data_6340 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6340 _Entry.Title ; Solution structure of AT3g03773 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 . . . 6340 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6340 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 590 6340 '15N chemical shifts' 158 6340 '1H chemical shifts' 925 6340 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 . . 2009-07-06 2004-10-06 update BMRB 'added time domain data' 6340 1 . . 2004-10-13 2004-10-06 original author 'original release' 6340 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6340 _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 AT3g03773 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 'p23 domain' 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 . . . 6340 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein Structure Initiative' 6340 1 'Structural Genomics' 6340 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AT3g03773 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AT3g03773 _Assembly.Entry_ID 6340 _Assembly.ID 1 _Assembly.Name 'AT3g03773 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 6340 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 'AT3g03773 monomer' 1 $AT3g03773_monomer . . . native . . . . . 6340 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID AT3g03773 abbreviation 6340 1 'AT3g03773 monomer' system 6340 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AT3g03773_monomer _Entity.Sf_category entity _Entity.Sf_framecode AT3g03773_monomer _Entity.Entry_ID 6340 _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 ; MSRNPEVLWAQRSDKVYLTV ALPDAKDISVKCEPQGLFSF SALGAQGERFEFSLELYGKI MTEYRKNVGLRNIIFSIQKE ERSWWTRLLKSEEKPAPYIK VDWNKWCDEDEEVNSETASD DESAFVNQDSESSDDDGLLY LPDLEKARNK ; _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 150 _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 BMRB 16442 . At3g03773.1 . . . . . 99.33 150 100.00 100.00 3.60e-103 . . . . 6340 1 2 no PDB 2KMW . "Solution Structure Of At3g03773.1 Protein From Arabidopsis Thaliana" . . . . . 99.33 150 100.00 100.00 3.60e-103 . . . . 6340 1 3 no GB AAT41786 . "At3g03773 [Arabidopsis thaliana]" . . . . . 100.00 150 100.00 100.00 4.18e-104 . . . . 6340 1 4 no GB AAT68743 . "hypothetical protein At3g03773 [Arabidopsis thaliana]" . . . . . 100.00 150 100.00 100.00 4.18e-104 . . . . 6340 1 5 no GB AAT68744 . "hypothetical protein At3g03773 [Arabidopsis thaliana]" . . . . . 78.00 117 97.44 99.15 1.38e-77 . . . . 6340 1 6 no GB AAT70471 . "At3g03773 [Arabidopsis thaliana]" . . . . . 100.00 150 100.00 100.00 4.18e-104 . . . . 6340 1 7 no GB AAX55169 . "hypothetical protein At3g03773 [Arabidopsis thaliana]" . . . . . 100.00 150 100.00 100.00 4.18e-104 . . . . 6340 1 8 no REF NP_001154589 . "p23 co-chaperone protein [Arabidopsis thaliana]" . . . . . 100.00 204 99.33 99.33 1.03e-102 . . . . 6340 1 9 no REF NP_683525 . "p23 co-chaperone protein [Arabidopsis thaliana]" . . . . . 100.00 150 100.00 100.00 4.18e-104 . . . . 6340 1 10 no SP Q6ID70 . "RecName: Full=Uncharacterized protein At3g03773 [Arabidopsis thaliana]" . . . . . 100.00 150 100.00 100.00 4.18e-104 . . . . 6340 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Arabidopsis Thaliana' abbreviation 6340 1 'Arabidopsis Thaliana' common 6340 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 . 6340 1 2 . SER . 6340 1 3 . ARG . 6340 1 4 . ASN . 6340 1 5 . PRO . 6340 1 6 . GLU . 6340 1 7 . VAL . 6340 1 8 . LEU . 6340 1 9 . TRP . 6340 1 10 . ALA . 6340 1 11 . GLN . 6340 1 12 . ARG . 6340 1 13 . SER . 6340 1 14 . ASP . 6340 1 15 . LYS . 6340 1 16 . VAL . 6340 1 17 . TYR . 6340 1 18 . LEU . 6340 1 19 . THR . 6340 1 20 . VAL . 6340 1 21 . ALA . 6340 1 22 . LEU . 6340 1 23 . PRO . 6340 1 24 . ASP . 6340 1 25 . ALA . 6340 1 26 . LYS . 6340 1 27 . ASP . 6340 1 28 . ILE . 6340 1 29 . SER . 6340 1 30 . VAL . 6340 1 31 . LYS . 6340 1 32 . CYS . 6340 1 33 . GLU . 6340 1 34 . PRO . 6340 1 35 . GLN . 6340 1 36 . GLY . 6340 1 37 . LEU . 6340 1 38 . PHE . 6340 1 39 . SER . 6340 1 40 . PHE . 6340 1 41 . SER . 6340 1 42 . ALA . 6340 1 43 . LEU . 6340 1 44 . GLY . 6340 1 45 . ALA . 6340 1 46 . GLN . 6340 1 47 . GLY . 6340 1 48 . GLU . 6340 1 49 . ARG . 6340 1 50 . PHE . 6340 1 51 . GLU . 6340 1 52 . PHE . 6340 1 53 . SER . 6340 1 54 . LEU . 6340 1 55 . GLU . 6340 1 56 . LEU . 6340 1 57 . TYR . 6340 1 58 . GLY . 6340 1 59 . LYS . 6340 1 60 . ILE . 6340 1 61 . MET . 6340 1 62 . THR . 6340 1 63 . GLU . 6340 1 64 . TYR . 6340 1 65 . ARG . 6340 1 66 . LYS . 6340 1 67 . ASN . 6340 1 68 . VAL . 6340 1 69 . GLY . 6340 1 70 . LEU . 6340 1 71 . ARG . 6340 1 72 . ASN . 6340 1 73 . ILE . 6340 1 74 . ILE . 6340 1 75 . PHE . 6340 1 76 . SER . 6340 1 77 . ILE . 6340 1 78 . GLN . 6340 1 79 . LYS . 6340 1 80 . GLU . 6340 1 81 . GLU . 6340 1 82 . ARG . 6340 1 83 . SER . 6340 1 84 . TRP . 6340 1 85 . TRP . 6340 1 86 . THR . 6340 1 87 . ARG . 6340 1 88 . LEU . 6340 1 89 . LEU . 6340 1 90 . LYS . 6340 1 91 . SER . 6340 1 92 . GLU . 6340 1 93 . GLU . 6340 1 94 . LYS . 6340 1 95 . PRO . 6340 1 96 . ALA . 6340 1 97 . PRO . 6340 1 98 . TYR . 6340 1 99 . ILE . 6340 1 100 . LYS . 6340 1 101 . VAL . 6340 1 102 . ASP . 6340 1 103 . TRP . 6340 1 104 . ASN . 6340 1 105 . LYS . 6340 1 106 . TRP . 6340 1 107 . CYS . 6340 1 108 . ASP . 6340 1 109 . GLU . 6340 1 110 . ASP . 6340 1 111 . GLU . 6340 1 112 . GLU . 6340 1 113 . VAL . 6340 1 114 . ASN . 6340 1 115 . SER . 6340 1 116 . GLU . 6340 1 117 . THR . 6340 1 118 . ALA . 6340 1 119 . SER . 6340 1 120 . ASP . 6340 1 121 . ASP . 6340 1 122 . GLU . 6340 1 123 . SER . 6340 1 124 . ALA . 6340 1 125 . PHE . 6340 1 126 . VAL . 6340 1 127 . ASN . 6340 1 128 . GLN . 6340 1 129 . ASP . 6340 1 130 . SER . 6340 1 131 . GLU . 6340 1 132 . SER . 6340 1 133 . SER . 6340 1 134 . ASP . 6340 1 135 . ASP . 6340 1 136 . ASP . 6340 1 137 . GLY . 6340 1 138 . LEU . 6340 1 139 . LEU . 6340 1 140 . TYR . 6340 1 141 . LEU . 6340 1 142 . PRO . 6340 1 143 . ASP . 6340 1 144 . LEU . 6340 1 145 . GLU . 6340 1 146 . LYS . 6340 1 147 . ALA . 6340 1 148 . ARG . 6340 1 149 . ASN . 6340 1 150 . LYS . 6340 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 6340 1 . SER 2 2 6340 1 . ARG 3 3 6340 1 . ASN 4 4 6340 1 . PRO 5 5 6340 1 . GLU 6 6 6340 1 . VAL 7 7 6340 1 . LEU 8 8 6340 1 . TRP 9 9 6340 1 . ALA 10 10 6340 1 . GLN 11 11 6340 1 . ARG 12 12 6340 1 . SER 13 13 6340 1 . ASP 14 14 6340 1 . LYS 15 15 6340 1 . VAL 16 16 6340 1 . TYR 17 17 6340 1 . LEU 18 18 6340 1 . THR 19 19 6340 1 . VAL 20 20 6340 1 . ALA 21 21 6340 1 . LEU 22 22 6340 1 . PRO 23 23 6340 1 . ASP 24 24 6340 1 . ALA 25 25 6340 1 . LYS 26 26 6340 1 . ASP 27 27 6340 1 . ILE 28 28 6340 1 . SER 29 29 6340 1 . VAL 30 30 6340 1 . LYS 31 31 6340 1 . CYS 32 32 6340 1 . GLU 33 33 6340 1 . PRO 34 34 6340 1 . GLN 35 35 6340 1 . GLY 36 36 6340 1 . LEU 37 37 6340 1 . PHE 38 38 6340 1 . SER 39 39 6340 1 . PHE 40 40 6340 1 . SER 41 41 6340 1 . ALA 42 42 6340 1 . LEU 43 43 6340 1 . GLY 44 44 6340 1 . ALA 45 45 6340 1 . GLN 46 46 6340 1 . GLY 47 47 6340 1 . GLU 48 48 6340 1 . ARG 49 49 6340 1 . PHE 50 50 6340 1 . GLU 51 51 6340 1 . PHE 52 52 6340 1 . SER 53 53 6340 1 . LEU 54 54 6340 1 . GLU 55 55 6340 1 . LEU 56 56 6340 1 . TYR 57 57 6340 1 . GLY 58 58 6340 1 . LYS 59 59 6340 1 . ILE 60 60 6340 1 . MET 61 61 6340 1 . THR 62 62 6340 1 . GLU 63 63 6340 1 . TYR 64 64 6340 1 . ARG 65 65 6340 1 . LYS 66 66 6340 1 . ASN 67 67 6340 1 . VAL 68 68 6340 1 . GLY 69 69 6340 1 . LEU 70 70 6340 1 . ARG 71 71 6340 1 . ASN 72 72 6340 1 . ILE 73 73 6340 1 . ILE 74 74 6340 1 . PHE 75 75 6340 1 . SER 76 76 6340 1 . ILE 77 77 6340 1 . GLN 78 78 6340 1 . LYS 79 79 6340 1 . GLU 80 80 6340 1 . GLU 81 81 6340 1 . ARG 82 82 6340 1 . SER 83 83 6340 1 . TRP 84 84 6340 1 . TRP 85 85 6340 1 . THR 86 86 6340 1 . ARG 87 87 6340 1 . LEU 88 88 6340 1 . LEU 89 89 6340 1 . LYS 90 90 6340 1 . SER 91 91 6340 1 . GLU 92 92 6340 1 . GLU 93 93 6340 1 . LYS 94 94 6340 1 . PRO 95 95 6340 1 . ALA 96 96 6340 1 . PRO 97 97 6340 1 . TYR 98 98 6340 1 . ILE 99 99 6340 1 . LYS 100 100 6340 1 . VAL 101 101 6340 1 . ASP 102 102 6340 1 . TRP 103 103 6340 1 . ASN 104 104 6340 1 . LYS 105 105 6340 1 . TRP 106 106 6340 1 . CYS 107 107 6340 1 . ASP 108 108 6340 1 . GLU 109 109 6340 1 . ASP 110 110 6340 1 . GLU 111 111 6340 1 . GLU 112 112 6340 1 . VAL 113 113 6340 1 . ASN 114 114 6340 1 . SER 115 115 6340 1 . GLU 116 116 6340 1 . THR 117 117 6340 1 . ALA 118 118 6340 1 . SER 119 119 6340 1 . ASP 120 120 6340 1 . ASP 121 121 6340 1 . GLU 122 122 6340 1 . SER 123 123 6340 1 . ALA 124 124 6340 1 . PHE 125 125 6340 1 . VAL 126 126 6340 1 . ASN 127 127 6340 1 . GLN 128 128 6340 1 . ASP 129 129 6340 1 . SER 130 130 6340 1 . GLU 131 131 6340 1 . SER 132 132 6340 1 . SER 133 133 6340 1 . ASP 134 134 6340 1 . ASP 135 135 6340 1 . ASP 136 136 6340 1 . GLY 137 137 6340 1 . LEU 138 138 6340 1 . LEU 139 139 6340 1 . TYR 140 140 6340 1 . LEU 141 141 6340 1 . PRO 142 142 6340 1 . ASP 143 143 6340 1 . LEU 144 144 6340 1 . GLU 145 145 6340 1 . LYS 146 146 6340 1 . ALA 147 147 6340 1 . ARG 148 148 6340 1 . ASN 149 149 6340 1 . LYS 150 150 6340 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 6340 _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 $AT3g03773_monomer . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6340 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 6340 _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 $AT3g03773_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6340 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6340 _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 $AT3g03773_monomer . . 1 0.5 1.0 mM . . . . 6340 1 2 Bis-Tris . . . . . . . 10 . . mM . . . . 6340 1 3 NaCl . . . . . . . 50 . . mM . . . . 6340 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 6340 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.002 M 6340 1 pH 6.5 0.2 n/a 6340 1 temperature 298 1 K 6340 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 6340 _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 6340 _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 . . . 6340 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 6340 _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 'N15 HSQC' yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6340 1 2 HNCACB yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6340 1 3 CBCACONH yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6340 1 4 HBHACONH yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6340 1 5 HCCONH yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6340 1 6 CCONH yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6340 1 7 HNCO yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6340 1 8 CCH-TOCSY yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6340 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 6340 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'N15 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 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/gNfhsqc_072204.fid/' . . . . . . . 6340 1 gNfhsqcA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/gNfhsqc_072204.fid/' . . . . . . . 6340 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/gNfhsqc_072204.fid/' . . . . . . . 6340 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/gNfhsqc_072204.fid/' . . . . . . . 6340 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 6340 _NMR_spec_expt.ID 2 _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 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_ghn_cacbA_072604.fid/' . . . . . . . 6340 2 NEW_ghn_cacbA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_ghn_cacbA_072604.fid/' . . . . . . . 6340 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_ghn_cacbA_072604.fid/' . . . . . . . 6340 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_ghn_cacbA_072604.fid/' . . . . . . . 6340 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 6340 _NMR_spec_expt.ID 3 _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 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_gcbca_co_nhA_072804.fid/' . . . . . . . 6340 3 NEW_gcbca_co_nhA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_gcbca_co_nhA_072804.fid/' . . . . . . . 6340 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_gcbca_co_nhA_072804.fid/' . . . . . . . 6340 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_gcbca_co_nhA_072804.fid/' . . . . . . . 6340 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 6340 _NMR_spec_expt.ID 4 _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 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_ghbha_co_nhA_081104.fid/' . . . . . . . 6340 4 NEW_ghbha_co_nh.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_ghbha_co_nhA_081104.fid/' . . . . . . . 6340 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_ghbha_co_nhA_081104.fid/' . . . . . . . 6340 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/NEW_ghbha_co_nhA_081104.fid/' . . . . . . . 6340 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 6340 _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 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/new_ghc_co_nhA_080204.fid/' . . . . . . . 6340 5 new_ghc_co_nhA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/new_ghc_co_nhA_080204.fid/' . . . . . . . 6340 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/new_ghc_co_nhA_080204.fid/' . . . . . . . 6340 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/new_ghc_co_nhA_080204.fid/' . . . . . . . 6340 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 6340 _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 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/cconh_60.fid/' . . . . . . . 6340 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/cconh_60.fid/' . . . . . . . 6340 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/cconh_60.fid/' . . . . . . . 6340 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 6340 _NMR_spec_expt.ID 7 _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 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/HNCO_072304.fid/' . . . . . . . 6340 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/HNCO_072304.fid/' . . . . . . . 6340 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/HNCO_072304.fid/' . . . . . . . 