 . 1 . . . . . . . . 6339 1 168 . 1 1 21 21 LYS H H 1 8.650 0.03 . 1 . . . . . . . . 6339 1 169 . 1 1 21 21 LYS CA C 13 53.182 0.3 . 1 . . . . . . . . 6339 1 170 . 1 1 21 21 LYS HA H 1 4.957 0.03 . 1 . . . . . . . . 6339 1 171 . 1 1 21 21 LYS CB C 13 34.216 0.3 . 1 . . . . . . . . 6339 1 172 . 1 1 21 21 LYS HB3 H 1 1.527 0.03 . 2 . . . . . . . . 6339 1 173 . 1 1 21 21 LYS HB2 H 1 1.262 0.03 . 2 . . . . . . . . 6339 1 174 . 1 1 22 22 PRO CA C 13 63.307 0.3 . 1 . . . . . . . . 6339 1 175 . 1 1 22 22 PRO HA H 1 4.722 0.03 . 1 . . . . . . . . 6339 1 176 . 1 1 22 22 PRO CB C 13 32.331 0.3 . 1 . . . . . . . . 6339 1 177 . 1 1 22 22 PRO HB3 H 1 1.907 0.03 . 2 . . . . . . . . 6339 1 178 . 1 1 22 22 PRO CG C 13 27.958 0.3 . 1 . . . . . . . . 6339 1 179 . 1 1 22 22 PRO HG3 H 1 1.620 0.03 . 2 . . . . . . . . 6339 1 180 . 1 1 22 22 PRO CD C 13 51.242 0.3 . 1 . . . . . . . . 6339 1 181 . 1 1 22 22 PRO C C 13 173.450 0.3 . 1 . . . . . . . . 6339 1 182 . 1 1 23 23 GLU N N 15 118.572 0.3 . 1 . . . . . . . . 6339 1 183 . 1 1 23 23 GLU H H 1 7.837 0.03 . 1 . . . . . . . . 6339 1 184 . 1 1 23 23 GLU CA C 13 54.679 0.3 . 1 . . . . . . . . 6339 1 185 . 1 1 23 23 GLU HA H 1 4.735 0.03 . 1 . . . . . . . . 6339 1 186 . 1 1 23 23 GLU CB C 13 33.545 0.3 . 1 . . . . . . . . 6339 1 187 . 1 1 23 23 GLU HB3 H 1 1.906 0.03 . 2 . . . . . . . . 6339 1 188 . 1 1 23 23 GLU HB2 H 1 2.068 0.03 . 2 . . . . . . . . 6339 1 189 . 1 1 23 23 GLU CG C 13 36.031 0.3 . 1 . . . . . . . . 6339 1 190 . 1 1 23 23 GLU HG3 H 1 2.271 0.03 . 2 . . . . . . . . 6339 1 191 . 1 1 23 23 GLU HG2 H 1 2.068 0.03 . 2 . . . . . . . . 6339 1 192 . 1 1 23 23 GLU C C 13 175.207 0.3 . 1 . . . . . . . . 6339 1 193 . 1 1 24 24 GLY N N 15 108.528 0.3 . 1 . . . . . . . . 6339 1 194 . 1 1 24 24 GLY H H 1 8.905 0.03 . 1 . . . . . . . . 6339 1 195 . 1 1 24 24 GLY CA C 13 45.486 0.3 . 1 . . . . . . . . 6339 1 196 . 1 1 24 24 GLY HA3 H 1 5.536 0.03 . 2 . . . . . . . . 6339 1 197 . 1 1 24 24 GLY HA2 H 1 3.478 0.03 . 2 . . . . . . . . 6339 1 198 . 1 1 24 24 GLY C C 13 171.784 0.3 . 1 . . . . . . . . 6339 1 199 . 1 1 25 25 SER N N 15 112.630 0.3 . 1 . . . . . . . . 6339 1 200 . 1 1 25 25 SER H H 1 8.614 0.03 . 1 . . . . . . . . 6339 1 201 . 1 1 25 25 SER CA C 13 57.455 0.3 . 1 . . . . . . . . 6339 1 202 . 1 1 25 25 SER HA H 1 4.790 0.03 . 1 . . . . . . . . 6339 1 203 . 1 1 25 25 SER CB C 13 66.156 0.3 . 1 . . . . . . . . 6339 1 204 . 1 1 25 25 SER HB3 H 1 3.705 0.03 . 2 . . . . . . . . 6339 1 205 . 1 1 25 25 SER HB2 H 1 3.829 0.03 . 2 . . . . . . . . 6339 1 206 . 1 1 25 25 SER C C 13 172.628 0.3 . 1 . . . . . . . . 6339 1 207 . 1 1 26 26 VAL N N 15 123.806 0.3 . 1 . . . . . . . . 6339 1 208 . 1 1 26 26 VAL H H 1 8.918 0.03 . 1 . . . . . . . . 6339 1 209 . 1 1 26 26 VAL CA C 13 61.927 0.3 . 1 . . . . . . . . 6339 1 210 . 1 1 26 26 VAL HA H 1 4.570 0.03 . 1 . . . . . . . . 6339 1 211 . 1 1 26 26 VAL CB C 13 32.371 0.3 . 1 . . . . . . . . 6339 1 212 . 1 1 26 26 VAL HB H 1 2.050 0.03 . 1 . . . . . . . . 6339 1 213 . 1 1 26 26 VAL CG2 C 13 21.756 0.3 . 1 . . . . . . . . 6339 1 214 . 1 1 26 26 VAL HG21 H 1 0.767 0.03 . 2 . . . . . . . . 6339 1 215 . 1 1 26 26 VAL HG22 H 1 0.767 0.03 . 2 . . . . . . . . 6339 1 216 . 1 1 26 26 VAL HG23 H 1 0.767 0.03 . 2 . . . . . . . . 6339 1 217 . 1 1 26 26 VAL C C 13 176.818 0.3 . 1 . . . . . . . . 6339 1 218 . 1 1 27 27 THR N N 15 121.118 0.3 . 1 . . . . . . . . 6339 1 219 . 1 1 27 27 THR H H 1 9.237 0.03 . 1 . . . . . . . . 6339 1 220 . 1 1 27 27 THR CA C 13 63.183 0.3 . 1 . . . . . . . . 6339 1 221 . 1 1 27 27 THR HA H 1 4.302 0.03 . 1 . . . . . . . . 6339 1 222 . 1 1 27 27 THR CB C 13 68.862 0.3 . 1 . . . . . . . . 6339 1 223 . 1 1 27 27 THR HB H 1 4.182 0.03 . 1 . . . . . . . . 6339 1 224 . 1 1 27 27 THR CG2 C 13 21.362 0.3 . 1 . . . . . . . . 6339 1 225 . 1 1 27 27 THR HG21 H 1 1.110 0.03 . 1 . . . . . . . . 6339 1 226 . 1 1 27 27 THR HG22 H 1 1.110 0.03 . 1 . . . . . . . . 6339 1 227 . 1 1 27 27 THR HG23 H 1 1.110 0.03 . 1 . . . . . . . . 6339 1 228 . 1 1 27 27 THR C C 13 174.737 0.3 . 1 . . . . . . . . 6339 1 229 . 1 1 28 28 ASP N N 15 119.138 0.3 . 1 . . . . . . . . 6339 1 230 . 1 1 28 28 ASP H H 1 7.380 0.03 . 1 . . . . . . . . 6339 1 231 . 1 1 28 28 ASP CA C 13 54.765 0.3 . 1 . . . . . . . . 6339 1 232 . 1 1 28 28 ASP HA H 1 4.830 0.03 . 1 . . . . . . . . 6339 1 233 . 1 1 28 28 ASP CB C 13 45.773 0.3 . 1 . . . . . . . . 6339 1 234 . 1 1 28 28 ASP HB3 H 1 2.465 0.03 . 1 . . . . . . . . 6339 1 235 . 1 1 28 28 ASP HB2 H 1 2.465 0.03 . 1 . . . . . . . . 6339 1 236 . 1 1 28 28 ASP C C 13 174.272 0.3 . 1 . . . . . . . . 6339 1 237 . 1 1 29 29 VAL N N 15 120.594 0.3 . 1 . . . . . . . . 6339 1 238 . 1 1 29 29 VAL H H 1 8.150 0.03 . 1 . . . . . . . . 6339 1 239 . 1 1 29 29 VAL CA C 13 63.067 0.3 . 1 . . . . . . . . 6339 1 240 . 1 1 29 29 VAL HA H 1 4.661 0.03 . 1 . . . . . . . . 6339 1 241 . 1 1 29 29 VAL CB C 13 33.004 0.3 . 1 . . . . . . . . 6339 1 242 . 1 1 29 29 VAL HB H 1 1.574 0.03 . 1 . . . . . . . . 6339 1 243 . 1 1 29 29 VAL CG2 C 13 21.115 0.3 . 1 . . . . . . . . 6339 1 244 . 1 1 29 29 VAL HG21 H 1 0.521 0.03 . 2 . . . . . . . . 6339 1 245 . 1 1 29 29 VAL HG22 H 1 0.521 0.03 . 2 . . . . . . . . 6339 1 246 . 1 1 29 29 VAL HG23 H 1 0.521 0.03 . 2 . . . . . . . . 6339 1 247 . 1 1 29 29 VAL CG1 C 13 21.115 0.3 . 1 . . . . . . . . 6339 1 248 . 1 1 29 29 VAL HG11 H 1 0.226 0.03 . 2 . . . . . . . . 6339 1 249 . 1 1 29 29 VAL HG12 H 1 0.226 0.03 . 2 . . . . . . . . 6339 1 250 . 1 1 29 29 VAL HG13 H 1 0.226 0.03 . 2 . . . . . . . . 6339 1 251 . 1 1 29 29 VAL C C 13 175.746 0.3 . 1 . . . . . . . . 6339 1 252 . 1 1 30 30 ASP N N 15 125.079 0.3 . 1 . . . . . . . . 6339 1 253 . 1 1 30 30 ASP H H 1 8.270 0.03 . 1 . . . . . . . . 6339 1 254 . 1 1 30 30 ASP CA C 13 53.006 0.3 . 1 . . . . . . . . 6339 1 255 . 1 1 30 30 ASP HA H 1 5.094 0.03 . 1 . . . . . . . . 6339 1 256 . 1 1 30 30 ASP CB C 13 44.669 0.3 . 1 . . . . . . . . 6339 1 257 . 1 1 30 30 ASP HB3 H 1 2.519 0.03 . 2 . . . . . . . . 6339 1 258 . 1 1 30 30 ASP C C 13 175.210 0.3 . 1 . . . . . . . . 6339 1 259 . 1 1 31 31 LEU N N 15 125.362 0.3 . 1 . . . . . . . . 6339 1 260 . 1 1 31 31 LEU H H 1 8.675 0.03 . 1 . . . . . . . . 6339 1 261 . 1 1 31 31 LEU CA C 13 56.331 0.3 . 1 . . . . . . . . 6339 1 262 . 1 1 31 31 LEU HA H 1 3.774 0.03 . 1 . . . . . . . . 6339 1 263 . 1 1 31 31 LEU CB C 13 41.600 0.3 . 1 . . . . . . . . 6339 1 264 . 1 1 31 31 LEU HB3 H 1 1.629 0.03 . 2 . . . . . . . . 6339 1 265 . 1 1 31 31 LEU HB2 H 1 1.358 0.03 . 2 . . . . . . . . 6339 1 266 . 1 1 31 31 LEU CG C 13 25.100 0.3 . 1 . . . . . . . . 6339 1 267 . 1 1 31 31 LEU HG H 1 1.070 0.03 . 1 . . . . . . . . 6339 1 268 . 1 1 31 31 LEU CD1 C 13 25.712 0.3 . 1 . . . . . . . . 6339 1 269 . 1 1 31 31 LEU HD11 H 1 0.463 0.03 . 2 . . . . . . . . 6339 1 270 . 1 1 31 31 LEU HD12 H 1 0.463 0.03 . 2 . . . . . . . . 6339 1 271 . 1 1 31 31 LEU HD13 H 1 0.463 0.03 . 2 . . . . . . . . 6339 1 272 . 1 1 31 31 LEU CD2 C 13 22.712 0.3 . 1 . . . . . . . . 6339 1 273 . 1 1 31 31 LEU HD21 H 1 0.190 0.03 . 2 . . . . . . . . 6339 1 274 . 1 1 31 31 LEU HD22 H 1 0.190 0.03 . 2 . . . . . . . . 6339 1 275 . 1 1 31 31 LEU HD23 H 1 0.190 0.03 . 2 . . . . . . . . 6339 1 276 . 1 1 31 31 LEU C C 13 175.152 0.3 . 1 . . . . . . . . 6339 1 277 . 1 1 32 32 LYS N N 15 130.229 0.3 . 1 . . . . . . . . 6339 1 278 . 1 1 32 32 LYS H H 1 8.920 0.03 . 1 . . . . . . . . 6339 1 279 . 1 1 32 32 LYS CA C 13 56.364 0.3 . 1 . . . . . . . . 6339 1 280 . 1 1 32 32 LYS HA H 1 4.406 0.03 . 1 . . . . . . . . 6339 1 281 . 1 1 32 32 LYS CB C 13 34.505 0.3 . 1 . . . . . . . . 6339 1 282 . 1 1 32 32 LYS HB3 H 1 1.482 0.03 . 2 . . . . . . . . 6339 1 283 . 1 1 32 32 LYS HB2 H 1 1.420 0.03 . 2 . . . . . . . . 6339 1 284 . 1 1 32 32 LYS CG C 13 24.584 0.3 . 1 . . . . . . . . 6339 1 285 . 1 1 32 32 LYS HG3 H 1 1.279 0.03 . 2 . . . . . . . . 6339 1 286 . 1 1 32 32 LYS HG2 H 1 1.200 0.03 . 2 . . . . . . . . 6339 1 287 . 1 1 32 32 LYS CD C 13 28.601 0.3 . 1 . . . . . . . . 6339 1 288 . 1 1 32 32 LYS HD3 H 1 1.647 0.03 . 2 . . . . . . . . 6339 1 289 . 1 1 32 32 LYS HD2 H 1 1.453 0.03 . 2 . . . . . . . . 6339 1 290 . 1 1 32 32 LYS CE C 13 41.941 0.3 . 1 . . . . . . . . 6339 1 291 . 1 1 32 32 LYS HE3 H 1 2.716 0.03 . 2 . . . . . . . . 6339 1 292 . 1 1 32 32 LYS HE2 H 1 2.500 0.03 . 2 . . . . . . . . 6339 1 293 . 1 1 32 32 LYS C C 13 175.166 0.3 . 1 . . . . . . . . 6339 1 294 . 1 1 33 33 ASP N N 15 117.157 0.3 . 1 . . . . . . . . 6339 1 295 . 1 1 33 33 ASP H H 1 7.829 0.03 . 1 . . . . . . . . 6339 1 296 . 1 1 33 33 ASP CA C 13 54.315 0.3 . 1 . . . . . . . . 6339 1 297 . 1 1 33 33 ASP HA H 1 4.793 0.03 . 1 . . . . . . . . 6339 1 298 . 1 1 33 33 ASP CB C 13 44.860 0.3 . 1 . . . . . . . . 6339 1 299 . 1 1 33 33 ASP HB3 H 1 2.454 0.03 . 1 . . . . . . . . 6339 1 300 . 1 1 33 33 ASP HB2 H 1 2.454 0.03 . 1 . . . . . . . . 6339 1 301 . 1 1 33 33 ASP C C 13 173.345 0.3 . 1 . . . . . . . . 6339 1 302 . 1 1 34 34 VAL N N 15 119.987 0.3 . 1 . . . . . . . . 6339 1 303 . 1 1 34 34 VAL H H 1 8.145 0.03 . 1 . . . . . . . . 6339 1 304 . 1 1 34 34 VAL CA C 13 61.763 0.3 . 1 . . . . . . . . 6339 1 305 . 1 1 34 34 VAL HA H 1 4.480 0.03 . 1 . . . . . . . . 6339 1 306 . 1 1 34 34 VAL CB C 13 34.746 0.3 . 1 . . . . . . . . 6339 1 307 . 1 1 34 34 VAL HB H 1 1.947 0.03 . 1 . . . . . . . . 6339 1 308 . 1 1 34 34 VAL CG2 C 13 22.080 0.3 . 1 . . . . . . . . 6339 1 309 . 1 1 34 34 VAL HG21 H 1 0.870 0.03 . 1 . . . . . . . . 6339 1 310 . 1 1 34 34 VAL HG22 H 1 0.870 0.03 . 1 . . . . . . . . 6339 1 311 . 1 1 34 34 VAL HG23 H 1 0.870 0.03 . 1 . . . . . . . . 6339 1 312 . 1 1 34 34 VAL CG1 C 13 20.718 0.3 . 1 . . . . . . . . 6339 1 313 . 1 1 34 34 VAL HG11 H 1 0.870 0.03 . 1 . . . . . . . . 6339 1 314 . 1 1 34 34 VAL HG12 H 1 0.870 0.03 . 1 . . . . . . . . 6339 1 315 . 1 1 34 34 VAL HG13 H 1 0.870 0.03 . 1 . . . . . . . . 6339 1 316 . 1 1 34 34 VAL C C 13 173.787 0.3 . 1 . . . . . . . . 6339 1 317 . 1 1 35 35 ASN N N 15 124.796 0.3 . 1 . . . . . . . . 6339 1 318 . 1 1 35 35 ASN H H 1 8.595 0.03 . 1 . . . . . . . . 6339 1 319 . 1 1 35 35 ASN CA C 13 52.281 0.3 . 1 . . . . . . . . 6339 1 320 . 1 1 35 35 ASN HA H 1 4.607 0.03 . 1 . . . . . . . . 6339 1 321 . 1 1 35 35 ASN CB C 13 40.196 0.3 . 1 . . . . . . . . 6339 1 322 . 1 1 35 35 ASN HB3 H 1 2.890 0.03 . 2 . . . . . . . . 6339 1 323 . 1 1 35 35 ASN HB2 H 1 3.004 0.03 . 2 . . . . . . . . 6339 1 324 . 1 1 35 35 ASN ND2 N 15 116.076 0.3 . 1 . . . . . . . . 6339 1 325 . 1 1 35 35 ASN HD21 H 1 6.815 0.03 . 2 . . . . . . . . 6339 1 326 . 1 1 35 35 ASN HD22 H 1 7.641 0.03 . 2 . . . . . . . . 6339 1 327 . 1 1 35 35 ASN C C 13 172.384 0.3 . 1 . . . . . . . . 6339 1 328 . 1 1 36 36 ARG N N 15 113.055 0.3 . 1 . . . . . . . . 6339 1 329 . 1 1 36 36 ARG H H 1 7.923 0.03 . 1 . . . . . . . . 6339 1 330 . 1 1 36 36 ARG CA C 13 58.194 0.3 . 1 . . . . . . . . 6339 1 331 . 1 1 36 36 ARG HA H 1 3.227 0.03 . 1 . . . . . . . . 6339 1 332 . 1 1 36 36 ARG CB C 13 29.819 0.3 . 1 . . . . . . . . 6339 1 333 . 1 1 36 36 ARG HB3 H 1 1.513 0.03 . 1 . . . . . . . . 6339 1 334 . 1 1 36 36 ARG HB2 H 1 1.513 0.03 . 1 . . . . . . . . 6339 1 335 . 1 1 36 36 ARG CG C 13 27.062 0.3 . 1 . . . . . . . . 6339 1 336 . 1 1 36 36 ARG HG3 H 1 1.403 0.03 . 2 . . . . . . . . 6339 1 337 . 1 1 36 36 ARG HG2 H 1 1.340 0.03 . 2 . . . . . . . . 6339 1 338 . 1 1 36 36 ARG CD C 13 43.254 0.3 . 1 . . . . . . . . 6339 1 339 . 1 1 36 36 ARG HD2 H 1 2.970 0.03 . 2 . . . . . . . . 6339 1 340 . 1 1 36 36 ARG NE N 15 84.762 0.3 . 1 . . . . . . . . 6339 1 341 . 1 1 36 36 ARG HE H 1 7.112 0.03 . 1 . . . . . . . . 6339 1 342 . 1 1 36 36 ARG C C 13 175.684 0.3 . 1 . . . . . . . . 6339 1 343 . 1 1 37 37 ASP N N 15 114.894 0.3 . 1 . . . . . . . . 6339 1 344 . 1 1 37 37 ASP H H 1 8.471 0.03 . 1 . . . . . . . . 6339 1 345 . 1 1 37 37 ASP CA C 13 55.660 0.3 . 1 . . . . . . . . 6339 1 346 . 1 1 37 37 ASP HA H 1 4.899 0.03 . 1 . . . . . . . . 6339 1 347 . 1 1 37 37 ASP CB C 13 43.254 0.3 . 1 . . . . . . . . 6339 1 348 . 1 1 37 37 ASP HB3 H 1 2.700 0.03 . 2 . . . . . . . . 6339 1 349 . 1 1 37 37 ASP HB2 H 1 2.688 0.03 . 2 . . . . . . . . 6339 1 350 . 1 1 37 37 ASP C C 13 178.186 0.3 . 1 . . . . . . . . 6339 1 351 . 1 1 38 38 SER N N 15 118.006 0.3 . 1 . . . . . . . . 6339 1 352 . 1 1 38 38 SER H H 1 8.435 0.03 . 1 . . . . . . . . 6339 1 353 . 1 1 38 38 SER CA C 13 58.563 0.3 . 1 . . . . . . . . 6339 1 354 . 1 1 38 38 SER HA H 1 5.128 0.03 . 1 . . . . . . . . 6339 1 355 . 1 1 38 38 SER CB C 13 66.898 0.3 . 1 . . . . . . . . 6339 1 356 . 1 1 38 38 SER HB3 H 1 3.690 0.03 . 2 . . . . . . . . 6339 1 357 . 1 1 38 38 SER HB2 H 1 3.564 0.03 . 2 . . . . . . . . 6339 1 358 . 1 1 38 38 SER C C 13 170.663 0.3 . 1 . . . . . . . . 6339 1 359 . 1 1 39 39 VAL N N 15 122.957 0.3 . 1 . . . . . . . . 6339 1 360 . 1 1 39 39 VAL H H 1 9.278 0.03 . 1 . . . . . . . . 6339 1 361 . 1 1 39 39 VAL CA C 13 61.525 0.3 . 1 . . . . . . . . 6339 1 362 . 1 1 39 39 VAL HA H 1 4.380 0.03 . 1 . . . . . . . . 6339 1 363 . 1 1 39 39 VAL CB C 13 33.821 0.3 . 1 . . . . . . . . 6339 1 364 . 1 1 39 39 VAL HB H 1 1.999 0.03 . 1 . . . . . . . . 6339 1 365 . 1 1 39 39 VAL CG2 C 13 22.358 0.3 . 1 . . . . . . . . 6339 1 366 . 1 1 39 39 VAL HG21 H 1 1.030 0.03 . 2 . . . . . . . . 6339 1 367 . 1 1 39 39 VAL HG22 H 1 1.030 0.03 . 2 . . . . . . . . 6339 1 368 . 1 1 39 39 VAL HG23 H 1 1.030 0.03 . 2 . . . . . . . . 6339 1 369 . 1 1 39 39 VAL CG1 C 13 22.358 0.3 . 1 . . . . . . . . 6339 1 370 . 1 1 39 39 VAL HG11 H 1 0.640 0.03 . 2 . . . . . . . . 6339 1 371 . 1 1 39 39 VAL HG12 H 1 0.640 0.03 . 2 . . . . . . . . 6339 1 372 . 1 1 39 39 VAL HG13 H 1 0.640 0.03 . 2 . . . . . . . . 6339 1 373 . 1 1 39 39 VAL C C 13 173.148 0.3 . 1 . . . . . . . . 6339 1 374 . 1 1 40 40 GLU N N 15 126.494 0.3 . 1 . . . . . . . . 6339 1 375 . 1 1 40 40 GLU H H 1 8.721 0.03 . 1 . . . . . . . . 6339 1 376 . 1 1 40 40 GLU CA C 13 54.829 0.3 . 1 . . . . . . . . 6339 1 377 . 1 1 40 40 GLU HA H 1 4.984 0.03 . 1 . . . . . . . . 6339 1 378 . 1 1 40 40 GLU CB C 13 32.574 0.3 . 1 . . . . . . . . 6339 1 379 . 1 1 40 40 GLU HB3 H 1 1.763 0.03 . 2 . . . . . . . . 6339 1 380 . 1 1 40 40 GLU HB2 H 1 1.880 0.03 . 2 . . . . . . . . 6339 1 381 . 1 1 40 40 GLU CG C 13 35.900 0.3 . 1 . . . . . . . . 6339 1 382 . 1 1 40 40 GLU HG3 H 1 2.120 0.03 . 2 . . . . . . . . 6339 1 383 . 1 1 40 40 GLU HG2 H 1 2.293 0.03 . 2 . . . . . . . . 6339 1 384 . 1 1 41 41 TYR N N 15 125.787 0.3 . 1 . . . . . . . . 6339 1 385 . 1 1 41 41 TYR H H 1 9.082 0.03 . 1 . . . . . . . . 6339 1 386 . 1 1 41 41 TYR CA C 13 57.361 0.3 . 1 . . . . . . . . 6339 1 387 . 1 1 41 41 TYR HA H 1 4.840 0.03 . 1 . . . . . . . . 6339 1 388 . 1 1 41 41 TYR CB C 13 40.742 0.3 . 1 . . . . . . . . 6339 1 389 . 1 1 41 41 TYR HB3 H 1 2.290 0.03 . 2 . . . . . . . . 6339 1 390 . 1 1 41 41 TYR HB2 H 1 2.256 0.03 . 2 . . . . . . . . 6339 1 391 . 1 1 41 41 TYR HD1 H 1 6.553 0.03 . 3 . . . . . . . . 6339 1 392 . 1 1 41 41 TYR HE1 H 1 6.663 0.03 . 3 . . . . . . . . 6339 1 393 . 1 1 42 42 LEU N N 15 123.382 0.3 . 1 . . . . . . . . 6339 1 394 . 1 1 42 42 LEU H H 1 9.211 0.03 . 1 . . . . . . . . 6339 1 395 . 1 1 42 42 LEU CA C 13 53.642 0.3 . 1 . . . . . . . . 6339 1 396 . 1 1 42 42 LEU HA H 1 4.707 0.03 . 1 . . . . . . . . 6339 1 397 . 1 1 42 42 LEU CB C 13 44.859 0.3 . 1 . . . . . . . . 6339 1 398 . 1 1 42 42 LEU HB3 H 1 1.664 0.03 . 2 . . . . . . . . 6339 1 399 . 1 1 42 42 LEU HB2 H 1 1.100 0.03 . 2 . . . . . . . . 6339 1 400 . 1 1 42 42 LEU CG C 13 27.260 0.3 . 1 . . . . . . . . 6339 1 401 . 1 1 42 42 LEU HG H 1 1.159 0.03 . 1 . . . . . . . . 6339 1 402 . 1 1 42 42 LEU CD1 C 13 25.399 0.3 . 1 . . . . . . . . 6339 1 403 . 1 1 42 42 LEU HD11 H 1 0.704 0.03 . 2 . . . . . . . . 6339 1 404 . 1 1 42 42 LEU HD12 H 1 0.704 0.03 . 2 . . . . . . . . 6339 1 405 . 1 1 42 42 LEU HD13 H 1 0.704 0.03 . 2 . . . . . . . . 6339 1 406 . 1 1 42 42 LEU CD2 C 13 23.323 0.3 . 1 . . . . . . . . 6339 1 407 . 1 1 42 42 LEU HD21 H 1 0.630 0.03 . 2 . . . . . . . . 6339 1 408 . 1 1 42 42 LEU HD22 H 1 0.630 0.03 . 2 . . . . . . . . 6339 1 409 . 1 1 42 42 LEU HD23 H 1 0.630 0.03 . 2 . . . . . . . . 6339 1 410 . 1 1 42 42 LEU C C 13 175.080 0.3 . 1 . . . . . . . . 6339 1 411 . 1 1 43 43 ALA N N 15 130.596 0.3 . 1 . . . . . . . . 6339 1 412 . 1 1 43 43 ALA H H 1 8.747 0.03 . 1 . . . . . . . . 6339 1 413 . 1 1 43 43 ALA CA C 13 50.079 0.3 . 1 . . . . . . . . 6339 1 414 . 1 1 43 43 ALA HA H 1 5.090 0.03 . 1 . . . . . . . . 6339 1 415 . 1 1 43 43 ALA CB C 13 20.083 0.3 . 1 . . . . . . . . 6339 1 416 . 1 1 43 43 ALA HB1 H 1 0.983 0.03 . 1 . . . . . . . . 6339 1 417 . 1 1 43 43 ALA HB2 H 1 0.983 0.03 . 1 . . . . . . . . 6339 1 418 . 1 1 43 43 ALA HB3 H 1 0.983 0.03 . 1 . . . . . . . . 6339 1 419 . 1 1 43 43 ALA C C 13 174.876 0.3 . 1 . . . . . . . . 6339 1 420 . 1 1 44 44 LYS N N 15 123.948 0.3 . 1 . . . . . . . . 6339 1 421 . 1 1 44 44 LYS H H 1 8.645 0.03 . 1 . . . . . . . . 6339 1 422 . 1 1 44 44 LYS CA C 13 55.527 0.3 . 1 . . . . . . . . 6339 1 423 . 1 1 44 44 LYS HA H 1 4.980 0.03 . 1 . . . . . . . . 6339 1 424 . 1 1 44 44 LYS CB C 13 33.280 0.3 . 1 . . . . . . . . 6339 1 425 . 1 1 44 44 LYS HB3 H 1 1.751 0.03 . 2 . . . . . . . . 6339 1 426 . 1 1 44 44 LYS HB2 H 1 1.561 0.03 . 2 . . . . . . . . 6339 1 427 . 1 1 44 44 LYS CG C 13 24.568 0.3 . 1 . . . . . . . . 6339 1 428 . 1 1 44 44 LYS HG3 H 1 1.321 0.03 . 2 . . . . . . . . 6339 1 429 . 1 1 44 44 LYS CD C 13 28.974 0.3 . 1 . . . . . . . . 6339 1 430 . 1 1 44 44 LYS HD3 H 1 1.677 0.03 . 2 . . . . . . . . 6339 1 431 . 1 1 44 44 LYS CE C 13 42.008 0.3 . 1 . . . . . . . . 6339 1 432 . 1 1 44 44 LYS HE3 H 1 2.828 0.03 . 2 . . . . . . . . 6339 1 433 . 1 1 44 44 LYS C C 13 175.381 0.3 . 1 . . . . . . . . 6339 1 434 . 1 1 45 45 VAL N N 15 123.099 0.3 . 1 . . . . . . . . 6339 1 435 . 1 1 45 45 VAL H H 1 8.838 0.03 . 1 . . . . . . . . 6339 1 436 . 1 1 45 45 VAL CA C 13 59.872 0.3 . 1 . . . . . . . . 6339 1 437 . 1 1 45 45 VAL HA H 1 4.988 0.03 . 1 . . . . . . . . 6339 1 438 . 1 1 45 45 VAL CB C 13 35.315 0.3 . 1 . . . . . . . . 6339 1 439 . 1 1 45 45 VAL HB H 1 1.910 0.03 . 1 . . . . . . . . 6339 1 440 . 1 1 45 45 VAL CG2 C 13 22.250 0.3 . 1 . . . . . . . . 6339 1 441 . 1 1 45 45 VAL HG21 H 1 0.755 0.03 . 2 . . . . . . . . 6339 1 442 . 1 1 45 45 VAL HG22 H 1 0.755 0.03 . 2 . . . . . . . . 6339 1 443 . 1 1 45 45 VAL HG23 H 1 0.755 0.03 . 2 . . . . . . . . 6339 1 444 . 1 1 45 45 VAL CG1 C 13 22.250 0.3 . 1 . . . . . . . . 6339 1 445 . 1 1 45 45 VAL HG11 H 1 0.750 0.03 . 2 . . . . . . . . 6339 1 446 . 1 1 45 45 VAL HG12 H 1 0.750 0.03 . 2 . . . . . . . . 6339 1 447 . 1 1 45 45 VAL HG13 H 1 0.750 0.03 . 2 . . . . . . . . 6339 1 448 . 1 1 45 45 VAL C C 13 174.948 0.3 . 1 . . . . . . . . 6339 1 449 . 1 1 46 46 SER N N 15 121.967 0.3 . 1 . . . . . . . . 6339 1 450 . 1 1 46 46 SER H H 1 8.924 0.03 . 1 . . . . . . . . 6339 1 451 . 1 1 46 46 SER CA C 13 57.361 0.3 . 1 . . . . . . . . 6339 1 452 . 1 1 46 46 SER HA H 1 5.301 0.03 . 1 . . . . . . . . 6339 1 453 . 1 1 46 46 SER CB C 13 65.368 0.3 . 1 . . . . . . . . 6339 1 454 . 1 1 46 46 SER HB3 H 1 3.641 0.03 . 2 . . . . . . . . 6339 1 455 . 1 1 46 46 SER HB2 H 1 3.730 0.03 . 2 . . . . . . . . 6339 1 456 . 1 1 46 46 SER C C 13 174.862 0.3 . 1 . . . . . . . . 6339 1 457 . 1 1 47 47 VAL N N 15 125.928 0.3 . 1 . . . . . . . . 6339 1 458 . 1 1 47 47 VAL H H 1 9.067 0.03 . 1 . . . . . . . . 6339 1 459 . 1 1 47 47 VAL CA C 13 60.384 0.3 . 1 . . . . . . . . 6339 1 460 . 1 1 47 47 VAL HA H 1 5.150 0.03 . 1 . . . . . . . . 6339 1 461 . 1 1 47 47 VAL CB C 13 34.993 0.3 . 1 . . . . . . . . 6339 1 462 . 1 1 47 47 VAL HB H 1 1.900 0.03 . 1 . . . . . . . . 6339 1 463 . 1 1 47 47 VAL CG2 C 13 22.165 0.3 . 1 . . . . . . . . 6339 1 464 . 1 1 47 47 VAL HG21 H 1 0.960 0.03 . 2 . . . . . . . . 6339 1 465 . 1 1 47 47 VAL HG22 H 1 0.960 0.03 . 2 . . . . . . . . 6339 1 466 . 1 1 47 47 VAL HG23 H 1 0.960 0.03 . 2 . . . . . . . . 6339 1 467 . 1 1 47 47 VAL CG1 C 13 18.773 0.3 . 1 . . . . . . . . 6339 1 468 . 1 1 47 47 VAL HG11 H 1 0.863 0.03 . 2 . . . . . . . . 6339 1 469 . 1 1 47 47 VAL HG12 H 1 0.863 0.03 . 2 . . . . . . . . 6339 1 470 . 1 1 47 47 VAL HG13 H 1 0.863 0.03 . 2 . . . . . . . . 6339 1 471 . 1 1 47 47 VAL C C 13 175.821 0.3 . 1 . . . . . . . . 6339 1 472 . 1 1 48 48 THR N N 15 121.967 0.3 . 1 . . . . . . . . 6339 1 473 . 1 1 48 48 THR H H 1 9.243 0.03 . 1 . . . . . . . . 6339 1 474 . 1 1 48 48 THR CA C 13 61.963 0.3 . 1 . . . . . . . . 6339 1 475 . 1 1 48 48 THR HA H 1 4.586 0.03 . 1 . . . . . . . . 6339 1 476 . 1 1 48 48 THR CB C 13 70.034 0.3 . 1 . . . . . . . . 6339 1 477 . 1 1 48 48 THR HB H 1 4.158 0.03 . 1 . . . . . . . . 6339 1 478 . 1 1 48 48 THR CG2 C 13 22.115 0.3 . 1 . . . . . . . . 6339 1 479 . 1 1 48 48 THR HG21 H 1 1.168 0.03 . 1 . . . . . . . . 6339 1 480 . 1 1 48 48 THR HG22 H 1 1.168 0.03 . 1 . . . . . . . . 6339 1 481 . 1 1 48 48 THR HG23 H 1 1.168 0.03 . 1 . . . . . . . . 6339 1 482 . 1 1 48 48 THR C C 13 172.696 0.3 . 1 . . . . . . . . 6339 1 483 . 1 1 49 49 ASN N N 15 116.733 0.3 . 1 . . . . . . . . 6339 1 484 . 1 1 49 49 ASN H H 1 7.672 0.03 . 1 . . . . . . . . 6339 1 485 . 1 1 49 49 ASN CA C 13 49.207 0.3 . 1 . . . . . . . . 6339 1 486 . 1 1 49 49 ASN HA H 1 5.226 0.03 . 1 . . . . . . . . 6339 1 487 . 1 1 49 49 ASN CB C 13 41.591 0.3 . 1 . . . . . . . . 6339 1 488 . 1 1 49 49 ASN HB3 H 1 2.830 0.03 . 2 . . . . . . . . 6339 1 489 . 1 1 49 49 ASN HB2 H 1 3.510 0.03 . 2 . . . . . . . . 6339 1 490 . 1 1 49 49 ASN ND2 N 15 107.962 0.3 . 1 . . . . . . . . 6339 1 491 . 1 1 49 49 ASN HD21 H 1 6.759 0.03 . 2 . . . . . . . . 6339 1 492 . 1 1 49 49 ASN HD22 H 1 6.400 0.03 . 2 . . . . . . . . 6339 1 493 . 1 1 50 50 PRO CA C 13 62.525 0.3 . 1 . . . . . . . . 6339 1 494 . 1 1 50 50 PRO HA H 1 4.430 0.03 . 1 . . . . . . . . 6339 1 495 . 1 1 50 50 PRO CB C 13 32.770 0.3 . 1 . . . . . . . . 6339 1 496 . 1 1 50 50 PRO HB3 H 1 2.306 0.03 . 2 . . . . . . . . 6339 1 497 . 1 1 50 50 PRO HB2 H 1 1.998 0.03 . 2 . . . . . . . . 6339 1 498 . 1 1 50 50 PRO CG C 13 25.395 0.3 . 1 . . . . . . . . 6339 1 499 . 1 1 50 50 PRO HG3 H 1 2.075 0.03 . 2 . . . . . . . . 6339 1 500 . 1 1 50 50 PRO CD C 13 51.300 0.3 . 1 . . . . . . . . 6339 1 501 . 1 1 50 50 PRO C C 13 176.860 0.3 . 1 . . . . . . . . 6339 1 502 . 1 1 51 51 TYR N N 15 119.704 0.3 . 1 . . . . . . . . 6339 1 503 . 1 1 51 51 TYR H H 1 7.931 0.03 . 1 . . . . . . . . 6339 1 504 . 1 1 51 51 TYR CA C 13 59.172 0.3 . 1 . . . . . . . . 6339 1 505 . 1 1 51 51 TYR HA H 1 4.267 0.03 . 1 . . . . . . . . 6339 1 506 . 1 1 51 51 TYR CB C 13 38.787 0.3 . 1 . . . . . . . . 6339 1 507 . 1 1 51 51 TYR HB3 H 1 3.147 0.03 . 2 . . . . . . . . 6339 1 508 . 1 1 51 51 TYR HB2 H 1 2.572 0.03 . 2 . . . . . . . . 6339 1 509 . 1 1 51 51 TYR CD1 C 13 133.837 0.3 . 3 . . . . . . . . 6339 1 510 . 1 1 51 51 TYR HD1 H 1 6.886 0.03 . 3 . . . . . . . . 6339 1 511 . 1 1 51 51 TYR HE1 H 1 6.611 0.03 . 3 . . . . . . . . 6339 1 512 . 1 1 51 51 TYR C C 13 175.638 0.3 . 1 . . . . . . . . 6339 1 513 . 1 1 52 52 SER N N 15 113.762 0.3 . 1 . . . . . . . . 6339 1 514 . 1 1 52 52 SER H H 1 8.788 0.03 . 1 . . . . . . . . 6339 1 515 . 1 1 52 52 SER CA C 13 59.011 0.3 . 1 . . . . . . . . 6339 1 516 . 1 1 52 52 SER HA H 1 4.220 0.03 . 1 . . . . . . . . 6339 1 517 . 1 1 52 52 SER CB C 13 63.200 0.3 . 1 . . . . . . . . 6339 1 518 . 1 1 52 52 SER HB3 H 1 3.960 0.03 . 2 . . . . . . . . 6339 1 519 . 1 1 52 52 SER HB2 H 1 4.055 0.03 . 2 . . . . . . . . 6339 1 520 . 1 1 52 52 SER C C 13 172.366 0.3 . 1 . . . . . . . . 6339 1 521 . 1 1 53 53 HIS N N 15 116.591 0.3 . 1 . . . . . . . . 6339 1 522 . 1 1 53 53 HIS H H 1 7.065 0.03 . 1 . . . . . . . . 6339 1 523 . 1 1 53 53 HIS CA C 13 53.524 0.3 . 1 . . . . . . . . 6339 1 524 . 1 1 53 53 HIS HA H 1 4.882 0.03 . 1 . . . . . . . . 6339 1 525 . 1 1 53 53 HIS CB C 13 32.289 0.3 . 1 . . . . . . . . 6339 1 526 . 1 1 53 53 HIS HB3 H 1 3.182 0.03 . 2 . . . . . . . . 6339 1 527 . 1 1 53 53 HIS HB2 H 1 3.143 0.03 . 2 . . . . . . . . 6339 1 528 . 1 1 53 53 HIS CE1 C 13 137.938 0.3 . 1 . . . . . . . . 6339 1 529 . 1 1 53 53 HIS HE1 H 1 7.455 0.03 . 4 . . . . . . . . 6339 1 530 . 1 1 53 53 HIS C C 13 173.724 0.3 . 1 . . . . . . . . 6339 1 531 . 1 1 54 54 SER N N 15 116.026 0.3 . 1 . . . . . . . . 6339 1 532 . 1 1 54 54 SER H H 1 8.764 0.03 . 1 . . . . . . . . 6339 1 533 . 1 1 54 54 SER CA C 13 58.062 0.3 . 1 . . . . . . . . 6339 1 534 . 1 1 54 54 SER HA H 1 4.544 0.03 . 1 . . . . . . . . 6339 1 535 . 1 1 54 54 SER CB C 13 63.844 0.3 . 1 . . . . . . . . 6339 1 536 . 1 1 54 54 SER HB3 H 1 3.815 0.03 . 2 . . . . . . . . 6339 1 537 . 1 1 54 54 SER C C 13 174.944 0.3 . 1 . . . . . . . . 6339 1 538 . 1 1 55 55 ILE N N 15 123.665 0.3 . 1 . . . . . . . . 6339 1 539 . 1 1 55 55 ILE H H 1 7.920 0.03 . 1 . . . . . . . . 6339 1 540 . 1 1 55 55 ILE CA C 13 56.570 0.3 . 1 . . . . . . . . 6339 1 541 . 1 1 55 55 ILE HA H 1 4.890 0.03 . 1 . . . . . . . . 6339 1 542 . 1 1 55 55 ILE CB C 13 41.692 0.3 . 1 . . . . . . . . 6339 1 543 . 1 1 55 55 ILE HB H 1 1.714 0.03 . 1 . . . . . . . . 6339 1 544 . 1 1 55 55 ILE CG1 C 13 26.650 0.3 . 2 . . . . . . . . 6339 1 545 . 1 1 55 55 ILE HG13 H 1 1.429 0.03 . 1 . . . . . . . . 6339 1 546 . 1 1 55 55 ILE HG12 H 1 1.250 0.03 . 1 . . . . . . . . 6339 1 547 . 1 1 55 55 ILE CD1 C 13 17.386 0.3 . 1 . . . . . . . . 6339 1 548 . 1 1 55 55 ILE HD11 H 1 0.883 0.03 . 1 . . . . . . . . 6339 1 549 . 