6340 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 6340 _NMR_spec_expt.ID 8 _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 cch_tocsyA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/cch_tocsyA_081304.fid/' . . . . . . . 6340 8 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/cch_tocsyA_081304.fid/' . . . . . . . 6340 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/cch_tocsyA_081304.fid/' . . . . . . . 6340 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6340/timedomain_data/AT3g03773/cch_tocsyA_081304.fid/' . . . . . . . 6340 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 6340 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6340 1 H 1 H2O protons . . . . ppm 4.773 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6340 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6340 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 6340 _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 . 6340 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 SER CA C 13 58.295 0.3 . 1 . . . . . . . . 6340 1 2 . 1 1 2 2 SER HA H 1 4.609 0.03 . 1 . . . . . . . . 6340 1 3 . 1 1 2 2 SER CB C 13 64.451 0.3 . 1 . . . . . . . . 6340 1 4 . 1 1 2 2 SER HB3 H 1 3.701 0.03 . 2 . . . . . . . . 6340 1 5 . 1 1 2 2 SER C C 13 173.453 0.3 . 1 . . . . . . . . 6340 1 6 . 1 1 3 3 ARG N N 15 121.912 0.3 . 1 . . . . . . . . 6340 1 7 . 1 1 3 3 ARG H H 1 8.436 0.03 . 1 . . . . . . . . 6340 1 8 . 1 1 3 3 ARG CA C 13 55.463 0.3 . 1 . . . . . . . . 6340 1 9 . 1 1 3 3 ARG HA H 1 4.400 0.03 . 1 . . . . . . . . 6340 1 10 . 1 1 3 3 ARG CB C 13 32.352 0.3 . 1 . . . . . . . . 6340 1 11 . 1 1 3 3 ARG HB3 H 1 1.604 0.03 . 2 . . . . . . . . 6340 1 12 . 1 1 3 3 ARG HB2 H 1 1.288 0.03 . 2 . . . . . . . . 6340 1 13 . 1 1 3 3 ARG CG C 13 27.073 0.3 . 1 . . . . . . . . 6340 1 14 . 1 1 3 3 ARG HG3 H 1 1.410 0.03 . 2 . . . . . . . . 6340 1 15 . 1 1 3 3 ARG CD C 13 43.695 0.3 . 1 . . . . . . . . 6340 1 16 . 1 1 3 3 ARG HD3 H 1 2.924 0.03 . 2 . . . . . . . . 6340 1 17 . 1 1 3 3 ARG HD2 H 1 2.983 0.03 . 2 . . . . . . . . 6340 1 18 . 1 1 3 3 ARG C C 13 175.217 0.3 . 1 . . . . . . . . 6340 1 19 . 1 1 4 4 ASN N N 15 119.649 0.3 . 1 . . . . . . . . 6340 1 20 . 1 1 4 4 ASN H H 1 8.542 0.03 . 1 . . . . . . . . 6340 1 21 . 1 1 4 4 ASN CA C 13 50.787 0.3 . 1 . . . . . . . . 6340 1 22 . 1 1 4 4 ASN HA H 1 5.451 0.03 . 1 . . . . . . . . 6340 1 23 . 1 1 4 4 ASN CB C 13 39.321 0.3 . 1 . . . . . . . . 6340 1 24 . 1 1 4 4 ASN HB3 H 1 1.916 0.03 . 2 . . . . . . . . 6340 1 25 . 1 1 4 4 ASN HB2 H 1 1.612 0.03 . 2 . . . . . . . . 6340 1 26 . 1 1 4 4 ASN ND2 N 15 109.812 0.3 . 1 . . . . . . . . 6340 1 27 . 1 1 4 4 ASN HD21 H 1 7.630 0.03 . 2 . . . . . . . . 6340 1 28 . 1 1 4 4 ASN HD22 H 1 6.970 0.03 . 2 . . . . . . . . 6340 1 29 . 1 1 5 5 PRO CA C 13 61.948 0.3 . 1 . . . . . . . . 6340 1 30 . 1 1 5 5 PRO HA H 1 4.760 0.03 . 1 . . . . . . . . 6340 1 31 . 1 1 5 5 PRO CB C 13 31.571 0.3 . 1 . . . . . . . . 6340 1 32 . 1 1 5 5 PRO HB3 H 1 1.730 0.03 . 2 . . . . . . . . 6340 1 33 . 1 1 5 5 PRO HB2 H 1 1.840 0.03 . 2 . . . . . . . . 6340 1 34 . 1 1 5 5 PRO CG C 13 26.848 0.3 . 1 . . . . . . . . 6340 1 35 . 1 1 5 5 PRO HG3 H 1 1.724 0.03 . 2 . . . . . . . . 6340 1 36 . 1 1 5 5 PRO CD C 13 50.138 0.3 . 1 . . . . . . . . 6340 1 37 . 1 1 5 5 PRO HD3 H 1 4.014 0.03 . 2 . . . . . . . . 6340 1 38 . 1 1 5 5 PRO HD2 H 1 3.630 0.03 . 2 . . . . . . . . 6340 1 39 . 1 1 5 5 PRO C C 13 172.920 0.3 . 1 . . . . . . . . 6340 1 40 . 1 1 6 6 GLU N N 15 116.933 0.3 . 1 . . . . . . . . 6340 1 41 . 1 1 6 6 GLU H H 1 8.142 0.03 . 1 . . . . . . . . 6340 1 42 . 1 1 6 6 GLU CA C 13 57.527 0.3 . 1 . . . . . . . . 6340 1 43 . 1 1 6 6 GLU HA H 1 4.646 0.03 . 1 . . . . . . . . 6340 1 44 . 1 1 6 6 GLU CB C 13 31.044 0.3 . 1 . . . . . . . . 6340 1 45 . 1 1 6 6 GLU HB3 H 1 1.961 0.03 . 2 . . . . . . . . 6340 1 46 . 1 1 6 6 GLU HB2 H 1 1.977 0.03 . 2 . . . . . . . . 6340 1 47 . 1 1 6 6 GLU CG C 13 37.814 0.3 . 1 . . . . . . . . 6340 1 48 . 1 1 6 6 GLU HG3 H 1 2.329 0.03 . 2 . . . . . . . . 6340 1 49 . 1 1 6 6 GLU HG2 H 1 2.160 0.03 . 2 . . . . . . . . 6340 1 50 . 1 1 6 6 GLU C C 13 175.455 0.3 . 1 . . . . . . . . 6340 1 51 . 1 1 7 7 VAL N N 15 124.930 0.3 . 1 . . . . . . . . 6340 1 52 . 1 1 7 7 VAL H H 1 8.893 0.03 . 1 . . . . . . . . 6340 1 53 . 1 1 7 7 VAL CA C 13 61.046 0.3 . 1 . . . . . . . . 6340 1 54 . 1 1 7 7 VAL HA H 1 4.671 0.03 . 1 . . . . . . . . 6340 1 55 . 1 1 7 7 VAL CB C 13 34.932 0.3 . 1 . . . . . . . . 6340 1 56 . 1 1 7 7 VAL HB H 1 1.640 0.03 . 1 . . . . . . . . 6340 1 57 . 1 1 7 7 VAL CG2 C 13 21.222 0.3 . 1 . . . . . . . . 6340 1 58 . 1 1 7 7 VAL HG21 H 1 0.502 0.03 . 2 . . . . . . . . 6340 1 59 . 1 1 7 7 VAL HG22 H 1 0.502 0.03 . 2 . . . . . . . . 6340 1 60 . 1 1 7 7 VAL HG23 H 1 0.502 0.03 . 2 . . . . . . . . 6340 1 61 . 1 1 7 7 VAL CG1 C 13 21.255 0.3 . 1 . . . . . . . . 6340 1 62 . 1 1 7 7 VAL HG11 H 1 0.130 0.03 . 2 . . . . . . . . 6340 1 63 . 1 1 7 7 VAL HG12 H 1 0.130 0.03 . 2 . . . . . . . . 6340 1 64 . 1 1 7 7 VAL HG13 H 1 0.130 0.03 . 2 . . . . . . . . 6340 1 65 . 1 1 7 7 VAL C C 13 173.641 0.3 . 1 . . . . . . . . 6340 1 66 . 1 1 8 8 LEU N N 15 125.232 0.3 . 1 . . . . . . . . 6340 1 67 . 1 1 8 8 LEU H H 1 9.291 0.03 . 1 . . . . . . . . 6340 1 68 . 1 1 8 8 LEU CA C 13 52.722 0.3 . 1 . . . . . . . . 6340 1 69 . 1 1 8 8 LEU HA H 1 5.704 0.03 . 1 . . . . . . . . 6340 1 70 . 1 1 8 8 LEU CB C 13 44.101 0.3 . 1 . . . . . . . . 6340 1 71 . 1 1 8 8 LEU HB3 H 1 1.122 0.03 . 2 . . . . . . . . 6340 1 72 . 1 1 8 8 LEU HB2 H 1 1.570 0.03 . 2 . . . . . . . . 6340 1 73 . 1 1 8 8 LEU CG C 13 27.935 0.3 . 1 . . . . . . . . 6340 1 74 . 1 1 8 8 LEU HG H 1 1.353 0.03 . 1 . . . . . . . . 6340 1 75 . 1 1 8 8 LEU CD1 C 13 24.414 0.3 . 1 . . . . . . . . 6340 1 76 . 1 1 8 8 LEU CD2 C 13 25.789 0.3 . 1 . . . . . . . . 6340 1 77 . 1 1 8 8 LEU HD21 H 1 0.774 0.03 . 2 . . . . . . . . 6340 1 78 . 1 1 8 8 LEU HD22 H 1 0.774 0.03 . 2 . . . . . . . . 6340 1 79 . 1 1 8 8 LEU HD23 H 1 0.774 0.03 . 2 . . . . . . . . 6340 1 80 . 1 1 8 8 LEU C C 13 178.008 0.3 . 1 . . . . . . . . 6340 1 81 . 1 1 9 9 TRP N N 15 124.025 0.3 . 1 . . . . . . . . 6340 1 82 . 1 1 9 9 TRP H H 1 9.233 0.03 . 1 . . . . . . . . 6340 1 83 . 1 1 9 9 TRP CA C 13 54.651 0.3 . 1 . . . . . . . . 6340 1 84 . 1 1 9 9 TRP HA H 1 6.380 0.03 . 1 . . . . . . . . 6340 1 85 . 1 1 9 9 TRP CB C 13 34.694 0.3 . 1 . . . . . . . . 6340 1 86 . 1 1 9 9 TRP HB3 H 1 3.547 0.03 . 2 . . . . . . . . 6340 1 87 . 1 1 9 9 TRP HB2 H 1 2.646 0.03 . 2 . . . . . . . . 6340 1 88 . 1 1 9 9 TRP HD1 H 1 6.971 0.03 . 1 . . . . . . . . 6340 1 89 . 1 1 9 9 TRP NE1 N 15 130.769 0.3 . 1 . . . . . . . . 6340 1 90 . 1 1 9 9 TRP HE1 H 1 10.543 0.03 . 4 . . . . . . . . 6340 1 91 . 1 1 9 9 TRP HZ2 H 1 7.499 0.03 . 4 . . . . . . . . 6340 1 92 . 1 1 9 9 TRP C C 13 173.300 0.3 . 1 . . . . . . . . 6340 1 93 . 1 1 10 10 ALA N N 15 120.263 0.3 . 1 . . . . . . . . 6340 1 94 . 1 1 10 10 ALA H H 1 9.014 0.03 . 1 . . . . . . . . 6340 1 95 . 1 1 10 10 ALA CA C 13 51.361 0.3 . 1 . . . . . . . . 6340 1 96 . 1 1 10 10 ALA HA H 1 4.050 0.03 . 1 . . . . . . . . 6340 1 97 . 1 1 10 10 ALA CB C 13 23.144 0.3 . 1 . . . . . . . . 6340 1 98 . 1 1 10 10 ALA HB1 H 1 1.410 0.03 . 1 . . . . . . . . 6340 1 99 . 1 1 10 10 ALA HB2 H 1 1.410 0.03 . 1 . . . . . . . . 6340 1 100 . 1 1 10 10 ALA HB3 H 1 1.410 0.03 . 1 . . . . . . . . 6340 1 101 . 1 1 10 10 ALA C C 13 174.733 0.3 . 1 . . . . . . . . 6340 1 102 . 1 1 11 11 GLN N N 15 113.335 0.3 . 1 . . . . . . . . 6340 1 103 . 1 1 11 11 GLN H H 1 8.409 0.03 . 1 . . . . . . . . 6340 1 104 . 1 1 11 11 GLN CA C 13 54.376 0.3 . 1 . . . . . . . . 6340 1 105 . 1 1 11 11 GLN HA H 1 4.645 0.03 . 1 . . . . . . . . 6340 1 106 . 1 1 11 11 GLN CB C 13 32.834 0.3 . 1 . . . . . . . . 6340 1 107 . 1 1 11 11 GLN HB3 H 1 1.951 0.03 . 2 . . . . . . . . 6340 1 108 . 1 1 11 11 GLN HB2 H 1 1.895 0.03 . 2 . . . . . . . . 6340 1 109 . 1 1 11 11 GLN CG C 13 36.414 0.3 . 1 . . . . . . . . 6340 1 110 . 1 1 11 11 GLN HG3 H 1 1.815 0.03 . 2 . . . . . . . . 6340 1 111 . 1 1 11 11 GLN HG2 H 1 1.660 0.03 . 2 . . . . . . . . 6340 1 112 . 1 1 11 11 GLN NE2 N 15 113.557 0.3 . 1 . . . . . . . . 6340 1 113 . 1 1 11 11 GLN HE21 H 1 7.644 0.03 . 2 . . . . . . . . 6340 1 114 . 1 1 11 11 GLN HE22 H 1 6.930 0.03 . 2 . . . . . . . . 6340 1 115 . 1 1 11 11 GLN C C 13 174.385 0.3 . 1 . . . . . . . . 6340 1 116 . 1 1 12 12 ARG N N 15 119.800 0.3 . 1 . . . . . . . . 6340 1 117 . 1 1 12 12 ARG H H 1 8.741 0.03 . 1 . . . . . . . . 6340 1 118 . 1 1 12 12 ARG CA C 13 53.506 0.3 . 1 . . . . . . . . 6340 1 119 . 1 1 12 12 ARG HA H 1 4.669 0.03 . 1 . . . . . . . . 6340 1 120 . 1 1 12 12 ARG CB C 13 33.553 0.3 . 1 . . . . . . . . 6340 1 121 . 1 1 12 12 ARG HB3 H 1 1.536 0.03 . 2 . . . . . . . . 6340 1 122 . 1 1 12 12 ARG HB2 H 1 2.388 0.03 . 2 . . . . . . . . 6340 1 123 . 1 1 12 12 ARG CG C 13 29.388 0.3 . 1 . . . . . . . . 6340 1 124 . 1 1 12 12 ARG HG3 H 1 1.624 0.03 . 2 . . . . . . . . 6340 1 125 . 1 1 12 12 ARG CD C 13 45.254 0.3 . 1 . . . . . . . . 6340 1 126 . 1 1 12 12 ARG HD3 H 1 2.955 0.03 . 2 . . . . . . . . 6340 1 127 . 1 1 12 12 ARG HD2 H 1 3.105 0.03 . 2 . . . . . . . . 6340 1 128 . 1 1 12 12 ARG C C 13 177.142 0.3 . 1 . . . . . . . . 6340 1 129 . 1 1 13 13 SER N N 15 122.333 0.3 . 1 . . . . . . . . 6340 1 130 . 1 1 13 13 SER H H 1 10.845 0.03 . 1 . . . . . . . . 6340 1 131 . 1 1 13 13 SER CA C 13 64.478 0.3 . 1 . . . . . . . . 6340 1 132 . 1 1 13 13 SER HA H 1 3.715 0.03 . 1 . . . . . . . . 6340 1 133 . 1 1 13 13 SER CB C 13 62.374 0.3 . 1 . . . . . . . . 6340 1 134 . 1 1 13 13 SER HB3 H 1 3.900 0.03 . 2 . . . . . . . . 6340 1 135 . 1 1 13 13 SER C C 13 172.861 0.3 . 1 . . . . . . . . 6340 1 136 . 1 1 14 14 ASP N N 15 110.634 0.3 . 1 . . . . . . . . 6340 1 137 . 1 1 14 14 ASP H H 1 8.491 0.03 . 1 . . . . . . . . 6340 1 138 . 1 1 14 14 ASP CA C 13 52.979 0.3 . 1 . . . . . . . . 6340 1 139 . 1 1 14 14 ASP HA H 1 4.599 0.03 . 1 . . . . . . . . 6340 1 140 . 1 1 14 14 ASP CB C 13 42.030 0.3 . 1 . . . . . . . . 6340 1 141 . 1 1 14 14 ASP HB3 H 1 2.863 0.03 . 2 . . . . . . . . 6340 1 142 . 1 1 14 14 ASP HB2 H 1 2.310 0.03 . 2 . . . . . . . . 6340 1 143 . 1 1 14 14 ASP C C 13 176.380 0.3 . 1 . . . . . . . . 6340 1 144 . 1 1 15 15 LYS N N 15 116.821 0.3 . 1 . . . . . . . . 6340 1 145 . 1 1 15 15 LYS H H 1 6.693 0.03 . 1 . . . . . . . . 6340 1 146 . 1 1 15 15 LYS CA C 13 55.420 0.3 . 1 . . . . . . . . 6340 1 147 . 1 1 15 15 LYS HA H 1 5.197 0.03 . 1 . . . . . . . . 6340 1 148 . 1 1 15 15 LYS CB C 13 37.268 0.3 . 1 . . . . . . . . 6340 1 149 . 1 1 15 15 LYS HB3 H 1 1.260 0.03 . 2 . . . . . . . . 6340 1 150 . 1 1 15 15 LYS HB2 H 1 0.970 0.03 . 2 . . . . . . . . 6340 1 151 . 1 1 15 15 LYS CG C 13 23.447 0.3 . 1 . . . . . . . . 6340 1 152 . 1 1 15 15 LYS HG3 H 1 1.012 0.03 . 2 . . . . . . . . 6340 1 153 . 1 1 15 15 LYS HG2 H 1 0.712 0.03 . 2 . . . . . . . . 6340 1 154 . 1 1 15 15 LYS CD C 13 29.297 0.3 . 1 . . . . . . . . 6340 1 155 . 1 1 15 15 LYS HD3 H 1 1.298 0.03 . 2 . . . . . . . . 6340 1 156 . 1 1 15 15 LYS HD2 H 1 1.194 0.03 . 2 . . . . . . . . 6340 1 157 . 1 1 15 15 LYS CE C 13 41.697 0.3 . 1 . . . . . . . . 6340 1 158 . 1 1 15 15 LYS HE3 H 1 2.735 0.03 . 2 . . . . . . . . 6340 1 159 . 1 1 15 15 LYS HE2 H 1 3.067 0.03 . 2 . . . . . . . . 6340 1 160 . 1 1 15 15 LYS C C 13 173.701 0.3 . 1 . . . . . . . . 6340 1 161 . 1 1 16 16 VAL N N 15 121.309 0.3 . 1 . . . . . . . . 6340 1 162 . 1 1 16 16 VAL H H 1 9.185 0.03 . 1 . . . . . . . . 6340 1 163 . 1 1 16 16 VAL CA C 13 61.514 0.3 . 1 . . . . . . . . 6340 1 164 . 1 1 16 16 VAL HA H 1 4.078 0.03 . 1 . . . . . . . . 6340 1 165 . 1 1 16 16 VAL CB C 13 35.363 0.3 . 1 . . . . . . . . 6340 1 166 . 1 1 16 16 VAL HB H 1 1.400 0.03 . 1 . . . . . . . . 6340 1 167 . 1 1 16 16 VAL CG2 C 13 21.887 0.3 . 1 . . . . . . . . 6340 1 168 . 1 1 16 16 VAL HG21 H 1 0.097 0.03 . 2 . . . . . . . . 6340 1 169 . 1 1 16 16 VAL HG22 H 1 0.097 0.03 . 2 . . . . . . . . 6340 1 170 . 1 1 16 16 VAL HG23 H 1 0.097 0.03 . 2 . . . . . . . . 6340 1 171 . 1 1 16 16 VAL CG1 C 13 20.840 0.3 . 1 . . . . . . . . 6340 1 172 . 1 1 16 16 VAL HG11 H 1 0.731 0.03 . 2 . . . . . . . . 6340 1 173 . 1 1 16 16 VAL HG12 H 1 0.731 0.03 . 2 . . . . . . . . 6340 1 174 . 1 1 16 16 VAL HG13 H 1 0.731 0.03 . 2 . . . . . . . . 6340 1 175 . 1 1 16 16 VAL C C 13 173.314 0.3 . 1 . . . . . . . . 6340 1 176 . 1 1 17 17 TYR N N 15 124.243 0.3 . 1 . . . . . . . . 6340 1 177 . 1 1 17 17 TYR H H 1 8.660 0.03 . 1 . . . . . . . . 6340 1 178 . 1 1 17 17 TYR CA C 13 56.309 0.3 . 1 . . . . . . . . 6340 1 179 . 1 1 17 17 TYR HA H 1 5.500 0.03 . 1 . . . . . . . . 6340 1 180 . 1 1 17 17 TYR CB C 13 41.154 0.3 . 1 . . . . . . . . 6340 1 181 . 1 1 17 17 TYR HB3 H 1 2.930 0.03 . 2 . . . . . . . . 6340 1 182 . 1 1 17 17 TYR HB2 H 1 2.360 0.03 . 2 . . . . . . . . 6340 1 183 . 1 1 17 17 TYR HD1 H 1 6.676 0.03 . 3 . . . . . . . . 6340 1 184 . 1 1 17 17 TYR HE1 H 1 6.508 0.03 . 3 . . . . . . . . 6340 1 185 . 1 1 17 17 TYR C C 13 175.467 0.3 . 1 . . . . . . . . 6340 1 186 . 1 1 18 18 LEU N N 15 120.693 0.3 . 1 . . . . . . . . 6340 1 187 . 1 1 18 18 LEU H H 1 8.750 0.03 . 1 . . . . . . . . 6340 1 188 . 1 1 18 18 LEU CA C 13 53.393 0.3 . 1 . . . . . . . . 6340 1 189 . 1 1 18 18 LEU HA H 1 5.201 0.03 . 1 . . . . . . . . 6340 1 190 . 1 1 18 18 LEU CB C 13 45.765 0.3 . 1 . . . . . . . . 6340 1 191 . 1 1 18 18 LEU HB3 H 1 1.615 0.03 . 2 . . . . . . . . 6340 1 192 . 1 1 18 18 LEU HB2 H 1 1.066 0.03 . 2 . . . . . . . . 6340 1 193 . 1 1 18 18 LEU CG C 13 26.641 0.3 . 1 . . . . . . . . 6340 1 194 . 1 1 18 18 LEU HG H 1 1.299 0.03 . 1 . . . . . . . . 6340 1 195 . 1 1 18 18 LEU CD1 C 13 24.167 0.3 . 1 . . . . . . . . 6340 1 196 . 1 1 18 18 LEU HD11 H 1 0.669 0.03 . 2 . . . . . . . . 6340 1 197 . 1 1 18 18 LEU HD12 H 1 0.669 0.03 . 2 . . . . . . . . 6340 1 198 . 1 1 18 18 LEU HD13 H 1 0.669 0.03 . 2 . . . . . . . . 6340 1 199 . 1 1 18 18 LEU CD2 C 13 26.069 0.3 . 1 . . . . . . . . 6340 1 200 . 1 1 18 18 LEU HD21 H 1 0.130 0.03 . 2 . . . . . . . . 6340 1 201 . 1 1 18 18 LEU HD22 H 1 0.130 0.03 . 2 . . . . . . . . 6340 1 202 . 1 1 18 18 LEU HD23 H 1 0.130 0.03 . 2 . . . . . . . . 6340 1 203 . 1 1 18 18 LEU C C 13 175.516 0.3 . 1 . . . . . . . . 6340 1 204 . 1 1 19 19 THR N N 15 122.507 0.3 . 1 . . . . . . . . 6340 1 205 . 1 1 19 19 THR H H 1 9.542 0.03 . 1 . . . . . . . . 6340 1 206 . 1 1 19 19 THR CA C 13 62.547 0.3 . 1 . . . . . . . . 6340 1 207 . 1 1 19 19 THR HA H 1 5.170 0.03 . 1 . . . . . . . . 6340 1 208 . 1 1 19 19 THR CB C 13 69.314 0.3 . 1 . . . . . . . . 6340 1 209 . 1 1 19 19 THR HB H 1 4.023 0.03 . 1 . . . . . . . . 6340 1 210 . 1 1 19 19 THR CG2 C 13 20.661 0.3 . 1 . . . . . . . . 6340 1 211 . 1 1 19 19 THR HG21 H 1 0.931 0.03 . 1 . . . . . . . . 6340 1 212 . 1 1 19 19 THR HG22 H 1 0.931 0.03 . 1 . . . . . . . . 6340 1 213 . 1 1 19 19 THR HG23 H 1 0.931 0.03 . 1 . . . . . . . . 6340 1 214 . 1 1 19 19 THR C C 13 173.566 0.3 . 1 . . . . . . . . 6340 1 215 . 1 1 20 20 VAL N N 15 127.242 0.3 . 1 . . . . . . . . 6340 1 216 . 1 1 20 20 VAL H H 1 9.689 0.03 . 1 . . . . . . . . 6340 1 217 . 1 1 20 20 VAL CA C 13 61.155 0.3 . 1 . . . . . . . . 6340 1 218 . 1 1 20 20 VAL HA H 1 4.517 0.03 . 1 . . . . . . . . 6340 1 219 . 1 1 20 20 VAL CB C 13 33.153 0.3 . 1 . . . . . . . . 6340 1 220 . 1 1 20 20 VAL HB H 1 2.040 0.03 . 1 . . . . . . . . 6340 1 221 . 1 1 20 20 VAL CG2 C 13 21.604 0.3 . 1 . . . . . . . . 6340 1 222 . 1 1 20 20 VAL HG21 H 1 0.506 0.03 . 2 . . . . . . . . 6340 1 223 . 1 1 20 20 VAL HG22 H 1 0.506 0.03 . 2 . . . . . . . . 6340 1 224 . 1 1 20 20 VAL HG23 H 1 0.506 0.03 . 2 . . . . . . . . 6340 1 225 . 1 1 20 20 VAL CG1 C 13 21.171 0.3 . 1 . . . . . . . . 6340 1 226 . 1 1 20 20 VAL HG11 H 1 0.826 0.03 . 2 . . . . . . . . 6340 1 227 . 1 1 20 20 VAL HG12 H 1 0.826 0.03 . 2 . . . . . . . . 6340 1 228 . 1 1 20 20 VAL HG13 H 1 0.826 0.03 . 2 . . . . . . . . 6340 1 229 . 1 1 20 20 VAL C C 13 176.093 0.3 . 1 . . . . . . . . 6340 1 230 . 1 1 21 21 ALA N N 15 134.403 0.3 . 1 . . . . . . . . 6340 1 231 . 1 1 21 21 ALA H H 1 8.816 0.03 . 1 . . . . . . . . 6340 1 232 . 1 1 21 21 ALA CA C 13 51.886 0.3 . 1 . . . . . . . . 6340 1 233 . 1 1 21 21 ALA HA H 1 4.583 0.03 . 1 . . . . . . . . 6340 1 234 . 1 1 21 21 ALA CB C 13 17.674 0.3 . 1 . . . . . . . . 6340 1 235 . 1 1 21 21 ALA HB1 H 1 1.340 0.03 . 1 . . . . . . . . 6340 1 236 . 1 1 21 21 ALA HB2 H 1 1.340 0.03 . 1 . . . . . . . . 6340 1 237 . 1 1 21 21 ALA HB3 H 1 1.340 0.03 . 1 . . . . . . . . 6340 1 238 . 1 1 21 21 ALA C C 13 174.974 0.3 . 1 . . . . . . . . 6340 1 239 . 1 1 22 22 LEU N N 15 125.685 0.3 . 1 . . . . . . . . 6340 1 240 . 1 1 22 22 LEU H H 1 7.595 0.03 . 1 . . . . . . . . 6340 1 241 . 1 1 22 22 LEU CA C 13 51.761 0.3 . 1 . . . . . . . . 6340 1 242 . 1 1 22 22 LEU HA H 1 4.576 0.03 . 1 . . . . . . . . 6340 1 243 . 1 1 22 22 LEU CB C 13 44.839 0.3 . 1 . . . . . . . . 6340 1 244 . 1 1 22 22 LEU HB3 H 1 0.805 0.03 . 2 . . . . . . . . 6340 1 245 . 1 1 22 22 LEU HB2 H 1 1.628 0.03 . 2 . . . . . . . . 6340 1 246 . 1 1 22 22 LEU CG C 13 27.236 0.3 . 1 . . . . . . . . 6340 1 247 . 1 1 22 22 LEU HG H 1 1.140 0.03 . 1 . . . . . . . . 6340 1 248 . 1 1 22 22 LEU CD1 C 13 26.323 0.3 . 1 . . . . . . . . 6340 1 249 . 1 1 22 22 LEU HD11 H 1 0.568 0.03 . 2 . . . . . . . . 6340 1 250 . 1 1 22 22 LEU HD12 H 1 0.568 0.03 . 2 . . . . . . . . 6340 1 251 . 1 1 22 22 LEU HD13 H 1 0.568 0.03 . 2 . . . . . . . . 6340 1 252 . 1 1 22 22 LEU CD2 C 13 23.888 0.3 . 1 . . . . . . . . 6340 1 253 . 1 1 22 22 LEU HD21 H 1 0.248 0.03 . 2 . . . . . . . . 6340 1 254 . 1 1 22 22 LEU HD22 H 1 0.248 0.03 . 2 . . . . . . . . 6340 1 255 . 1 1 22 22 LEU HD23 H 1 0.248 0.03 . 2 . . . . . . . . 6340 1 256 . 1 1 23 23 PRO CA C 13 62.312 0.3 . 1 . . . . . . . . 6340 1 257 . 1 1 23 23 PRO HA H 1 4.274 0.03 . 1 . . . . . . . . 6340 1 258 . 1 1 23 23 PRO CB C 13 33.053 0.3 . 1 . . . . . . . . 6340 1 259 . 1 1 23 23 PRO HB3 H 1 2.255 0.03 . 2 . . . . . . . . 6340 1 260 . 1 1 23 23 PRO HB2 H 1 1.920 0.03 . 2 . . . . . . . . 6340 1 261 . 1 1 23 23 PRO CG C 13 27.243 0.3 . 1 . . . . . . . . 6340 1 262 . 1 1 23 23 PRO HG3 H 1 2.031 0.03 . 2 . . . . . . . . 6340 1 263 . 1 1 23 23 PRO HG2 H 1 1.923 0.03 . 2 . . . . . . . . 6340 1 264 . 1 1 23 23 PRO CD C 13 51.076 0.3 . 1 . . . . . . . . 6340 1 265 . 1 1 23 23 PRO HD3 H 1 3.736 0.03 . 2 . . . . . . . . 6340 1 266 . 1 1 23 23 PRO HD2 H 1 3.863 0.03 . 2 . . . . . . . . 6340 1 267 . 1 1 23 23 PRO C C 13 175.812 0.3 . 1 . . . . . . . . 6340 1 268 . 1 1 24 24 ASP N N 15 118.354 0.3 . 1 . . . . . . . . 6340 1 269 . 1 1 24 24 ASP H H 1 8.113 0.03 . 1 . . . . . . . . 6340 1 270 . 1 1 24 24 ASP CA C 13 54.990 0.3 . 1 . . . . . . . . 6340 1 271 . 1 1 24 24 ASP HA H 1 4.529 0.03 . 1 . . . . . . . . 6340 1 272 . 1 1 24 24 ASP CB C 13 40.464 0.3 . 1 . . . . . . . . 6340 1 273 . 1 1 24 24 ASP HB3 H 1 2.850 0.03 . 2 . . . . . . . . 6340 1 274 . 1 1 24 24 ASP HB2 H 1 2.460 0.03 . 2 . . . . . . . . 6340 1 275 . 1 1 24 24 ASP C C 13 174.468 0.3 . 1 . . . . . . . . 6340 1 276 . 1 1 25 25 ALA N N 15 118.984 0.3 . 1 . . . . . . . . 6340 1 277 . 1 1 25 25 ALA H H 1 8.119 0.03 . 1 . . . . . . . . 6340 1 278 . 1 1 25 25 ALA CA C 13 53.059 0.3 . 1 . . . . . . . . 6340 1 279 . 1 1 25 25 ALA HA H 1 4.410 0.03 . 1 . . . . . . . . 6340 1 280 . 1 1 25 25 ALA CB C 13 20.861 0.3 . 1 . . . . . . . . 6340 1 281 . 1 1 25 25 ALA HB1 H 1 1.256 0.03 . 1 . . . . . . . . 6340 1 282 . 1 1 25 25 ALA HB2 H 1 1.256 0.03 . 1 . . . . . . . . 6340 1 283 . 1 1 25 25 ALA HB3 H 1 1.256 0.03 . 1 . . . . . . . . 6340 1 284 . 1 1 25 25 ALA C C 13 178.287 0.3 . 1 . . . . . . . . 6340 1 285 . 1 1 26 26 LYS N N 15 119.881 0.3 . 1 . . . . . . . . 6340 1 286 . 1 1 26 26 LYS H H 1 8.924 0.03 . 1 . . . . . . . . 6340 1 287 . 1 1 26 26 LYS CA C 13 54.425 0.3 . 1 . . . . . . . . 6340 1 288 . 1 1 26 26 LYS HA H 1 4.645 0.03 . 1 . . . . . . . . 6340 1 289 . 1 1 26 26 LYS CB C 13 36.208 0.3 . 1 . . . . . . . . 6340 1 290 . 1 1 26 26 LYS HB3 H 1 1.815 0.03 . 2 . . . . . . . . 6340 1 291 . 1 1 26 26 LYS HB2 H 1 1.660 0.03 . 2 . . . . . . . . 6340 1 292 . 1 1 26 26 LYS CG C 13 24.377 0.3 . 1 . . . . . . . . 6340 1 293 . 1 1 26 26 LYS HG3 H 1 1.374 0.03 . 1 . . . . . . . . 6340 1 294 . 1 1 26 26 LYS HG2 H 1 1.374 0.03 . 1 . . . . . . . . 6340 1 295 . 1 1 26 26 LYS CD C 13 29.061 0.3 . 1 . . . . . . . . 6340 1 296 . 1 1 26 26 LYS HD3 H 1 1.641 0.03 . 2 . . . . . . . . 6340 1 297 . 1 1 26 26 LYS HD2 H 1 1.586 0.03 . 2 . . . . . . . . 6340 1 298 . 1 1 26 26 LYS CE C 13 42.441 0.3 . 1 . . . . . . . . 6340 1 299 . 1 1 26 26 LYS HE3 H 1 2.912 0.03 . 2 . . . . . . . . 6340 1 300 . 1 1 26 26 LYS C C 13 174.385 0.3 . 1 . . . . . . . . 6340 1 301 . 1 1 27 27 ASP N N 15 120.103 0.3 . 1 . . . . . . . . 6340 1 302 . 1 1 27 27 ASP H H 1 8.717 0.03 . 1 . . . . . . . . 6340 1 303 . 1 1 27 27 ASP CA C 13 54.960 0.3 . 1 . . . . . . . . 6340 1 304 . 1 1 27 27 ASP HA H 1 4.145 0.03 . 1 . . . . . . . . 6340 1 305 . 1 1 27 27 ASP CB C 13 39.646 0.3 . 1 . . . . . . . . 6340 1 306 . 1 1 27 27 ASP HB3 H 1 2.820 0.03 . 2 . . . . . . . . 6340 1 307 . 1 1 27 27 ASP HB2 H 1 2.430 0.03 . 2 . . . . . . . . 6340 1 308 . 1 1 27 27 ASP C C 13 174.714 0.3 . 1 . . . . . . . . 6340 1 309 . 1 1 28 28 ILE N N 15 117.838 0.3 . 1 . . . . . . . . 6340 1 310 . 1 1 28 28 ILE H H 1 8.131 0.03 . 1 . . . . . . . . 6340 1 311 . 1 1 28 28 ILE CA C 13 62.545 0.3 . 1 . . . . . . . . 6340 1 312 . 1 1 28 28 ILE HA H 1 4.008 0.03 . 1 . . . . . . . . 6340 1 313 . 1 1 28 28 ILE CB C 13 39.048 0.3 . 1 . . . . . . . . 6340 1 314 . 1 1 28 28 ILE HB H 1 1.702 0.03 . 1 . . . . . . . . 6340 1 315 . 1 1 28 28 ILE CG1 C 13 29.162 0.3 . 2 . . . . . . . . 6340 1 316 . 1 1 28 28 ILE HG13 H 1 1.452 0.03 . 1 . . . . . . . . 6340 1 317 . 1 1 28 28 ILE HG12 H 1 0.812 0.03 . 1 . . . . . . . . 6340 1 318 . 1 1 28 28 ILE CD1 C 13 15.791 0.3 . 1 . . . . . . . . 6340 1 319 . 1 1 28 28 ILE HD11 H 1 0.934 0.03 . 1 . . . . . . . . 6340 1 320 . 1 1 28 28 ILE HD12 H 1 0.934 0.03 . 1 . . . . . . . . 6340 1 321 . 1 1 28 28 ILE HD13 H 1 0.934 0.03 . 1 . . . . . . . . 6340 1 322 . 1 1 28 28 ILE CG2 C 13 18.203 0.3 . 1 . . . . . . . . 6340 1 323 . 1 1 28 28 ILE HG21 H 1 0.841 0.03 . 1 . . . . . . . . 6340 1 324 . 1 1 28 28 ILE HG22 H 1 0.841 0.03 . 1 . . . . . . . . 6340 1 325 . 1 1 28 28 ILE HG23 H 1 0.841 0.03 . 1 . . . . . . . . 6340 1 326 . 1 1 28 28 ILE C C 13 177.229 0.3 . 1 . . . . . . . . 6340 1 327 . 1 1 29 29 SER N N 15 125.524 0.3 . 1 . . . . . . . . 6340 1 328 . 1 1 29 29 SER H H 1 9.140 0.03 . 1 . . . . . . . . 6340 1 329 . 1 1 29 29 SER CA C 13 57.293 0.3 . 1 . . . . . . . . 6340 1 330 . 1 1 29 29 SER HA H 1 4.688 0.03 . 1 . . . . . . . . 6340 1 331 . 1 1 29 29 SER CB C 13 64.512 0.3 . 1 . . . . . . . . 6340 1 332 . 1 1 29 29 SER HB3 H 1 3.583 0.03 . 2 . . . . . . . . 6340 1 333 . 1 1 29 29 SER HB2 H 1 3.511 0.03 . 2 . . . . . . . . 6340 1 334 . 1 1 29 29 SER C C 13 173.048 0.3 . 1 . . . . . . . . 6340 1 335 . 1 1 30 30 VAL N N 15 126.891 0.3 . 1 . . . . . . . . 6340 1 336 . 1 1 30 30 VAL H H 1 8.373 0.03 . 1 . . . . . . . . 6340 1 337 . 1 1 30 30 VAL CA C 13 59.908 0.3 . 1 . . . . . . . . 6340 1 338 . 1 1 30 30 VAL HA H 1 4.690 0.03 . 1 . . . . . . . . 6340 1 339 . 1 1 30 30 VAL CB C 13 36.628 0.3 . 1 . . . . . . . . 6340 1 340 . 1 1 30 30 VAL HB H 1 1.695 0.03 . 1 . . . . . . . . 6340 1 341 . 1 1 30 30 VAL CG2 C 13 22.629 0.3 . 1 . . . . . . . . 6340 1 342 . 1 1 30 30 VAL HG21 H 1 0.720 0.03 . 2 . . . . . . . . 6340 1 343 . 1 1 30 30 VAL HG22 H 1 0.720 0.03 . 2 . . . . . . . . 6340 1 344 . 1 1 30 30 VAL HG23 H 1 0.720 0.03 . 2 . . . . . . . . 6340 1 345 . 1 1 30 30 VAL CG1 C 13 22.633 0.3 . 1 . . . . . . . . 6340 1 346 . 1 1 30 30 VAL HG11 H 1 -0.078 0.03 . 2 . . . . . . . . 6340 1 347 . 1 1 30 30 VAL HG12 H 1 -0.078 0.03 . 2 . . . . . . . . 6340 1 348 . 1 1 30 30 VAL HG13 H 1 -0.078 0.03 . 2 . . . . . . . . 6340 1 349 . 1 1 30 30 VAL C C 13 175.420 0.3 . 1 . . . . . . . . 6340 1 350 . 1 1 31 31 LYS N N 15 127.029 0.3 . 1 . . . . . . . . 6340 1 351 . 1 1 31 31 LYS H H 1 8.148 0.03 . 1 . . . . . . . . 6340 1 352 . 1 1 31 31 LYS CA C 13 55.319 0.3 . 1 . . . . . . . . 6340 1 353 . 1 1 31 31 LYS HA H 1 4.507 0.03 . 1 . . . . . . . . 6340 1 354 . 1 1 31 31 LYS CB C 13 35.137 0.3 . 1 . . . . . . . . 6340 1 355 . 1 1 31 31 LYS HB3 H 1 1.600 0.03 . 2 . . . . . . . . 6340 1 356 . 1 1 31 31 LYS HB2 H 1 1.495 0.03 . 2 . . . . . . . . 6340 1 357 . 1 1 31 31 LYS CG C 13 24.791 0.3 . 1 . . . . . . . . 6340 1 358 . 1 1 31 31 LYS HG3 H 1 1.210 0.03 . 2 . . . . . . . . 6340 1 359 . 1 1 31 31 LYS HG2 H 1 1.193 0.03 . 2 . . . . . . . . 6340 1 360 . 1 1 31 31 LYS CD C 13 29.158 0.3 . 1 . . . . . . . . 6340 1 361 . 1 1 31 31 LYS HD3 H 1 1.550 0.03 . 2 . . . . . . . . 6340 1 362 . 1 1 31 31 LYS HD2 H 1 1.551 0.03 . 2 . . . . . . . . 6340 1 363 . 1 1 31 31 LYS CE C 13 42.173 0.3 . 1 . . . . . . . . 6340 1 364 . 1 1 31 31 LYS HE3 H 1 2.831 0.03 . 2 . . . . . . . . 6340 1 365 . 1 1 31 31 LYS HE2 H 1 2.828 0.03 . 2 . . . . . . . . 6340 1 366 . 1 1 31 31 LYS C C 13 173.874 0.3 . 1 . . . . . . . . 6340 1 367 . 1 1 32 32 CYS N N 15 125.723 0.3 . 1 . . . . . . . . 6340 1 368 . 1 1 32 32 CYS H H 1 8.782 0.03 . 1 . . . . . . . . 6340 1 369 . 1 1 32 32 CYS CA C 13 57.696 0.3 . 1 . . . . . . . . 6340 1 370 . 1 1 32 32 CYS HA H 1 5.169 0.03 . 1 . . . . . . . . 6340 1 371 . 1 1 32 32 CYS CB C 13 29.158 0.3 . 1 . . . . . . . . 6340 1 372 . 1 1 32 32 CYS HB3 H 1 3.030 0.03 . 2 . . . . . . . . 6340 1 373 . 1 1 32 32 CYS HB2 H 1 2.500 0.03 . 2 . . . . . . . . 6340 1 374 . 1 1 32 32 CYS C C 13 173.435 0.3 . 1 . . . . . . . . 6340 1 375 . 1 1 33 33 GLU N N 15 124.192 0.3 . 1 . . . . . . . . 6340 1 376 . 1 1 33 33 GLU H H 1 9.028 0.03 . 1 . . . . . . . . 6340 1 377 . 1 1 33 33 GLU CA C 13 53.628 0.3 . 1 . . . . . . . . 6340 1 378 . 1 1 33 33 GLU HA H 1 4.995 0.03 . 1 . . . . . . . . 6340 1 379 . 1 1 33 33 GLU CB C 13 31.067 0.3 . 1 . . . . . . . . 6340 1 380 . 1 1 33 33 GLU HB3 H 1 2.503 0.03 . 2 . . . . . . . . 6340 1 381 . 1 1 33 33 GLU HB2 H 1 1.783 0.03 . 2 . . . . . . . . 6340 1 382 . 1 1 33 33 GLU CG C 13 36.278 0.3 . 1 . . . . . . . . 6340 1 383 . 1 1 33 33 GLU HG3 H 1 2.164 0.03 . 1 . . . . . . . . 6340 1 384 . 1 1 33 33 GLU HG2 H 1 2.164 0.03 . 1 . . . . . . . . 6340 1 385 . 1 1 34 34 PRO CA C 13 64.891 0.3 . 1 . . . . . . . . 6340 1 386 . 1 1 34 34 PRO HA H 1 4.708 0.03 . 1 . . . . . . . . 6340 1 387 . 1 1 34 34 PRO CB C 13 33.012 0.3 . 1 . . . . . . . . 6340 1 388 . 1 1 34 34 PRO HB3 H 1 2.490 0.03 . 2 . . . . . . . . 6340 1 389 . 1 1 34 34 PRO HB2 H 1 2.145 0.03 . 2 . . . . . . . . 6340 1 390 . 1 1 34 34 PRO CG C 13 27.626 0.3 . 1 . . . . . . . . 6340 1 391 . 1 1 34 34 PRO HG3 H 1 2.458 0.03 . 2 . . . . . . . . 6340 1 392 . 1 1 34 34 PRO HG2 H 1 2.145 0.03 . 2 . . . . . . . . 6340 1 393 . 1 1 34 34 PRO CD C 13 51.499 0.3 . 1 . . . . . . . . 6340 1 394 . 1 1 34 34 PRO HD3 H 1 3.850 0.03 . 2 . . . . . . . . 6340 1 395 . 1 1 34 34 PRO C C 13 176.875 0.3 . 1 . . . . . . . . 6340 1 396 . 1 1 35 35 GLN N N 15 115.362 0.3 . 1 . . . . . . . . 6340 1 397 . 1 1 35 35 GLN H H 1 8.983 0.03 . 1 . . . . . . . . 6340 1 398 . 1 1 35 35 GLN CA C 13 57.789 0.3 . 1 . . . . . . . . 6340 1 399 . 1 1 35 35 GLN HA H 1 4.160 0.03 . 1 . . . . . . . . 6340 1 400 . 1 1 35 35 GLN CB C 13 27.056 0.3 . 1 . . . . . . . . 6340 1 401 . 1 1 35 35 GLN HB3 H 1 2.075 0.03 . 2 . . . . . . . . 6340 1 402 . 1 1 35 35 GLN HB2 H 1 1.925 0.03 . 2 . . . . . . . . 6340 1 403 . 1 1 35 35 GLN CG C 13 33.129 0.3 . 1 . . . . . . . . 6340 1 404 . 1 1 35 35 GLN HG3 H 1 2.490 0.03 . 2 . . . . . . . . 6340 1 405 . 1 1 35 35 GLN HG2 H 1 2.121 0.03 . 2 . . . . . . . . 6340 1 406 . 1 1 35 35 GLN NE2 N 15 113.013 0.3 . 1 . . . . . . . . 6340 1 407 . 1 1 35 35 GLN HE21 H 1 7.680 0.03 . 2 . . . . . . . . 6340 1 408 . 1 1 35 35 GLN HE22 H 1 7.381 0.03 . 2 . . . . . . . . 6340 1 409 . 1 1 35 35 GLN C C 13 175.331 0.3 . 1 . . . . . . . . 6340 1 410 . 1 1 36 36 GLY N N 15 107.524 0.3 . 1 . . . . . . . . 6340 1 411 . 1 1 36 36 GLY H H 1 8.574 0.03 . 1 . . . . . . . . 6340 1 412 . 1 1 36 36 GLY CA C 13 45.737 0.3 . 1 . . . . . . . . 6340 1 413 . 1 1 36 36 GLY HA3 H 1 4.410 0.03 . 2 . . . . . . . . 6340 1 414 . 1 1 36 36 GLY HA2 H 1 3.540 0.03 . 2 . . . . . . . . 6340 1 415 . 1 1 36 36 GLY C C 13 172.218 0.3 . 1 . . . . . . . . 6340 1 416 . 1 1 37 37 LEU N N 15 123.000 0.3 . 1 . . . . . . . . 6340 1 417 . 1 1 37 37 LEU H H 1 7.214 0.03 . 1 . . . . . . . . 6340 1 418 . 1 1 37 37 LEU CA C 13 54.535 0.3 . 1 . . . . . . . . 6340 1 419 . 1 1 37 37 LEU HA H 1 5.204 0.03 . 1 . . . . . . . . 6340 1 420 . 1 1 37 37 LEU CB C 13 44.488 0.3 . 1 . . . . . . . . 6340 1 421 . 1 1 37 37 LEU HB3 H 1 1.580 0.03 . 2 . . . . . . . . 6340 1 422 . 