1 1 55 55 ILE HD12 H 1 0.883 0.03 . 1 . . . . . . . . 6339 1 550 . 1 1 55 55 ILE HD13 H 1 0.883 0.03 . 1 . . . . . . . . 6339 1 551 . 1 1 55 55 ILE CG2 C 13 12.850 0.3 . 1 . . . . . . . . 6339 1 552 . 1 1 55 55 ILE HG21 H 1 0.578 0.03 . 1 . . . . . . . . 6339 1 553 . 1 1 55 55 ILE HG22 H 1 0.578 0.03 . 1 . . . . . . . . 6339 1 554 . 1 1 55 55 ILE HG23 H 1 0.578 0.03 . 1 . . . . . . . . 6339 1 555 . 1 1 56 56 PRO CA C 13 63.880 0.3 . 1 . . . . . . . . 6339 1 556 . 1 1 56 56 PRO HA H 1 4.445 0.03 . 1 . . . . . . . . 6339 1 557 . 1 1 56 56 PRO CB C 13 32.793 0.3 . 1 . . . . . . . . 6339 1 558 . 1 1 56 56 PRO HB3 H 1 1.904 0.03 . 2 . . . . . . . . 6339 1 559 . 1 1 56 56 PRO HB2 H 1 2.279 0.03 . 2 . . . . . . . . 6339 1 560 . 1 1 56 56 PRO CG C 13 27.532 0.3 . 1 . . . . . . . . 6339 1 561 . 1 1 56 56 PRO HG3 H 1 2.014 0.03 . 2 . . . . . . . . 6339 1 562 . 1 1 56 56 PRO HG2 H 1 2.268 0.03 . 2 . . . . . . . . 6339 1 563 . 1 1 56 56 PRO CD C 13 51.656 0.3 . 1 . . . . . . . . 6339 1 564 . 1 1 56 56 PRO HD3 H 1 4.000 0.03 . 2 . . . . . . . . 6339 1 565 . 1 1 56 56 PRO C C 13 175.133 0.3 . 1 . . . . . . . . 6339 1 566 . 1 1 57 57 ILE N N 15 120.694 0.3 . 1 . . . . . . . . 6339 1 567 . 1 1 57 57 ILE H H 1 8.348 0.03 . 1 . . . . . . . . 6339 1 568 . 1 1 57 57 ILE CA C 13 60.786 0.3 . 1 . . . . . . . . 6339 1 569 . 1 1 57 57 ILE HA H 1 4.348 0.03 . 1 . . . . . . . . 6339 1 570 . 1 1 57 57 ILE CB C 13 38.825 0.3 . 1 . . . . . . . . 6339 1 571 . 1 1 57 57 ILE HB H 1 1.961 0.03 . 1 . . . . . . . . 6339 1 572 . 1 1 57 57 ILE CG1 C 13 27.206 0.3 . 2 . . . . . . . . 6339 1 573 . 1 1 57 57 ILE HG13 H 1 1.756 0.03 . 1 . . . . . . . . 6339 1 574 . 1 1 57 57 ILE HG12 H 1 1.204 0.03 . 1 . . . . . . . . 6339 1 575 . 1 1 57 57 ILE CD1 C 13 14.709 0.3 . 1 . . . . . . . . 6339 1 576 . 1 1 57 57 ILE HD11 H 1 0.630 0.03 . 1 . . . . . . . . 6339 1 577 . 1 1 57 57 ILE HD12 H 1 0.630 0.03 . 1 . . . . . . . . 6339 1 578 . 1 1 57 57 ILE HD13 H 1 0.630 0.03 . 1 . . . . . . . . 6339 1 579 . 1 1 57 57 ILE CG2 C 13 19.090 0.3 . 1 . . . . . . . . 6339 1 580 . 1 1 57 57 ILE HG21 H 1 0.720 0.03 . 1 . . . . . . . . 6339 1 581 . 1 1 57 57 ILE HG22 H 1 0.720 0.03 . 1 . . . . . . . . 6339 1 582 . 1 1 57 57 ILE HG23 H 1 0.720 0.03 . 1 . . . . . . . . 6339 1 583 . 1 1 57 57 ILE C C 13 175.828 0.3 . 1 . . . . . . . . 6339 1 584 . 1 1 58 58 CYS N N 15 126.777 0.3 . 1 . . . . . . . . 6339 1 585 . 1 1 58 58 CYS H H 1 9.367 0.03 . 1 . . . . . . . . 6339 1 586 . 1 1 58 58 CYS CA C 13 55.910 0.3 . 1 . . . . . . . . 6339 1 587 . 1 1 58 58 CYS HA H 1 4.657 0.03 . 1 . . . . . . . . 6339 1 588 . 1 1 58 58 CYS CB C 13 39.801 0.3 . 1 . . . . . . . . 6339 1 589 . 1 1 58 58 CYS HB3 H 1 3.434 0.03 . 2 . . . . . . . . 6339 1 590 . 1 1 58 58 CYS HB2 H 1 2.390 0.03 . 2 . . . . . . . . 6339 1 591 . 1 1 58 58 CYS C C 13 176.322 0.3 . 1 . . . . . . . . 6339 1 592 . 1 1 59 59 GLU N N 15 116.307 0.3 . 1 . . . . . . . . 6339 1 593 . 1 1 59 59 GLU H H 1 7.749 0.03 . 1 . . . . . . . . 6339 1 594 . 1 1 59 59 GLU CA C 13 56.421 0.3 . 1 . . . . . . . . 6339 1 595 . 1 1 59 59 GLU HA H 1 4.794 0.03 . 1 . . . . . . . . 6339 1 596 . 1 1 59 59 GLU CB C 13 33.845 0.3 . 1 . . . . . . . . 6339 1 597 . 1 1 59 59 GLU HB3 H 1 1.980 0.03 . 2 . . . . . . . . 6339 1 598 . 1 1 59 59 GLU HB2 H 1 1.961 0.03 . 2 . . . . . . . . 6339 1 599 . 1 1 59 59 GLU CG C 13 36.690 0.3 . 1 . . . . . . . . 6339 1 600 . 1 1 59 59 GLU HG3 H 1 2.120 0.03 . 2 . . . . . . . . 6339 1 601 . 1 1 59 59 GLU HG2 H 1 1.961 0.03 . 2 . . . . . . . . 6339 1 602 . 1 1 59 59 GLU C C 13 173.686 0.3 . 1 . . . . . . . . 6339 1 603 . 1 1 60 60 ILE N N 15 123.099 0.3 . 1 . . . . . . . . 6339 1 604 . 1 1 60 60 ILE H H 1 8.623 0.03 . 1 . . . . . . . . 6339 1 605 . 1 1 60 60 ILE CA C 13 60.925 0.3 . 1 . . . . . . . . 6339 1 606 . 1 1 60 60 ILE HA H 1 4.970 0.03 . 1 . . . . . . . . 6339 1 607 . 1 1 60 60 ILE CB C 13 41.169 0.3 . 1 . . . . . . . . 6339 1 608 . 1 1 60 60 ILE HB H 1 1.950 0.03 . 1 . . . . . . . . 6339 1 609 . 1 1 60 60 ILE CG1 C 13 31.920 0.3 . 2 . . . . . . . . 6339 1 610 . 1 1 60 60 ILE HG13 H 1 1.720 0.03 . 1 . . . . . . . . 6339 1 611 . 1 1 60 60 ILE HG12 H 1 2.429 0.03 . 1 . . . . . . . . 6339 1 612 . 1 1 60 60 ILE CD1 C 13 17.660 0.3 . 1 . . . . . . . . 6339 1 613 . 1 1 60 60 ILE HD11 H 1 0.868 0.03 . 1 . . . . . . . . 6339 1 614 . 1 1 60 60 ILE HD12 H 1 0.868 0.03 . 1 . . . . . . . . 6339 1 615 . 1 1 60 60 ILE HD13 H 1 0.868 0.03 . 1 . . . . . . . . 6339 1 616 . 1 1 60 60 ILE CG2 C 13 14.351 0.3 . 1 . . . . . . . . 6339 1 617 . 1 1 60 60 ILE HG21 H 1 0.811 0.03 . 1 . . . . . . . . 6339 1 618 . 1 1 60 60 ILE HG22 H 1 0.811 0.03 . 1 . . . . . . . . 6339 1 619 . 1 1 60 60 ILE HG23 H 1 0.811 0.03 . 1 . . . . . . . . 6339 1 620 . 1 1 60 60 ILE C C 13 174.502 0.3 . 1 . . . . . . . . 6339 1 621 . 1 1 61 61 SER N N 15 122.391 0.3 . 1 . . . . . . . . 6339 1 622 . 1 1 61 61 SER H H 1 9.164 0.03 . 1 . . . . . . . . 6339 1 623 . 1 1 61 61 SER CA C 13 56.451 0.3 . 1 . . . . . . . . 6339 1 624 . 1 1 61 61 SER HA H 1 5.431 0.03 . 1 . . . . . . . . 6339 1 625 . 1 1 61 61 SER CB C 13 66.033 0.3 . 1 . . . . . . . . 6339 1 626 . 1 1 61 61 SER HB3 H 1 3.800 0.03 . 2 . . . . . . . . 6339 1 627 . 1 1 61 61 SER HB2 H 1 3.879 0.03 . 2 . . . . . . . . 6339 1 628 . 1 1 61 61 SER C C 13 173.590 0.3 . 1 . . . . . . . . 6339 1 629 . 1 1 62 62 PHE N N 15 117.445 0.3 . 1 . . . . . . . . 6339 1 630 . 1 1 62 62 PHE H H 1 8.508 0.03 . 1 . . . . . . . . 6339 1 631 . 1 1 62 62 PHE CA C 13 56.377 0.3 . 1 . . . . . . . . 6339 1 632 . 1 1 62 62 PHE HA H 1 6.055 0.03 . 1 . . . . . . . . 6339 1 633 . 1 1 62 62 PHE CB C 13 43.111 0.3 . 1 . . . . . . . . 6339 1 634 . 1 1 62 62 PHE HB3 H 1 2.870 0.03 . 2 . . . . . . . . 6339 1 635 . 1 1 62 62 PHE HB2 H 1 2.820 0.03 . 2 . . . . . . . . 6339 1 636 . 1 1 62 62 PHE HD1 H 1 6.530 0.03 . 3 . . . . . . . . 6339 1 637 . 1 1 62 62 PHE HE1 H 1 7.344 0.03 . 3 . . . . . . . . 6339 1 638 . 1 1 62 62 PHE HZ H 1 6.987 0.03 . 1 . . . . . . . . 6339 1 639 . 1 1 62 62 PHE C C 13 174.426 0.3 . 1 . . . . . . . . 6339 1 640 . 1 1 63 63 THR N N 15 112.913 0.3 . 1 . . . . . . . . 6339 1 641 . 1 1 63 63 THR H H 1 9.033 0.03 . 1 . . . . . . . . 6339 1 642 . 1 1 63 63 THR CA C 13 62.054 0.3 . 1 . . . . . . . . 6339 1 643 . 1 1 63 63 THR HA H 1 4.715 0.03 . 1 . . . . . . . . 6339 1 644 . 1 1 63 63 THR CB C 13 71.712 0.3 . 1 . . . . . . . . 6339 1 645 . 1 1 63 63 THR HB H 1 4.155 0.03 . 1 . . . . . . . . 6339 1 646 . 1 1 63 63 THR CG2 C 13 22.320 0.3 . 1 . . . . . . . . 6339 1 647 . 1 1 63 63 THR HG21 H 1 1.220 0.03 . 1 . . . . . . . . 6339 1 648 . 1 1 63 63 THR HG22 H 1 1.220 0.03 . 1 . . . . . . . . 6339 1 649 . 1 1 63 63 THR HG23 H 1 1.220 0.03 . 1 . . . . . . . . 6339 1 650 . 1 1 63 63 THR C C 13 172.214 0.3 . 1 . . . . . . . . 6339 1 651 . 1 1 64 64 PHE N N 15 128.050 0.3 . 1 . . . . . . . . 6339 1 652 . 1 1 64 64 PHE H H 1 9.260 0.03 . 1 . . . . . . . . 6339 1 653 . 1 1 64 64 PHE CA C 13 56.153 0.3 . 1 . . . . . . . . 6339 1 654 . 1 1 64 64 PHE HA H 1 5.590 0.03 . 1 . . . . . . . . 6339 1 655 . 1 1 64 64 PHE CB C 13 43.879 0.3 . 1 . . . . . . . . 6339 1 656 . 1 1 64 64 PHE HB3 H 1 2.973 0.03 . 2 . . . . . . . . 6339 1 657 . 1 1 64 64 PHE HB2 H 1 2.620 0.03 . 2 . . . . . . . . 6339 1 658 . 1 1 64 64 PHE HD1 H 1 6.431 0.03 . 3 . . . . . . . . 6339 1 659 . 1 1 64 64 PHE HE1 H 1 6.528 0.03 . 3 . . . . . . . . 6339 1 660 . 1 1 64 64 PHE HZ H 1 6.650 0.03 . 1 . . . . . . . . 6339 1 661 . 1 1 64 64 PHE C C 13 173.424 0.3 . 1 . . . . . . . . 6339 1 662 . 1 1 65 65 HIS N N 15 127.767 0.3 . 1 . . . . . . . . 6339 1 663 . 1 1 65 65 HIS H H 1 9.273 0.03 . 1 . . . . . . . . 6339 1 664 . 1 1 65 65 HIS CA C 13 54.542 0.3 . 1 . . . . . . . . 6339 1 665 . 1 1 65 65 HIS HA H 1 5.620 0.03 . 1 . . . . . . . . 6339 1 666 . 1 1 65 65 HIS CB C 13 33.880 0.3 . 1 . . . . . . . . 6339 1 667 . 1 1 65 65 HIS HB3 H 1 2.913 0.03 . 2 . . . . . . . . 6339 1 668 . 1 1 65 65 HIS HB2 H 1 2.800 0.03 . 2 . . . . . . . . 6339 1 669 . 1 1 65 65 HIS HD2 H 1 6.954 0.03 . 4 . . . . . . . . 6339 1 670 . 1 1 65 65 HIS CE1 C 13 138.134 0.3 . 1 . . . . . . . . 6339 1 671 . 1 1 65 65 HIS HE1 H 1 7.978 0.03 . 4 . . . . . . . . 6339 1 672 . 1 1 65 65 HIS C C 13 174.157 0.3 . 1 . . . . . . . . 6339 1 673 . 1 1 66 66 SER N N 15 114.611 0.3 . 1 . . . . . . . . 6339 1 674 . 1 1 66 66 SER H H 1 8.756 0.03 . 1 . . . . . . . . 6339 1 675 . 1 1 66 66 SER CA C 13 58.897 0.3 . 1 . . . . . . . . 6339 1 676 . 1 1 66 66 SER HA H 1 4.632 0.03 . 1 . . . . . . . . 6339 1 677 . 1 1 66 66 SER CB C 13 66.198 0.3 . 1 . . . . . . . . 6339 1 678 . 1 1 66 66 SER HB3 H 1 3.419 0.03 . 2 . . . . . . . . 6339 1 679 . 1 1 66 66 SER HB2 H 1 3.303 0.03 . 2 . . . . . . . . 6339 1 680 . 1 1 66 66 SER C C 13 174.520 0.3 . 1 . . . . . . . . 6339 1 681 . 1 1 67 67 ALA N N 15 130.172 0.3 . 1 . . . . . . . . 6339 1 682 . 1 1 67 67 ALA H H 1 9.007 0.03 . 1 . . . . . . . . 6339 1 683 . 1 1 67 67 ALA CA C 13 53.061 0.3 . 1 . . . . . . . . 6339 1 684 . 1 1 67 67 ALA HA H 1 4.160 0.03 . 1 . . . . . . . . 6339 1 685 . 1 1 67 67 ALA CB C 13 18.200 0.3 . 1 . . . . . . . . 6339 1 686 . 1 1 67 67 ALA HB1 H 1 1.435 0.03 . 1 . . . . . . . . 6339 1 687 . 1 1 67 67 ALA HB2 H 1 1.435 0.03 . 1 . . . . . . . . 6339 1 688 . 1 1 67 67 ALA HB3 H 1 1.435 0.03 . 1 . . . . . . . . 6339 1 689 . 1 1 67 67 ALA C C 13 177.824 0.3 . 1 . . . . . . . . 6339 1 690 . 1 1 68 68 GLY N N 15 104.284 0.3 . 1 . . . . . . . . 6339 1 691 . 1 1 68 68 GLY H H 1 9.116 0.03 . 1 . . . . . . . . 6339 1 692 . 1 1 68 68 GLY CA C 13 45.524 0.3 . 1 . . . . . . . . 6339 1 693 . 1 1 68 68 GLY HA3 H 1 4.121 0.03 . 2 . . . . . . . . 6339 1 694 . 1 1 68 68 GLY HA2 H 1 3.581 0.03 . 2 . . . . . . . . 6339 1 695 . 1 1 68 68 GLY C C 13 174.589 0.3 . 1 . . . . . . . . 6339 1 696 . 1 1 69 69 ARG N N 15 122.109 0.3 . 1 . . . . . . . . 6339 1 697 . 1 1 69 69 ARG H H 1 8.430 0.03 . 1 . . . . . . . . 6339 1 698 . 1 1 69 69 ARG CA C 13 54.746 0.3 . 1 . . . . . . . . 6339 1 699 . 1 1 69 69 ARG HA H 1 4.606 0.03 . 1 . . . . . . . . 6339 1 700 . 1 1 69 69 ARG CB C 13 32.450 0.3 . 1 . . . . . . . . 6339 1 701 . 1 1 69 69 ARG HB3 H 1 1.642 0.03 . 2 . . . . . . . . 6339 1 702 . 1 1 69 69 ARG HB2 H 1 1.863 0.03 . 2 . . . . . . . . 6339 1 703 . 1 1 69 69 ARG CG C 13 26.759 0.3 . 1 . . . . . . . . 6339 1 704 . 1 1 69 69 ARG HG3 H 1 1.779 0.03 . 2 . . . . . . . . 6339 1 705 . 1 1 69 69 ARG CD C 13 43.733 0.3 . 1 . . . . . . . . 6339 1 706 . 1 1 69 69 ARG HD2 H 1 3.080 0.03 . 2 . . . . . . . . 6339 1 707 . 1 1 69 69 ARG NE N 15 84.762 0.3 . 1 . . . . . . . . 6339 1 708 . 1 1 69 69 ARG HE H 1 7.050 0.03 . 1 . . . . . . . . 6339 1 709 . 1 1 69 69 ARG C C 13 174.975 0.3 . 1 . . . . . . . . 6339 1 710 . 1 1 70 70 GLU N N 15 124.655 0.3 . 1 . . . . . . . . 6339 1 711 . 1 1 70 70 GLU H H 1 8.764 0.03 . 1 . . . . . . . . 6339 1 712 . 1 1 70 70 GLU CA C 13 57.638 0.3 . 1 . . . . . . . . 6339 1 713 . 1 1 70 70 GLU HA H 1 3.852 0.03 . 1 . . . . . . . . 6339 1 714 . 1 1 70 70 GLU CB C 13 30.701 0.3 . 1 . . . . . . . . 6339 1 715 . 1 1 70 70 GLU HB3 H 1 1.879 0.03 . 2 . . . . . . . . 6339 1 716 . 1 1 70 70 GLU HB2 H 1 1.975 0.03 . 2 . . . . . . . . 6339 1 717 . 1 1 70 70 GLU CG C 13 36.758 0.3 . 1 . . . . . . . . 6339 1 718 . 1 1 70 70 GLU HG3 H 1 2.203 0.03 . 2 . . . . . . . . 6339 1 719 . 1 1 70 70 GLU HG2 H 1 2.104 0.03 . 2 . . . . . . . . 6339 1 720 . 1 1 70 70 GLU C C 13 176.260 0.3 . 1 . . . . . . . . 6339 1 721 . 1 1 71 71 ILE N N 15 122.109 0.3 . 1 . . . . . . . . 6339 1 722 . 1 1 71 71 ILE H H 1 8.800 0.03 . 1 . . . . . . . . 6339 1 723 . 1 1 71 71 ILE CA C 13 61.996 0.3 . 1 . . . . . . . . 6339 1 724 . 1 1 71 71 ILE HA H 1 4.677 0.03 . 1 . . . . . . . . 6339 1 725 . 1 1 71 71 ILE CB C 13 39.808 0.3 . 1 . . . . . . . . 6339 1 726 . 1 1 71 71 ILE HB H 1 2.075 0.03 . 1 . . . . . . . . 6339 1 727 . 1 1 71 71 ILE CG1 C 13 26.050 0.3 . 2 . . . . . . . . 6339 1 728 . 1 1 71 71 ILE HG13 H 1 1.778 0.03 . 1 . . . . . . . . 6339 1 729 . 1 1 71 71 ILE HG12 H 1 2.159 0.03 . 1 . . . . . . . . 6339 1 730 . 1 1 71 71 ILE CD1 C 13 17.983 0.3 . 1 . . . . . . . . 6339 1 731 . 1 1 71 71 ILE HD11 H 1 0.826 0.03 . 1 . . . . . . . . 6339 1 732 . 1 1 71 71 ILE HD12 H 1 0.826 0.03 . 1 . . . . . . . . 6339 1 733 . 1 1 71 71 ILE HD13 H 1 0.826 0.03 . 1 . . . . . . . . 6339 1 734 . 1 1 71 71 ILE CG2 C 13 13.887 0.3 . 1 . . . . . . . . 6339 1 735 . 1 1 71 71 ILE HG21 H 1 0.645 0.03 . 1 . . . . . . . . 6339 1 736 . 1 1 71 71 ILE HG22 H 1 0.645 0.03 . 1 . . . . . . . . 6339 1 737 . 1 1 71 71 ILE HG23 H 1 0.645 0.03 . 1 . . . . . . . . 6339 1 738 . 1 1 71 71 ILE C C 13 174.968 0.3 . 1 . . . . . . . . 6339 1 739 . 1 1 72 72 GLY N N 15 107.679 0.3 . 1 . . . . . . . . 