1 1 37 37 LEU HB2 H 1 1.412 0.03 . 2 . . . . . . . . 6340 1 423 . 1 1 37 37 LEU CG C 13 27.794 0.3 . 1 . . . . . . . . 6340 1 424 . 1 1 37 37 LEU HG H 1 1.365 0.03 . 1 . . . . . . . . 6340 1 425 . 1 1 37 37 LEU CD1 C 13 25.001 0.3 . 1 . . . . . . . . 6340 1 426 . 1 1 37 37 LEU HD11 H 1 0.720 0.03 . 2 . . . . . . . . 6340 1 427 . 1 1 37 37 LEU HD12 H 1 0.720 0.03 . 2 . . . . . . . . 6340 1 428 . 1 1 37 37 LEU HD13 H 1 0.720 0.03 . 2 . . . . . . . . 6340 1 429 . 1 1 37 37 LEU CD2 C 13 24.219 0.3 . 1 . . . . . . . . 6340 1 430 . 1 1 37 37 LEU HD21 H 1 0.742 0.03 . 2 . . . . . . . . 6340 1 431 . 1 1 37 37 LEU HD22 H 1 0.742 0.03 . 2 . . . . . . . . 6340 1 432 . 1 1 37 37 LEU HD23 H 1 0.742 0.03 . 2 . . . . . . . . 6340 1 433 . 1 1 37 37 LEU C C 13 174.364 0.3 . 1 . . . . . . . . 6340 1 434 . 1 1 38 38 PHE N N 15 127.058 0.3 . 1 . . . . . . . . 6340 1 435 . 1 1 38 38 PHE H H 1 8.855 0.03 . 1 . . . . . . . . 6340 1 436 . 1 1 38 38 PHE CA C 13 57.295 0.3 . 1 . . . . . . . . 6340 1 437 . 1 1 38 38 PHE HA H 1 5.158 0.03 . 1 . . . . . . . . 6340 1 438 . 1 1 38 38 PHE CB C 13 43.118 0.3 . 1 . . . . . . . . 6340 1 439 . 1 1 38 38 PHE HB3 H 1 2.920 0.03 . 2 . . . . . . . . 6340 1 440 . 1 1 38 38 PHE HB2 H 1 2.558 0.03 . 2 . . . . . . . . 6340 1 441 . 1 1 38 38 PHE HD1 H 1 6.838 0.03 . 3 . . . . . . . . 6340 1 442 . 1 1 38 38 PHE C C 13 174.805 0.3 . 1 . . . . . . . . 6340 1 443 . 1 1 39 39 SER N N 15 122.667 0.3 . 1 . . . . . . . . 6340 1 444 . 1 1 39 39 SER H H 1 8.537 0.03 . 1 . . . . . . . . 6340 1 445 . 1 1 39 39 SER CA C 13 56.851 0.3 . 1 . . . . . . . . 6340 1 446 . 1 1 39 39 SER HA H 1 4.956 0.03 . 1 . . . . . . . . 6340 1 447 . 1 1 39 39 SER CB C 13 65.304 0.3 . 1 . . . . . . . . 6340 1 448 . 1 1 39 39 SER HB3 H 1 3.615 0.03 . 2 . . . . . . . . 6340 1 449 . 1 1 39 39 SER HB2 H 1 3.569 0.03 . 2 . . . . . . . . 6340 1 450 . 1 1 39 39 SER C C 13 170.917 0.3 . 1 . . . . . . . . 6340 1 451 . 1 1 40 40 PHE N N 15 124.529 0.3 . 1 . . . . . . . . 6340 1 452 . 1 1 40 40 PHE H H 1 8.331 0.03 . 1 . . . . . . . . 6340 1 453 . 1 1 40 40 PHE CA C 13 56.449 0.3 . 1 . . . . . . . . 6340 1 454 . 1 1 40 40 PHE HA H 1 4.748 0.03 . 1 . . . . . . . . 6340 1 455 . 1 1 40 40 PHE CB C 13 44.257 0.3 . 1 . . . . . . . . 6340 1 456 . 1 1 40 40 PHE HB3 H 1 1.962 0.03 . 2 . . . . . . . . 6340 1 457 . 1 1 40 40 PHE HB2 H 1 1.346 0.03 . 2 . . . . . . . . 6340 1 458 . 1 1 40 40 PHE C C 13 173.909 0.3 . 1 . . . . . . . . 6340 1 459 . 1 1 41 41 SER N N 15 123.120 0.3 . 1 . . . . . . . . 6340 1 460 . 1 1 41 41 SER H H 1 7.871 0.03 . 1 . . . . . . . . 6340 1 461 . 1 1 41 41 SER CA C 13 56.916 0.3 . 1 . . . . . . . . 6340 1 462 . 1 1 41 41 SER HA H 1 5.126 0.03 . 1 . . . . . . . . 6340 1 463 . 1 1 41 41 SER CB C 13 65.438 0.3 . 1 . . . . . . . . 6340 1 464 . 1 1 41 41 SER HB3 H 1 3.572 0.03 . 2 . . . . . . . . 6340 1 465 . 1 1 41 41 SER HB2 H 1 3.681 0.03 . 2 . . . . . . . . 6340 1 466 . 1 1 41 41 SER C C 13 171.828 0.3 . 1 . . . . . . . . 6340 1 467 . 1 1 42 42 ALA N N 15 122.818 0.3 . 1 . . . . . . . . 6340 1 468 . 1 1 42 42 ALA H H 1 8.755 0.03 . 1 . . . . . . . . 6340 1 469 . 1 1 42 42 ALA CA C 13 51.875 0.3 . 1 . . . . . . . . 6340 1 470 . 1 1 42 42 ALA HA H 1 4.559 0.03 . 1 . . . . . . . . 6340 1 471 . 1 1 42 42 ALA CB C 13 24.835 0.3 . 1 . . . . . . . . 6340 1 472 . 1 1 42 42 ALA HB1 H 1 1.200 0.03 . 1 . . . . . . . . 6340 1 473 . 1 1 42 42 ALA HB2 H 1 1.200 0.03 . 1 . . . . . . . . 6340 1 474 . 1 1 42 42 ALA HB3 H 1 1.200 0.03 . 1 . . . . . . . . 6340 1 475 . 1 1 42 42 ALA C C 13 174.949 0.3 . 1 . . . . . . . . 6340 1 476 . 1 1 43 43 LEU N N 15 119.498 0.3 . 1 . . . . . . . . 6340 1 477 . 1 1 43 43 LEU H H 1 8.763 0.03 . 1 . . . . . . . . 6340 1 478 . 1 1 43 43 LEU CA C 13 53.705 0.3 . 1 . . . . . . . . 6340 1 479 . 1 1 43 43 LEU HA H 1 5.285 0.03 . 1 . . . . . . . . 6340 1 480 . 1 1 43 43 LEU CB C 13 45.121 0.3 . 1 . . . . . . . . 6340 1 481 . 1 1 43 43 LEU HB3 H 1 1.560 0.03 . 2 . . . . . . . . 6340 1 482 . 1 1 43 43 LEU HB2 H 1 1.390 0.03 . 2 . . . . . . . . 6340 1 483 . 1 1 43 43 LEU CG C 13 27.317 0.3 . 1 . . . . . . . . 6340 1 484 . 1 1 43 43 LEU HG H 1 1.618 0.03 . 1 . . . . . . . . 6340 1 485 . 1 1 43 43 LEU CD1 C 13 25.402 0.3 . 1 . . . . . . . . 6340 1 486 . 1 1 43 43 LEU HD11 H 1 0.826 0.03 . 2 . . . . . . . . 6340 1 487 . 1 1 43 43 LEU HD12 H 1 0.826 0.03 . 2 . . . . . . . . 6340 1 488 . 1 1 43 43 LEU HD13 H 1 0.826 0.03 . 2 . . . . . . . . 6340 1 489 . 1 1 43 43 LEU CD2 C 13 23.848 0.3 . 1 . . . . . . . . 6340 1 490 . 1 1 43 43 LEU HD21 H 1 0.732 0.03 . 2 . . . . . . . . 6340 1 491 . 1 1 43 43 LEU HD22 H 1 0.732 0.03 . 2 . . . . . . . . 6340 1 492 . 1 1 43 43 LEU HD23 H 1 0.732 0.03 . 2 . . . . . . . . 6340 1 493 . 1 1 43 43 LEU C C 13 177.536 0.3 . 1 . . . . . . . . 6340 1 494 . 1 1 44 44 GLY N N 15 107.551 0.3 . 1 . . . . . . . . 6340 1 495 . 1 1 44 44 GLY H H 1 8.994 0.03 . 1 . . . . . . . . 6340 1 496 . 1 1 44 44 GLY CA C 13 43.815 0.3 . 1 . . . . . . . . 6340 1 497 . 1 1 44 44 GLY HA3 H 1 4.590 0.03 . 2 . . . . . . . . 6340 1 498 . 1 1 44 44 GLY HA2 H 1 3.825 0.03 . 2 . . . . . . . . 6340 1 499 . 1 1 44 44 GLY C C 13 175.107 0.3 . 1 . . . . . . . . 6340 1 500 . 1 1 45 45 ALA N N 15 123.723 0.3 . 1 . . . . . . . . 6340 1 501 . 1 1 45 45 ALA H H 1 8.829 0.03 . 1 . . . . . . . . 6340 1 502 . 1 1 45 45 ALA CA C 13 54.360 0.3 . 1 . . . . . . . . 6340 1 503 . 1 1 45 45 ALA HA H 1 4.170 0.03 . 1 . . . . . . . . 6340 1 504 . 1 1 45 45 ALA CB C 13 19.122 0.3 . 1 . . . . . . . . 6340 1 505 . 1 1 45 45 ALA HB1 H 1 1.491 0.03 . 1 . . . . . . . . 6340 1 506 . 1 1 45 45 ALA HB2 H 1 1.491 0.03 . 1 . . . . . . . . 6340 1 507 . 1 1 45 45 ALA HB3 H 1 1.491 0.03 . 1 . . . . . . . . 6340 1 508 . 1 1 45 45 ALA C C 13 179.098 0.3 . 1 . . . . . . . . 6340 1 509 . 1 1 46 46 GLN N N 15 114.830 0.3 . 1 . . . . . . . . 6340 1 510 . 1 1 46 46 GLN H H 1 8.865 0.03 . 1 . . . . . . . . 6340 1 511 . 1 1 46 46 GLN CA C 13 56.056 0.3 . 1 . . . . . . . . 6340 1 512 . 1 1 46 46 GLN HA H 1 4.280 0.03 . 1 . . . . . . . . 6340 1 513 . 1 1 46 46 GLN CB C 13 27.750 0.3 . 1 . . . . . . . . 6340 1 514 . 1 1 46 46 GLN HB3 H 1 2.351 0.03 . 2 . . . . . . . . 6340 1 515 . 1 1 46 46 GLN HB2 H 1 2.200 0.03 . 2 . . . . . . . . 6340 1 516 . 1 1 46 46 GLN CG C 13 34.801 0.3 . 1 . . . . . . . . 6340 1 517 . 1 1 46 46 GLN HG3 H 1 2.362 0.03 . 2 . . . . . . . . 6340 1 518 . 1 1 46 46 GLN HG2 H 1 2.345 0.03 . 2 . . . . . . . . 6340 1 519 . 1 1 46 46 GLN NE2 N 15 112.404 0.3 . 1 . . . . . . . . 6340 1 520 . 1 1 46 46 GLN HE21 H 1 7.611 0.03 . 2 . . . . . . . . 6340 1 521 . 1 1 46 46 GLN HE22 H 1 6.859 0.03 . 2 . . . . . . . . 6340 1 522 . 1 1 46 46 GLN C C 13 176.386 0.3 . 1 . . . . . . . . 6340 1 523 . 1 1 47 47 GLY N N 15 107.007 0.3 . 1 . . . . . . . . 6340 1 524 . 1 1 47 47 GLY H H 1 8.244 0.03 . 1 . . . . . . . . 6340 1 525 . 1 1 47 47 GLY CA C 13 46.177 0.3 . 1 . . . . . . . . 6340 1 526 . 1 1 47 47 GLY HA3 H 1 4.125 0.03 . 2 . . . . . . . . 6340 1 527 . 1 1 47 47 GLY HA2 H 1 3.574 0.03 . 2 . . . . . . . . 6340 1 528 . 1 1 47 47 GLY C C 13 173.732 0.3 . 1 . . . . . . . . 6340 1 529 . 1 1 48 48 GLU N N 15 121.460 0.3 . 1 . . . . . . . . 6340 1 530 . 1 1 48 48 GLU H H 1 7.940 0.03 . 1 . . . . . . . . 6340 1 531 . 1 1 48 48 GLU CA C 13 56.357 0.3 . 1 . . . . . . . . 6340 1 532 . 1 1 48 48 GLU HA H 1 4.120 0.03 . 1 . . . . . . . . 6340 1 533 . 1 1 48 48 GLU CB C 13 30.569 0.3 . 1 . . . . . . . . 6340 1 534 . 1 1 48 48 GLU HB3 H 1 1.877 0.03 . 2 . . . . . . . . 6340 1 535 . 1 1 48 48 GLU HB2 H 1 1.745 0.03 . 2 . . . . . . . . 6340 1 536 . 1 1 48 48 GLU CG C 13 36.560 0.3 . 1 . . . . . . . . 6340 1 537 . 1 1 48 48 GLU HG3 H 1 2.137 0.03 . 2 . . . . . . . . 6340 1 538 . 1 1 48 48 GLU HG2 H 1 1.901 0.03 . 2 . . . . . . . . 6340 1 539 . 1 1 48 48 GLU C C 13 174.453 0.3 . 1 . . . . . . . . 6340 1 540 . 1 1 49 49 ARG N N 15 124.176 0.3 . 1 . . . . . . . . 6340 1 541 . 1 1 49 49 ARG H H 1 8.378 0.03 . 1 . . . . . . . . 6340 1 542 . 1 1 49 49 ARG CA C 13 55.763 0.3 . 1 . . . . . . . . 6340 1 543 . 1 1 49 49 ARG HA H 1 4.848 0.03 . 1 . . . . . . . . 6340 1 544 . 1 1 49 49 ARG CB C 13 31.219 0.3 . 1 . . . . . . . . 6340 1 545 . 1 1 49 49 ARG HB3 H 1 1.751 0.03 . 2 . . . . . . . . 6340 1 546 . 1 1 49 49 ARG HB2 H 1 1.491 0.03 . 2 . . . . . . . . 6340 1 547 . 1 1 49 49 ARG CG C 13 27.528 0.3 . 1 . . . . . . . . 6340 1 548 . 1 1 49 49 ARG CD C 13 42.820 0.3 . 1 . . . . . . . . 6340 1 549 . 1 1 49 49 ARG HD3 H 1 3.074 0.03 . 2 . . . . . . . . 6340 1 550 . 1 1 49 49 ARG C C 13 175.045 0.3 . 1 . . . . . . . . 6340 1 551 . 1 1 50 50 PHE N N 15 125.202 0.3 . 1 . . . . . . . . 6340 1 552 . 1 1 50 50 PHE H H 1 9.258 0.03 . 1 . . . . . . . . 6340 1 553 . 1 1 50 50 PHE CA C 13 56.724 0.3 . 1 . . . . . . . . 6340 1 554 . 1 1 50 50 PHE HA H 1 5.376 0.03 . 1 . . . . . . . . 6340 1 555 . 1 1 50 50 PHE CB C 13 43.352 0.3 . 1 . . . . . . . . 6340 1 556 . 1 1 50 50 PHE HB3 H 1 2.879 0.03 . 2 . . . . . . . . 6340 1 557 . 1 1 50 50 PHE HB2 H 1 2.728 0.03 . 2 . . . . . . . . 6340 1 558 . 1 1 50 50 PHE C C 13 175.041 0.3 . 1 . . . . . . . . 6340 1 559 . 1 1 51 51 GLU N N 15 117.986 0.3 . 1 . . . . . . . . 6340 1 560 . 1 1 51 51 GLU H H 1 8.732 0.03 . 1 . . . . . . . . 6340 1 561 . 1 1 51 51 GLU CA C 13 54.942 0.3 . 1 . . . . . . . . 6340 1 562 . 1 1 51 51 GLU HA H 1 5.607 0.03 . 1 . . . . . . . . 6340 1 563 . 1 1 51 51 GLU CB C 13 35.116 0.3 . 1 . . . . . . . . 6340 1 564 . 1 1 51 51 GLU HB3 H 1 2.060 0.03 . 2 . . . . . . . . 6340 1 565 . 1 1 51 51 GLU HB2 H 1 1.979 0.03 . 2 . . . . . . . . 6340 1 566 . 1 1 51 51 GLU CG C 13 36.282 0.3 . 1 . . . . . . . . 6340 1 567 . 1 1 51 51 GLU HG3 H 1 2.221 0.03 . 2 . . . . . . . . 6340 1 568 . 1 1 51 51 GLU HG2 H 1 2.099 0.03 . 2 . . . . . . . . 6340 1 569 . 1 1 51 51 GLU C C 13 175.360 0.3 . 1 . . . . . . . . 6340 1 570 . 1 1 52 52 PHE N N 15 113.900 0.3 . 1 . . . . . . . . 6340 1 571 . 1 1 52 52 PHE H H 1 8.480 0.03 . 1 . . . . . . . . 6340 1 572 . 1 1 52 52 PHE CA C 13 58.492 0.3 . 1 . . . . . . . . 6340 1 573 . 1 1 52 52 PHE HA H 1 4.863 0.03 . 1 . . . . . . . . 6340 1 574 . 1 1 52 52 PHE CB C 13 40.753 0.3 . 1 . . . . . . . . 6340 1 575 . 1 1 52 52 PHE HB3 H 1 3.357 0.03 . 2 . . . . . . . . 6340 1 576 . 1 1 52 52 PHE HB2 H 1 3.341 0.03 . 2 . . . . . . . . 6340 1 577 . 1 1 52 52 PHE HD1 H 1 6.855 0.03 . 3 . . . . . . . . 6340 1 578 . 1 1 52 52 PHE C C 13 172.675 0.3 . 1 . . . . . . . . 6340 1 579 . 1 1 53 53 SER N N 15 114.536 0.3 . 1 . . . . . . . . 6340 1 580 . 1 1 53 53 SER H H 1 8.569 0.03 . 1 . . . . . . . . 6340 1 581 . 1 1 53 53 SER CA C 13 57.701 0.3 . 1 . . . . . . . . 6340 1 582 . 1 1 53 53 SER HA H 1 5.252 0.03 . 1 . . . . . . . . 6340 1 583 . 1 1 53 53 SER CB C 13 65.030 0.3 . 1 . . . . . . . . 6340 1 584 . 1 1 53 53 SER HB3 H 1 3.714 0.03 . 2 . . . . . . . . 6340 1 585 . 1 1 53 53 SER C C 13 172.778 0.3 . 1 . . . . . . . . 6340 1 586 . 1 1 54 54 LEU N N 15 123.408 0.3 . 1 . . . . . . . . 6340 1 587 . 1 1 54 54 LEU H H 1 9.394 0.03 . 1 . . . . . . . . 6340 1 588 . 1 1 54 54 LEU CA C 13 53.417 0.3 . 1 . . . . . . . . 6340 1 589 . 1 1 54 54 LEU HA H 1 4.879 0.03 . 1 . . . . . . . . 6340 1 590 . 1 1 54 54 LEU CB C 13 45.402 0.3 . 1 . . . . . . . . 6340 1 591 . 1 1 54 54 LEU HB3 H 1 1.930 0.03 . 2 . . . . . . . . 6340 1 592 . 1 1 54 54 LEU HB2 H 1 1.280 0.03 . 2 . . . . . . . . 6340 1 593 . 1 1 54 54 LEU CG C 13 27.330 0.3 . 1 . . . . . . . . 6340 1 594 . 1 1 54 54 LEU HG H 1 0.855 0.03 . 1 . . . . . . . . 6340 1 595 . 1 1 54 54 LEU CD1 C 13 23.476 0.3 . 1 . . . . . . . . 6340 1 596 . 1 1 54 54 LEU HD11 H 1 1.010 0.03 . 2 . . . . . . . . 6340 1 597 . 1 1 54 54 LEU HD12 H 1 1.010 0.03 . 2 . . . . . . . . 6340 1 598 . 1 1 54 54 LEU HD13 H 1 1.010 0.03 . 2 . . . . . . . . 6340 1 599 . 1 1 54 54 LEU CD2 C 13 23.504 0.3 . 1 . . . . . . . . 6340 1 600 . 1 1 54 54 LEU HD21 H 1 0.737 0.03 . 2 . . . . . . . . 6340 1 601 . 1 1 54 54 LEU HD22 H 1 0.737 0.03 . 2 . . . . . . . . 6340 1 602 . 1 1 54 54 LEU HD23 H 1 0.737 0.03 . 2 . . . . . . . . 6340 1 603 . 1 1 54 54 LEU C C 13 175.175 0.3 . 1 . . . . . . . . 6340 1 604 . 1 1 55 55 GLU N N 15 123.743 0.3 . 1 . . . . . . . . 6340 1 605 . 1 1 55 55 GLU H H 1 8.494 0.03 . 1 . . . . . . . . 6340 1 606 . 1 1 55 55 GLU CA C 13 55.609 0.3 . 1 . . . . . . . . 6340 1 607 . 1 1 55 55 GLU HA H 1 4.734 0.03 . 1 . . . . . . . . 6340 1 608 . 1 1 55 55 GLU CB C 13 29.579 0.3 . 1 . . . . . . . . 6340 1 609 . 1 1 55 55 GLU HB3 H 1 1.960 0.03 . 2 . . . . . . . . 6340 1 610 . 1 1 55 55 GLU HB2 H 1 1.799 0.03 . 2 . . . . . . . . 6340 1 611 . 1 1 55 55 GLU CG C 13 36.837 0.3 . 1 . . . . . . . . 6340 1 612 . 1 1 55 55 GLU HG3 H 1 2.117 0.03 . 2 . . . . . . . . 6340 1 613 . 1 1 55 55 GLU HG2 H 1 1.981 0.03 . 2 . . . . . . . . 6340 1 614 . 1 1 55 55 GLU C C 13 176.048 0.3 . 1 . . . . . . . . 6340 1 615 . 1 1 56 56 LEU N N 15 125.524 0.3 . 1 . . . . . . . . 6340 1 616 . 1 1 56 56 LEU H H 1 8.982 0.03 . 1 . . . . . . . . 6340 1 617 . 1 1 56 56 LEU CA C 13 55.520 0.3 . 1 . . . . . . . . 6340 1 618 . 1 1 56 56 LEU CB C 13 43.347 0.3 . 1 . . . . . . . . 6340 1 619 . 1 1 57 57 TYR N N 15 119.474 0.3 . 1 . . . . . . . . 6340 1 620 . 1 1 57 57 TYR H H 1 8.113 0.03 . 1 . . . . . . . . 6340 1 621 . 1 1 57 57 TYR CA C 13 61.159 0.3 . 1 . . . . . . . . 6340 1 622 . 1 1 57 57 TYR HA H 1 2.939 0.03 . 1 . . . . . . . . 6340 1 623 . 1 1 57 57 TYR CB C 13 39.674 0.3 . 1 . . . . . . . . 6340 1 624 . 1 1 57 57 TYR HB3 H 1 2.215 0.03 . 2 . . . . . . . . 6340 1 625 . 1 1 57 57 TYR HB2 H 1 1.277 0.03 . 2 . . . . . . . . 6340 1 626 . 1 1 57 57 TYR HD1 H 1 5.934 0.03 . 3 . . . . . . . . 6340 1 627 . 1 1 57 57 TYR HE1 H 1 6.609 0.03 . 3 . . . . . . . . 6340 1 628 . 1 1 58 58 GLY CA C 13 42.569 0.3 . 1 . . . . . . . . 6340 1 629 . 1 1 58 58 GLY HA3 H 1 4.131 0.03 . 2 . . . . . . . . 6340 1 630 . 1 1 58 58 GLY HA2 H 1 2.870 0.03 . 2 . . . . . . . . 6340 1 631 . 1 1 58 58 GLY C C 13 170.013 0.3 . 1 . . . . . . . . 6340 1 632 . 1 1 59 59 LYS N N 15 112.574 0.3 . 1 . . . . . . . . 6340 1 633 . 1 1 59 59 LYS H H 1 7.489 0.03 . 1 . . . . . . . . 6340 1 634 . 1 1 59 59 LYS CA C 13 57.320 0.3 . 1 . . . . . . . . 6340 1 635 . 1 1 59 59 LYS HA H 1 4.108 0.03 . 1 . . . . . . . . 6340 1 636 . 1 1 59 59 LYS CB C 13 33.559 0.3 . 1 . . . . . . . . 6340 1 637 . 1 1 59 59 LYS HB3 H 1 1.499 0.03 . 2 . . . . . . . . 6340 1 638 . 1 1 59 59 LYS CG C 13 24.844 0.3 . 