6339 1 740 . 1 1 72 72 GLY H H 1 8.058 0.03 . 1 . . . . . . . . 6339 1 741 . 1 1 72 72 GLY CA C 13 45.783 0.3 . 1 . . . . . . . . 6339 1 742 . 1 1 72 72 GLY HA3 H 1 4.727 0.03 . 2 . . . . . . . . 6339 1 743 . 1 1 72 72 GLY HA2 H 1 3.770 0.03 . 2 . . . . . . . . 6339 1 744 . 1 1 72 72 GLY C C 13 170.660 0.3 . 1 . . . . . . . . 6339 1 745 . 1 1 73 73 LYS N N 15 119.138 0.3 . 1 . . . . . . . . 6339 1 746 . 1 1 73 73 LYS H H 1 8.403 0.03 . 1 . . . . . . . . 6339 1 747 . 1 1 73 73 LYS CA C 13 56.178 0.3 . 1 . . . . . . . . 6339 1 748 . 1 1 73 73 LYS HA H 1 4.545 0.03 . 1 . . . . . . . . 6339 1 749 . 1 1 73 73 LYS CB C 13 34.835 0.3 . 1 . . . . . . . . 6339 1 750 . 1 1 73 73 LYS HB3 H 1 1.830 0.03 . 2 . . . . . . . . 6339 1 751 . 1 1 73 73 LYS HB2 H 1 1.890 0.03 . 2 . . . . . . . . 6339 1 752 . 1 1 73 73 LYS CG C 13 23.312 0.3 . 1 . . . . . . . . 6339 1 753 . 1 1 73 73 LYS HG3 H 1 1.593 0.03 . 2 . . . . . . . . 6339 1 754 . 1 1 73 73 LYS HG2 H 1 1.796 0.03 . 2 . . . . . . . . 6339 1 755 . 1 1 73 73 LYS CD C 13 29.514 0.3 . 1 . . . . . . . . 6339 1 756 . 1 1 73 73 LYS HD3 H 1 1.228 0.03 . 2 . . . . . . . . 6339 1 757 . 1 1 73 73 LYS HD2 H 1 1.266 0.03 . 2 . . . . . . . . 6339 1 758 . 1 1 73 73 LYS CE C 13 42.049 0.3 . 1 . . . . . . . . 6339 1 759 . 1 1 73 73 LYS HE3 H 1 2.871 0.03 . 2 . . . . . . . . 6339 1 760 . 1 1 73 73 LYS C C 13 174.445 0.3 . 1 . . . . . . . . 6339 1 761 . 1 1 74 74 GLY N N 15 107.821 0.3 . 1 . . . . . . . . 6339 1 762 . 1 1 74 74 GLY H H 1 7.012 0.03 . 1 . . . . . . . . 6339 1 763 . 1 1 74 74 GLY CA C 13 45.784 0.3 . 1 . . . . . . . . 6339 1 764 . 1 1 74 74 GLY HA3 H 1 3.939 0.03 . 2 . . . . . . . . 6339 1 765 . 1 1 74 74 GLY HA2 H 1 3.607 0.03 . 2 . . . . . . . . 6339 1 766 . 1 1 74 74 GLY C C 13 170.592 0.3 . 1 . . . . . . . . 6339 1 767 . 1 1 75 75 LYS N N 15 117.865 0.3 . 1 . . . . . . . . 6339 1 768 . 1 1 75 75 LYS H H 1 8.099 0.03 . 1 . . . . . . . . 6339 1 769 . 1 1 75 75 LYS CA C 13 55.396 0.3 . 1 . . . . . . . . 6339 1 770 . 1 1 75 75 LYS HA H 1 5.240 0.03 . 1 . . . . . . . . 6339 1 771 . 1 1 75 75 LYS CB C 13 36.356 0.3 . 1 . . . . . . . . 6339 1 772 . 1 1 75 75 LYS HB3 H 1 1.597 0.03 . 2 . . . . . . . . 6339 1 773 . 1 1 75 75 LYS HB2 H 1 1.646 0.03 . 2 . . . . . . . . 6339 1 774 . 1 1 75 75 LYS CG C 13 24.946 0.3 . 1 . . . . . . . . 6339 1 775 . 1 1 75 75 LYS HG3 H 1 1.248 0.03 . 2 . . . . . . . . 6339 1 776 . 1 1 75 75 LYS CD C 13 29.300 0.3 . 1 . . . . . . . . 6339 1 777 . 1 1 75 75 LYS CE C 13 42.000 0.3 . 1 . . . . . . . . 6339 1 778 . 1 1 75 75 LYS HE3 H 1 2.847 0.03 . 2 . . . . . . . . 6339 1 779 . 1 1 75 75 LYS C C 13 175.573 0.3 . 1 . . . . . . . . 6339 1 780 . 1 1 76 76 ILE N N 15 124.938 0.3 . 1 . . . . . . . . 6339 1 781 . 1 1 76 76 ILE H H 1 9.173 0.03 . 1 . . . . . . . . 6339 1 782 . 1 1 76 76 ILE CA C 13 57.843 0.3 . 1 . . . . . . . . 6339 1 783 . 1 1 76 76 ILE HA H 1 4.696 0.03 . 1 . . . . . . . . 6339 1 784 . 1 1 76 76 ILE CB C 13 40.393 0.3 . 1 . . . . . . . . 6339 1 785 . 1 1 76 76 ILE HB H 1 1.960 0.03 . 1 . . . . . . . . 6339 1 786 . 1 1 76 76 ILE CG1 C 13 27.380 0.3 . 2 . . . . . . . . 6339 1 787 . 1 1 76 76 ILE HG13 H 1 1.567 0.03 . 1 . . . . . . . . 6339 1 788 . 1 1 76 76 ILE HG12 H 1 1.364 0.03 . 1 . . . . . . . . 6339 1 789 . 1 1 76 76 ILE CD1 C 13 13.580 0.3 . 1 . . . . . . . . 6339 1 790 . 1 1 76 76 ILE HD11 H 1 1.000 0.03 . 1 . . . . . . . . 6339 1 791 . 1 1 76 76 ILE HD12 H 1 1.000 0.03 . 1 . . . . . . . . 6339 1 792 . 1 1 76 76 ILE HD13 H 1 1.000 0.03 . 1 . . . . . . . . 6339 1 793 . 1 1 76 76 ILE CG2 C 13 14.990 0.3 . 1 . . . . . . . . 6339 1 794 . 1 1 77 77 PRO CA C 13 62.438 0.3 . 1 . . . . . . . . 6339 1 795 . 1 1 77 77 PRO HA H 1 4.657 0.03 . 1 . . . . . . . . 6339 1 796 . 1 1 77 77 PRO CB C 13 32.636 0.3 . 1 . . . . . . . . 6339 1 797 . 1 1 77 77 PRO HB3 H 1 2.000 0.03 . 2 . . . . . . . . 6339 1 798 . 1 1 77 77 PRO HB2 H 1 2.131 0.03 . 2 . . . . . . . . 6339 1 799 . 1 1 77 77 PRO HG3 H 1 2.296 0.03 . 2 . . . . . . . . 6339 1 800 . 1 1 77 77 PRO HD3 H 1 3.588 0.03 . 2 . . . . . . . . 6339 1 801 . 1 1 77 77 PRO HD2 H 1 3.833 0.03 . 2 . . . . . . . . 6339 1 802 . 1 1 78 78 ASP N N 15 116.309 0.3 . 1 . . . . . . . . 6339 1 803 . 1 1 78 78 ASP H H 1 8.172 0.03 . 1 . . . . . . . . 6339 1 804 . 1 1 78 78 ASP CA C 13 54.430 0.3 . 1 . . . . . . . . 6339 1 805 . 1 1 78 78 ASP HA H 1 4.651 0.03 . 1 . . . . . . . . 6339 1 806 . 1 1 78 78 ASP CB C 13 41.569 0.3 . 1 . . . . . . . . 6339 1 807 . 1 1 78 78 ASP HB3 H 1 2.790 0.03 . 2 . . . . . . . . 6339 1 808 . 1 1 78 78 ASP HB2 H 1 2.538 0.03 . 2 . . . . . . . . 6339 1 809 . 1 1 79 79 PRO CA C 13 64.473 0.3 . 1 . . . . . . . . 6339 1 810 . 1 1 79 79 PRO HA H 1 4.417 0.03 . 1 . . . . . . . . 6339 1 811 . 1 1 79 79 PRO CB C 13 31.999 0.3 . 1 . . . . . . . . 6339 1 812 . 1 1 79 79 PRO HB3 H 1 1.940 0.03 . 2 . . . . . . . . 6339 1 813 . 1 1 79 79 PRO HB2 H 1 1.738 0.03 . 2 . . . . . . . . 6339 1 814 . 1 1 79 79 PRO CG C 13 27.453 0.3 . 1 . . . . . . . . 6339 1 815 . 1 1 79 79 PRO CD C 13 49.530 0.3 . 1 . . . . . . . . 6339 1 816 . 1 1 79 79 PRO HD3 H 1 3.592 0.03 . 2 . . . . . . . . 6339 1 817 . 1 1 79 79 PRO HD2 H 1 3.640 0.03 . 2 . . . . . . . . 6339 1 818 . 1 1 79 79 PRO C C 13 176.528 0.3 . 1 . . . . . . . . 6339 1 819 . 1 1 80 80 GLY N N 15 107.113 0.3 . 1 . . . . . . . . 6339 1 820 . 1 1 80 80 GLY H H 1 7.923 0.03 . 1 . . . . . . . . 6339 1 821 . 1 1 80 80 GLY CA C 13 44.960 0.3 . 1 . . . . . . . . 6339 1 822 . 1 1 80 80 GLY HA3 H 1 4.364 0.03 . 2 . . . . . . . . 6339 1 823 . 1 1 80 80 GLY HA2 H 1 3.819 0.03 . 2 . . . . . . . . 6339 1 824 . 1 1 80 80 GLY C C 13 171.971 0.3 . 1 . . . . . . . . 6339 1 825 . 1 1 81 81 SER N N 15 114.469 0.3 . 1 . . . . . . . . 6339 1 826 . 1 1 81 81 SER H H 1 8.200 0.03 . 1 . . . . . . . . 6339 1 827 . 1 1 81 81 SER CA C 13 57.263 0.3 . 1 . . . . . . . . 6339 1 828 . 1 1 81 81 SER HA H 1 5.153 0.03 . 1 . . . . . . . . 6339 1 829 . 1 1 81 81 SER CB C 13 66.616 0.3 . 1 . . . . . . . . 6339 1 830 . 1 1 81 81 SER HB3 H 1 3.478 0.03 . 2 . . . . . . . . 6339 1 831 . 1 1 81 81 SER HB2 H 1 3.590 0.03 . 2 . . . . . . . . 6339 1 832 . 1 1 81 81 SER C C 13 173.653 0.3 . 1 . . . . . . . . 6339 1 833 . 1 1 82 82 LEU N N 15 120.977 0.3 . 1 . . . . . . . . 6339 1 834 . 1 1 82 82 LEU H H 1 9.350 0.03 . 1 . . . . . . . . 6339 1 835 . 1 1 82 82 LEU CA C 13 53.280 0.3 . 1 . . . . . . . . 6339 1 836 . 1 1 82 82 LEU HA H 1 4.688 0.03 . 1 . . . . . . . . 6339 1 837 . 1 1 82 82 LEU CB C 13 41.751 0.3 . 1 . . . . . . . . 6339 1 838 . 1 1 82 82 LEU HB3 H 1 1.621 0.03 . 2 . . . . . . . . 6339 1 839 . 1 1 82 82 LEU HB2 H 1 1.725 0.03 . 2 . . . . . . . . 6339 1 840 . 1 1 82 82 LEU CG C 13 25.902 0.3 . 1 . . . . . . . . 6339 1 841 . 1 1 82 82 LEU HG H 1 1.096 0.03 . 1 . . . . . . . . 6339 1 842 . 1 1 82 82 LEU CD1 C 13 24.820 0.3 . 1 . . . . . . . . 6339 1 843 . 1 1 82 82 LEU HD11 H 1 0.777 0.03 . 2 . . . . . . . . 6339 1 844 . 1 1 82 82 LEU HD12 H 1 0.777 0.03 . 2 . . . . . . . . 6339 1 845 . 1 1 82 82 LEU HD13 H 1 0.777 0.03 . 2 . . . . . . . . 6339 1 846 . 1 1 82 82 LEU CD2 C 13 23.440 0.3 . 1 . . . . . . . . 6339 1 847 . 1 1 82 82 LEU HD21 H 1 0.622 0.03 . 2 . . . . . . . . 6339 1 848 . 1 1 82 82 LEU HD22 H 1 0.622 0.03 . 2 . . . . . . . . 6339 1 849 . 1 1 82 82 LEU HD23 H 1 0.622 0.03 . 2 . . . . . . . . 6339 1 850 . 1 1 82 82 LEU C C 13 176.832 0.3 . 1 . . . . . . . . 6339 1 851 . 1 1 83 83 LYS N N 15 124.655 0.3 . 1 . . . . . . . . 6339 1 852 . 1 1 83 83 LYS H H 1 7.893 0.03 . 1 . . . . . . . . 6339 1 853 . 1 1 83 83 LYS CA C 13 57.008 0.3 . 1 . . . . . . . . 6339 1 854 . 1 1 83 83 LYS HA H 1 3.925 0.03 . 1 . . . . . . . . 6339 1 855 . 1 1 83 83 LYS CB C 13 33.929 0.3 . 1 . . . . . . . . 6339 1 856 . 1 1 83 83 LYS HB3 H 1 1.503 0.03 . 2 . . . . . . . . 6339 1 857 . 1 1 83 83 LYS HB2 H 1 1.654 0.03 . 2 . . . . . . . . 6339 1 858 . 1 1 83 83 LYS CG C 13 25.203 0.3 . 1 . . . . . . . . 6339 1 859 . 1 1 83 83 LYS HG3 H 1 1.778 0.03 . 2 . . . . . . . . 6339 1 860 . 1 1 83 83 LYS HG2 H 1 1.510 0.03 . 2 . . . . . . . . 6339 1 861 . 1 1 83 83 LYS CD C 13 29.277 0.3 . 1 . . . . . . . . 6339 1 862 . 1 1 83 83 LYS HD3 H 1 1.722 0.03 . 2 . . . . . . . . 6339 1 863 . 1 1 83 83 LYS HD2 H 1 1.670 0.03 . 2 . . . . . . . . 6339 1 864 . 1 1 83 83 LYS CE C 13 42.181 0.3 . 1 . . . . . . . . 6339 1 865 . 1 1 83 83 LYS HE3 H 1 3.068 0.03 . 2 . . . . . . . . 6339 1 866 . 1 1 83 83 LYS C C 13 177.680 0.3 . 1 . . . . . . . . 6339 1 867 . 1 1 84 84 ALA N N 15 126.352 0.3 . 1 . . . . . . . . 6339 1 868 . 1 1 84 84 ALA H H 1 8.536 0.03 . 1 . . . . . . . . 6339 1 869 . 1 1 84 84 ALA CA C 13 53.304 0.3 . 1 . . . . . . . . 6339 1 870 . 1 1 84 84 ALA HA H 1 3.588 0.03 . 1 . . . . . . . . 6339 1 871 . 1 1 84 84 ALA CB C 13 19.489 0.3 . 1 . . . . . . . . 6339 1 872 . 1 1 84 84 ALA HB1 H 1 1.026 0.03 . 1 . . . . . . . . 6339 1 873 . 1 1 84 84 ALA HB2 H 1 1.026 0.03 . 1 . . . . . . . . 6339 1 874 . 1 1 84 84 ALA HB3 H 1 1.026 0.03 . 1 . . . . . . . . 6339 1 875 . 1 1 84 84 ALA C C 13 176.478 0.3 . 1 . . . . . . . . 6339 1 876 . 1 1 85 85 LYS N N 15 122.050 0.3 . 1 . . . . . . . . 6339 1 877 . 1 1 85 85 LYS H H 1 7.999 0.03 . 1 . . . . . . . . 6339 1 878 . 1 1 85 85 LYS CA C 13 56.584 0.3 . 1 . . . . . . . . 6339 1 879 . 1 1 85 85 LYS HA H 1 4.058 0.03 . 1 . . . . . . . . 6339 1 880 . 1 1 85 85 LYS CB C 13 31.869 0.3 . 1 . . . . . . . . 6339 1 881 . 1 1 85 85 LYS HB3 H 1 2.024 0.03 . 2 . . . . . . . . 6339 1 882 . 1 1 85 85 LYS HB2 H 1 1.457 0.03 . 2 . . . . . . . . 6339 1 883 . 1 1 85 85 LYS CG C 13 25.445 0.3 . 1 . . . . . . . . 6339 1 884 . 1 1 85 85 LYS HG2 H 1 1.275 0.03 . 2 . . . . . . . . 6339 1 885 . 1 1 85 85 LYS CD C 13 28.857 0.3 . 1 . . . . . . . . 6339 1 886 . 1 1 85 85 LYS HD3 H 1 1.569 0.03 . 2 . . . . . . . . 6339 1 887 . 1 1 85 85 LYS CE C 13 42.110 0.3 . 1 . . . . . . . . 6339 1 888 . 1 1 85 85 LYS HE3 H 1 2.854 0.03 . 2 . . . . . . . . 6339 1 889 . 1 1 85 85 LYS HE2 H 1 2.735 0.03 . 2 . . . . . . . . 6339 1 890 . 1 1 85 85 LYS C C 13 174.636 0.3 . 1 . . . . . . . . 6339 1 891 . 1 1 86 86 ASP N N 15 115.318 0.3 . 1 . . . . . . . . 6339 1 892 . 1 1 86 86 ASP H H 1 7.328 0.03 . 1 . . . . . . . . 6339 1 893 . 1 1 86 86 ASP CA C 13 52.430 0.3 . 1 . . . . . . . . 6339 1 894 . 1 1 86 86 ASP HA H 1 4.855 0.03 . 1 . . . . . . . . 6339 1 895 . 1 1 86 86 ASP CB C 13 44.078 0.3 . 1 . . . . . . . . 6339 1 896 . 1 1 86 86 ASP HB3 H 1 2.702 0.03 . 2 . . . . . . . . 6339 1 897 . 1 1 86 86 ASP HB2 H 1 2.162 0.03 . 2 . . . . . . . . 6339 1 898 . 1 1 86 86 ASP C C 13 175.636 0.3 . 1 . . . . . . . . 6339 1 899 . 1 1 87 87 MET N N 15 122.957 0.3 . 1 . . . . . . . . 6339 1 900 . 1 1 87 87 MET H H 1 9.774 0.03 . 1 . . . . . . . . 6339 1 901 . 1 1 87 87 MET CA C 13 54.599 0.3 . 1 . . . . . . . . 6339 1 902 . 1 1 87 87 MET HA H 1 5.176 0.03 . 1 . . . . . . . . 6339 1 903 . 1 1 87 87 MET CB C 13 34.536 0.3 . 1 . . . . . . . . 6339 1 904 . 1 1 87 87 MET HB3 H 1 1.930 0.03 . 1 . . . . . . . . 6339 1 905 . 1 1 87 87 MET HB2 H 1 1.930 0.03 . 1 . . . . . . . . 6339 1 906 . 1 1 87 87 MET CG C 13 31.980 0.3 . 1 . . . . . . . . 6339 1 907 . 1 1 87 87 MET HG3 H 1 2.456 0.03 . 2 . . . . . . . . 6339 1 908 . 1 1 87 87 MET HG2 H 1 2.368 0.03 . 2 . . . . . . . . 6339 1 909 . 1 1 87 87 MET HE1 H 1 0.864 0.03 . 1 . . . . . . . . 6339 1 910 . 1 1 87 87 MET HE2 H 1 0.864 0.03 . 1 . . . . . . . . 6339 1 911 . 1 1 87 87 MET HE3 H 1 0.864 0.03 . 1 . . . . . . . . 6339 1 912 . 1 1 87 87 MET C C 13 175.801 0.3 . 1 . . . . . . . . 6339 1 913 . 1 1 88 88 THR N N 15 121.826 0.3 . 1 . . . . . . . . 6339 1 914 . 1 1 88 88 THR H H 1 9.179 0.03 . 1 . . . . . . . . 6339 1 915 . 1 1 88 88 THR CA C 13 63.372 0.3 . 1 . . . . . . . . 6339 1 916 . 1 1 88 88 THR HA H 1 4.350 0.03 . 1 . . . . . . . . 6339 1 917 . 1 1 88 88 THR CB C 13 71.354 0.3 . 1 . . . . . . . . 6339 1 918 . 1 1 88 88 THR HB H 1 3.814 0.03 . 1 . . . . . . . . 6339 1 919 . 1 1 88 88 THR CG2 C 13 21.018 0.3 . 1 . . . . . . . . 6339 1 920 . 1 1 88 88 THR HG21 H 1 1.257 0.03 . 1 . . . . . . . . 6339 1 921 . 1 1 88 88 THR HG22 H 1 1.257 0.03 . 1 . . . . . . . . 6339 1 922 . 1 1 88 88 THR HG23 H 1 1.257 0.03 . 1 . . . . . . . . 6339 1 923 . 1 1 88 88 THR C C 13 172.174 0.3 . 1 . . . . . . . . 6339 1 924 . 1 1 89 89 ALA N N 15 131.021 0.3 . 1 . . . . . . . . 6339 1 925 . 1 1 89 89 ALA H H 1 8.660 0.03 . 1 . . . . . . . . 6339 1 926 . 1 1 89 89 ALA CA C 13 50.806 0.3 . 1 . . . . . . . . 6339 1 927 . 1 1 89 89 ALA HA H 1 5.250 0.03 . 1 . . . . . . . . 6339 1 928 . 1 1 89 89 ALA CB C 13 19.890 0.3 . 1 . . . . . . . . 6339 1 929 . 1 1 89 89 ALA HB1 H 1 1.328 0.03 . 1 . . . . . . . . 6339 1 930 . 1 1 89 89 ALA HB2 H 1 1.328 0.03 . 1 . . . . . . . . 