1 . . . . . . . . 6340 1 639 . 1 1 59 59 LYS CD C 13 29.128 0.3 . 1 . . . . . . . . 6340 1 640 . 1 1 59 59 LYS HD3 H 1 2.109 0.03 . 2 . . . . . . . . 6340 1 641 . 1 1 59 59 LYS HD2 H 1 2.036 0.03 . 2 . . . . . . . . 6340 1 642 . 1 1 59 59 LYS CE C 13 41.897 0.3 . 1 . . . . . . . . 6340 1 643 . 1 1 59 59 LYS HE3 H 1 2.882 0.03 . 2 . . . . . . . . 6340 1 644 . 1 1 59 59 LYS C C 13 179.037 0.3 . 1 . . . . . . . . 6340 1 645 . 1 1 60 60 ILE N N 15 114.013 0.3 . 1 . . . . . . . . 6340 1 646 . 1 1 60 60 ILE H H 1 8.504 0.03 . 1 . . . . . . . . 6340 1 647 . 1 1 60 60 ILE CA C 13 60.090 0.3 . 1 . . . . . . . . 6340 1 648 . 1 1 60 60 ILE HA H 1 5.150 0.03 . 1 . . . . . . . . 6340 1 649 . 1 1 60 60 ILE CB C 13 42.923 0.3 . 1 . . . . . . . . 6340 1 650 . 1 1 60 60 ILE HB H 1 2.035 0.03 . 1 . . . . . . . . 6340 1 651 . 1 1 60 60 ILE CG1 C 13 25.447 0.3 . 2 . . . . . . . . 6340 1 652 . 1 1 60 60 ILE CD1 C 13 18.187 0.3 . 1 . . . . . . . . 6340 1 653 . 1 1 60 60 ILE HD11 H 1 0.940 0.03 . 1 . . . . . . . . 6340 1 654 . 1 1 60 60 ILE HD12 H 1 0.940 0.03 . 1 . . . . . . . . 6340 1 655 . 1 1 60 60 ILE HD13 H 1 0.940 0.03 . 1 . . . . . . . . 6340 1 656 . 1 1 60 60 ILE CG2 C 13 22.705 0.3 . 1 . . . . . . . . 6340 1 657 . 1 1 60 60 ILE C C 13 174.989 0.3 . 1 . . . . . . . . 6340 1 658 . 1 1 61 61 MET N N 15 117.477 0.3 . 1 . . . . . . . . 6340 1 659 . 1 1 61 61 MET H H 1 8.342 0.03 . 1 . . . . . . . . 6340 1 660 . 1 1 61 61 MET CA C 13 54.192 0.3 . 1 . . . . . . . . 6340 1 661 . 1 1 61 61 MET HA H 1 4.815 0.03 . 1 . . . . . . . . 6340 1 662 . 1 1 61 61 MET CB C 13 32.420 0.3 . 1 . . . . . . . . 6340 1 663 . 1 1 61 61 MET HB3 H 1 2.427 0.03 . 2 . . . . . . . . 6340 1 664 . 1 1 61 61 MET HB2 H 1 2.396 0.03 . 2 . . . . . . . . 6340 1 665 . 1 1 61 61 MET C C 13 177.674 0.3 . 1 . . . . . . . . 6340 1 666 . 1 1 62 62 THR N N 15 111.039 0.3 . 1 . . . . . . . . 6340 1 667 . 1 1 62 62 THR H H 1 8.491 0.03 . 1 . . . . . . . . 6340 1 668 . 1 1 62 62 THR CA C 13 64.518 0.3 . 1 . . . . . . . . 6340 1 669 . 1 1 62 62 THR HA H 1 4.224 0.03 . 1 . . . . . . . . 6340 1 670 . 1 1 62 62 THR CB C 13 68.964 0.3 . 1 . . . . . . . . 6340 1 671 . 1 1 62 62 THR HB H 1 4.425 0.03 . 1 . . . . . . . . 6340 1 672 . 1 1 62 62 THR CG2 C 13 22.541 0.3 . 1 . . . . . . . . 6340 1 673 . 1 1 62 62 THR HG21 H 1 1.313 0.03 . 1 . . . . . . . . 6340 1 674 . 1 1 62 62 THR HG22 H 1 1.313 0.03 . 1 . . . . . . . . 6340 1 675 . 1 1 62 62 THR HG23 H 1 1.313 0.03 . 1 . . . . . . . . 6340 1 676 . 1 1 62 62 THR C C 13 175.493 0.3 . 1 . . . . . . . . 6340 1 677 . 1 1 63 63 GLU N N 15 120.705 0.3 . 1 . . . . . . . . 6340 1 678 . 1 1 63 63 GLU H H 1 7.582 0.03 . 1 . . . . . . . . 6340 1 679 . 1 1 63 63 GLU CA C 13 56.300 0.3 . 1 . . . . . . . . 6340 1 680 . 1 1 63 63 GLU HA H 1 4.531 0.03 . 1 . . . . . . . . 6340 1 681 . 1 1 63 63 GLU CB C 13 29.058 0.3 . 1 . . . . . . . . 6340 1 682 . 1 1 63 63 GLU HB3 H 1 1.920 0.03 . 2 . . . . . . . . 6340 1 683 . 1 1 63 63 GLU HB2 H 1 2.050 0.03 . 2 . . . . . . . . 6340 1 684 . 1 1 63 63 GLU CG C 13 36.389 0.3 . 1 . . . . . . . . 6340 1 685 . 1 1 63 63 GLU HG3 H 1 2.193 0.03 . 2 . . . . . . . . 6340 1 686 . 1 1 63 63 GLU C C 13 175.723 0.3 . 1 . . . . . . . . 6340 1 687 . 1 1 64 64 TYR N N 15 124.643 0.3 . 1 . . . . . . . . 6340 1 688 . 1 1 64 64 TYR H H 1 7.802 0.03 . 1 . . . . . . . . 6340 1 689 . 1 1 64 64 TYR CA C 13 55.815 0.3 . 1 . . . . . . . . 6340 1 690 . 1 1 64 64 TYR HA H 1 5.170 0.03 . 1 . . . . . . . . 6340 1 691 . 1 1 64 64 TYR CB C 13 40.938 0.3 . 1 . . . . . . . . 6340 1 692 . 1 1 64 64 TYR HB3 H 1 3.340 0.03 . 2 . . . . . . . . 6340 1 693 . 1 1 64 64 TYR HB2 H 1 3.242 0.03 . 2 . . . . . . . . 6340 1 694 . 1 1 64 64 TYR C C 13 173.864 0.3 . 1 . . . . . . . . 6340 1 695 . 1 1 65 65 ARG N N 15 119.177 0.3 . 1 . . . . . . . . 6340 1 696 . 1 1 65 65 ARG H H 1 8.650 0.03 . 1 . . . . . . . . 6340 1 697 . 1 1 65 65 ARG CA C 13 54.700 0.3 . 1 . . . . . . . . 6340 1 698 . 1 1 65 65 ARG HA H 1 4.919 0.03 . 1 . . . . . . . . 6340 1 699 . 1 1 65 65 ARG CB C 13 33.579 0.3 . 1 . . . . . . . . 6340 1 700 . 1 1 65 65 ARG HB3 H 1 1.920 0.03 . 2 . . . . . . . . 6340 1 701 . 1 1 65 65 ARG HB2 H 1 1.737 0.03 . 2 . . . . . . . . 6340 1 702 . 1 1 65 65 ARG CG C 13 27.621 0.3 . 1 . . . . . . . . 6340 1 703 . 1 1 65 65 ARG HG3 H 1 1.598 0.03 . 2 . . . . . . . . 6340 1 704 . 1 1 65 65 ARG HG2 H 1 1.706 0.03 . 2 . . . . . . . . 6340 1 705 . 1 1 65 65 ARG CD C 13 43.595 0.3 . 1 . . . . . . . . 6340 1 706 . 1 1 65 65 ARG HD3 H 1 3.122 0.03 . 2 . . . . . . . . 6340 1 707 . 1 1 65 65 ARG C C 13 175.286 0.3 . 1 . . . . . . . . 6340 1 708 . 1 1 66 66 LYS N N 15 121.620 0.3 . 1 . . . . . . . . 6340 1 709 . 1 1 66 66 LYS H H 1 9.027 0.03 . 1 . . . . . . . . 6340 1 710 . 1 1 66 66 LYS CA C 13 54.615 0.3 . 1 . . . . . . . . 6340 1 711 . 1 1 66 66 LYS HA H 1 5.439 0.03 . 1 . . . . . . . . 6340 1 712 . 1 1 66 66 LYS CB C 13 37.420 0.3 . 1 . . . . . . . . 6340 1 713 . 1 1 66 66 LYS HB3 H 1 1.910 0.03 . 2 . . . . . . . . 6340 1 714 . 1 1 66 66 LYS HB2 H 1 1.424 0.03 . 2 . . . . . . . . 6340 1 715 . 1 1 66 66 LYS CG C 13 24.290 0.3 . 1 . . . . . . . . 6340 1 716 . 1 1 66 66 LYS HG3 H 1 1.424 0.03 . 2 . . . . . . . . 6340 1 717 . 1 1 66 66 LYS HG2 H 1 1.158 0.03 . 2 . . . . . . . . 6340 1 718 . 1 1 66 66 LYS CD C 13 30.164 0.3 . 1 . . . . . . . . 6340 1 719 . 1 1 66 66 LYS HD3 H 1 1.854 0.03 . 2 . . . . . . . . 6340 1 720 . 1 1 66 66 LYS HD2 H 1 1.556 0.03 . 2 . . . . . . . . 6340 1 721 . 1 1 66 66 LYS CE C 13 42.225 0.3 . 1 . . . . . . . . 6340 1 722 . 1 1 66 66 LYS HE3 H 1 3.072 0.03 . 2 . . . . . . . . 6340 1 723 . 1 1 66 66 LYS HE2 H 1 2.733 0.03 . 2 . . . . . . . . 6340 1 724 . 1 1 66 66 LYS C C 13 173.964 0.3 . 1 . . . . . . . . 6340 1 725 . 1 1 67 67 ASN N N 15 122.210 0.3 . 1 . . . . . . . . 6340 1 726 . 1 1 67 67 ASN H H 1 8.749 0.03 . 1 . . . . . . . . 6340 1 727 . 1 1 67 67 ASN CA C 13 52.876 0.3 . 1 . . . . . . . . 6340 1 728 . 1 1 67 67 ASN HA H 1 4.887 0.03 . 1 . . . . . . . . 6340 1 729 . 1 1 67 67 ASN CB C 13 41.079 0.3 . 1 . . . . . . . . 6340 1 730 . 1 1 67 67 ASN HB3 H 1 2.611 0.03 . 2 . . . . . . . . 6340 1 731 . 1 1 67 67 ASN HB2 H 1 2.310 0.03 . 2 . . . . . . . . 6340 1 732 . 1 1 67 67 ASN ND2 N 15 111.348 0.3 . 1 . . . . . . . . 6340 1 733 . 1 1 67 67 ASN HD21 H 1 6.750 0.03 . 2 . . . . . . . . 6340 1 734 . 1 1 67 67 ASN HD22 H 1 7.367 0.03 . 2 . . . . . . . . 6340 1 735 . 1 1 67 67 ASN C C 13 174.144 0.3 . 1 . . . . . . . . 6340 1 736 . 1 1 68 68 VAL N N 15 127.894 0.3 . 1 . . . . . . . . 6340 1 737 . 1 1 68 68 VAL H H 1 9.030 0.03 . 1 . . . . . . . . 6340 1 738 . 1 1 68 68 VAL CA C 13 63.712 0.3 . 1 . . . . . . . . 6340 1 739 . 1 1 68 68 VAL HA H 1 3.964 0.03 . 1 . . . . . . . . 6340 1 740 . 1 1 68 68 VAL CB C 13 31.975 0.3 . 1 . . . . . . . . 6340 1 741 . 1 1 68 68 VAL HB H 1 2.139 0.03 . 1 . . . . . . . . 6340 1 742 . 1 1 68 68 VAL CG2 C 13 21.563 0.3 . 1 . . . . . . . . 6340 1 743 . 1 1 68 68 VAL HG21 H 1 0.905 0.03 . 2 . . . . . . . . 6340 1 744 . 1 1 68 68 VAL HG22 H 1 0.905 0.03 . 2 . . . . . . . . 6340 1 745 . 1 1 68 68 VAL HG23 H 1 0.905 0.03 . 2 . . . . . . . . 6340 1 746 . 1 1 68 68 VAL CG1 C 13 21.563 0.3 . 1 . . . . . . . . 6340 1 747 . 1 1 68 68 VAL HG11 H 1 0.998 0.03 . 2 . . . . . . . . 6340 1 748 . 1 1 68 68 VAL HG12 H 1 0.998 0.03 . 2 . . . . . . . . 6340 1 749 . 1 1 68 68 VAL HG13 H 1 0.998 0.03 . 2 . . . . . . . . 6340 1 750 . 1 1 68 68 VAL C C 13 174.989 0.3 . 1 . . . . . . . . 6340 1 751 . 1 1 69 69 GLY N N 15 117.729 0.3 . 1 . . . . . . . . 6340 1 752 . 1 1 69 69 GLY H H 1 8.373 0.03 . 1 . . . . . . . . 6340 1 753 . 1 1 69 69 GLY CA C 13 43.931 0.3 . 1 . . . . . . . . 6340 1 754 . 1 1 69 69 GLY HA3 H 1 4.663 0.03 . 2 . . . . . . . . 6340 1 755 . 1 1 69 69 GLY HA2 H 1 3.959 0.03 . 2 . . . . . . . . 6340 1 756 . 1 1 69 69 GLY C C 13 173.562 0.3 . 1 . . . . . . . . 6340 1 757 . 1 1 70 70 LEU N N 15 118.895 0.3 . 1 . . . . . . . . 6340 1 758 . 1 1 70 70 LEU H H 1 8.556 0.03 . 1 . . . . . . . . 6340 1 759 . 1 1 70 70 LEU CA C 13 57.713 0.3 . 1 . . . . . . . . 6340 1 760 . 1 1 70 70 LEU HA H 1 4.211 0.03 . 1 . . . . . . . . 6340 1 761 . 1 1 70 70 LEU CB C 13 42.800 0.3 . 1 . . . . . . . . 6340 1 762 . 1 1 70 70 LEU HB3 H 1 1.658 0.03 . 2 . . . . . . . . 6340 1 763 . 1 1 70 70 LEU HB2 H 1 1.536 0.03 . 2 . . . . . . . . 6340 1 764 . 1 1 70 70 LEU CG C 13 27.342 0.3 . 1 . . . . . . . . 6340 1 765 . 1 1 70 70 LEU HG H 1 2.089 0.03 . 1 . . . . . . . . 6340 1 766 . 1 1 70 70 LEU CD1 C 13 25.082 0.3 . 1 . . . . . . . . 6340 1 767 . 1 1 70 70 LEU HD11 H 1 1.342 0.03 . 2 . . . . . . . . 6340 1 768 . 1 1 70 70 LEU HD12 H 1 1.342 0.03 . 2 . . . . . . . . 6340 1 769 . 1 1 70 70 LEU HD13 H 1 1.342 0.03 . 2 . . . . . . . . 6340 1 770 . 1 1 70 70 LEU CD2 C 13 23.452 0.3 . 1 . . . . . . . . 6340 1 771 . 1 1 70 70 LEU HD21 H 1 0.885 0.03 . 2 . . . . . . . . 6340 1 772 . 1 1 70 70 LEU HD22 H 1 0.885 0.03 . 2 . . . . . . . . 6340 1 773 . 1 1 70 70 LEU HD23 H 1 0.885 0.03 . 2 . . . . . . . . 6340 1 774 . 1 1 70 70 LEU C C 13 179.462 0.3 . 1 . . . . . . . . 6340 1 775 . 1 1 71 71 ARG N N 15 114.022 0.3 . 1 . . . . . . . . 6340 1 776 . 1 1 71 71 ARG H H 1 8.660 0.03 . 1 . . . . . . . . 6340 1 777 . 1 1 71 71 ARG CA C 13 55.964 0.3 . 1 . . . . . . . . 6340 1 778 . 1 1 71 71 ARG HA H 1 4.335 0.03 . 1 . . . . . . . . 6340 1 779 . 1 1 71 71 ARG CB C 13 32.188 0.3 . 1 . . . . . . . . 6340 1 780 . 1 1 71 71 ARG HB3 H 1 1.846 0.03 . 2 . . . . . . . . 6340 1 781 . 1 1 71 71 ARG HB2 H 1 1.625 0.03 . 2 . . . . . . . . 6340 1 782 . 1 1 71 71 ARG CG C 13 27.500 0.3 . 1 . . . . . . . . 6340 1 783 . 1 1 71 71 ARG HG3 H 1 1.590 0.03 . 2 . . . . . . . . 6340 1 784 . 1 1 71 71 ARG HG2 H 1 1.833 0.03 . 2 . . . . . . . . 6340 1 785 . 1 1 71 71 ARG CD C 13 42.906 0.3 . 1 . . . . . . . . 6340 1 786 . 1 1 71 71 ARG HD3 H 1 3.110 0.03 . 2 . . . . . . . . 6340 1 787 . 1 1 71 71 ARG C C 13 174.716 0.3 . 1 . . . . . . . . 6340 1 788 . 1 1 72 72 ASN N N 15 112.703 0.3 . 1 . . . . . . . . 6340 1 789 . 1 1 72 72 ASN H H 1 7.384 0.03 . 1 . . . . . . . . 6340 1 790 . 1 1 72 72 ASN CA C 13 51.894 0.3 . 1 . . . . . . . . 6340 1 791 . 1 1 72 72 ASN HA H 1 4.497 0.03 . 1 . . . . . . . . 6340 1 792 . 1 1 72 72 ASN CB C 13 41.261 0.3 . 1 . . . . . . . . 6340 1 793 . 1 1 72 72 ASN HB3 H 1 2.743 0.03 . 2 . . . . . . . . 6340 1 794 . 1 1 72 72 ASN HB2 H 1 2.471 0.03 . 2 . . . . . . . . 6340 1 795 . 1 1 72 72 ASN ND2 N 15 112.692 0.3 . 1 . . . . . . . . 6340 1 796 . 1 1 72 72 ASN HD21 H 1 7.294 0.03 . 2 . . . . . . . . 6340 1 797 . 1 1 72 72 ASN HD22 H 1 6.626 0.03 . 2 . . . . . . . . 6340 1 798 . 1 1 72 72 ASN C C 13 172.962 0.3 . 1 . . . . . . . . 6340 1 799 . 1 1 73 73 ILE N N 15 117.728 0.3 . 1 . . . . . . . . 6340 1 800 . 1 1 73 73 ILE H H 1 8.441 0.03 . 1 . . . . . . . . 6340 1 801 . 1 1 73 73 ILE CA C 13 60.816 0.3 . 1 . . . . . . . . 6340 1 802 . 1 1 73 73 ILE HA H 1 4.660 0.03 . 1 . . . . . . . . 6340 1 803 . 1 1 73 73 ILE CB C 13 42.998 0.3 . 1 . . . . . . . . 6340 1 804 . 1 1 73 73 ILE HB H 1 1.600 0.03 . 1 . . . . . . . . 6340 1 805 . 1 1 73 73 ILE CG1 C 13 27.986 0.3 . 2 . . . . . . . . 6340 1 806 . 1 1 73 73 ILE HG13 H 1 1.084 0.03 . 1 . . . . . . . . 6340 1 807 . 1 1 73 73 ILE HG12 H 1 1.819 0.03 . 1 . . . . . . . . 6340 1 808 . 1 1 73 73 ILE CD1 C 13 16.891 0.3 . 1 . . . . . . . . 6340 1 809 . 1 1 73 73 ILE HD11 H 1 0.800 0.03 . 1 . . . . . . . . 6340 1 810 . 1 1 73 73 ILE HD12 H 1 0.800 0.03 . 1 . . . . . . . . 6340 1 811 . 1 1 73 73 ILE HD13 H 1 0.800 0.03 . 1 . . . . . . . . 6340 1 812 . 1 1 73 73 ILE CG2 C 13 20.357 0.3 . 1 . . . . . . . . 6340 1 813 . 1 1 73 73 ILE HG21 H 1 0.403 0.03 . 1 . . . . . . . . 6340 1 814 . 1 1 73 73 ILE HG22 H 1 0.403 0.03 . 1 . . . . . . . . 6340 1 815 . 1 1 73 73 ILE HG23 H 1 0.403 0.03 . 1 . . . . . . . . 6340 1 816 . 1 1 73 73 ILE C C 13 174.485 0.3 . 1 . . . . . . . . 6340 1 817 . 1 1 74 74 ILE N N 15 125.232 0.3 . 1 . . . . . . . . 6340 1 818 . 1 1 74 74 ILE H H 1 8.535 0.03 . 1 . . . . . . . . 6340 1 819 . 1 1 74 74 ILE CA C 13 60.608 0.3 . 1 . . . . . . . . 6340 1 820 . 1 1 74 74 ILE HA H 1 4.957 0.03 . 1 . . . . . . . . 6340 1 821 . 1 1 74 74 ILE CB C 13 41.020 0.3 . 1 . . . . . . . . 6340 1 822 . 1 1 74 74 ILE HB H 1 1.571 0.03 . 1 . . . . . . . . 6340 1 823 . 1 1 74 74 ILE CG1 C 13 27.748 0.3 . 2 . . . . . . . . 6340 1 824 . 1 1 74 74 ILE HG13 H 1 1.523 0.03 . 1 . . . . . . . . 6340 1 825 . 1 1 74 74 ILE HG12 H 1 0.855 0.03 . 1 . . . . . . . . 6340 1 826 . 1 1 74 74 ILE CD1 C 13 14.418 0.3 . 1 . . . . . . . . 6340 1 827 . 1 1 74 74 ILE HD11 H 1 0.680 0.03 . 1 . . . . . . . . 6340 1 828 . 1 1 74 74 ILE HD12 H 1 0.680 0.03 . 1 . . . . . . . . 6340 1 829 . 1 1 74 74 ILE HD13 H 1 0.680 0.03 . 1 . . . . . . . . 6340 1 830 . 1 1 74 74 ILE CG2 C 13 17.066 0.3 . 1 . . . . . . . . 6340 1 831 . 1 1 74 74 ILE HG21 H 1 0.791 0.03 . 1 . . . . . . . . 6340 1 832 . 1 1 74 74 ILE HG22 H 1 0.791 0.03 . 1 . . . . . . . . 6340 1 833 . 1 1 74 74 ILE HG23 H 1 0.791 0.03 . 1 . . . . . . . . 6340 1 834 . 1 1 74 74 ILE C C 13 175.563 0.3 . 1 . . . . . . . . 6340 1 835 . 1 1 75 75 PHE N N 15 126.127 0.3 . 1 . . . . . . . . 6340 1 836 . 1 1 75 75 PHE H H 1 9.766 0.03 . 1 . . . . . . . . 6340 1 837 . 1 1 75 75 PHE CA C 13 57.176 0.3 . 1 . . . . . . . . 6340 1 838 . 1 1 75 75 PHE HA H 1 5.615 0.03 . 1 . . . . . . . . 6340 1 839 . 1 1 75 75 PHE CB C 13 42.116 0.3 . 1 . . . . . . . . 6340 1 840 . 1 1 75 75 PHE HB3 H 1 3.026 0.03 . 2 . . . . . . . . 6340 1 841 . 1 1 75 75 PHE HB2 H 1 2.822 0.03 . 2 . . . . . . . . 6340 1 842 . 1 1 75 75 PHE C C 13 175.078 0.3 . 1 . . . . . . . . 6340 1 843 . 1 1 76 76 SER N N 15 116.357 0.3 . 1 . . . . . . . . 6340 1 844 . 1 1 76 76 SER H H 1 8.961 0.03 . 1 . . . . . . . . 6340 1 845 . 1 1 76 76 SER CA C 13 56.933 0.3 . 1 . . . . . . . . 6340 1 846 . 1 1 76 76 SER HA H 1 5.035 0.03 . 1 . . . . . . . . 6340 1 847 . 1 1 76 76 SER CB C 13 64.208 0.3 . 1 . . . . . . . . 6340 1 848 . 1 1 76 76 SER HB3 H 1 3.580 0.03 . 2 . . . . . . . . 6340 1 849 . 1 1 76 76 SER C C 13 173.712 0.3 . 1 . . . . . . . . 6340 1 850 . 1 1 77 77 ILE N N 15 129.322 0.3 . 1 . . . . . . . . 6340 1 851 . 1 1 77 77 ILE H H 1 9.099 0.03 . 1 . . . . . . . . 6340 1 852 . 1 1 77 77 ILE CA C 13 59.621 0.3 . 1 . . . . . . . . 6340 1 853 . 1 1 77 77 ILE HA H 1 4.473 0.03 . 1 . . . . . . . . 6340 1 854 . 1 1 77 77 ILE CB C 13 40.956 0.3 . 