6339 1 931 . 1 1 89 89 ALA HB3 H 1 1.328 0.03 . 1 . . . . . . . . 6339 1 932 . 1 1 89 89 ALA C C 13 176.635 0.3 . 1 . . . . . . . . 6339 1 933 . 1 1 90 90 LEU N N 15 124.089 0.3 . 1 . . . . . . . . 6339 1 934 . 1 1 90 90 LEU H H 1 9.141 0.03 . 1 . . . . . . . . 6339 1 935 . 1 1 90 90 LEU CA C 13 53.575 0.3 . 1 . . . . . . . . 6339 1 936 . 1 1 90 90 LEU HA H 1 4.667 0.03 . 1 . . . . . . . . 6339 1 937 . 1 1 90 90 LEU CB C 13 45.198 0.3 . 1 . . . . . . . . 6339 1 938 . 1 1 90 90 LEU HB3 H 1 1.440 0.03 . 2 . . . . . . . . 6339 1 939 . 1 1 90 90 LEU HB2 H 1 1.262 0.03 . 2 . . . . . . . . 6339 1 940 . 1 1 90 90 LEU CG C 13 26.400 0.3 . 1 . . . . . . . . 6339 1 941 . 1 1 90 90 LEU HG H 1 1.434 0.03 . 1 . . . . . . . . 6339 1 942 . 1 1 90 90 LEU CD1 C 13 23.947 0.3 . 1 . . . . . . . . 6339 1 943 . 1 1 90 90 LEU HD11 H 1 0.703 0.03 . 2 . . . . . . . . 6339 1 944 . 1 1 90 90 LEU HD12 H 1 0.703 0.03 . 2 . . . . . . . . 6339 1 945 . 1 1 90 90 LEU HD13 H 1 0.703 0.03 . 2 . . . . . . . . 6339 1 946 . 1 1 90 90 LEU CD2 C 13 23.347 0.3 . 1 . . . . . . . . 6339 1 947 . 1 1 90 90 LEU HD21 H 1 0.625 0.03 . 2 . . . . . . . . 6339 1 948 . 1 1 90 90 LEU HD22 H 1 0.625 0.03 . 2 . . . . . . . . 6339 1 949 . 1 1 90 90 LEU HD23 H 1 0.625 0.03 . 2 . . . . . . . . 6339 1 950 . 1 1 90 90 LEU C C 13 174.678 0.3 . 1 . . . . . . . . 6339 1 951 . 1 1 91 91 ASP N N 15 123.382 0.3 . 1 . . . . . . . . 6339 1 952 . 1 1 91 91 ASP H H 1 8.424 0.03 . 1 . . . . . . . . 6339 1 953 . 1 1 91 91 ASP CA C 13 53.350 0.3 . 1 . . . . . . . . 6339 1 954 . 1 1 91 91 ASP HA H 1 5.162 0.03 . 1 . . . . . . . . 6339 1 955 . 1 1 91 91 ASP CB C 13 42.465 0.3 . 1 . . . . . . . . 6339 1 956 . 1 1 91 91 ASP HB3 H 1 2.510 0.03 . 2 . . . . . . . . 6339 1 957 . 1 1 91 91 ASP HB2 H 1 2.640 0.03 . 2 . . . . . . . . 6339 1 958 . 1 1 91 91 ASP C C 13 175.448 0.3 . 1 . . . . . . . . 6339 1 959 . 1 1 92 92 ILE N N 15 123.806 0.3 . 1 . . . . . . . . 6339 1 960 . 1 1 92 92 ILE H H 1 9.132 0.03 . 1 . . . . . . . . 6339 1 961 . 1 1 92 92 ILE CA C 13 57.802 0.3 . 1 . . . . . . . . 6339 1 962 . 1 1 92 92 ILE HA H 1 4.365 0.03 . 1 . . . . . . . . 6339 1 963 . 1 1 92 92 ILE CB C 13 39.724 0.3 . 1 . . . . . . . . 6339 1 964 . 1 1 92 92 ILE HB H 1 1.730 0.03 . 1 . . . . . . . . 6339 1 965 . 1 1 92 92 ILE CG1 C 13 27.040 0.3 . 2 . . . . . . . . 6339 1 966 . 1 1 92 92 ILE HG13 H 1 1.448 0.03 . 1 . . . . . . . . 6339 1 967 . 1 1 92 92 ILE HG12 H 1 1.260 0.03 . 1 . . . . . . . . 6339 1 968 . 1 1 92 92 ILE CD1 C 13 13.950 0.3 . 1 . . . . . . . . 6339 1 969 . 1 1 92 92 ILE HD11 H 1 0.610 0.03 . 1 . . . . . . . . 6339 1 970 . 1 1 92 92 ILE HD12 H 1 0.610 0.03 . 1 . . . . . . . . 6339 1 971 . 1 1 92 92 ILE HD13 H 1 0.610 0.03 . 1 . . . . . . . . 6339 1 972 . 1 1 92 92 ILE CG2 C 13 16.600 0.3 . 1 . . . . . . . . 6339 1 973 . 1 1 92 92 ILE HG21 H 1 0.140 0.03 . 1 . . . . . . . . 6339 1 974 . 1 1 92 92 ILE HG22 H 1 0.140 0.03 . 1 . . . . . . . . 6339 1 975 . 1 1 92 92 ILE HG23 H 1 0.140 0.03 . 1 . . . . . . . . 6339 1 976 . 1 1 93 93 PRO CA C 13 63.177 0.3 . 1 . . . . . . . . 6339 1 977 . 1 1 93 93 PRO HA H 1 4.375 0.03 . 1 . . . . . . . . 6339 1 978 . 1 1 93 93 PRO CB C 13 32.355 0.3 . 1 . . . . . . . . 6339 1 979 . 1 1 93 93 PRO HB3 H 1 2.134 0.03 . 2 . . . . . . . . 6339 1 980 . 1 1 93 93 PRO HB2 H 1 1.876 0.03 . 2 . . . . . . . . 6339 1 981 . 1 1 93 93 PRO CG C 13 28.290 0.3 . 1 . . . . . . . . 6339 1 982 . 1 1 93 93 PRO CD C 13 51.172 0.3 . 1 . . . . . . . . 6339 1 983 . 1 1 93 93 PRO HD3 H 1 3.741 0.03 . 2 . . . . . . . . 6339 1 984 . 1 1 93 93 PRO HD2 H 1 3.563 0.03 . 2 . . . . . . . . 6339 1 985 . 1 1 93 93 PRO C C 13 175.533 0.3 . 1 . . . . . . . . 6339 1 986 . 1 1 94 94 VAL N N 15 125.928 0.3 . 1 . . . . . . . . 6339 1 987 . 1 1 94 94 VAL H H 1 8.793 0.03 . 1 . . . . . . . . 6339 1 988 . 1 1 94 94 VAL CA C 13 63.166 0.3 . 1 . . . . . . . . 6339 1 989 . 1 1 94 94 VAL HA H 1 4.786 0.03 . 1 . . . . . . . . 6339 1 990 . 1 1 94 94 VAL CB C 13 32.420 0.3 . 1 . . . . . . . . 6339 1 991 . 1 1 94 94 VAL HB H 1 2.000 0.03 . 1 . . . . . . . . 6339 1 992 . 1 1 94 94 VAL CG2 C 13 21.300 0.3 . 1 . . . . . . . . 6339 1 993 . 1 1 94 94 VAL HG21 H 1 0.880 0.03 . 2 . . . . . . . . 6339 1 994 . 1 1 94 94 VAL HG22 H 1 0.880 0.03 . 2 . . . . . . . . 6339 1 995 . 1 1 94 94 VAL HG23 H 1 0.880 0.03 . 2 . . . . . . . . 6339 1 996 . 1 1 94 94 VAL CG1 C 13 21.300 0.3 . 1 . . . . . . . . 6339 1 997 . 1 1 94 94 VAL HG11 H 1 0.854 0.03 . 2 . . . . . . . . 6339 1 998 . 1 1 94 94 VAL HG12 H 1 0.854 0.03 . 2 . . . . . . . . 6339 1 999 . 1 1 94 94 VAL HG13 H 1 0.854 0.03 . 2 . . . . . . . . 6339 1 1000 . 1 1 94 94 VAL C C 13 176.227 0.3 . 1 . . . . . . . . 6339 1 1001 . 1 1 95 95 VAL N N 15 127.458 0.3 . 1 . . . . . . . . 6339 1 1002 . 1 1 95 95 VAL H H 1 8.467 0.03 . 1 . . . . . . . . 6339 1 1003 . 1 1 95 95 VAL CA C 13 61.870 0.3 . 1 . . . . . . . . 6339 1 1004 . 1 1 95 95 VAL HA H 1 3.717 0.03 . 1 . . . . . . . . 6339 1 1005 . 1 1 95 95 VAL CB C 13 33.000 0.3 . 1 . . . . . . . . 6339 1 1006 . 1 1 95 95 VAL HB H 1 1.420 0.03 . 1 . . . . . . . . 6339 1 1007 . 1 1 95 95 VAL CG2 C 13 18.500 0.3 . 1 . . . . . . . . 6339 1 1008 . 1 1 95 95 VAL HG21 H 1 -0.054 0.03 . 2 . . . . . . . . 6339 1 1009 . 1 1 95 95 VAL HG22 H 1 -0.054 0.03 . 2 . . . . . . . . 6339 1 1010 . 1 1 95 95 VAL HG23 H 1 -0.054 0.03 . 2 . . . . . . . . 6339 1 1011 . 1 1 95 95 VAL CG1 C 13 20.050 0.3 . 1 . . . . . . . . 6339 1 1012 . 1 1 95 95 VAL HG11 H 1 0.000 0.03 . 2 . . . . . . . . 6339 1 1013 . 1 1 95 95 VAL HG12 H 1 0.000 0.03 . 2 . . . . . . . . 6339 1 1014 . 1 1 95 95 VAL HG13 H 1 0.000 0.03 . 2 . . . . . . . . 6339 1 1015 . 1 1 95 95 VAL C C 13 176.227 0.3 . 1 . . . . . . . . 6339 1 1016 . 1 1 96 96 VAL N N 15 127.767 0.3 . 1 . . . . . . . . 6339 1 1017 . 1 1 96 96 VAL H H 1 9.431 0.03 . 1 . . . . . . . . 6339 1 1018 . 1 1 96 96 VAL CA C 13 58.234 0.3 . 1 . . . . . . . . 6339 1 1019 . 1 1 96 96 VAL HA H 1 4.984 0.03 . 1 . . . . . . . . 6339 1 1020 . 1 1 96 96 VAL CB C 13 35.755 0.3 . 1 . . . . . . . . 6339 1 1021 . 1 1 96 96 VAL HB H 1 2.140 0.03 . 1 . . . . . . . . 6339 1 1022 . 1 1 96 96 VAL CG2 C 13 21.380 0.3 . 1 . . . . . . . . 6339 1 1023 . 1 1 96 96 VAL HG21 H 1 1.100 0.03 . 2 . . . . . . . . 6339 1 1024 . 1 1 96 96 VAL HG22 H 1 1.100 0.03 . 2 . . . . . . . . 6339 1 1025 . 1 1 96 96 VAL HG23 H 1 1.100 0.03 . 2 . . . . . . . . 6339 1 1026 . 1 1 96 96 VAL CG1 C 13 20.270 0.3 . 1 . . . . . . . . 6339 1 1027 . 1 1 96 96 VAL HG11 H 1 0.950 0.03 . 2 . . . . . . . . 6339 1 1028 . 1 1 96 96 VAL HG12 H 1 0.950 0.03 . 2 . . . . . . . . 6339 1 1029 . 1 1 96 96 VAL HG13 H 1 0.950 0.03 . 2 . . . . . . . . 6339 1 1030 . 1 1 97 97 PRO HA H 1 4.792 0.03 . 1 . . . . . . . . 6339 1 1031 . 1 1 97 97 PRO HB3 H 1 1.886 0.03 . 2 . . . . . . . . 6339 1 1032 . 1 1 97 97 PRO HB2 H 1 2.003 0.03 . 2 . . . . . . . . 6339 1 1033 . 1 1 97 97 PRO HG2 H 1 2.283 0.03 . 2 . . . . . . . . 6339 1 1034 . 1 1 97 97 PRO HD3 H 1 4.239 0.03 . 2 . . . . . . . . 6339 1 1035 . 1 1 98 98 TYR N N 15 126.968 0.3 . 1 . . . . . . . . 6339 1 1036 . 1 1 98 98 TYR H H 1 8.140 0.03 . 1 . . . . . . . . 6339 1 1037 . 1 1 98 98 TYR CA C 13 62.658 0.3 . 1 . . . . . . . . 6339 1 1038 . 1 1 98 98 TYR HA H 1 3.704 0.03 . 1 . . . . . . . . 6339 1 1039 . 1 1 98 98 TYR CB C 13 39.111 0.3 . 1 . . . . . . . . 6339 1 1040 . 1 1 98 98 TYR HB3 H 1 2.971 0.03 . 2 . . . . . . . . 6339 1 1041 . 1 1 98 98 TYR HB2 H 1 2.726 0.03 . 2 . . . . . . . . 6339 1 1042 . 1 1 98 98 TYR HD1 H 1 6.897 0.03 . 3 . . . . . . . . 6339 1 1043 . 1 1 98 98 TYR C C 13 177.549 0.3 . 1 . . . . . . . . 6339 1 1044 . 1 1 99 99 SER N N 15 111.499 0.3 . 1 . . . . . . . . 6339 1 1045 . 1 1 99 99 SER H H 1 9.154 0.03 . 1 . . . . . . . . 6339 1 1046 . 1 1 99 99 SER CA C 13 61.800 0.3 . 1 . . . . . . . . 6339 1 1047 . 1 1 99 99 SER HA H 1 4.091 0.03 . 1 . . . . . . . . 6339 1 1048 . 1 1 99 99 SER CB C 13 62.448 0.3 . 1 . . . . . . . . 6339 1 1049 . 1 1 99 99 SER HB3 H 1 4.019 0.03 . 2 . . . . . . . . 6339 1 1050 . 1 1 99 99 SER HB2 H 1 3.967 0.03 . 2 . . . . . . . . 6339 1 1051 . 1 1 99 99 SER C C 13 176.720 0.3 . 1 . . . . . . . . 6339 1 1052 . 1 1 100 100 ILE N N 15 120.411 0.3 . 1 . . . . . . . . 6339 1 1053 . 1 1 100 100 ILE H H 1 6.798 0.03 . 1 . . . . . . . . 6339 1 1054 . 1 1 100 100 ILE CA C 13 63.076 0.3 . 1 . . . . . . . . 6339 1 1055 . 1 1 100 100 ILE HA H 1 3.950 0.03 . 1 . . . . . . . . 6339 1 1056 . 1 1 100 100 ILE CB C 13 37.276 0.3 . 1 . . . . . . . . 6339 1 1057 . 1 1 100 100 ILE HB H 1 2.144 0.03 . 1 . . . . . . . . 6339 1 1058 . 1 1 100 100 ILE CG1 C 13 28.297 0.3 . 2 . . . . . . . . 6339 1 1059 . 1 1 100 100 ILE HG13 H 1 1.715 0.03 . 1 . . . . . . . . 6339 1 1060 . 1 1 100 100 ILE HG12 H 1 1.455 0.03 . 1 . . . . . . . . 6339 1 1061 . 1 1 100 100 ILE CD1 C 13 11.300 0.3 . 1 . . . . . . . . 6339 1 1062 . 1 1 100 100 ILE HD11 H 1 0.950 0.03 . 1 . . . . . . . . 6339 1 1063 . 1 1 100 100 ILE HD12 H 1 0.950 0.03 . 1 . . . . . . . . 6339 1 1064 . 1 1 100 100 ILE HD13 H 1 0.950 0.03 . 1 . . . . . . . . 6339 1 1065 . 1 1 100 100 ILE CG2 C 13 16.636 0.3 . 1 . . . . . . . . 6339 1 1066 . 1 1 100 100 ILE HG21 H 1 0.960 0.03 . 1 . . . . . . . . 6339 1 1067 . 1 1 100 100 ILE HG22 H 1 0.960 0.03 . 1 . . . . . . . . 6339 1 1068 . 1 1 100 100 ILE HG23 H 1 0.960 0.03 . 1 . . . . . . . . 6339 1 1069 . 1 1 100 100 ILE C C 13 178.364 0.3 . 1 . . . . . . . . 6339 1 1070 . 1 1 101 101 LEU N N 15 121.543 0.3 . 1 . . . . . . . . 6339 1 1071 . 1 1 101 101 LEU H H 1 7.424 0.03 . 1 . . . . . . . . 6339 1 1072 . 1 1 101 101 LEU CA C 13 57.745 0.3 . 1 . . . . . . . . 6339 1 1073 . 1 1 101 101 LEU HA H 1 4.082 0.03 . 1 . . . . . . . . 6339 1 1074 . 1 1 101 101 LEU CB C 13 42.883 0.3 . 1 . . . . . . . . 6339 1 1075 . 1 1 101 101 LEU HB3 H 1 1.539 0.03 . 2 . . . . . . . . 6339 1 1076 . 1 1 101 101 LEU HB2 H 1 1.820 0.03 . 2 . . . . . . . . 6339 1 1077 . 1 1 101 101 LEU CG C 13 26.359 0.3 . 1 . . . . . . . . 6339 1 1078 . 1 1 101 101 LEU HG H 1 1.056 0.03 . 1 . . . . . . . . 6339 1 1079 . 1 1 101 101 LEU HD11 H 1 0.986 0.03 . 2 . . . . . . . . 6339 1 1080 . 1 1 101 101 LEU HD12 H 1 0.986 0.03 . 2 . . . . . . . . 6339 1 1081 . 1 1 101 101 LEU HD13 H 1 0.986 0.03 . 2 . . . . . . . . 6339 1 1082 . 1 1 101 101 LEU HD21 H 1 0.856 0.03 . 2 . . . . . . . . 6339 1 1083 . 1 1 101 101 LEU HD22 H 1 0.856 0.03 . 2 . . . . . . . . 6339 1 1084 . 1 1 101 101 LEU HD23 H 1 0.856 0.03 . 2 . . . . . . . . 6339 1 1085 . 1 1 101 101 LEU C C 13 177.090 0.3 . 1 . . . . . . . . 6339 1 1086 . 1 1 102 102 PHE N N 15 118.572 0.3 . 1 . . . . . . . . 6339 1 1087 . 1 1 102 102 PHE H H 1 8.622 0.03 . 1 . . . . . . . . 6339 1 1088 . 1 1 102 102 PHE CA C 13 60.762 0.3 . 1 . . . . . . . . 6339 1 1089 . 1 1 102 102 PHE HA H 1 4.083 0.03 . 1 . . . . . . . . 6339 1 1090 . 1 1 102 102 PHE CB C 13 39.135 0.3 . 1 . . . . . . . . 6339 1 1091 . 1 1 102 102 PHE HB3 H 1 2.631 0.03 . 2 . . . . . . . . 6339 1 1092 . 1 1 102 102 PHE HB2 H 1 2.200 0.03 . 2 . . . . . . . . 6339 1 1093 . 1 1 102 102 PHE HD1 H 1 6.607 0.03 . 3 . . . . . . . . 6339 1 1094 . 1 1 102 102 PHE HE1 H 1 6.795 0.03 . 3 . . . . . . . . 6339 1 1095 . 1 1 102 102 PHE C C 13 177.097 0.3 . 1 . . . . . . . . 6339 1 1096 . 1 1 103 103 ASN N N 15 116.167 0.3 . 1 . . . . . . . . 6339 1 1097 . 1 1 103 103 ASN H H 1 7.927 0.03 . 1 . . . . . . . . 6339 1 1098 . 1 1 103 103 ASN CA C 13 56.096 0.3 . 1 . . . . . . . . 6339 1 1099 . 1 1 103 103 ASN HA H 1 4.075 0.03 . 1 . . . . . . . . 6339 1 1100 . 1 1 103 103 ASN CB C 13 38.467 0.3 . 1 . . . . . . . . 6339 1 1101 . 1 1 103 103 ASN HB3 H 1 2.851 0.03 . 2 . . . . . . . . 6339 1 1102 . 1 1 103 103 ASN HB2 H 1 2.743 0.03 . 2 . . . . . . . . 6339 1 1103 . 1 1 103 103 ASN ND2 N 15 111.646 0.3 . 1 . . . . . . . . 6339 1 1104 . 1 1 103 103 ASN HD21 H 1 7.543 0.03 . 2 . . . . . . . . 6339 1 1105 . 1 1 103 103 ASN HD22 H 1 6.938 0.03 . 2 . . . . . . . . 6339 1 1106 . 1 1 103 103 ASN C C 13 177.030 0.3 . 1 . . . . . . . . 6339 1 1107 . 1 1 104 104 LEU N N 15 121.260 0.3 . 1 . . . . . . . . 6339 1 1108 . 1 1 104 104 LEU H H 1 7.806 0.03 . 1 . . . . . . . . 6339 1 1109 . 1 1 104 104 LEU CA C 13 58.088 0.3 . 1 . . . . . . . . 6339 1 1110 . 1 1 104 104 LEU HA H 1 4.093 0.03 . 1 . . . . . . . . 6339 1 1111 . 1 1 104 104 LEU CB C 13 43.000 0.3 . 1 . . . . . . . . 6339 1 1112 . 1 1 104 104 LEU HB3 H 1 1.620 0.03 . 2 . . . . . . . . 6339 1 1113 . 1 1 104 104 LEU HB2 H 1 1.833 0.03 . 2 . . . . . . . . 6339 1 1114 . 1 1 104 104 LEU CG C 13 29.282 0.3 . 1 . . . . . . . . 6339 1 1115 . 1 1 104 104 LEU HG H 1 1.495 0.03 . 1 . . . . . . . . 6339 1 1116 . 1 1 104 104 LEU CD1 C 13 23.528 0.3 . 1 . . . . . . . . 6339 1 1117 . 