1 . . . . . . . . 6340 1 855 . 1 1 77 77 ILE HB H 1 1.577 0.03 . 1 . . . . . . . . 6340 1 856 . 1 1 77 77 ILE CG1 C 13 27.748 0.3 . 2 . . . . . . . . 6340 1 857 . 1 1 77 77 ILE HG13 H 1 1.224 0.03 . 1 . . . . . . . . 6340 1 858 . 1 1 77 77 ILE HG12 H 1 0.854 0.03 . 1 . . . . . . . . 6340 1 859 . 1 1 77 77 ILE CD1 C 13 14.461 0.3 . 1 . . . . . . . . 6340 1 860 . 1 1 77 77 ILE HD11 H 1 0.230 0.03 . 1 . . . . . . . . 6340 1 861 . 1 1 77 77 ILE HD12 H 1 0.230 0.03 . 1 . . . . . . . . 6340 1 862 . 1 1 77 77 ILE HD13 H 1 0.230 0.03 . 1 . . . . . . . . 6340 1 863 . 1 1 77 77 ILE CG2 C 13 18.785 0.3 . 1 . . . . . . . . 6340 1 864 . 1 1 77 77 ILE HG21 H 1 0.789 0.03 . 1 . . . . . . . . 6340 1 865 . 1 1 77 77 ILE HG22 H 1 0.789 0.03 . 1 . . . . . . . . 6340 1 866 . 1 1 77 77 ILE HG23 H 1 0.789 0.03 . 1 . . . . . . . . 6340 1 867 . 1 1 77 77 ILE C C 13 175.059 0.3 . 1 . . . . . . . . 6340 1 868 . 1 1 78 78 GLN N N 15 128.258 0.3 . 1 . . . . . . . . 6340 1 869 . 1 1 78 78 GLN H H 1 9.956 0.03 . 1 . . . . . . . . 6340 1 870 . 1 1 78 78 GLN CA C 13 55.451 0.3 . 1 . . . . . . . . 6340 1 871 . 1 1 78 78 GLN HA H 1 4.377 0.03 . 1 . . . . . . . . 6340 1 872 . 1 1 78 78 GLN CB C 13 30.165 0.3 . 1 . . . . . . . . 6340 1 873 . 1 1 78 78 GLN HB3 H 1 1.988 0.03 . 2 . . . . . . . . 6340 1 874 . 1 1 78 78 GLN HB2 H 1 2.136 0.03 . 2 . . . . . . . . 6340 1 875 . 1 1 78 78 GLN CG C 13 34.142 0.3 . 1 . . . . . . . . 6340 1 876 . 1 1 78 78 GLN HG3 H 1 2.490 0.03 . 2 . . . . . . . . 6340 1 877 . 1 1 78 78 GLN HG2 H 1 2.375 0.03 . 2 . . . . . . . . 6340 1 878 . 1 1 78 78 GLN NE2 N 15 111.156 0.3 . 1 . . . . . . . . 6340 1 879 . 1 1 78 78 GLN HE21 H 1 7.453 0.03 . 2 . . . . . . . . 6340 1 880 . 1 1 78 78 GLN HE22 H 1 6.849 0.03 . 2 . . . . . . . . 6340 1 881 . 1 1 78 78 GLN C C 13 175.974 0.3 . 1 . . . . . . . . 6340 1 882 . 1 1 79 79 LYS N N 15 124.914 0.3 . 1 . . . . . . . . 6340 1 883 . 1 1 79 79 LYS H H 1 7.934 0.03 . 1 . . . . . . . . 6340 1 884 . 1 1 79 79 LYS CA C 13 57.022 0.3 . 1 . . . . . . . . 6340 1 885 . 1 1 79 79 LYS HA H 1 4.500 0.03 . 1 . . . . . . . . 6340 1 886 . 1 1 79 79 LYS CB C 13 34.972 0.3 . 1 . . . . . . . . 6340 1 887 . 1 1 79 79 LYS HB3 H 1 2.350 0.03 . 2 . . . . . . . . 6340 1 888 . 1 1 79 79 LYS HB2 H 1 1.200 0.03 . 2 . . . . . . . . 6340 1 889 . 1 1 79 79 LYS CG C 13 26.343 0.3 . 1 . . . . . . . . 6340 1 890 . 1 1 79 79 LYS HG3 H 1 0.882 0.03 . 2 . . . . . . . . 6340 1 891 . 1 1 79 79 LYS HG2 H 1 0.623 0.03 . 2 . . . . . . . . 6340 1 892 . 1 1 79 79 LYS CD C 13 31.218 0.3 . 1 . . . . . . . . 6340 1 893 . 1 1 79 79 LYS HD3 H 1 1.325 0.03 . 2 . . . . . . . . 6340 1 894 . 1 1 79 79 LYS HD2 H 1 1.677 0.03 . 2 . . . . . . . . 6340 1 895 . 1 1 79 79 LYS CE C 13 40.941 0.3 . 1 . . . . . . . . 6340 1 896 . 1 1 79 79 LYS HE3 H 1 1.778 0.03 . 2 . . . . . . . . 6340 1 897 . 1 1 79 79 LYS HE2 H 1 0.312 0.03 . 2 . . . . . . . . 6340 1 898 . 1 1 79 79 LYS HZ1 H 1 2.591 0.03 . 1 . . . . . . . . 6340 1 899 . 1 1 79 79 LYS HZ2 H 1 2.591 0.03 . 1 . . . . . . . . 6340 1 900 . 1 1 79 79 LYS HZ3 H 1 2.591 0.03 . 1 . . . . . . . . 6340 1 901 . 1 1 79 79 LYS C C 13 176.579 0.3 . 1 . . . . . . . . 6340 1 902 . 1 1 80 80 GLU N N 15 122.955 0.3 . 1 . . . . . . . . 6340 1 903 . 1 1 80 80 GLU H H 1 8.123 0.03 . 1 . . . . . . . . 6340 1 904 . 1 1 80 80 GLU CA C 13 59.607 0.3 . 1 . . . . . . . . 6340 1 905 . 1 1 80 80 GLU HA H 1 3.953 0.03 . 1 . . . . . . . . 6340 1 906 . 1 1 80 80 GLU CB C 13 30.720 0.3 . 1 . . . . . . . . 6340 1 907 . 1 1 80 80 GLU HB3 H 1 1.610 0.03 . 2 . . . . . . . . 6340 1 908 . 1 1 80 80 GLU HB2 H 1 1.820 0.03 . 2 . . . . . . . . 6340 1 909 . 1 1 80 80 GLU CG C 13 36.688 0.3 . 1 . . . . . . . . 6340 1 910 . 1 1 80 80 GLU HG3 H 1 2.104 0.03 . 2 . . . . . . . . 6340 1 911 . 1 1 80 80 GLU HG2 H 1 1.919 0.03 . 2 . . . . . . . . 6340 1 912 . 1 1 80 80 GLU C C 13 175.676 0.3 . 1 . . . . . . . . 6340 1 913 . 1 1 81 81 GLU N N 15 115.085 0.3 . 1 . . . . . . . . 6340 1 914 . 1 1 81 81 GLU H H 1 8.048 0.03 . 1 . . . . . . . . 6340 1 915 . 1 1 81 81 GLU CA C 13 53.997 0.3 . 1 . . . . . . . . 6340 1 916 . 1 1 81 81 GLU HA H 1 4.567 0.03 . 1 . . . . . . . . 6340 1 917 . 1 1 81 81 GLU CB C 13 32.840 0.3 . 1 . . . . . . . . 6340 1 918 . 1 1 81 81 GLU HB3 H 1 1.951 0.03 . 2 . . . . . . . . 6340 1 919 . 1 1 81 81 GLU HB2 H 1 1.875 0.03 . 2 . . . . . . . . 6340 1 920 . 1 1 81 81 GLU CG C 13 36.410 0.3 . 1 . . . . . . . . 6340 1 921 . 1 1 81 81 GLU HG3 H 1 2.174 0.03 . 2 . . . . . . . . 6340 1 922 . 1 1 81 81 GLU HG2 H 1 2.164 0.03 . 2 . . . . . . . . 6340 1 923 . 1 1 81 81 GLU C C 13 175.173 0.3 . 1 . . . . . . . . 6340 1 924 . 1 1 82 82 ARG N N 15 124.790 0.3 . 1 . . . . . . . . 6340 1 925 . 1 1 82 82 ARG H H 1 8.673 0.03 . 1 . . . . . . . . 6340 1 926 . 1 1 82 82 ARG CA C 13 56.963 0.3 . 1 . . . . . . . . 6340 1 927 . 1 1 82 82 ARG CB C 13 29.658 0.3 . 1 . . . . . . . . 6340 1 928 . 1 1 82 82 ARG HB3 H 1 1.685 0.03 . 2 . . . . . . . . 6340 1 929 . 1 1 82 82 ARG CG C 13 24.416 0.3 . 1 . . . . . . . . 6340 1 930 . 1 1 82 82 ARG HG3 H 1 1.411 0.03 . 2 . . . . . . . . 6340 1 931 . 1 1 82 82 ARG CD C 13 42.500 0.3 . 1 . . . . . . . . 6340 1 932 . 1 1 82 82 ARG HD3 H 1 2.700 0.03 . 2 . . . . . . . . 6340 1 933 . 1 1 82 82 ARG HD2 H 1 2.500 0.03 . 2 . . . . . . . . 6340 1 934 . 1 1 82 82 ARG C C 13 175.744 0.3 . 1 . . . . . . . . 6340 1 935 . 1 1 83 83 SER N N 15 121.158 0.3 . 1 . . . . . . . . 6340 1 936 . 1 1 83 83 SER H H 1 8.204 0.03 . 1 . . . . . . . . 6340 1 937 . 1 1 83 83 SER CA C 13 58.375 0.3 . 1 . . . . . . . . 6340 1 938 . 1 1 83 83 SER HA H 1 4.613 0.03 . 1 . . . . . . . . 6340 1 939 . 1 1 83 83 SER CB C 13 64.827 0.3 . 1 . . . . . . . . 6340 1 940 . 1 1 83 83 SER HB3 H 1 4.012 0.03 . 2 . . . . . . . . 6340 1 941 . 1 1 83 83 SER C C 13 172.944 0.3 . 1 . . . . . . . . 6340 1 942 . 1 1 84 84 TRP N N 15 128.627 0.3 . 1 . . . . . . . . 6340 1 943 . 1 1 84 84 TRP H H 1 9.483 0.03 . 1 . . . . . . . . 6340 1 944 . 1 1 84 84 TRP CA C 13 58.295 0.3 . 1 . . . . . . . . 6340 1 945 . 1 1 84 84 TRP HA H 1 3.910 0.03 . 1 . . . . . . . . 6340 1 946 . 1 1 84 84 TRP CB C 13 29.596 0.3 . 1 . . . . . . . . 6340 1 947 . 1 1 84 84 TRP HB3 H 1 3.173 0.03 . 2 . . . . . . . . 6340 1 948 . 1 1 84 84 TRP HB2 H 1 3.050 0.03 . 2 . . . . . . . . 6340 1 949 . 1 1 84 84 TRP HD1 H 1 6.930 0.03 . 1 . . . . . . . . 6340 1 950 . 1 1 84 84 TRP NE1 N 15 129.419 0.3 . 1 . . . . . . . . 6340 1 951 . 1 1 84 84 TRP HE1 H 1 9.965 0.03 . 4 . . . . . . . . 6340 1 952 . 1 1 84 84 TRP HZ2 H 1 7.288 0.03 . 4 . . . . . . . . 6340 1 953 . 1 1 84 84 TRP C C 13 176.317 0.3 . 1 . . . . . . . . 6340 1 954 . 1 1 85 85 TRP N N 15 130.012 0.3 . 1 . . . . . . . . 6340 1 955 . 1 1 85 85 TRP H H 1 8.884 0.03 . 1 . . . . . . . . 6340 1 956 . 1 1 85 85 TRP CA C 13 55.406 0.3 . 1 . . . . . . . . 6340 1 957 . 1 1 85 85 TRP HA H 1 4.693 0.03 . 1 . . . . . . . . 6340 1 958 . 1 1 85 85 TRP CB C 13 29.548 0.3 . 1 . . . . . . . . 6340 1 959 . 1 1 85 85 TRP HB3 H 1 3.069 0.03 . 2 . . . . . . . . 6340 1 960 . 1 1 85 85 TRP HB2 H 1 2.897 0.03 . 2 . . . . . . . . 6340 1 961 . 1 1 85 85 TRP HD1 H 1 6.999 0.03 . 1 . . . . . . . . 6340 1 962 . 1 1 85 85 TRP NE1 N 15 129.068 0.3 . 1 . . . . . . . . 6340 1 963 . 1 1 85 85 TRP HE1 H 1 10.998 0.03 . 4 . . . . . . . . 6340 1 964 . 1 1 85 85 TRP HZ2 H 1 7.140 0.03 . 4 . . . . . . . . 6340 1 965 . 1 1 85 85 TRP C C 13 177.593 0.3 . 1 . . . . . . . . 6340 1 966 . 1 1 86 86 THR N N 15 114.481 0.3 . 1 . . . . . . . . 6340 1 967 . 1 1 86 86 THR H H 1 7.047 0.03 . 1 . . . . . . . . 6340 1 968 . 1 1 86 86 THR CA C 13 63.855 0.3 . 1 . . . . . . . . 6340 1 969 . 1 1 86 86 THR HA H 1 4.128 0.03 . 1 . . . . . . . . 6340 1 970 . 1 1 86 86 THR CB C 13 68.844 0.3 . 1 . . . . . . . . 6340 1 971 . 1 1 86 86 THR HB H 1 4.147 0.03 . 1 . . . . . . . . 6340 1 972 . 1 1 86 86 THR CG2 C 13 21.998 0.3 . 1 . . . . . . . . 6340 1 973 . 1 1 86 86 THR HG21 H 1 1.283 0.03 . 1 . . . . . . . . 6340 1 974 . 1 1 86 86 THR HG22 H 1 1.283 0.03 . 1 . . . . . . . . 6340 1 975 . 1 1 86 86 THR HG23 H 1 1.283 0.03 . 1 . . . . . . . . 6340 1 976 . 1 1 86 86 THR C C 13 172.438 0.3 . 1 . . . . . . . . 6340 1 977 . 1 1 87 87 ARG N N 15 114.459 0.3 . 1 . . . . . . . . 6340 1 978 . 1 1 87 87 ARG H H 1 6.937 0.03 . 1 . . . . . . . . 6340 1 979 . 1 1 87 87 ARG CA C 13 54.048 0.3 . 1 . . . . . . . . 6340 1 980 . 1 1 87 87 ARG HA H 1 4.517 0.03 . 1 . . . . . . . . 6340 1 981 . 1 1 87 87 ARG CB C 13 30.875 0.3 . 1 . . . . . . . . 6340 1 982 . 1 1 87 87 ARG HB3 H 1 1.784 0.03 . 2 . . . . . . . . 6340 1 983 . 1 1 87 87 ARG HB2 H 1 1.941 0.03 . 2 . . . . . . . . 6340 1 984 . 1 1 87 87 ARG CG C 13 25.453 0.3 . 1 . . . . . . . . 6340 1 985 . 1 1 87 87 ARG HG3 H 1 1.511 0.03 . 2 . . . . . . . . 6340 1 986 . 1 1 87 87 ARG HG2 H 1 1.144 0.03 . 2 . . . . . . . . 6340 1 987 . 1 1 87 87 ARG CD C 13 42.151 0.3 . 1 . . . . . . . . 6340 1 988 . 1 1 87 87 ARG HD3 H 1 2.728 0.03 . 2 . . . . . . . . 6340 1 989 . 1 1 87 87 ARG HD2 H 1 2.437 0.03 . 2 . . . . . . . . 6340 1 990 . 1 1 87 87 ARG C C 13 171.812 0.3 . 1 . . . . . . . . 6340 1 991 . 1 1 88 88 LEU N N 15 117.800 0.3 . 1 . . . . . . . . 6340 1 992 . 1 1 88 88 LEU H H 1 6.980 0.03 . 1 . . . . . . . . 6340 1 993 . 1 1 88 88 LEU CA C 13 57.585 0.3 . 1 . . . . . . . . 6340 1 994 . 1 1 88 88 LEU HA H 1 3.456 0.03 . 1 . . . . . . . . 6340 1 995 . 1 1 88 88 LEU CB C 13 41.104 0.3 . 1 . . . . . . . . 6340 1 996 . 1 1 88 88 LEU HB3 H 1 0.664 0.03 . 2 . . . . . . . . 6340 1 997 . 1 1 88 88 LEU HB2 H 1 -1.112 0.03 . 2 . . . . . . . . 6340 1 998 . 1 1 88 88 LEU CG C 13 25.749 0.3 . 1 . . . . . . . . 6340 1 999 . 1 1 88 88 LEU HG H 1 1.064 0.03 . 1 . . . . . . . . 6340 1 1000 . 1 1 88 88 LEU CD1 C 13 25.006 0.3 . 1 . . . . . . . . 6340 1 1001 . 1 1 88 88 LEU HD11 H 1 0.079 0.03 . 2 . . . . . . . . 6340 1 1002 . 1 1 88 88 LEU HD12 H 1 0.079 0.03 . 2 . . . . . . . . 6340 1 1003 . 1 1 88 88 LEU HD13 H 1 0.079 0.03 . 2 . . . . . . . . 6340 1 1004 . 1 1 88 88 LEU CD2 C 13 22.018 0.3 . 1 . . . . . . . . 6340 1 1005 . 1 1 88 88 LEU HD21 H 1 0.364 0.03 . 2 . . . . . . . . 6340 1 1006 . 1 1 88 88 LEU HD22 H 1 0.364 0.03 . 2 . . . . . . . . 6340 1 1007 . 1 1 88 88 LEU HD23 H 1 0.364 0.03 . 2 . . . . . . . . 6340 1 1008 . 1 1 88 88 LEU C C 13 176.956 0.3 . 1 . . . . . . . . 6340 1 1009 . 1 1 89 89 LEU N N 15 114.214 0.3 . 1 . . . . . . . . 6340 1 1010 . 1 1 89 89 LEU H H 1 7.930 0.03 . 1 . . . . . . . . 6340 1 1011 . 1 1 89 89 LEU CA C 13 53.452 0.3 . 1 . . . . . . . . 6340 1 1012 . 1 1 89 89 LEU HA H 1 4.601 0.03 . 1 . . . . . . . . 6340 1 1013 . 1 1 89 89 LEU CB C 13 42.811 0.3 . 1 . . . . . . . . 6340 1 1014 . 1 1 89 89 LEU HB3 H 1 1.531 0.03 . 2 . . . . . . . . 6340 1 1015 . 1 1 89 89 LEU HB2 H 1 1.476 0.03 . 2 . . . . . . . . 6340 1 1016 . 1 1 89 89 LEU CG C 13 27.216 0.3 . 1 . . . . . . . . 6340 1 1017 . 1 1 89 89 LEU HG H 1 1.521 0.03 . 1 . . . . . . . . 6340 1 1018 . 1 1 89 89 LEU CD1 C 13 25.316 0.3 . 1 . . . . . . . . 6340 1 1019 . 1 1 89 89 LEU HD11 H 1 0.874 0.03 . 2 . . . . . . . . 6340 1 1020 . 1 1 89 89 LEU HD12 H 1 0.874 0.03 . 2 . . . . . . . . 6340 1 1021 . 1 1 89 89 LEU HD13 H 1 0.874 0.03 . 2 . . . . . . . . 6340 1 1022 . 1 1 89 89 LEU CD2 C 13 23.700 0.3 . 1 . . . . . . . . 6340 1 1023 . 1 1 89 89 LEU HD21 H 1 0.842 0.03 . 2 . . . . . . . . 6340 1 1024 . 1 1 89 89 LEU HD22 H 1 0.842 0.03 . 2 . . . . . . . . 6340 1 1025 . 1 1 89 89 LEU HD23 H 1 0.842 0.03 . 2 . . . . . . . . 6340 1 1026 . 1 1 89 89 LEU C C 13 176.479 0.3 . 1 . . . . . . . . 6340 1 1027 . 1 1 90 90 LYS N N 15 119.800 0.3 . 1 . . . . . . . . 6340 1 1028 . 1 1 90 90 LYS H H 1 7.882 0.03 . 1 . . . . . . . . 6340 1 1029 . 1 1 90 90 LYS CA C 13 59.639 0.3 . 1 . . . . . . . . 6340 1 1030 . 1 1 90 90 LYS HA H 1 3.660 0.03 . 1 . . . . . . . . 6340 1 1031 . 1 1 90 90 LYS CB C 13 32.138 0.3 . 1 . . . . . . . . 6340 1 1032 . 1 1 90 90 LYS HB3 H 1 1.608 0.03 . 2 . . . . . . . . 6340 1 1033 . 1 1 90 90 LYS HB2 H 1 1.400 0.03 . 2 . . . . . . . . 6340 1 1034 . 1 1 90 90 LYS CG C 13 24.145 0.3 . 1 . . . . . . . . 6340 1 1035 . 1 1 90 90 LYS HG3 H 1 1.173 0.03 . 2 . . . . . . . . 6340 1 1036 . 1 1 90 90 LYS CD C 13 28.863 0.3 . 1 . . . . . . . . 6340 1 1037 . 1 1 90 90 LYS HD3 H 1 1.442 0.03 . 2 . . . . . . . . 6340 1 1038 . 1 1 90 90 LYS HD2 H 1 1.184 0.03 . 2 . . . . . . . . 6340 1 1039 . 1 1 90 90 LYS CE C 13 42.179 0.3 . 1 . . . . . . . . 6340 1 1040 . 1 1 90 90 LYS HE3 H 1 2.790 0.03 . 2 . . . . . . . . 6340 1 1041 . 1 1 90 90 LYS C C 13 178.912 0.3 . 1 . . . . . . . . 6340 1 1042 . 1 1 91 91 SER N N 15 112.714 0.3 . 1 . . . . . . . . 6340 1 1043 . 1 1 91 91 SER H H 1 8.333 0.03 . 1 . . . . . . . . 6340 1 1044 . 1 1 91 91 SER CA C 13 57.998 0.3 . 1 . . . . . . . . 6340 1 1045 . 1 1 91 91 SER HA H 1 4.185 0.03 . 1 . . . . . . . . 6340 1 1046 . 1 1 91 91 SER CB C 13 63.818 0.3 . 1 . . . . . . . . 6340 1 1047 . 1 1 91 91 SER HB3 H 1 3.937 0.03 . 2 . . . . . . . . 6340 1 1048 . 1 1 91 91 SER HB2 H 1 3.593 0.03 . 2 . . . . . . . . 6340 1 1049 . 1 1 91 91 SER C C 13 175.133 0.3 . 1 . . . . . . . . 6340 1 1050 . 1 1 92 92 GLU N N 15 124.354 0.3 . 1 . . . . . . . . 6340 1 1051 . 1 1 92 92 GLU H H 1 8.831 0.03 . 1 . . . . . . . . 6340 1 1052 . 1 1 92 92 GLU CA C 13 57.093 0.3 . 1 . . . . . . . . 6340 1 1053 . 1 1 92 92 GLU HA H 1 4.031 0.03 . 1 . . . . . . . . 6340 1 1054 . 1 1 92 92 GLU CB C 13 30.518 0.3 . 1 . . . . . . . . 6340 1 1055 . 1 1 92 92 GLU HB3 H 1 1.920 0.03 . 2 . . . . . . . . 6340 1 1056 . 1 1 92 92 GLU HB2 H 1 2.070 0.03 . 2 . . . . . . . . 6340 1 1057 . 1 1 92 92 GLU CG C 13 36.495 0.3 . 1 . . . . . . . . 6340 1 1058 . 1 1 92 92 GLU HG3 H 1 2.220 0.03 . 2 . . . . . . . . 6340 1 1059 . 1 1 92 92 GLU C C 13 176.824 0.3 . 1 . . . . . . . . 6340 1 1060 . 1 1 93 93 GLU N N 15 120.253 0.3 . 1 . . . . . . . . 6340 1 1061 . 1 1 93 93 GLU H H 1 8.093 0.03 . 1 . . . . . . . . 6340 1 1062 . 1 1 93 93 GLU CA C 13 56.380 0.3 . 1 . . . . . . . . 6340 1 1063 . 1 1 93 93 GLU HA H 1 4.090 0.03 . 1 . . . . . . . . 6340 1 1064 . 1 1 93 93 GLU CB C 13 30.360 0.3 . 1 . . . . . . . . 6340 1 1065 . 1 1 93 93 GLU HB3 H 1 1.806 0.03 . 2 . . . . . . . . 6340 1 1066 . 1 1 93 93 GLU HB2 H 1 1.973 0.03 . 2 . . . . . . . . 6340 1 1067 . 1 1 93 93 GLU CG C 13 36.477 0.3 . 1 . . . . . . . . 6340 1 1068 . 1 1 93 93 GLU HG3 H 1 2.227 0.03 . 2 . . . . . . . . 6340 1 1069 . 1 1 93 93 GLU HG2 H 1 2.215 0.03 . 2 . . . . . . . . 6340 1 1070 . 1 1 93 93 GLU C C 13 175.998 0.3 . 1 . . . . . . . . 6340 1 1071 . 1 1 94 94 LYS N N 15 125.081 0.3 . 1 . . . . . . . . 6340 1 1072 . 1 1 94 94 LYS H H 1 8.520 0.03 . 1 . . . . . . . . 6340 1 1073 . 1 1 94 94 LYS CA C 13 55.251 0.3 . 1 . . . . . . . . 6340 1 1074 . 1 1 94 94 LYS HA H 1 4.915 0.03 . 1 . . . . . . . . 6340 1 1075 . 1 1 94 94 LYS CB C 13 32.380 0.3 . 1 . . . . . . . . 6340 1 1076 . 1 1 94 94 LYS HB3 H 1 1.852 0.03 . 2 . . . . . . . . 6340 1 1077 . 1 1 94 94 LYS CE C 13 42.771 0.3 . 1 . . . . . . . . 6340 1 1078 . 1 1 95 95 PRO CA C 13 62.664 0.3 . 1 . . . . . . . . 6340 1 1079 . 1 1 95 95 PRO HA H 1 4.191 0.03 . 1 . . . . . . . . 6340 1 1080 . 1 1 95 95 PRO CB C 13 32.570 0.3 . 1 . . . . . . . . 6340 1 1081 . 1 1 95 95 PRO HB3 H 1 2.040 0.03 . 2 . . . . . . . . 6340 1 1082 . 1 1 95 95 PRO HB2 H 1 1.880 0.03 . 2 . . . . . . . . 6340 1 1083 . 1 1 95 95 PRO CG C 13 27.477 0.3 . 1 . . . . . . . . 6340 1 1084 . 1 1 95 95 PRO HG3 H 1 1.922 0.03 . 2 . . . . . . . . 6340 1 1085 . 1 1 95 95 PRO HG2 H 1 2.032 0.03 . 2 . . . . . . . . 6340 1 1086 . 1 1 95 95 PRO CD C 13 51.147 0.3 . 1 . . . . . . . . 6340 1 1087 . 1 1 95 95 PRO HD3 H 1 3.863 0.03 . 2 . . . . . . . . 6340 1 1088 . 1 1 95 95 PRO HD2 H 1 3.736 0.03 . 2 . . . . . . . . 6340 1 1089 . 1 1 95 95 PRO C C 13 175.803 0.3 . 1 . . . . . . . . 6340 1 1090 . 1 1 96 96 ALA N N 15 125.024 0.3 . 1 . . . . . . . . 6340 1 1091 . 1 1 96 96 ALA H H 1 8.166 0.03 . 1 . . . . . . . . 6340 1 1092 . 1 1 96 96 ALA CA C 13 50.957 0.3 . 1 . . . . . . . . 6340 1 1093 . 1 1 96 96 ALA HA H 1 4.355 0.03 . 1 . . . . . . . . 6340 1 1094 . 1 1 96 96 ALA CB C 13 18.666 0.3 . 1 . . . . . . . . 6340 1 1095 . 1 1 96 96 ALA HB1 H 1 1.180 0.03 . 1 . . . . . . . . 6340 1 1096 . 1 1 96 96 ALA HB2 H 1 1.180 0.03 . 1 . . . . . . . . 6340 1 1097 . 1 1 96 96 ALA HB3 H 1 1.180 0.03 . 1 . . . . . . . . 6340 1 1098 . 1 1 97 97 PRO CA C 13 64.950 0.3 . 1 . . . . . . . . 6340 1 1099 . 1 1 97 97 PRO HA H 1 4.364 0.03 . 1 . . . . . . . . 6340 1 1100 . 1 1 97 97 PRO CB C 13 32.234 0.3 . 1 . . . . . . . . 6340 1 1101 . 1 1 97 97 PRO HB3 H 1 2.378 0.03 . 2 . . . . . . . . 6340 1 1102 . 1 1 97 97 PRO HB2 H 1 2.068 0.03 . 2 . . . . . . . . 6340 1 1103 . 1 1 97 97 PRO CG C 13 27.803 0.3 . 1 . . . . . . . . 6340 1 1104 . 1 1 97 97 PRO HG3 H 1 2.106 0.03 . 2 . . . . . . . . 6340 1 1105 . 1 1 97 97 PRO CD C 13 50.873 0.3 . 1 . . . . . . . . 6340 1 1106 . 1 1 97 97 PRO HD3 H 1 3.614 0.03 . 2 . . . . . . . . 6340 1 1107 . 1 1 97 97 PRO HD2 H 1 3.523 0.03 . 2 . . . . . . . . 6340 1 1108 . 1 1 97 97 PRO C C 13 176.308 0.3 . 1 . . . . . . . . 6340 1 1109 . 1 1 98 98 TYR N N 15 111.917 0.3 . 1 . . . . . . . . 6340 1 1110 . 1 1 98 98 TYR H H 1 6.414 0.03 . 1 . . . . . . . . 6340 1 1111 . 1 1 98 98 TYR CA C 13 56.956 0.3 . 1 . . . . . . . . 6340 1 1112 . 1 1 98 98 TYR HA H 1 4.616 0.03 . 1 . . . . . . . . 6340 1 1113 . 1 1 98 98 TYR CB C 13 36.727 0.3 . 1 . . . . . . . . 6340 1 1114 . 1 1 98 98 TYR HB3 H 1 3.580 0.03 . 2 . . . . . . . . 6340 1 1115 . 1 1 98 98 TYR HB2 H 1 2.668 0.03 . 2 . . . . . . . . 6340 1 1116 . 1 1 98 98 TYR HD1 H 1 7.033 0.03 . 3 . . . . . . . . 6340 1 1117 . 1 1 98 98 TYR C C 13 172.701 0.3 . 1 . . . . . . . . 6340 1 1118 . 1 1 99 99 ILE N N 15 122.403 0.3 . 1 . . . . . . . . 6340 1 1119 . 1 1 99 99 ILE H H 1 7.274 0.03 . 1 . . . . . . . . 6340 1 1120 . 1 1 99 99 ILE CA C 13 60.724 0.3 . 1 . . . . . . . . 6340 1 1121 . 1 1 99 99 ILE HA H 1 4.673 0.03 . 1 . . . . . . . . 6340 1 1122 . 1 1 99 99 ILE CB C 13 37.591 0.3 . 1 . . . . . . . . 6340 1 1123 . 1 1 99 99 ILE HB H 1 1.632 0.03 . 1 . . . . . . . . 6340 1 1124 . 1 1 99 99 ILE CG1 C 13 27.804 0.3 . 2 . . . . . . . . 6340 1 1125 . 1 1 99 99 ILE HG13 H 1 0.652 0.03 . 1 . . . . . . . . 6340 1 1126 . 1 1 99 99 ILE HG12 H 1 0.236 0.03 . 1 . . . . . . . . 6340 1 1127 . 1 1 99 99 ILE CD1 C 13 14.364 0.3 . 1 . . . . . . . . 6340 1 1128 . 1 1 99 99 ILE HD11 H 1 0.568 0.03 . 1 . . . . . . . . 6340 1 1129 . 1 1 99 99 ILE HD12 H 1 0.568 0.03 . 1 . . . . . . . . 6340 1 1130 . 1 1 99 99 ILE HD13 H 1 0.568 0.03 . 1 . . . . . . . . 6340 1 1131 . 1 1 99 99 ILE CG2 C 13 17.568 0.3 . 1 . . . . . . . . 6340 1 1132 . 1 1 99 99 ILE HG21 H 1 0.545 0.03 . 1 . . . . . . . . 6340 1 1133 . 1 1 99 99 ILE HG22 H 1 0.545 0.03 . 1 . . . . . . . . 6340 1 1134 . 1 1 99 99 ILE HG23 H 1 0.545 0.03 . 1 . . . . . . . . 6340 1 1135 . 1 1 99 99 ILE C C 13 175.601 0.3 . 1 . . . . . . . . 6340 1 1136 . 1 1 100 100 LYS N N 15 127.961 0.3 . 1 . . . . . . . . 6340 1 1137 . 1 1 100 100 LYS H H 1 9.344 0.03 . 1 . . . . . . . . 6340 1 1138 . 1 1 100 100 LYS CA C 13 54.103 0.3 . 1 . . . . . . . . 6340 1 1139 . 1 1 100 100 LYS HA H 1 4.775 0.03 . 1 . . . . . . . . 6340 1 1140 . 1 1 100 100 LYS CB C 13 37.296 0.3 . 1 . . . . . . . . 6340 1 1141 . 1 1 100 100 LYS HB3 H 1 1.971 0.03 . 2 . . . . . . . . 6340 1 1142 . 1 1 100 100 LYS HB2 H 1 1.543 0.03 . 2 . . . . . . . . 6340 1 1143 . 1 1 100 100 LYS CG C 13 25.155 0.3 . 1 . . . . . . . . 6340 1 1144 . 1 1 100 100 LYS HG3 H 1 1.354 0.03 . 2 . . . . . . . . 6340 1 1145 . 1 1 100 100 LYS CD C 13 29.494 0.3 . 1 . . . . . . . . 6340 1 1146 . 1 1 100 100 LYS HD3 H 1 1.595 0.03 . 2 . . . . . . . . 6340 1 1147 . 1 1 100 100 LYS HD2 H 1 1.658 0.03 . 2 . . . . . . . . 6340 1 1148 . 1 1 100 100 LYS CE C 13 42.732 0.3 . 1 . . . . . . . . 6340 1 1149 . 1 1 100 100 LYS C C 13 174.926 0.3 . 1 . . . . . . . . 6340 1 1150 . 1 1 101 101 VAL N N 15 121.007 0.3 . 1 . . . . . . . . 6340 1 1151 . 1 1 101 101 VAL H H 1 8.041 0.03 . 1 . . . . . . . . 6340 1 1152 . 1 1 101 101 VAL CA C 13 63.353 0.3 . 1 . . . . . . . . 6340 1 1153 . 1 1 101 101 VAL HA H 1 3.209 0.03 . 1 . . . . . . . . 6340 1 1154 . 1 1 101 101 VAL CB C 13 32.833 0.3 . 1 . . . . . . . . 6340 1 1155 . 1 1 101 101 VAL HB H 1 0.730 0.03 . 1 . . . . . . . . 6340 1 1156 . 1 1 101 101 VAL CG2 C 13 21.481 0.3 . 1 . . . . . . . . 6340 1 1157 . 1 1 101 101 VAL HG21 H 1 0.115 0.03 . 2 . . . . . . . . 6340 1 1158 . 1 1 101 101 VAL HG22 H 1 0.115 0.03 . 2 . . . . . . . . 6340 1 1159 . 1 1 101 101 VAL HG23 H 1 0.115 0.03 . 2 . . . . . . . . 6340 1 1160 . 1 1 101 101 VAL CG1 C 13 19.474 0.3 . 1 . . . . . . . . 6340 1 1161 . 1 1 101 101 VAL HG11 H 1 -1.192 0.03 . 2 . . . . . . . . 6340 1 1162 . 1 1 101 101 VAL HG12 H 1 -1.192 0.03 . 2 . . . . . . . . 6340 1 1163 . 1 1 101 101 VAL HG13 H 1 -1.192 0.03 . 2 . . . . . . . . 6340 1 1164 . 1 1 101 101 VAL C C 13 175.396 0.3 . 1 . . . . . . . . 6340 1 1165 . 1 1 102 102 ASP N N 15 123.874 0.3 . 1 . . . . . . . . 6340 1 1166 . 1 1 102 102 ASP H H 1 8.765 0.03 . 1 . . . . . . . . 6340 1 1167 . 1 1 102 102 ASP CA C 13 51.541 0.3 . 1 . . . . . . . . 6340 1 1168 . 1 1 102 102 ASP HA H 1 4.420 0.03 . 1 . . . . . . . . 6340 1 1169 . 1 1 102 102 ASP CB C 13 39.543 0.3 . 1 . . . . . . . . 6340 1 1170 . 1 1 102 102 ASP HB3 H 1 2.715 0.03 . 2 . . . . . . . . 6340 1 1171 . 1 1 102 102 ASP HB2 H 1 1.926 0.03 . 2 . . . . . . . . 6340 1 1172 . 1 1 102 102 ASP C C 13 175.971 0.3 . 1 . . . . . . . . 6340 1 1173 . 1 1 103 103 TRP N N 15 125.988 0.3 . 1 . . . . . . . . 6340 1 1174 . 1 1 103 103 TRP H H 1 7.827 0.03 . 1 . . . . . . . . 6340 1 1175 . 1 1 103 103 TRP CA C 13 59.671 0.3 . 1 . . . . . . . . 6340 1 1176 . 1 1 103 103 TRP HA H 1 4.389 0.03 . 1 . . . . . . . . 6340 1 1177 . 1 1 103 103 TRP CB C 13 29.197 0.3 . 1 . . . . . . . . 6340 1 1178 . 1 1 103 103 TRP HB3 H 1 3.034 0.03 . 2 . . . . . . . . 6340 1 1179 . 1 1 103 103 TRP HB2 H 1 3.410 0.03 . 2 . . . . . . . . 6340 1 1180 . 1 1 103 103 TRP HD1 H 1 7.235 0.03 . 1 . . . . . . . . 6340 1 1181 . 1 1 103 103 TRP NE1 N 15 128.262 0.3 . 1 . . . . . . . . 6340 1 1182 . 1 1 103 103 TRP HE1 H 1 9.824 0.03 . 4 . . . . . . . . 6340 1 1183 . 1 1 103 103 TRP HZ2 H 1 7.235 0.03 . 4 . . . . . . . . 6340 1 1184 . 1 1 103 103 TRP C C 13 177.461 0.3 . 1 . . . . . . . . 6340 1 1185 . 1 1 104 104 ASN N N 15 115.877 0.3 . 1 . . . . . . . . 6340 1 1186 . 1 1 104 104 ASN H H 1 8.152 0.03 . 1 . . . . . . . . 6340 1 1187 . 1 1 104 104 ASN CA C 13 55.805 0.3 . 1 . . . . . . . . 6340 1 1188 . 1 1 104 104 ASN HA H 1 4.620 0.03 . 1 . . . . . . . . 6340 1 1189 . 1 1 104 104 ASN CB C 13 38.819 0.3 . 1 . . . . . . . . 6340 1 1190 . 1 1 104 104 ASN HB3 H 1 2.820 0.03 . 2 . . . . . . . . 6340 1 1191 . 1 1 104 104 ASN HB2 H 1 2.700 0.03 . 2 . . . . . . . . 6340 1 1192 . 1 1 104 104 ASN ND2 N 15 113.941 0.3 . 1 . . . . . . . . 6340 1 1193 . 1 1 104 104 ASN HD21 H 1 7.782 0.03 . 2 . . . . . . . . 6340 1 1194 . 1 1 104 104 ASN HD22 H 1 6.900 0.03 . 2 . . . . . . . . 6340 1 1195 . 1 1 104 104 ASN C C 13 176.122 0.3 . 1 . . . . . . . . 6340 1 1196 . 1 1 105 105 LYS N N 15 115.859 0.3 . 1 . . . . . . . . 6340 1 1197 . 1 1 105 105 LYS H H 1 6.898 0.03 . 1 . . . . . . . . 6340 1 1198 . 1 1 105 105 LYS CA C 13 55.883 0.3 . 1 . . . . . . . . 6340 1 1199 . 1 1 105 105 LYS HA H 1 4.420 0.03 . 1 . . . . . . . . 6340 1 1200 . 1 1 105 105 LYS CB C 13 35.762 0.3 . 1 . . . . . . . . 6340 1 1201 . 1 1 105 105 LYS HB3 H 1 1.475 0.03 . 2 . . . . . . . . 6340 1 1202 . 1 1 105 105 LYS HB2 H 1 1.128 0.03 . 2 . . . . . . . . 6340 1 1203 . 1 1 105 105 LYS CG C 13 25.205 0.3 . 1 . . . . . . . . 6340 1 1204 . 1 1 105 105 LYS HG3 H 1 0.897 0.03 . 2 . . . . . . . . 6340 1 1205 . 1 1 105 105 LYS HG2 H 1 1.110 0.03 . 2 . . . . . . . . 6340 1 1206 . 1 1 105 105 LYS CD C 13 28.284 0.3 . 1 . . . . . . . . 6340 1 1207 . 1 1 105 105 LYS HD3 H 1 1.196 0.03 . 2 . . . . . . . . 6340 1 1208 . 1 1 105 105 LYS HD2 H 1 0.771 0.03 . 2 . . . . . . . . 6340 1 1209 . 1 1 105 105 LYS CE C 13 41.464 0.3 . 1 . . . . . . . . 6340 1 1210 . 1 1 105 105 LYS HE3 H 1 2.337 0.03 . 2 . . . . . . . . 6340 1 1211 . 1 1 105 105 LYS C C 13 175.590 0.3 . 1 . . . . . . . . 6340 1 1212 . 1 1 106 106 TRP N N 15 122.336 0.3 . 1 . . . . . . . . 6340 1 1213 . 1 1 106 106 TRP H H 1 7.955 0.03 . 1 . . . . . . . . 6340 1 1214 . 1 1 106 106 TRP CA C 13 59.034 0.3 . 1 . . . . . . . . 6340 1 1215 . 1 1 106 106 TRP HA H 1 4.138 0.03 . 1 . . . . . . . . 6340 1 1216 . 1 1 106 106 TRP CB C 13 29.638 0.3 . 1 . . . . . . . . 6340 1 1217 . 1 1 106 106 TRP HB3 H 1 3.415 0.03 . 2 . . . . . . . . 6340 1 1218 . 1 1 106 106 TRP HB2 H 1 3.022 0.03 . 2 . . . . . . . . 6340 1 1219 . 1 1 106 106 TRP HD1 H 1 7.097 0.03 . 1 . . . . . . . . 6340 1 1220 . 1 1 106 106 TRP NE1 N 15 130.610 0.3 . 1 . . . . . . . . 6340 1 1221 . 1 1 106 106 TRP HE1 H 1 10.245 0.03 . 4 . . . . . . . . 6340 1 1222 . 1 1 106 106 TRP HZ2 H 1 7.597 0.03 . 4 . . . . . . . . 6340 1 1223 . 1 1 106 106 TRP C C 13 175.854 0.3 . 1 . . . . . . . . 6340 1 1224 . 1 1 107 107 CYS N N 15 124.185 0.3 . 1 . . . . . . . . 6340 1 1225 . 1 1 107 107 CYS H H 1 7.581 0.03 . 1 . . . . . . . . 6340 1 1226 . 1 1 107 107 CYS CA C 13 56.212 0.3 . 1 . . . . . . . . 6340 1 1227 . 1 1 107 107 CYS HA H 1 4.720 0.03 . 1 . . . . . . . . 6340 1 1228 . 1 1 107 107 CYS CB C 13 31.604 0.3 . 1 . . . . . . . . 6340 1 1229 . 1 1 107 107 CYS HB3 H 1 3.040 0.03 . 2 . . . . . . . . 6340 1 1230 . 1 1 107 107 CYS HB2 H 1 2.652 0.03 . 2 . . . . . . . . 6340 1 1231 . 1 1 107 107 CYS C C 13 171.295 0.3 . 1 . . . . . . . . 6340 1 1232 . 1 1 108 108 ASP N N 15 119.347 0.3 . 1 . . . . . . . . 6340 1 1233 . 1 1 108 108 ASP H H 1 8.585 0.03 . 1 . . . . . . . . 6340 1 1234 . 1 1 108 108 ASP CA C 13 53.944 0.3 . 1 . . . . . . . . 6340 1 1235 . 1 1 108 108 ASP HA H 1 4.790 0.03 . 1 . . . . . . . . 6340 1 1236 . 1 1 108 108 ASP CB C 13 42.255 0.3 . 1 . . . . . . . . 6340 1 1237 . 1 1 108 108 ASP HB3 H 1 2.432 0.03 . 2 . . . . . . . . 6340 1 1238 . 1 1 108 108 ASP HB2 H 1 2.740 0.03 . 2 . . . . . . . . 6340 1 1239 . 1 1 108 108 ASP C C 13 177.021 0.3 . 1 . . . . . . . . 6340 1 1240 . 1 1 109 109 GLU N N 15 122.063 0.3 . 1 . . . . . . . . 6340 1 1241 . 1 1 109 109 GLU H H 1 7.982 0.03 . 1 . . . . . . . . 6340 1 1242 . 1 1 109 109 GLU CA C 13 58.527 0.3 . 1 . . . . . . . . 6340 1 1243 . 1 1 109 109 GLU HA H 1 4.141 0.03 . 1 . . . . . . . . 6340 1 1244 . 1 1 109 109 GLU CB C 13 29.294 0.3 . 1 . . . . . . . . 6340 1 1245 . 1 1 109 109 GLU HB3 H 1 1.960 0.03 . 2 . . . . . . . . 6340 1 1246 . 1 1 109 109 GLU HB2 H 1 1.621 0.03 . 2 . . . . . . . . 6340 1 1247 . 1 1 109 109 GLU CG C 13 36.495 0.3 . 1 . . . . . . . . 6340 1 1248 . 1 1 109 109 GLU HG3 H 1 2.216 0.03 . 2 . . . . . . . . 6340 1 1249 . 1 1 109 109 GLU C C 13 177.447 0.3 . 1 . . . . . . . . 6340 1 1250 . 1 1 110 110 ASP N N 15 115.122 0.3 . 1 . . . . . . . . 6340 1 1251 . 1 1 110 110 ASP H H 1 8.048 0.03 . 1 . . . . . . . . 6340 1 1252 . 1 1 110 110 ASP CA C 13 54.843 0.3 . 1 . . . . . . . . 6340 1 1253 . 1 1 110 110 ASP HA H 1 4.274 0.03 . 1 . . . . . . . . 6340 1 1254 . 1 1 110 110 ASP CB C 13 40.198 0.3 . 1 . . . . . . . . 6340 1 1255 . 1 1 110 110 ASP HB3 H 1 2.557 0.03 . 2 . . . . . . . . 6340 1 1256 . 1 1 110 110 ASP HB2 H 1 2.547 0.03 . 2 . . . . . . . . 6340 1 1257 . 1 1 110 110 ASP C C 13 176.334 0.3 . 1 . . . . . . . . 6340 1 1258 . 1 1 111 111 GLU N N 15 118.522 0.3 . 1 . . . . . . . . 6340 1 1259 . 1 1 111 111 GLU H H 1 7.528 0.03 . 1 . . . . . . . . 6340 1 1260 . 1 1 111 111 GLU CA C 13 56.337 0.3 . 1 . . . . . . . . 6340 1 1261 . 1 1 111 111 GLU HA H 1 4.240 0.03 . 1 . . . . . . . . 6340 1 1262 . 1 1 111 111 GLU CB C 13 31.192 0.3 . 1 . . . . . . . . 6340 1 1263 . 1 1 111 111 GLU HB3 H 1 2.118 0.03 . 2 . . . . . . . . 6340 1 1264 . 1 1 111 111 GLU HB2 H 1 1.952 0.03 . 2 . . . . . . . . 6340 1 1265 . 1 1 111 111 GLU CG C 13 36.838 0.3 . 1 . . . . . . . . 6340 1 1266 . 1 1 111 111 GLU HG2 H 1 2.187 0.03 . 2 . . . . . . . . 6340 1 1267 . 1 1 111 111 GLU C C 13 176.948 0.3 . 1 . . . . . . . . 6340 1 1268 . 1 1 112 112 GLU N N 15 121.912 0.3 . 1 . . . . . . . . 6340 1 1269 . 1 1 112 112 GLU H H 1 7.596 0.03 . 1 . . . . . . . . 6340 1 1270 . 1 1 112 112 GLU CA C 13 58.179 0.3 . 1 . . . . . . . . 6340 1 1271 . 1 1 112 112 GLU HA H 1 4.142 0.03 . 1 . . . . . . . . 6340 1 1272 . 1 1 112 112 GLU CB C 13 30.142 0.3 . 1 . . . . . . . . 6340 1 1273 . 1 1 112 112 GLU HB3 H 1 1.959 0.03 . 2 . . . . . . . . 6340 1 1274 . 1 1 112 112 GLU HB2 H 1 2.149 0.03 . 2 . . . . . . . . 6340 1 1275 . 1 1 112 112 GLU CG C 13 36.468 0.3 . 1 . . . . . . . . 6340 1 1276 . 1 1 112 112 GLU C C 13 176.824 0.3 . 1 . . . . . . . . 6340 1 1277 . 1 1 113 113 VAL N N 15 120.337 0.3 . 1 . . . . . . . . 6340 1 1278 . 