1 1 104 104 LEU HD11 H 1 0.937 0.03 . 2 . . . . . . . . 6339 1 1118 . 1 1 104 104 LEU HD12 H 1 0.937 0.03 . 2 . . . . . . . . 6339 1 1119 . 1 1 104 104 LEU HD13 H 1 0.937 0.03 . 2 . . . . . . . . 6339 1 1120 . 1 1 104 104 LEU CD2 C 13 26.492 0.3 . 1 . . . . . . . . 6339 1 1121 . 1 1 104 104 LEU HD21 H 1 0.849 0.03 . 2 . . . . . . . . 6339 1 1122 . 1 1 104 104 LEU HD22 H 1 0.849 0.03 . 2 . . . . . . . . 6339 1 1123 . 1 1 104 104 LEU HD23 H 1 0.849 0.03 . 2 . . . . . . . . 6339 1 1124 . 1 1 104 104 LEU C C 13 178.146 0.3 . 1 . . . . . . . . 6339 1 1125 . 1 1 105 105 ALA N N 15 120.184 0.3 . 1 . . . . . . . . 6339 1 1126 . 1 1 105 105 ALA H H 1 8.110 0.03 . 1 . . . . . . . . 6339 1 1127 . 1 1 105 105 ALA CA C 13 55.390 0.3 . 1 . . . . . . . . 6339 1 1128 . 1 1 105 105 ALA HA H 1 3.835 0.03 . 1 . . . . . . . . 6339 1 1129 . 1 1 105 105 ALA CB C 13 18.580 0.3 . 1 . . . . . . . . 6339 1 1130 . 1 1 105 105 ALA HB1 H 1 1.384 0.03 . 1 . . . . . . . . 6339 1 1131 . 1 1 105 105 ALA HB2 H 1 1.384 0.03 . 1 . . . . . . . . 6339 1 1132 . 1 1 105 105 ALA HB3 H 1 1.384 0.03 . 1 . . . . . . . . 6339 1 1133 . 1 1 105 105 ALA C C 13 179.812 0.3 . 1 . . . . . . . . 6339 1 1134 . 1 1 106 106 ARG N N 15 116.733 0.3 . 1 . . . . . . . . 6339 1 1135 . 1 1 106 106 ARG H H 1 7.565 0.03 . 1 . . . . . . . . 6339 1 1136 . 1 1 106 106 ARG CA C 13 58.338 0.3 . 1 . . . . . . . . 6339 1 1137 . 1 1 106 106 ARG HA H 1 3.875 0.03 . 1 . . . . . . . . 6339 1 1138 . 1 1 106 106 ARG CB C 13 29.834 0.3 . 1 . . . . . . . . 6339 1 1139 . 1 1 106 106 ARG HB3 H 1 1.500 0.03 . 2 . . . . . . . . 6339 1 1140 . 1 1 106 106 ARG HB2 H 1 1.650 0.03 . 2 . . . . . . . . 6339 1 1141 . 1 1 106 106 ARG HG3 H 1 1.380 0.03 . 2 . . . . . . . . 6339 1 1142 . 1 1 106 106 ARG HG2 H 1 1.284 0.03 . 2 . . . . . . . . 6339 1 1143 . 1 1 106 106 ARG CD C 13 42.061 0.3 . 1 . . . . . . . . 6339 1 1144 . 1 1 106 106 ARG HD2 H 1 2.883 0.03 . 2 . . . . . . . . 6339 1 1145 . 1 1 106 106 ARG NE N 15 84.762 0.3 . 1 . . . . . . . . 6339 1 1146 . 1 1 106 106 ARG HE H 1 6.905 0.03 . 1 . . . . . . . . 6339 1 1147 . 1 1 106 106 ARG HH21 H 1 7.149 0.03 . 1 . . . . . . . . 6339 1 1148 . 1 1 106 106 ARG HH22 H 1 6.905 0.03 . 1 . . . . . . . . 6339 1 1149 . 1 1 107 107 ASP N N 15 120.650 0.3 . 1 . . . . . . . . 6339 1 1150 . 1 1 107 107 ASP H H 1 8.161 0.03 . 1 . . . . . . . . 6339 1 1151 . 1 1 107 107 ASP CA C 13 57.163 0.3 . 1 . . . . . . . . 6339 1 1152 . 1 1 107 107 ASP HA H 1 4.357 0.03 . 1 . . . . . . . . 6339 1 1153 . 1 1 107 107 ASP CB C 13 41.102 0.3 . 1 . . . . . . . . 6339 1 1154 . 1 1 107 107 ASP HB3 H 1 2.826 0.03 . 2 . . . . . . . . 6339 1 1155 . 1 1 107 107 ASP HB2 H 1 2.630 0.03 . 2 . . . . . . . . 6339 1 1156 . 1 1 107 107 ASP C C 13 178.527 0.3 . 1 . . . . . . . . 6339 1 1157 . 1 1 108 108 VAL N N 15 115.743 0.3 . 1 . . . . . . . . 6339 1 1158 . 1 1 108 108 VAL H H 1 8.250 0.03 . 1 . . . . . . . . 6339 1 1159 . 1 1 108 108 VAL CA C 13 63.305 0.3 . 1 . . . . . . . . 6339 1 1160 . 1 1 108 108 VAL HA H 1 4.067 0.03 . 1 . . . . . . . . 6339 1 1161 . 1 1 108 108 VAL CB C 13 32.261 0.3 . 1 . . . . . . . . 6339 1 1162 . 1 1 108 108 VAL HB H 1 2.180 0.03 . 1 . . . . . . . . 6339 1 1163 . 1 1 108 108 VAL CG2 C 13 21.624 0.3 . 1 . . . . . . . . 6339 1 1164 . 1 1 108 108 VAL HG21 H 1 1.003 0.03 . 2 . . . . . . . . 6339 1 1165 . 1 1 108 108 VAL HG22 H 1 1.003 0.03 . 2 . . . . . . . . 6339 1 1166 . 1 1 108 108 VAL HG23 H 1 1.003 0.03 . 2 . . . . . . . . 6339 1 1167 . 1 1 108 108 VAL HG11 H 1 0.842 0.03 . 2 . . . . . . . . 6339 1 1168 . 1 1 108 108 VAL HG12 H 1 0.842 0.03 . 2 . . . . . . . . 6339 1 1169 . 1 1 108 108 VAL HG13 H 1 0.842 0.03 . 2 . . . . . . . . 6339 1 1170 . 1 1 108 108 VAL C C 13 176.893 0.3 . 1 . . . . . . . . 6339 1 1171 . 1 1 109 109 GLY N N 15 110.650 0.3 . 1 . . . . . . . . 6339 1 1172 . 1 1 109 109 GLY H H 1 7.906 0.03 . 1 . . . . . . . . 6339 1 1173 . 1 1 109 109 GLY CA C 13 46.395 0.3 . 1 . . . . . . . . 6339 1 1174 . 1 1 109 109 GLY HA3 H 1 4.020 0.03 . 2 . . . . . . . . 6339 1 1175 . 1 1 109 109 GLY HA2 H 1 3.827 0.03 . 2 . . . . . . . . 6339 1 1176 . 1 1 109 109 GLY C C 13 174.921 0.3 . 1 . . . . . . . . 6339 1 1177 . 1 1 110 110 VAL N N 15 113.055 0.3 . 1 . . . . . . . . 6339 1 1178 . 1 1 110 110 VAL H H 1 7.679 0.03 . 1 . . . . . . . . 6339 1 1179 . 1 1 110 110 VAL CA C 13 60.277 0.3 . 1 . . . . . . . . 6339 1 1180 . 1 1 110 110 VAL HA H 1 4.537 0.03 . 1 . . . . . . . . 6339 1 1181 . 1 1 110 110 VAL CB C 13 34.377 0.3 . 1 . . . . . . . . 6339 1 1182 . 1 1 110 110 VAL HB H 1 2.365 0.03 . 1 . . . . . . . . 6339 1 1183 . 1 1 110 110 VAL CG2 C 13 22.236 0.3 . 1 . . . . . . . . 6339 1 1184 . 1 1 110 110 VAL HG21 H 1 0.954 0.03 . 2 . . . . . . . . 6339 1 1185 . 1 1 110 110 VAL HG22 H 1 0.954 0.03 . 2 . . . . . . . . 6339 1 1186 . 1 1 110 110 VAL HG23 H 1 0.954 0.03 . 2 . . . . . . . . 6339 1 1187 . 1 1 110 110 VAL CG1 C 13 18.960 0.3 . 1 . . . . . . . . 6339 1 1188 . 1 1 110 110 VAL HG11 H 1 0.857 0.03 . 2 . . . . . . . . 6339 1 1189 . 1 1 110 110 VAL HG12 H 1 0.857 0.03 . 2 . . . . . . . . 6339 1 1190 . 1 1 110 110 VAL HG13 H 1 0.857 0.03 . 2 . . . . . . . . 6339 1 1191 . 1 1 110 110 VAL C C 13 174.835 0.3 . 1 . . . . . . . . 6339 1 1192 . 1 1 111 111 ASP N N 15 118.122 0.3 . 1 . . . . . . . . 6339 1 1193 . 1 1 111 111 ASP H H 1 8.182 0.03 . 1 . . . . . . . . 6339 1 1194 . 1 1 111 111 ASP CA C 13 54.487 0.3 . 1 . . . . . . . . 6339 1 1195 . 1 1 111 111 ASP HA H 1 4.620 0.03 . 1 . . . . . . . . 6339 1 1196 . 1 1 111 111 ASP CB C 13 42.420 0.3 . 1 . . . . . . . . 6339 1 1197 . 1 1 111 111 ASP HB3 H 1 2.155 0.03 . 2 . . . . . . . . 6339 1 1198 . 1 1 111 111 ASP HB2 H 1 2.056 0.03 . 2 . . . . . . . . 6339 1 1199 . 1 1 111 111 ASP C C 13 175.958 0.3 . 1 . . . . . . . . 6339 1 1200 . 1 1 112 112 TRP N N 15 118.996 0.3 . 1 . . . . . . . . 6339 1 1201 . 1 1 112 112 TRP H H 1 8.250 0.03 . 1 . . . . . . . . 6339 1 1202 . 1 1 112 112 TRP CA C 13 58.148 0.3 . 1 . . . . . . . . 6339 1 1203 . 1 1 112 112 TRP HA H 1 4.857 0.03 . 1 . . . . . . . . 6339 1 1204 . 1 1 112 112 TRP CB C 13 31.178 0.3 . 1 . . . . . . . . 6339 1 1205 . 1 1 112 112 TRP HB3 H 1 3.415 0.03 . 2 . . . . . . . . 6339 1 1206 . 1 1 112 112 TRP HB2 H 1 3.280 0.03 . 2 . . . . . . . . 6339 1 1207 . 1 1 112 112 TRP CD1 C 13 128.368 0.3 . 4 . . . . . . . . 6339 1 1208 . 1 1 112 112 TRP HD1 H 1 7.267 0.03 . 1 . . . . . . . . 6339 1 1209 . 1 1 112 112 TRP NE1 N 15 128.934 0.3 . 1 . . . . . . . . 6339 1 1210 . 1 1 112 112 TRP HE1 H 1 10.098 0.03 . 4 . . . . . . . . 6339 1 1211 . 1 1 112 112 TRP HZ2 H 1 7.481 0.03 . 4 . . . . . . . . 6339 1 1212 . 1 1 112 112 TRP HH2 H 1 7.611 0.03 . 1 . . . . . . . . 6339 1 1213 . 1 1 112 112 TRP HZ3 H 1 7.120 0.03 . 4 . . . . . . . . 6339 1 1214 . 1 1 112 112 TRP HE3 H 1 7.736 0.03 . 4 . . . . . . . . 6339 1 1215 . 1 1 112 112 TRP C C 13 175.244 0.3 . 1 . . . . . . . . 6339 1 1216 . 1 1 113 113 ASP N N 15 118.713 0.3 . 1 . . . . . . . . 6339 1 1217 . 1 1 113 113 ASP H H 1 8.067 0.03 . 1 . . . . . . . . 6339 1 1218 . 1 1 113 113 ASP CA C 13 53.087 0.3 . 1 . . . . . . . . 6339 1 1219 . 1 1 113 113 ASP HA H 1 5.380 0.03 . 1 . . . . . . . . 6339 1 1220 . 1 1 113 113 ASP CB C 13 44.050 0.3 . 1 . . . . . . . . 6339 1 1221 . 1 1 113 113 ASP HB3 H 1 2.500 0.03 . 2 . . . . . . . . 6339 1 1222 . 1 1 113 113 ASP HB2 H 1 2.560 0.03 . 2 . . . . . . . . 6339 1 1223 . 1 1 113 113 ASP C C 13 173.425 0.3 . 1 . . . . . . . . 6339 1 1224 . 1 1 114 114 ILE N N 15 118.006 0.3 . 1 . . . . . . . . 6339 1 1225 . 1 1 114 114 ILE H H 1 8.820 0.03 . 1 . . . . . . . . 6339 1 1226 . 1 1 114 114 ILE CA C 13 60.757 0.3 . 1 . . . . . . . . 6339 1 1227 . 1 1 114 114 ILE HA H 1 4.629 0.03 . 1 . . . . . . . . 6339 1 1228 . 1 1 114 114 ILE CB C 13 42.692 0.3 . 1 . . . . . . . . 6339 1 1229 . 1 1 114 114 ILE HB H 1 1.621 0.03 . 1 . . . . . . . . 6339 1 1230 . 1 1 114 114 ILE CG1 C 13 25.170 0.3 . 2 . . . . . . . . 6339 1 1231 . 1 1 114 114 ILE HG13 H 1 1.541 0.03 . 1 . . . . . . . . 6339 1 1232 . 1 1 114 114 ILE CD1 C 13 15.400 0.3 . 1 . . . . . . . . 6339 1 1233 . 1 1 114 114 ILE HD11 H 1 0.770 0.03 . 1 . . . . . . . . 6339 1 1234 . 1 1 114 114 ILE HD12 H 1 0.770 0.03 . 1 . . . . . . . . 6339 1 1235 . 1 1 114 114 ILE HD13 H 1 0.770 0.03 . 1 . . . . . . . . 6339 1 1236 . 1 1 114 114 ILE CG2 C 13 11.930 0.3 . 1 . . . . . . . . 6339 1 1237 . 1 1 114 114 ILE HG21 H 1 0.200 0.03 . 1 . . . . . . . . 6339 1 1238 . 1 1 114 114 ILE HG22 H 1 0.200 0.03 . 1 . . . . . . . . 6339 1 1239 . 1 1 114 114 ILE HG23 H 1 0.200 0.03 . 1 . . . . . . . . 6339 1 1240 . 1 1 114 114 ILE C C 13 172.544 0.3 . 1 . . . . . . . . 6339 1 1241 . 1 1 115 115 ASP N N 15 121.967 0.3 . 1 . . . . . . . . 6339 1 1242 . 1 1 115 115 ASP H H 1 7.988 0.03 . 1 . . . . . . . . 6339 1 1243 . 1 1 115 115 ASP CA C 13 54.166 0.3 . 1 . . . . . . . . 6339 1 1244 . 1 1 115 115 ASP HA H 1 5.147 0.03 . 1 . . . . . . . . 6339 1 1245 . 1 1 115 115 ASP CB C 13 43.067 0.3 . 1 . . . . . . . . 6339 1 1246 . 1 1 115 115 ASP HB3 H 1 2.646 0.03 . 2 . . . . . . . . 6339 1 1247 . 1 1 115 115 ASP C C 13 174.454 0.3 . 1 . . . . . . . . 6339 1 1248 . 1 1 116 116 TYR N N 15 116.167 0.3 . 1 . . . . . . . . 6339 1 1249 . 1 1 116 116 TYR H H 1 8.439 0.03 . 1 . . . . . . . . 6339 1 1250 . 1 1 116 116 TYR CA C 13 56.330 0.3 . 1 . . . . . . . . 6339 1 1251 . 1 1 116 116 TYR HA H 1 5.628 0.03 . 1 . . . . . . . . 6339 1 1252 . 1 1 116 116 TYR CB C 13 43.072 0.3 . 1 . . . . . . . . 6339 1 1253 . 1 1 116 116 TYR HB3 H 1 2.513 0.03 . 2 . . . . . . . . 6339 1 1254 . 1 1 116 116 TYR HB2 H 1 2.333 0.03 . 2 . . . . . . . . 6339 1 1255 . 1 1 116 116 TYR HD1 H 1 6.521 0.03 . 3 . . . . . . . . 6339 1 1256 . 1 1 116 116 TYR HE1 H 1 6.666 0.03 . 3 . . . . . . . . 6339 1 1257 . 1 1 116 116 TYR C C 13 174.553 0.3 . 1 . . . . . . . . 6339 1 1258 . 1 1 117 117 GLU N N 15 120.598 0.3 . 1 . . . . . . . . 6339 1 1259 . 1 1 117 117 GLU H H 1 8.722 0.03 . 1 . . . . . . . . 6339 1 1260 . 1 1 117 117 GLU CA C 13 56.264 0.3 . 1 . . . . . . . . 6339 1 1261 . 1 1 117 117 GLU HA H 1 4.650 0.03 . 1 . . . . . . . . 6339 1 1262 . 1 1 117 117 GLU CB C 13 33.665 0.3 . 1 . . . . . . . . 6339 1 1263 . 1 1 117 117 GLU HB3 H 1 1.775 0.03 . 2 . . . . . . . . 6339 1 1264 . 1 1 117 117 GLU HB2 H 1 1.974 0.03 . 2 . . . . . . . . 6339 1 1265 . 1 1 117 117 GLU CG C 13 36.250 0.3 . 1 . . . . . . . . 6339 1 1266 . 1 1 117 117 GLU HG3 H 1 2.128 0.03 . 2 . . . . . . . . 6339 1 1267 . 1 1 117 117 GLU HG2 H 1 1.988 0.03 . 2 . . . . . . . . 6339 1 1268 . 1 1 117 117 GLU C C 13 174.326 0.3 . 1 . . . . . . . . 6339 1 1269 . 1 1 118 118 LEU N N 15 129.748 0.3 . 1 . . . . . . . . 6339 1 1270 . 1 1 118 118 LEU H H 1 9.493 0.03 . 1 . . . . . . . . 6339 1 1271 . 1 1 118 118 LEU CA C 13 53.653 0.3 . 1 . . . . . . . . 6339 1 1272 . 1 1 118 118 LEU HA H 1 5.530 0.03 . 1 . . . . . . . . 6339 1 1273 . 1 1 118 118 LEU CB C 13 46.429 0.3 . 1 . . . . . . . . 6339 1 1274 . 1 1 118 118 LEU HB3 H 1 2.080 0.03 . 2 . . . . . . . . 6339 1 1275 . 1 1 118 118 LEU HB2 H 1 1.610 0.03 . 2 . . . . . . . . 6339 1 1276 . 1 1 118 118 LEU CG C 13 27.649 0.3 . 1 . . . . . . . . 6339 1 1277 . 1 1 118 118 LEU CD1 C 13 23.450 0.3 . 1 . . . . . . . . 6339 1 1278 . 1 1 118 118 LEU HD11 H 1 0.688 0.03 . 2 . . . . . . . . 6339 1 1279 . 1 1 118 118 LEU HD12 H 1 0.688 0.03 . 2 . . . . . . . . 6339 1 1280 . 1 1 118 118 LEU HD13 H 1 0.688 0.03 . 2 . . . . . . . . 6339 1 1281 . 1 1 118 118 LEU CD2 C 13 23.245 0.3 . 1 . . . . . . . . 6339 1 1282 . 1 1 118 118 LEU HD21 H 1 0.904 0.03 . 2 . . . . . . . . 6339 1 1283 . 1 1 118 118 LEU HD22 H 1 0.904 0.03 . 2 . . . . . . . . 6339 1 1284 . 1 1 118 118 LEU HD23 H 1 0.904 0.03 . 2 . . . . . . . . 6339 1 1285 . 1 1 118 118 LEU C C 13 173.877 0.3 . 1 . . . . . . . . 6339 1 1286 . 1 1 119 119 GLN N N 15 125.262 0.3 . 1 . . . . . . . . 6339 1 1287 . 1 1 119 119 GLN H H 1 8.735 0.03 . 1 . . . . . . . . 6339 1 1288 . 1 1 119 119 GLN CA C 13 55.147 0.3 . 1 . . . . . . . . 6339 1 1289 . 1 1 119 119 GLN HA H 1 4.994 0.03 . 1 . . . . . . . . 6339 1 1290 . 1 1 119 119 GLN CB C 13 30.357 0.3 . 1 . . . . . . . . 6339 1 1291 . 1 1 119 119 GLN HB3 H 1 2.301 0.03 . 2 . . . . . . . . 6339 1 1292 . 1 1 119 119 GLN HB2 H 1 2.108 0.03 . 2 . . . . . . . . 6339 1 1293 . 1 1 119 119 GLN CG C 13 33.042 0.3 . 1 . . . . . . . . 6339 1 1294 . 1 1 119 119 GLN HG3 H 1 1.750 0.03 . 2 . . . . . . . . 6339 1 1295 . 1 1 119 119 GLN NE2 N 15 111.021 0.3 . 1 . . . . . . . . 6339 1 1296 . 1 1 119 119 GLN HE21 H 1 6.634 0.03 . 2 . . . . . . . . 6339 1 1297 . 1 1 119 119 GLN HE22 H 1 7.561 0.03 . 2 . . . . . . . . 6339 1 1298 . 1 1 119 119 GLN C C 13 174.862 0.3 . 1 . . . . . . . . 6339 1 1299 . 1 1 120 120 ILE N N 15 125.787 0.3 . 1 . . . . . . . . 6339 1 1300 . 1 1 120 120 ILE H H 1 9.422 0.03 . 1 . . . . . . . . 6339 1 1301 . 1 1 120 120 ILE CA C 13 59.353 0.3 . 1 . . . . . . . . 6339 1 1302 . 1 1 120 120 ILE HA H 1 5.101 0.03 . 1 . . . . . . . . 6339 1 1303 . 1 1 120 120 ILE CB C 13 41.902 0.3 . 1 . . . . . . . . 6339 1 1304 . 1 1 120 120 ILE HB H 1 1.787 0.03 . 1 . . . . . . . . 6339 1 1305 . 1 1 120 120 ILE CG1 C 13 26.500 0.3 . 2 . . . . . . . . 6339 1 1306 . 1 1 120 120 ILE CD1 C 13 17.378 0.3 . 1 . . . . . . . . 6339 1 1307 . 1 1 120 120 ILE HD11 H 1 0.827 0.03 . 1 . . . . . . . . 6339 1 1308 . 1 1 120 120 ILE HD12 H 1 0.827 0.03 . 1 . . . . . . . . 6339 1 1309 . 1 1 120 120 ILE HD13 H 1 0.827 0.03 . 1 . . . . . . . . 6339 1 1310 . 1 1 120 120 ILE CG2 C 13 15.003 0.3 . 1 . . . . . . . . 6339 1 1311 . 1 1 120 120 ILE HG21 H 1 0.564 0.03 . 1 . . . . . . . . 6339 1 1312 . 1 1 120 120 ILE HG22 H 1 0.564 0.03 . 1 . . . . . . . . 6339 1 1313 . 1 1 120 120 ILE HG23 H 1 0.564 0.03 . 1 . . . . . . . . 6339 1 1314 . 1 1 120 120 ILE C C 13 175.149 0.3 . 1 . . . . . . . . 6339 1 1315 . 1 1 121 121 GLY N N 15 116.026 0.3 . 1 . . . . . . . . 6339 1 1316 . 1 1 121 121 GLY H H 1 9.329 0.03 . 1 . . . . . . . . 6339 1 1317 . 1 1 121 121 GLY CA C 13 45.148 0.3 . 1 . . . . . . . . 6339 1 1318 . 1 1 121 121 GLY HA3 H 1 4.690 0.03 . 2 . . . . . . . . 6339 1 1319 . 1 1 121 121 GLY HA2 H 1 3.290 0.03 . 2 . . . . . . . . 6339 1 1320 . 1 1 121 121 GLY C C 13 172.227 0.3 . 1 . . . . . . . . 6339 1 1321 . 1 1 122 122 LEU N N 15 130.030 0.3 . 1 . . . . . . . . 6339 1 1322 . 1 1 122 122 LEU H H 1 8.814 0.03 . 1 . . . . . . . . 6339 1 1323 . 1 1 122 122 LEU CA C 13 54.197 0.3 . 1 . . . . . . . . 6339 1 1324 . 1 1 122 122 LEU HA H 1 4.940 0.03 . 1 . . . . . . . . 6339 1 1325 . 1 1 122 122 LEU CB C 13 43.756 0.3 . 1 . . . . . . . . 6339 1 1326 . 1 1 122 122 LEU HB3 H 1 2.080 0.03 . 2 . . . . . . . . 6339 1 1327 . 1 1 122 122 LEU HB2 H 1 1.260 0.03 . 2 . . . . . . . . 6339 1 1328 . 1 1 122 122 LEU HG H 1 1.553 0.03 . 1 . . . . . . . . 6339 1 1329 . 1 1 122 122 LEU CD1 C 13 27.090 0.3 . 1 . . . . . . . . 6339 1 1330 . 1 1 122 122 LEU HD11 H 1 0.802 0.03 . 2 . . . . . . . . 6339 1 1331 . 1 1 122 122 LEU HD12 H 1 0.802 0.03 . 2 . . . . . . . . 6339 1 1332 . 1 1 122 122 LEU HD13 H 1 0.802 0.03 . 2 . . . . . . . . 6339 1 1333 . 1 1 122 122 LEU CD2 C 13 26.652 0.3 . 1 . . . . . . . . 6339 1 1334 . 1 1 122 122 LEU C C 13 174.577 0.3 . 1 . . . . . . . . 6339 1 1335 . 1 1 123 123 THR N N 15 125.928 0.3 . 1 . . . . . . . . 6339 1 1336 . 1 1 123 123 THR H H 1 9.079 0.03 . 1 . . . . . . . . 6339 1 1337 . 1 1 123 123 THR CA C 13 62.930 0.3 . 1 . . . . . . . . 6339 1 1338 . 1 1 123 123 THR HA H 1 5.224 0.03 . 1 . . . . . . . . 6339 1 1339 . 1 1 123 123 THR CB C 13 68.990 0.3 . 1 . . . . . . . . 6339 1 1340 . 1 1 123 123 THR HB H 1 3.940 0.03 . 1 . . . . . . . . 6339 1 1341 . 1 1 123 123 THR CG2 C 13 22.297 0.3 . 1 . . . . . . . . 6339 1 1342 . 1 1 123 123 THR HG21 H 1 1.089 0.03 . 1 . . . . . . . . 6339 1 1343 . 1 1 123 123 THR HG22 H 1 1.089 0.03 . 1 . . . . . . . . 6339 1 1344 . 1 1 123 123 THR HG23 H 1 1.089 0.03 . 1 . . . . . . . . 6339 1 1345 . 1 1 123 123 THR C C 13 173.982 0.3 . 1 . . . . . . . . 6339 1 1346 . 1 1 124 124 ILE N N 15 123.099 0.3 . 1 . . . . . . . . 6339 1 1347 . 1 1 124 124 ILE H H 1 9.365 0.03 . 1 . . . . . . . . 6339 1 1348 . 1 1 124 124 ILE CA C 13 59.491 0.3 . 1 . . . . . . . . 6339 1 1349 . 1 1 124 124 ILE HA H 1 5.140 0.03 . 1 . . . . . . . . 6339 1 1350 . 1 1 124 124 ILE CB C 13 41.050 0.3 . 1 . . . . . . . . 6339 1 1351 . 1 1 124 124 ILE HB H 1 1.990 0.03 . 1 . . . . . . . . 6339 1 1352 . 1 1 124 124 ILE CG1 C 13 25.407 0.3 . 2 . . . . . . . . 6339 1 1353 . 1 1 124 124 ILE HG13 H 1 1.505 0.03 . 1 . . . . . . . . 6339 1 1354 . 1 1 124 124 ILE CD1 C 13 17.941 0.3 . 1 . . . . . . . . 6339 1 1355 . 1 1 124 124 ILE HD11 H 1 0.869 0.03 . 1 . . . . . . . . 6339 1 1356 . 1 1 124 124 ILE HD12 H 1 0.869 0.03 . 1 . . . . . . . . 6339 1 1357 . 1 1 124 124 ILE HD13 H 1 0.869 0.03 . 1 . . . . . . . . 6339 1 1358 . 1 1 124 124 ILE CG2 C 13 14.788 0.3 . 1 . . . . . . . . 6339 1 1359 . 1 1 124 124 ILE HG21 H 1 0.813 0.03 . 1 . . . . . . . . 6339 1 1360 . 1 1 124 124 ILE HG22 H 1 0.813 0.03 . 1 . . . . . . . . 6339 1 1361 . 1 1 124 124 ILE HG23 H 1 0.813 0.03 . 1 . . . . . . . . 6339 1 1362 . 1 1 124 124 ILE C C 13 172.696 0.3 . 1 . . . . . . . . 6339 1 1363 . 1 1 125 125 ASP N N 15 119.987 0.3 . 1 . . . . . . . . 6339 1 1364 . 1 1 125 125 ASP H H 1 7.512 0.03 . 1 . . . . . . . . 6339 1 1365 . 1 1 125 125 ASP CA C 13 52.853 0.3 . 1 . . . . . . . . 6339 1 1366 . 1 1 125 125 ASP HA H 1 4.822 0.03 . 1 . . . . . . . . 6339 1 1367 . 1 1 125 125 ASP CB C 13 42.415 0.3 . 1 . . . . . . . . 6339 1 1368 . 1 1 125 125 ASP HB3 H 1 2.703 0.03 . 2 . . . . . . . . 6339 1 1369 . 1 1 125 125 ASP HB2 H 1 2.450 0.03 . 2 . . . . . . . . 6339 1 1370 . 1 1 125 125 ASP C C 13 175.322 0.3 . 1 . . . . . . . . 6339 1 1371 . 1 1 126 126 LEU N N 15 124.675 0.3 . 1 . . . . . . . . 6339 1 1372 . 1 1 126 126 LEU H H 1 8.220 0.03 . 1 . . . . . . . . 6339 1 1373 . 1 1 126 126 LEU CA C 13 52.913 0.3 . 1 . . . . . . . . 6339 1 1374 . 1 1 126 126 LEU HA H 1 4.500 0.03 . 1 . . . . . . . . 6339 1 1375 . 1 1 126 126 LEU CB C 13 43.258 0.3 . 1 . . . . . . . . 6339 1 1376 . 1 1 126 126 LEU HB3 H 1 1.790 0.03 . 2 . . . . . . . . 6339 1 1377 . 1 1 126 126 LEU HB2 H 1 1.370 0.03 . 2 . . . . . . . . 6339 1 1378 . 1 1 126 126 LEU HG H 1 1.636 0.03 . 1 . . . . . . . . 6339 1 1379 . 1 1 126 126 LEU HD11 H 1 0.723 0.03 . 2 . . . . . . . . 6339 1 1380 . 1 1 126 126 LEU HD12 H 1 0.723 0.03 . 2 . . . . . . . . 6339 1 1381 . 1 1 126 126 LEU HD13 H 1 0.723 0.03 . 2 . . . . . . . . 6339 1 1382 . 1 1 126 126 LEU HD21 H 1 0.673 0.03 . 2 . . . . . . . . 6339 1 1383 . 1 1 126 126 LEU HD22 H 1 0.673 0.03 . 2 . . . . . . . . 6339 1 1384 . 1 1 126 126 LEU HD23 H 1 0.673 0.03 . 2 . . . . . . . . 6339 1 1385 . 1 1 127 127 PRO CA C 13 63.718 0.3 . 1 . . . . . . . . 6339 1 1386 . 1 1 127 127 PRO HA H 1 4.221 0.03 . 1 . . . . . . . . 6339 1 1387 . 1 1 127 127 PRO CB C 13 31.202 0.3 . 1 . . . . . . . . 6339 1 1388 . 1 1 127 127 PRO HB3 H 1 2.318 0.03 . 2 . . . . . . . . 6339 1 1389 . 1 1 127 127 PRO HB2 H 1 1.879 0.03 . 2 . . . . . . . . 6339 1 1390 . 1 1 127 127 PRO CG C 13 27.884 0.3 . 1 . . . . . . . . 6339 1 1391 . 1 1 127 127 PRO CD C 13 50.192 0.3 . 1 . . . . . . . . 6339 1 1392 . 1 1 127 127 PRO HD3 H 1 3.569 0.03 . 2 . . . . . . . . 6339 1 1393 . 1 1 127 127 PRO HD2 H 1 3.616 0.03 . 2 . . . . . . . . 6339 1 1394 . 1 1 127 127 PRO C C 13 178.254 0.3 . 1 . . . . . . . . 6339 1 1395 . 1 1 128 128 VAL N N 15 119.535 0.3 . 1 . . . . . . . . 6339 1 1396 . 1 1 128 128 VAL H H 1 8.930 0.03 . 1 . . . . . . . . 6339 1 1397 . 1 1 128 128 VAL CA C 13 69.420 0.3 . 1 . . . . . . . . 6339 1 1398 . 1 1 128 128 VAL HA H 1 3.189 0.03 . 1 . . . . . . . . 6339 1 1399 . 1 1 128 128 VAL CB C 13 30.339 0.3 . 1 . . . . . . . . 6339 1 1400 . 1 1 128 128 VAL HB H 1 2.740 0.03 . 1 . . . . . . . . 6339 1 1401 . 1 1 128 128 VAL CG2 C 13 21.643 0.3 . 1 . . . . . . . . 6339 1 1402 . 1 1 128 128 VAL HG21 H 1 0.896 0.03 . 2 . . . . . . . . 6339 1 1403 . 1 1 128 128 VAL HG22 H 1 0.896 0.03 . 2 . . . . . . . . 6339 1 1404 . 1 1 128 128 VAL HG23 H 1 0.896 0.03 . 2 . . . . . . . . 6339 1 1405 . 1 1 128 128 VAL C C 13 178.254 0.3 . 1 . . . . . . . . 6339 1 1406 . 1 1 129 129 VAL N N 15 118.996 0.3 . 1 . . . . . . . . 6339 1 1407 . 1 1 129 129 VAL H H 1 8.940 0.03 . 1 . . . . . . . . 6339 1 1408 . 1 1 129 129 VAL CA C 13 63.523 0.3 . 1 . . . . . . . . 6339 1 1409 . 1 1 129 129 VAL HA H 1 3.950 0.03 . 1 . . . . . . . . 6339 1 1410 . 1 1 129 129 VAL CB C 13 33.596 0.3 . 1 . . . . . . . . 6339 1 1411 . 1 1 129 129 VAL HB H 1 2.030 0.03 . 1 . . . . . . . . 6339 1 1412 . 1 1 129 129 VAL CG2 C 13 21.370 0.3 . 1 . . . . . . . . 6339 1 1413 . 1 1 129 129 VAL HG21 H 1 0.910 0.03 . 2 . . . . . . . . 6339 1 1414 . 1 1 129 129 VAL HG22 H 1 0.910 0.03 . 2 . . . . . . . . 6339 1 1415 . 1 1 129 129 VAL HG23 H 1 0.910 0.03 . 2 . . . . . . . . 6339 1 1416 . 1 1 129 129 VAL HG11 H 1 0.930 0.03 . 2 . . . . . . . . 6339 1 1417 . 1 1 129 129 VAL HG12 H 1 0.930 0.03 . 2 . . . . . . . . 6339 1 1418 . 1 1 129 129 VAL HG13 H 1 0.930 0.03 . 2 . . . . . . . . 6339 1 1419 . 1 1 129 129 VAL C C 13 177.012 0.3 . 1 . . . . . . . . 6339 1 1420 . 1 1 130 130 GLY N N 15 111.074 0.3 . 1 . . . . . . . . 6339 1 1421 . 1 1 130 130 GLY H H 1 8.136 0.03 . 1 . . . . . . . . 6339 1 1422 . 1 1 130 130 GLY CA C 13 44.952 0.3 . 1 . . . . . . . . 6339 1 1423 . 1 1 130 130 GLY HA3 H 1 4.173 0.03 . 2 . . . . . . . . 6339 1 1424 . 1 1 130 130 GLY HA2 H 1 3.947 0.03 . 2 . . . . . . . . 6339 1 1425 . 1 1 130 130 GLY C C 13 174.269 0.3 . 1 . . . . . . . . 6339 1 1426 . 1 1 131 131 GLU N N 15 123.382 0.3 . 1 . . . . . . . . 6339 1 1427 . 1 1 131 131 GLU H H 1 8.328 0.03 . 1 . . . . . . . . 6339 1 1428 . 1 1 131 131 GLU CA C 13 58.217 0.3 . 1 . . . . . . . . 6339 1 1429 . 1 1 131 131 GLU HA H 1 4.634 0.03 . 1 . . . . . . . . 6339 1 1430 . 1 1 131 131 GLU CB C 13 30.175 0.3 . 1 . . . . . . . . 6339 1 1431 . 1 1 131 131 GLU HB3 H 1 1.810 0.03 . 2 . . . . . . . . 6339 1 1432 . 1 1 131 131 GLU HB2 H 1 1.900 0.03 . 2 . . . . . . . . 6339 1 1433 . 1 1 131 131 GLU CG C 13 36.846 0.3 . 1 . . . . . . . . 6339 1 1434 . 1 1 131 131 GLU HG3 H 1 2.217 0.03 . 2 . . . . . . . . 6339 1 1435 . 1 1 131 131 GLU HG2 H 1 2.110 0.03 . 2 . . . . . . . . 6339 1 1436 . 1 1 131 131 GLU C C 13 177.293 0.3 . 1 . . . . . . . . 6339 1 1437 . 1 1 132 132 PHE N N 15 127.060 0.3 . 1 . . . . . . . . 6339 1 1438 . 1 1 132 132 PHE H H 1 9.264 0.03 . 1 . . . . . . . . 6339 1 1439 . 1 1 132 132 PHE CA C 13 58.192 0.3 . 1 . . . . . . . . 6339 1 1440 . 1 1 132 132 PHE HA H 1 4.647 0.03 . 1 . . . . . . . . 6339 1 1441 . 1 1 132 132 PHE CB C 13 44.011 0.3 . 1 . . . . . . . . 6339 1 1442 . 1 1 132 132 PHE HB3 H 1 3.080 0.03 . 2 . . . . . . . . 6339 1 1443 . 1 1 132 132 PHE HB2 H 1 2.775 0.03 . 2 . . . . . . . . 6339 1 1444 . 1 1 132 132 PHE HD1 H 1 7.135 0.03 . 3 . . . . . . . . 6339 1 1445 . 1 1 132 132 PHE HE1 H 1 7.069 0.03 . 3 . . . . . . . . 6339 1 1446 . 1 1 132 132 PHE C C 13 173.479 0.3 . 1 . . . . . . . . 6339 1 1447 . 1 1 133 133 THR N N 15 123.948 0.3 . 1 . . . . . . . . 6339 1 1448 . 1 1 133 133 THR H H 1 8.080 0.03 . 1 . . . . . . . . 6339 1 1449 . 1 1 133 133 THR CA C 13 62.224 0.3 . 1 . . . . . . . . 6339 1 1450 . 1 1 133 133 THR HA H 1 4.881 0.03 . 1 . . . . . . . . 6339 1 1451 . 1 1 133 133 THR CB C 13 69.787 0.3 . 1 . . . . . . . . 6339 1 1452 . 1 1 133 133 THR HB H 1 3.600 0.03 . 1 . . . . . . . . 6339 1 1453 . 1 1 133 133 THR CG2 C 13 21.360 0.3 . 1 . . . . . . . . 6339 1 1454 . 1 1 133 133 THR HG21 H 1 0.830 0.03 . 1 . . . . . . . . 6339 1 1455 . 1 1 133 133 THR HG22 H 1 0.830 0.03 . 1 . . . . . . . . 6339 1 1456 . 1 1 133 133 THR HG23 H 1 0.830 0.03 . 1 . . . . . . . . 6339 1 1457 . 1 1 133 133 THR C C 13 172.732 0.3 . 1 . . . . . . . . 6339 1 1458 . 1 1 134 134 ILE N N 15 128.474 0.3 . 1 . . . . . . . . 6339 1 1459 . 1 1 134 134 ILE H H 1 9.158 0.03 . 1 . . . . . . . . 6339 1 1460 . 1 1 134 134 ILE CA C 13 57.670 0.3 . 1 . . . . . . . . 6339 1 1461 . 1 1 134 134 ILE HA H 1 4.527 0.03 . 1 . . . . . . . . 6339 1 1462 . 1 1 134 134 ILE CB C 13 39.997 0.3 . 1 . . . . . . . . 6339 1 1463 . 1 1 134 134 ILE HB H 1 1.737 0.03 . 1 . . . . . . . . 6339 1 1464 . 1 1 134 134 ILE CG1 C 13 26.900 0.3 . 2 . . . . . . . . 6339 1 1465 . 1 1 134 134 ILE HG13 H 1 1.422 0.03 . 1 . . . . . . . . 6339 1 1466 . 1 1 134 134 ILE HG12 H 1 1.179 0.03 . 1 . . . . . . . . 6339 1 1467 . 1 1 134 134 ILE CD1 C 13 13.900 0.3 . 1 . . . . . . . . 6339 1 1468 . 1 1 134 134 ILE HD11 H 1 0.974 0.03 . 1 . . . . . . . . 6339 1 1469 . 1 1 134 134 ILE HD12 H 1 0.974 0.03 . 1 . . . . . . . . 6339 1 1470 . 1 1 134 134 ILE HD13 H 1 0.974 0.03 . 1 . . . . . . . . 6339 1 1471 . 1 1 134 134 ILE CG2 C 13 16.600 0.3 . 1 . . . . . . . . 6339 1 1472 . 1 1 134 134 ILE HG21 H 1 0.838 0.03 . 1 . . . . . . . . 6339 1 1473 . 1 1 134 134 ILE HG22 H 1 0.838 0.03 . 1 . . . . . . . . 6339 1 1474 . 1 1 134 134 ILE HG23 H 1 0.838 0.03 . 1 . . . . . . . . 6339 1 1475 . 1 1 135 135 PRO CA C 13 61.710 0.3 . 1 . . . . . . . . 6339 1 1476 . 1 1 135 135 PRO HA H 1 5.238 0.03 . 1 . . . . . . . . 6339 1 1477 . 1 1 135 135 PRO CB C 13 31.873 0.3 . 1 . . . . . . . . 6339 1 1478 . 1 1 135 135 PRO HB3 H 1 2.083 0.03 . 2 . . . . . . . . 6339 1 1479 . 1 1 135 135 PRO HB2 H 1 1.976 0.03 . 2 . . . . . . . . 6339 1 1480 . 1 1 135 135 PRO CG C 13 26.630 0.3 . 1 . . . . . . . . 6339 1 1481 . 1 1 135 135 PRO HG3 H 1 2.052 0.03 . 2 . . . . . . . . 6339 1 1482 . 1 1 135 135 PRO HG2 H 1 2.315 0.03 . 2 . . . . . . . . 6339 1 1483 . 1 1 135 135 PRO CD C 13 50.719 0.3 . 1 . . . . . . . . 6339 1 1484 . 1 1 135 135 PRO HD3 H 1 4.100 0.03 . 2 . . . . . . . . 6339 1 1485 . 1 1 135 135 PRO C C 13 177.218 0.3 . 1 . . . . . . . . 6339 1 1486 . 1 1 136 136 ILE N N 15 125.040 0.3 . 1 . . . . . . . . 6339 1 1487 . 1 1 136 136 ILE H H 1 9.055 0.03 . 1 . . . . . . . . 6339 1 1488 . 1 1 136 136 ILE CA C 13 61.001 0.3 . 1 . . . . . . . . 6339 1 1489 . 1 1 136 136 ILE HA H 1 4.400 0.03 . 1 . . . . . . . . 6339 1 1490 . 1 1 136 136 ILE CB C 13 41.678 0.3 . 1 . . . . . . . . 6339 1 1491 . 1 1 136 136 ILE HB H 1 1.491 0.03 . 1 . . . . . . . . 6339 1 1492 . 1 1 136 136 ILE CG1 C 13 27.135 0.3 . 2 . . . . . . . . 6339 1 1493 . 1 1 136 136 ILE HG13 H 1 1.599 0.03 . 1 . . . . . . . . 6339 1 1494 . 1 1 136 136 ILE CD1 C 13 17.617 0.3 . 1 . . . . . . . . 6339 1 1495 . 1 1 136 136 ILE HD11 H 1 0.773 0.03 . 1 . . . . . . . . 6339 1 1496 . 1 1 136 136 ILE HD12 H 1 0.773 0.03 . 1 . . . . . . . . 6339 1 1497 . 1 1 136 136 ILE HD13 H 1 0.773 0.03 . 1 . . . . . . . . 6339 1 1498 . 1 1 136 136 ILE CG2 C 13 15.008 0.3 . 1 . . . . . . . . 6339 1 1499 . 1 1 136 136 ILE HG21 H 1 0.629 0.03 . 1 . . . . . . . . 6339 1 1500 . 1 1 136 136 ILE HG22 H 1 0.629 0.03 . 1 . . . . . . . . 6339 1 1501 . 1 1 136 136 ILE HG23 H 1 0.629 0.03 . 1 . . . . . . . . 6339 1 1502 . 1 1 136 136 ILE C C 13 174.257 0.3 . 1 . . . . . . . . 6339 1 1503 . 1 1 137 137 SER N N 15 121.118 0.3 . 1 . . . . . . . . 6339 1 1504 . 1 1 137 137 SER H H 1 8.826 0.03 . 1 . . . . . . . . 6339 1 1505 . 1 1 137 137 SER CA C 13 56.717 0.3 . 1 . . . . . . . . 6339 1 1506 . 1 1 137 137 SER HA H 1 5.590 0.03 . 1 . . . . . . . . 6339 1 1507 . 1 1 137 137 SER CB C 13 66.498 0.3 . 1 . . . . . . . . 6339 1 1508 . 1 1 137 137 SER HB3 H 1 3.881 0.03 . 2 . . . . . . . . 6339 1 1509 . 1 1 137 137 SER C C 13 173.820 0.3 . 1 . . . . . . . . 6339 1 1510 . 1 1 138 138 SER N N 15 115.585 0.3 . 1 . . . . . . . . 6339 1 1511 . 1 1 138 138 SER H H 1 8.780 0.03 . 1 . . . . . . . . 6339 1 1512 . 1 1 138 138 SER CA C 13 57.844 0.3 . 1 . . . . . . . . 6339 1 1513 . 1 1 138 138 SER HA H 1 4.720 0.03 . 1 . . . . . . . . 6339 1 1514 . 1 1 138 138 SER CB C 13 65.484 0.3 . 1 . . . . . . . . 6339 1 1515 . 1 1 138 138 SER HB3 H 1 3.623 0.03 . 2 . . . . . . . . 6339 1 1516 . 1 1 138 138 SER HB2 H 1 3.885 0.03 . 2 . . . . . . . . 6339 1 1517 . 1 1 138 138 SER C C 13 171.942 0.3 . 1 . . . . . . . . 6339 1 1518 . 1 1 139 139 LYS N N 15 125.079 0.3 . 1 . . . . . . . . 6339 1 1519 . 1 1 139 139 LYS H H 1 8.264 0.03 . 1 . . . . . . . . 6339 1 1520 . 1 1 139 139 LYS CA C 13 54.994 0.3 . 1 . . . . . . . . 6339 1 1521 . 1 1 139 139 LYS HA H 1 4.489 0.03 . 1 . . . . . . . . 6339 1 1522 . 1 1 139 139 LYS CB C 13 36.061 0.3 . 1 . . . . . . . . 6339 1 1523 . 1 1 139 139 LYS HB3 H 1 1.600 0.03 . 2 . . . . . . . . 6339 1 1524 . 1 1 139 139 LYS HB2 H 1 1.719 0.03 . 2 . . . . . . . . 6339 1 1525 . 1 1 139 139 LYS CG C 13 24.517 0.3 . 1 . . . . . . . . 6339 1 1526 . 1 1 139 139 LYS HG3 H 1 1.378 0.03 . 2 . . . . . . . . 6339 1 1527 . 1 1 139 139 LYS HG2 H 1 1.256 0.03 . 2 . . . . . . . . 6339 1 1528 . 1 1 139 139 LYS CD C 13 29.464 0.3 . 1 . . . . . . . . 6339 1 1529 . 1 1 139 139 LYS HD3 H 1 1.552 0.03 . 2 . . . . . . . . 6339 1 1530 . 1 1 139 139 LYS CE C 13 41.897 0.3 . 1 . . . . . . . . 6339 1 1531 . 1 1 139 139 LYS HE3 H 1 2.843 0.03 . 2 . . . . . . . . 6339 1 1532 . 1 1 139 139 LYS C C 13 174.810 0.3 . 1 . . . . . . . . 6339 1 1533 . 1 1 140 140 GLY N N 15 109.094 0.3 . 1 . . . . . . . . 6339 1 1534 . 1 1 140 140 GLY H H 1 6.700 0.03 . 1 . . . . . . . . 6339 1 1535 . 1 1 140 140 GLY CA C 13 46.496 0.3 . 1 . . . . . . . . 6339 1 1536 . 1 1 140 140 GLY HA3 H 1 3.920 0.03 . 1 . . . . . . . . 6339 1 1537 . 1 1 140 140 GLY HA2 H 1 3.920 0.03 . 1 . . . . . . . . 6339 1 1538 . 1 1 140 140 GLY C C 13 171.982 0.3 . 1 . . . . . . . . 6339 1 1539 . 1 1 141 141 GLU N N 15 124.089 0.3 . 1 . . . . . . . . 6339 1 1540 . 1 1 141 141 GLU H H 1 8.823 0.03 . 1 . . . . . . . . 6339 1 1541 . 1 1 141 141 GLU CA C 13 55.589 0.3 . 1 . . . . . . . . 6339 1 1542 . 1 1 141 141 GLU HA H 1 5.400 0.03 . 1 . . . . . . . . 6339 1 1543 . 1 1 141 141 GLU CB C 13 33.543 0.3 . 1 . . . . . . . . 6339 1 1544 . 1 1 141 141 GLU HB3 H 1 2.202 0.03 . 2 . . . . . . . . 6339 1 1545 . 1 1 141 141 GLU HB2 H 1 1.917 0.03 . 2 . . . . . . . . 6339 1 1546 . 1 1 141 141 GLU CG C 13 35.980 0.3 . 1 . . . . . . . . 6339 1 1547 . 1 1 141 141 GLU HG3 H 1 1.630 0.03 . 2 . . . . . . . . 6339 1 1548 . 1 1 141 141 GLU HG2 H 1 2.180 0.03 . 2 . . . . . . . . 6339 1 1549 . 1 1 141 141 GLU C C 13 172.696 0.3 . 1 . . . . . . . . 6339 1 1550 . 1 1 142 142 ILE N N 15 116.733 0.3 . 1 . . . . . . . . 6339 1 1551 . 1 1 142 142 ILE H H 1 9.284 0.03 . 1 . . . . . . . . 6339 1 1552 . 1 1 142 142 ILE CA C 13 59.436 0.3 . 1 . . . . . . . . 6339 1 1553 . 1 1 142 142 ILE HA H 1 4.680 0.03 . 1 . . . . . . . . 6339 1 1554 . 1 1 142 142 ILE CB C 13 41.512 0.3 . 1 . . . . . . . . 6339 1 1555 . 1 1 142 142 ILE HB H 1 1.728 0.03 . 1 . . . . . . . . 6339 1 1556 . 1 1 142 142 ILE CG1 C 13 33.202 0.3 . 2 . . . . . . . . 6339 1 1557 . 1 1 142 142 ILE HG13 H 1 1.544 0.03 . 1 . . . . . . . . 6339 1 1558 . 1 1 142 142 ILE HG12 H 1 0.961 0.03 . 1 . . . . . . . . 6339 1 1559 . 1 1 142 142 ILE CD1 C 13 19.400 0.3 . 1 . . . . . . . . 6339 1 1560 . 1 1 142 142 ILE HD11 H 1 0.440 0.03 . 1 . . . . . . . . 6339 1 1561 . 1 1 142 142 ILE HD12 H 1 0.440 0.03 . 1 . . . . . . . . 6339 1 1562 . 1 1 142 142 ILE HD13 H 1 0.440 0.03 . 1 . . . . . . . . 6339 1 1563 . 1 1 142 142 ILE CG2 C 13 11.700 0.3 . 1 . . . . . . . . 6339 1 1564 . 1 1 142 142 ILE HG21 H 1 0.214 0.03 . 1 . . . . . . . . 6339 1 1565 . 1 1 142 142 ILE HG22 H 1 0.214 0.03 . 1 . . . . . . . . 6339 1 1566 . 1 1 142 142 ILE HG23 H 1 0.214 0.03 . 1 . . . . . . . . 6339 1 1567 . 1 1 142 142 ILE C C 13 175.133 0.3 . 1 . . . . . . . . 6339 1 1568 . 1 1 143 143 LYS N N 15 120.411 0.3 . 1 . . . . . . . . 6339 1 1569 . 1 1 143 143 LYS H H 1 8.339 0.03 . 1 . . . . . . . . 6339 1 1570 . 1 1 143 143 LYS CA C 13 55.255 0.3 . 1 . . . . . . . . 6339 1 1571 . 1 1 143 143 LYS HA H 1 4.579 0.03 . 1 . . . . . . . . 6339 1 1572 . 1 1 143 143 LYS CB C 13 33.172 0.3 . 1 . . . . . . . . 6339 1 1573 . 1 1 143 143 LYS HB3 H 1 1.780 0.03 . 2 . . . . . . . . 6339 1 1574 . 1 1 143 143 LYS HB2 H 1 1.609 0.03 . 2 . . . . . . . . 6339 1 1575 . 1 1 143 143 LYS CG C 13 24.534 0.3 . 1 . . . . . . . . 6339 1 1576 . 1 1 143 143 LYS CD C 13 28.429 0.3 . 1 . . . . . . . . 6339 1 1577 . 1 1 143 143 LYS CE C 13 42.272 0.3 . 1 . . . . . . . . 6339 1 1578 . 1 1 143 143 LYS HE3 H 1 2.811 0.03 . 2 . . . . . . . . 6339 1 1579 . 1 1 143 143 LYS C C 13 176.978 0.3 . 1 . . . . . . . . 6339 1 1580 . 1 1 144 144 LEU N N 15 123.240 0.3 . 1 . . . . . . . . 6339 1 1581 . 1 1 144 144 LEU H H 1 8.077 0.03 . 1 . . . . . . . . 6339 1 1582 . 1 1 144 144 LEU CA C 13 52.370 0.3 . 1 . . . . . . . . 6339 1 1583 . 1 1 144 144 LEU HA H 1 4.565 0.03 . 1 . . . . . . . . 6339 1 1584 . 1 1 144 144 LEU CB C 13 42.272 0.3 . 1 . . . . . . . . 6339 1 1585 . 1 1 144 144 LEU HB3 H 1 1.400 0.03 . 2 . . . . . . . . 6339 1 1586 . 1 1 144 144 LEU HB2 H 1 1.303 0.03 . 2 . . . . . . . . 6339 1 1587 . 1 1 144 144 LEU HD11 H 1 0.721 0.03 . 2 . . . . . . . . 6339 1 1588 . 1 1 144 144 LEU HD12 H 1 0.721 0.03 . 2 . . . . . . . . 6339 1 1589 . 1 1 144 144 LEU HD13 H 1 0.721 0.03 . 2 . . . . . . . . 6339 1 1590 . 1 1 144 144 LEU HD21 H 1 0.906 0.03 . 2 . . . . . . . . 6339 1 1591 . 1 1 144 144 LEU HD22 H 1 0.906 0.03 . 2 . . . . . . . . 6339 1 1592 . 1 1 144 144 LEU HD23 H 1 0.906 0.03 . 2 . . . . . . . . 6339 1 1593 . 1 1 145 145 PRO CA C 13 61.649 0.3 . 1 . . . . . . . . 6339 1 1594 . 1 1 145 145 PRO HA H 1 4.248 0.03 . 1 . . . . . . . . 6339 1 1595 . 1 1 145 145 PRO CB C 13 32.225 0.3 . 1 . . . . . . . . 6339 1 1596 . 1 1 145 145 PRO HB3 H 1 2.030 0.03 . 2 . . . . . . . . 6339 1 1597 . 1 1 145 145 PRO HB2 H 1 1.988 0.03 . 2 . . . . . . . . 6339 1 1598 . 1 1 145 145 PRO CG C 13 27.211 0.3 . 1 . . . . . . . . 6339 1 1599 . 1 1 145 145 PRO HG3 H 1 1.643 0.03 . 2 . . . . . . . . 6339 1 1600 . 1 1 145 145 PRO CD C 13 49.100 0.3 . 1 . . . . . . . . 6339 1 1601 . 1 1 145 145 PRO C C 13 174.577 0.3 . 1 . . . . . . . . 6339 1 1602 . 1 1 146 146 THR N N 15 115.177 0.3 . 1 . . . . . . . . 6339 1 1603 . 1 1 146 146 THR H H 1 8.403 0.03 . 1 . . . . . . . . 6339 1 1604 . 1 1 146 146 THR CA C 13 61.865 0.3 . 1 . . . . . . . . 6339 1 1605 . 1 1 146 146 THR HA H 1 4.102 0.03 . 1 . . . . . . . . 6339 1 1606 . 1 1 146 146 THR CB C 13 68.575 0.3 . 1 . . . . . . . . 6339 1 1607 . 1 1 146 146 THR HB H 1 4.120 0.03 . 1 . . . . . . . . 6339 1 1608 . 1 1 146 146 THR CG2 C 13 22.211 0.3 . 1 . . . . . . . . 6339 1 1609 . 1 1 146 146 THR HG21 H 1 1.180 0.03 . 1 . . . . . . . . 6339 1 1610 . 1 1 146 146 THR HG22 H 1 1.180 0.03 . 1 . . . . . . . . 6339 1 1611 . 1 1 146 146 THR HG23 H 1 1.180 0.03 . 1 . . . . . . . . 6339 1 1612 . 1 1 146 146 THR C C 13 174.957 0.3 . 1 . . . . . . . . 6339 1 1613 . 1 1 147 147 PHE N N 15 124.655 0.3 . 1 . . . . . . . . 6339 1 1614 . 1 1 147 147 PHE H H 1 7.881 0.03 . 1 . . . . . . . . 6339 1 1615 . 1 1 147 147 PHE CA C 13 59.403 0.3 . 1 . . . . . . . . 6339 1 1616 . 1 1 147 147 PHE HA H 1 4.631 0.03 . 1 . . . . . . . . 6339 1 1617 . 1 1 147 147 PHE CB C 13 39.098 0.3 . 1 . . . . . . . . 6339 1 1618 . 1 1 147 147 PHE HB3 H 1 2.930 0.03 . 2 . . . . . . . . 6339 1 1619 . 1 1 147 147 PHE HB2 H 1 3.265 0.03 . 2 . . . . . . . . 6339 1 1620 . 1 1 147 147 PHE CD1 C 13 133.446 0.3 . 3 . . . . . . . . 6339 1 1621 . 1 1 147 147 PHE HD1 H 1 7.345 0.03 . 3 . . . . . . . . 6339 1 1622 . 1 1 147 147 PHE HE1 H 1 6.901 0.03 . 3 . . . . . . . . 6339 1 1623 . 1 1 148 148 LYS N N 15 118.713 0.3 . 1 . . . . . . . . 6339 1 1624 . 1 1 148 148 LYS H H 1 8.216 0.03 . 1 . . . . . . . . 6339 1 1625 . 1 1 148 148 LYS CA C 13 57.181 0.3 . 1 . . . . . . . . 6339 1 1626 . 1 1 148 148 LYS HA H 1 4.065 0.03 . 1 . . . . . . . . 6339 1 1627 . 1 1 148 148 LYS CB C 13 33.040 0.3 . 1 . . . . . . . . 6339 1 1628 . 1 1 148 148 LYS HB3 H 1 1.633 0.03 . 2 . . . . . . . . 6339 1 1629 . 1 1 148 148 LYS HB2 H 1 1.320 0.03 . 2 . . . . . . . . 6339 1 1630 . 1 1 148 148 LYS CG C 13 24.351 0.3 . 1 . . . . . . . . 6339 1 1631 . 1 1 148 148 LYS HG3 H 1 1.160 0.03 . 2 . . . . . . . . 6339 1 1632 . 1 1 148 148 LYS HG2 H 1 1.655 0.03 . 2 . . . . . . . . 6339 1 1633 . 1 1 148 148 LYS CD C 13 29.190 0.3 . 1 . . . . . . . . 6339 1 1634 . 1 1 148 148 LYS CE C 13 42.104 0.3 . 1 . . . . . . . . 6339 1 1635 . 1 1 148 148 LYS HE3 H 1 2.925 0.03 . 2 . . . . . . . . 6339 1 1636 . 1 1 148 148 LYS C C 13 176.197 0.3 . 1 . . . . . . . . 6339 1 1637 . 1 1 149 149 ASP N N 15 119.138 0.3 . 1 . . . . . . . . 6339 1 1638 . 1 1 149 149 ASP H H 1 7.964 0.03 . 1 . . . . . . . . 6339 1 1639 . 1 1 149 149 ASP CA C 13 55.176 0.3 . 1 . . . . . . . . 6339 1 1640 . 1 1 149 149 ASP HA H 1 4.420 0.03 . 1 . . . . . . . . 6339 1 1641 . 1 1 149 149 ASP CB C 13 40.729 0.3 . 1 . . . . . . . . 6339 1 1642 . 1 1 149 149 ASP HB3 H 1 2.348 0.03 . 2 . . . . . . . . 6339 1 1643 . 1 1 149 149 ASP HB2 H 1 2.375 0.03 . 2 . . . . . . . . 6339 1 1644 . 1 1 149 149 ASP C C 13 175.708 0.3 . 1 . . . . . . . . 6339 1 1645 . 1 1 150 150 PHE N N 15 119.138 0.3 . 1 . . . . . . . . 6339 1 1646 . 1 1 150 150 PHE H H 1 7.857 0.03 . 1 . . . . . . . . 6339 1 1647 . 1 1 150 150 PHE CA C 13 57.636 0.3 . 1 . . . . . . . . 6339 1 1648 . 1 1 150 150 PHE HA H 1 4.456 0.03 . 1 . . . . . . . . 6339 1 1649 . 1 1 150 150 PHE CB C 13 39.813 0.3 . 1 . . . . . . . . 6339 1 1650 . 1 1 150 150 PHE HB3 H 1 2.903 0.03 . 2 . . . . . . . . 6339 1 1651 . 1 1 150 150 PHE HB2 H 1 2.860 0.03 . 2 . . . . . . . . 6339 1 1652 . 1 1 150 150 PHE HD1 H 1 7.070 0.03 . 3 . . . . . . . . 6339 1 1653 . 1 1 150 150 PHE HE1 H 1 7.184 0.03 . 3 . . . . . . . . 6339 1 1654 . 1 1 150 150 PHE C C 13 174.450 0.3 . 1 . . . . . . . . 6339 1 1655 . 1 1 151 151 PHE N N 15 125.504 0.3 . 1 . . . . . . . . 6339 1 1656 . 1 1 151 151 PHE H H 1 7.480 0.03 . 1 . . . . . . . . 6339 1 1657 . 1 1 151 151 PHE CA C 13 59.146 0.3 . 1 . . . . . . . . 6339 1 1658 . 1 1 151 151 PHE HA H 1 4.370 0.03 . 1 . . . . . . . . 6339 1 1659 . 1 1 151 151 PHE CB C 13 40.203 0.3 . 1 . . . . . . . . 6339 1 1660 . 1 1 151 151 PHE HB3 H 1 2.913 0.03 . 2 . . . . . . . . 6339 1 1661 . 1 1 151 151 PHE HB2 H 1 3.118 0.03 . 2 . . . . . . . . 6339 1 1662 . 1 1 151 151 PHE HD1 H 1 7.111 0.03 . 3 . . . . . . . . 6339 1 1663 . 1 1 151 151 PHE HE1 H 1 7.231 0.03 . 3 . . . . . . . . 6339 1 stop_ save_