1 1 113 113 VAL H H 1 8.079 0.03 . 1 . . . . . . . . 6340 1 1279 . 1 1 113 113 VAL CA C 13 62.904 0.3 . 1 . . . . . . . . 6340 1 1280 . 1 1 113 113 VAL HA H 1 4.043 0.03 . 1 . . . . . . . . 6340 1 1281 . 1 1 113 113 VAL CB C 13 32.662 0.3 . 1 . . . . . . . . 6340 1 1282 . 1 1 113 113 VAL HB H 1 2.050 0.03 . 1 . . . . . . . . 6340 1 1283 . 1 1 113 113 VAL CG2 C 13 21.013 0.3 . 1 . . . . . . . . 6340 1 1284 . 1 1 113 113 VAL HG21 H 1 0.872 0.03 . 2 . . . . . . . . 6340 1 1285 . 1 1 113 113 VAL HG22 H 1 0.872 0.03 . 2 . . . . . . . . 6340 1 1286 . 1 1 113 113 VAL HG23 H 1 0.872 0.03 . 2 . . . . . . . . 6340 1 1287 . 1 1 113 113 VAL CG1 C 13 21.013 0.3 . 1 . . . . . . . . 6340 1 1288 . 1 1 113 113 VAL HG11 H 1 0.864 0.03 . 2 . . . . . . . . 6340 1 1289 . 1 1 113 113 VAL HG12 H 1 0.864 0.03 . 2 . . . . . . . . 6340 1 1290 . 1 1 113 113 VAL HG13 H 1 0.864 0.03 . 2 . . . . . . . . 6340 1 1291 . 1 1 113 113 VAL C C 13 175.946 0.3 . 1 . . . . . . . . 6340 1 1292 . 1 1 114 114 ASN N N 15 121.158 0.3 . 1 . . . . . . . . 6340 1 1293 . 1 1 114 114 ASN H H 1 8.233 0.03 . 1 . . . . . . . . 6340 1 1294 . 1 1 114 114 ASN CA C 13 53.607 0.3 . 1 . . . . . . . . 6340 1 1295 . 1 1 114 114 ASN HA H 1 4.770 0.03 . 1 . . . . . . . . 6340 1 1296 . 1 1 114 114 ASN CB C 13 39.360 0.3 . 1 . . . . . . . . 6340 1 1297 . 1 1 114 114 ASN HB3 H 1 2.860 0.03 . 2 . . . . . . . . 6340 1 1298 . 1 1 114 114 ASN HB2 H 1 2.720 0.03 . 2 . . . . . . . . 6340 1 1299 . 1 1 114 114 ASN ND2 N 15 113.109 0.3 . 1 . . . . . . . . 6340 1 1300 . 1 1 114 114 ASN HD21 H 1 7.595 0.03 . 2 . . . . . . . . 6340 1 1301 . 1 1 114 114 ASN HD22 H 1 6.905 0.03 . 2 . . . . . . . . 6340 1 1302 . 1 1 114 114 ASN C C 13 175.317 0.3 . 1 . . . . . . . . 6340 1 1303 . 1 1 115 115 SER N N 15 116.468 0.3 . 1 . . . . . . . . 6340 1 1304 . 1 1 115 115 SER H H 1 8.153 0.03 . 1 . . . . . . . . 6340 1 1305 . 1 1 115 115 SER CA C 13 58.847 0.3 . 1 . . . . . . . . 6340 1 1306 . 1 1 115 115 SER HA H 1 4.412 0.03 . 1 . . . . . . . . 6340 1 1307 . 1 1 115 115 SER CB C 13 63.984 0.3 . 1 . . . . . . . . 6340 1 1308 . 1 1 115 115 SER HB3 H 1 3.883 0.03 . 2 . . . . . . . . 6340 1 1309 . 1 1 115 115 SER HB2 H 1 3.836 0.03 . 2 . . . . . . . . 6340 1 1310 . 1 1 115 115 SER C C 13 173.605 0.3 . 1 . . . . . . . . 6340 1 1311 . 1 1 116 116 GLU N N 15 122.818 0.3 . 1 . . . . . . . . 6340 1 1312 . 1 1 116 116 GLU H H 1 8.537 0.03 . 1 . . . . . . . . 6340 1 1313 . 1 1 116 116 GLU CA C 13 57.239 0.3 . 1 . . . . . . . . 6340 1 1314 . 1 1 116 116 GLU HA H 1 4.315 0.03 . 1 . . . . . . . . 6340 1 1315 . 1 1 116 116 GLU CB C 13 30.347 0.3 . 1 . . . . . . . . 6340 1 1316 . 1 1 116 116 GLU HB3 H 1 2.054 0.03 . 2 . . . . . . . . 6340 1 1317 . 1 1 116 116 GLU HB2 H 1 1.936 0.03 . 2 . . . . . . . . 6340 1 1318 . 1 1 116 116 GLU CG C 13 36.544 0.3 . 1 . . . . . . . . 6340 1 1319 . 1 1 116 116 GLU HG3 H 1 2.254 0.03 . 2 . . . . . . . . 6340 1 1320 . 1 1 116 116 GLU C C 13 176.897 0.3 . 1 . . . . . . . . 6340 1 1321 . 1 1 117 117 THR N N 15 114.407 0.3 . 1 . . . . . . . . 6340 1 1322 . 1 1 117 117 THR H H 1 8.091 0.03 . 1 . . . . . . . . 6340 1 1323 . 1 1 117 117 THR CA C 13 62.111 0.3 . 1 . . . . . . . . 6340 1 1324 . 1 1 117 117 THR HA H 1 4.280 0.03 . 1 . . . . . . . . 6340 1 1325 . 1 1 117 117 THR CB C 13 70.031 0.3 . 1 . . . . . . . . 6340 1 1326 . 1 1 117 117 THR HB H 1 4.170 0.03 . 1 . . . . . . . . 6340 1 1327 . 1 1 117 117 THR CG2 C 13 21.881 0.3 . 1 . . . . . . . . 6340 1 1328 . 1 1 117 117 THR HG21 H 1 1.152 0.03 . 1 . . . . . . . . 6340 1 1329 . 1 1 117 117 THR HG22 H 1 1.152 0.03 . 1 . . . . . . . . 6340 1 1330 . 1 1 117 117 THR HG23 H 1 1.152 0.03 . 1 . . . . . . . . 6340 1 1331 . 1 1 117 117 THR C C 13 174.363 0.3 . 1 . . . . . . . . 6340 1 1332 . 1 1 118 118 ALA N N 15 126.672 0.3 . 1 . . . . . . . . 6340 1 1333 . 1 1 118 118 ALA H H 1 8.248 0.03 . 1 . . . . . . . . 6340 1 1334 . 1 1 118 118 ALA CA C 13 52.841 0.3 . 1 . . . . . . . . 6340 1 1335 . 1 1 118 118 ALA HA H 1 4.320 0.03 . 1 . . . . . . . . 6340 1 1336 . 1 1 118 118 ALA CB C 13 19.530 0.3 . 1 . . . . . . . . 6340 1 1337 . 1 1 118 118 ALA HB1 H 1 1.354 0.03 . 1 . . . . . . . . 6340 1 1338 . 1 1 118 118 ALA HB2 H 1 1.354 0.03 . 1 . . . . . . . . 6340 1 1339 . 1 1 118 118 ALA HB3 H 1 1.354 0.03 . 1 . . . . . . . . 6340 1 1340 . 1 1 118 118 ALA C C 13 177.748 0.3 . 1 . . . . . . . . 6340 1 1341 . 1 1 119 119 SER N N 15 115.313 0.3 . 1 . . . . . . . . 6340 1 1342 . 1 1 119 119 SER H H 1 8.294 0.03 . 1 . . . . . . . . 6340 1 1343 . 1 1 119 119 SER CA C 13 58.636 0.3 . 1 . . . . . . . . 6340 1 1344 . 1 1 119 119 SER HA H 1 4.383 0.03 . 1 . . . . . . . . 6340 1 1345 . 1 1 119 119 SER CB C 13 63.986 0.3 . 1 . . . . . . . . 6340 1 1346 . 1 1 119 119 SER HB3 H 1 3.832 0.03 . 2 . . . . . . . . 6340 1 1347 . 1 1 119 119 SER HB2 H 1 3.796 0.03 . 2 . . . . . . . . 6340 1 1348 . 1 1 119 119 SER C C 13 174.575 0.3 . 1 . . . . . . . . 6340 1 1349 . 1 1 120 120 ASP N N 15 122.365 0.3 . 1 . . . . . . . . 6340 1 1350 . 1 1 120 120 ASP H H 1 8.338 0.03 . 1 . . . . . . . . 6340 1 1351 . 1 1 120 120 ASP CA C 13 54.703 0.3 . 1 . . . . . . . . 6340 1 1352 . 1 1 120 120 ASP HA H 1 4.564 0.03 . 1 . . . . . . . . 6340 1 1353 . 1 1 120 120 ASP CB C 13 41.294 0.3 . 1 . . . . . . . . 6340 1 1354 . 1 1 120 120 ASP HB3 H 1 2.687 0.03 . 2 . . . . . . . . 6340 1 1355 . 1 1 120 120 ASP HB2 H 1 2.607 0.03 . 2 . . . . . . . . 6340 1 1356 . 1 1 120 120 ASP C C 13 175.651 0.3 . 1 . . . . . . . . 6340 1 1357 . 1 1 121 121 ASP N N 15 121.415 0.3 . 1 . . . . . . . . 6340 1 1358 . 1 1 121 121 ASP H H 1 8.285 0.03 . 1 . . . . . . . . 6340 1 1359 . 1 1 121 121 ASP CA C 13 55.079 0.3 . 1 . . . . . . . . 6340 1 1360 . 1 1 121 121 ASP HA H 1 4.287 0.03 . 1 . . . . . . . . 6340 1 1361 . 1 1 121 121 ASP CB C 13 41.401 0.3 . 1 . . . . . . . . 6340 1 1362 . 1 1 121 121 ASP HB3 H 1 2.688 0.03 . 2 . . . . . . . . 6340 1 1363 . 1 1 121 121 ASP HB2 H 1 2.612 0.03 . 2 . . . . . . . . 6340 1 1364 . 1 1 121 121 ASP C C 13 176.971 0.3 . 1 . . . . . . . . 6340 1 1365 . 1 1 122 122 GLU N N 15 121.159 0.3 . 1 . . . . . . . . 6340 1 1366 . 1 1 122 122 GLU H H 1 8.387 0.03 . 1 . . . . . . . . 6340 1 1367 . 1 1 122 122 GLU CA C 13 57.588 0.3 . 1 . . . . . . . . 6340 1 1368 . 1 1 122 122 GLU HA H 1 4.150 0.03 . 1 . . . . . . . . 6340 1 1369 . 1 1 122 122 GLU CB C 13 30.011 0.3 . 1 . . . . . . . . 6340 1 1370 . 1 1 122 122 GLU HB3 H 1 2.064 0.03 . 2 . . . . . . . . 6340 1 1371 . 1 1 122 122 GLU HB2 H 1 1.933 0.03 . 2 . . . . . . . . 6340 1 1372 . 1 1 122 122 GLU CG C 13 36.556 0.3 . 1 . . . . . . . . 6340 1 1373 . 1 1 122 122 GLU HG3 H 1 2.222 0.03 . 2 . . . . . . . . 6340 1 1374 . 1 1 122 122 GLU C C 13 176.347 0.3 . 1 . . . . . . . . 6340 1 1375 . 1 1 123 123 SER N N 15 116.178 0.3 . 1 . . . . . . . . 6340 1 1376 . 1 1 123 123 SER H H 1 8.238 0.03 . 1 . . . . . . . . 6340 1 1377 . 1 1 123 123 SER CA C 13 59.781 0.3 . 1 . . . . . . . . 6340 1 1378 . 1 1 123 123 SER HA H 1 4.248 0.03 . 1 . . . . . . . . 6340 1 1379 . 1 1 123 123 SER CB C 13 63.540 0.3 . 1 . . . . . . . . 6340 1 1380 . 1 1 123 123 SER HB3 H 1 3.837 0.03 . 2 . . . . . . . . 6340 1 1381 . 1 1 123 123 SER C C 13 174.770 0.3 . 1 . . . . . . . . 6340 1 1382 . 1 1 124 124 ALA N N 15 124.176 0.3 . 1 . . . . . . . . 6340 1 1383 . 1 1 124 124 ALA H H 1 7.971 0.03 . 1 . . . . . . . . 6340 1 1384 . 1 1 124 124 ALA CA C 13 53.118 0.3 . 1 . . . . . . . . 6340 1 1385 . 1 1 124 124 ALA HA H 1 4.140 0.03 . 1 . . . . . . . . 6340 1 1386 . 1 1 124 124 ALA CB C 13 19.131 0.3 . 1 . . . . . . . . 6340 1 1387 . 1 1 124 124 ALA HB1 H 1 1.143 0.03 . 1 . . . . . . . . 6340 1 1388 . 1 1 124 124 ALA HB2 H 1 1.143 0.03 . 1 . . . . . . . . 6340 1 1389 . 1 1 124 124 ALA HB3 H 1 1.143 0.03 . 1 . . . . . . . . 6340 1 1390 . 1 1 124 124 ALA C C 13 177.541 0.3 . 1 . . . . . . . . 6340 1 1391 . 1 1 125 125 PHE N N 15 117.631 0.3 . 1 . . . . . . . . 6340 1 1392 . 1 1 125 125 PHE H H 1 7.878 0.03 . 1 . . . . . . . . 6340 1 1393 . 1 1 125 125 PHE CA C 13 57.786 0.3 . 1 . . . . . . . . 6340 1 1394 . 1 1 125 125 PHE HA H 1 4.531 0.03 . 1 . . . . . . . . 6340 1 1395 . 1 1 125 125 PHE CB C 13 39.586 0.3 . 1 . . . . . . . . 6340 1 1396 . 1 1 125 125 PHE HB3 H 1 3.083 0.03 . 2 . . . . . . . . 6340 1 1397 . 1 1 125 125 PHE HB2 H 1 2.964 0.03 . 2 . . . . . . . . 6340 1 1398 . 1 1 125 125 PHE HD1 H 1 7.125 0.03 . 3 . . . . . . . . 6340 1 1399 . 1 1 125 125 PHE C C 13 175.730 0.3 . 1 . . . . . . . . 6340 1 1400 . 1 1 126 126 VAL N N 15 120.168 0.3 . 1 . . . . . . . . 6340 1 1401 . 1 1 126 126 VAL H H 1 7.822 0.03 . 1 . . . . . . . . 6340 1 1402 . 1 1 126 126 VAL CA C 13 62.361 0.3 . 1 . . . . . . . . 6340 1 1403 . 1 1 126 126 VAL HA H 1 4.034 0.03 . 1 . . . . . . . . 6340 1 1404 . 1 1 126 126 VAL CB C 13 33.223 0.3 . 1 . . . . . . . . 6340 1 1405 . 1 1 126 126 VAL HB H 1 1.983 0.03 . 1 . . . . . . . . 6340 1 1406 . 1 1 126 126 VAL CG2 C 13 21.060 0.3 . 1 . . . . . . . . 6340 1 1407 . 1 1 126 126 VAL HG21 H 1 0.870 0.03 . 2 . . . . . . . . 6340 1 1408 . 1 1 126 126 VAL HG22 H 1 0.870 0.03 . 2 . . . . . . . . 6340 1 1409 . 1 1 126 126 VAL HG23 H 1 0.870 0.03 . 2 . . . . . . . . 6340 1 1410 . 1 1 126 126 VAL CG1 C 13 20.842 0.3 . 1 . . . . . . . . 6340 1 1411 . 1 1 126 126 VAL HG11 H 1 0.862 0.03 . 2 . . . . . . . . 6340 1 1412 . 1 1 126 126 VAL HG12 H 1 0.862 0.03 . 2 . . . . . . . . 6340 1 1413 . 1 1 126 126 VAL HG13 H 1 0.862 0.03 . 2 . . . . . . . . 6340 1 1414 . 1 1 126 126 VAL C C 13 175.541 0.3 . 1 . . . . . . . . 6340 1 1415 . 1 1 127 127 ASN N N 15 122.063 0.3 . 1 . . . . . . . . 6340 1 1416 . 1 1 127 127 ASN H H 1 8.420 0.03 . 1 . . . . . . . . 6340 1 1417 . 1 1 127 127 ASN CA C 13 53.508 0.3 . 1 . . . . . . . . 6340 1 1418 . 1 1 127 127 ASN HA H 1 4.658 0.03 . 1 . . . . . . . . 6340 1 1419 . 1 1 127 127 ASN CB C 13 39.166 0.3 . 1 . . . . . . . . 6340 1 1420 . 1 1 127 127 ASN HB3 H 1 2.821 0.03 . 2 . . . . . . . . 6340 1 1421 . 1 1 127 127 ASN HB2 H 1 2.698 0.03 . 2 . . . . . . . . 6340 1 1422 . 1 1 127 127 ASN ND2 N 15 112.995 0.3 . 1 . . . . . . . . 6340 1 1423 . 1 1 127 127 ASN HD21 H 1 7.591 0.03 . 2 . . . . . . . . 6340 1 1424 . 1 1 127 127 ASN HD22 H 1 6.923 0.03 . 2 . . . . . . . . 6340 1 1425 . 1 1 127 127 ASN C C 13 174.034 0.3 . 1 . . . . . . . . 6340 1 1426 . 1 1 128 128 GLN N N 15 121.460 0.3 . 1 . . . . . . . . 6340 1 1427 . 1 1 128 128 GLN H H 1 8.365 0.03 . 1 . . . . . . . . 6340 1 1428 . 1 1 128 128 GLN CA C 13 56.295 0.3 . 1 . . . . . . . . 6340 1 1429 . 1 1 128 128 GLN HA H 1 4.289 0.03 . 1 . . . . . . . . 6340 1 1430 . 1 1 128 128 GLN CB C 13 29.828 0.3 . 1 . . . . . . . . 6340 1 1431 . 1 1 128 128 GLN HB3 H 1 1.918 0.03 . 2 . . . . . . . . 6340 1 1432 . 1 1 128 128 GLN HB2 H 1 2.063 0.03 . 2 . . . . . . . . 6340 1 1433 . 1 1 128 128 GLN CG C 13 33.929 0.3 . 1 . . . . . . . . 6340 1 1434 . 1 1 128 128 GLN HG2 H 1 2.301 0.03 . 2 . . . . . . . . 6340 1 1435 . 1 1 128 128 GLN NE2 N 15 112.300 0.3 . 1 . . . . . . . . 6340 1 1436 . 1 1 128 128 GLN HE21 H 1 6.797 0.03 . 2 . . . . . . . . 6340 1 1437 . 1 1 128 128 GLN HE22 H 1 7.487 0.03 . 2 . . . . . . . . 6340 1 1438 . 1 1 128 128 GLN C C 13 175.651 0.3 . 1 . . . . . . . . 6340 1 1439 . 1 1 129 129 ASP N N 15 121.415 0.3 . 1 . . . . . . . . 6340 1 1440 . 1 1 129 129 ASP H H 1 8.414 0.03 . 1 . . . . . . . . 6340 1 1441 . 1 1 129 129 ASP CA C 13 54.845 0.3 . 1 . . . . . . . . 6340 1 1442 . 1 1 129 129 ASP HA H 1 4.632 0.03 . 1 . . . . . . . . 6340 1 1443 . 1 1 129 129 ASP CB C 13 41.535 0.3 . 1 . . . . . . . . 6340 1 1444 . 1 1 129 129 ASP HB3 H 1 2.722 0.03 . 2 . . . . . . . . 6340 1 1445 . 1 1 129 129 ASP HB2 H 1 2.612 0.03 . 2 . . . . . . . . 6340 1 1446 . 1 1 129 129 ASP C C 13 177.346 0.3 . 1 . . . . . . . . 6340 1 1447 . 1 1 130 130 SER N N 15 116.028 0.3 . 1 . . . . . . . . 6340 1 1448 . 1 1 130 130 SER H H 1 8.225 0.03 . 1 . . . . . . . . 6340 1 1449 . 1 1 130 130 SER CA C 13 58.789 0.3 . 1 . . . . . . . . 6340 1 1450 . 1 1 130 130 SER HA H 1 4.409 0.03 . 1 . . . . . . . . 6340 1 1451 . 1 1 130 130 SER CB C 13 64.077 0.3 . 1 . . . . . . . . 6340 1 1452 . 1 1 130 130 SER HB3 H 1 3.855 0.03 . 2 . . . . . . . . 6340 1 1453 . 1 1 130 130 SER HB2 H 1 3.805 0.03 . 2 . . . . . . . . 6340 1 1454 . 1 1 130 130 SER C C 13 174.593 0.3 . 1 . . . . . . . . 6340 1 1455 . 1 1 131 131 GLU N N 15 122.516 0.3 . 1 . . . . . . . . 6340 1 1456 . 1 1 131 131 GLU H H 1 8.451 0.03 . 1 . . . . . . . . 6340 1 1457 . 1 1 131 131 GLU CA C 13 56.780 0.3 . 1 . . . . . . . . 6340 1 1458 . 1 1 131 131 GLU HA H 1 4.310 0.03 . 1 . . . . . . . . 6340 1 1459 . 1 1 131 131 GLU CB C 13 30.562 0.3 . 1 . . . . . . . . 6340 1 1460 . 1 1 131 131 GLU HB3 H 1 2.060 0.03 . 2 . . . . . . . . 6340 1 1461 . 1 1 131 131 GLU HB2 H 1 1.931 0.03 . 2 . . . . . . . . 6340 1 1462 . 1 1 131 131 GLU CG C 13 36.524 0.3 . 1 . . . . . . . . 6340 1 1463 . 1 1 131 131 GLU HG3 H 1 2.227 0.03 . 2 . . . . . . . . 6340 1 1464 . 1 1 131 131 GLU C C 13 176.457 0.3 . 1 . . . . . . . . 6340 1 1465 . 1 1 132 132 SER N N 15 116.631 0.3 . 1 . . . . . . . . 6340 1 1466 . 1 1 132 132 SER H H 1 8.314 0.03 . 1 . . . . . . . . 6340 1 1467 . 1 1 132 132 SER CA C 13 58.337 0.3 . 1 . . . . . . . . 6340 1 1468 . 1 1 132 132 SER HA H 1 4.497 0.03 . 1 . . . . . . . . 6340 1 1469 . 1 1 132 132 SER CB C 13 64.223 0.3 . 1 . . . . . . . . 6340 1 1470 . 1 1 132 132 SER HB3 H 1 3.845 0.03 . 1 . . . . . . . . 6340 1 1471 . 1 1 132 132 SER HB2 H 1 3.845 0.03 . 1 . . . . . . . . 6340 1 1472 . 1 1 132 132 SER C C 13 174.444 0.3 . 1 . . . . . . . . 6340 1 1473 . 1 1 133 133 SER N N 15 118.141 0.3 . 1 . . . . . . . . 6340 1 1474 . 1 1 133 133 SER H H 1 8.437 0.03 . 1 . . . . . . . . 6340 1 1475 . 1 1 133 133 SER CA C 13 58.337 0.3 . 1 . . . . . . . . 6340 1 1476 . 1 1 133 133 SER HA H 1 4.504 0.03 . 1 . . . . . . . . 6340 1 1477 . 1 1 133 133 SER CB C 13 64.223 0.3 . 1 . . . . . . . . 6340 1 1478 . 1 1 133 133 SER HB3 H 1 3.850 0.03 . 1 . . . . . . . . 6340 1 1479 . 1 1 133 133 SER HB2 H 1 3.850 0.03 . 1 . . . . . . . . 6340 1 1480 . 1 1 133 133 SER C C 13 174.338 0.3 . 1 . . . . . . . . 6340 1 1481 . 1 1 134 134 ASP N N 15 122.709 0.3 . 1 . . . . . . . . 6340 1 1482 . 1 1 134 134 ASP H H 1 8.407 0.03 . 1 . . . . . . . . 6340 1 1483 . 1 1 134 134 ASP CA C 13 54.785 0.3 . 1 . . . . . . . . 6340 1 1484 . 1 1 134 134 ASP HA H 1 4.617 0.03 . 1 . . . . . . . . 6340 1 1485 . 1 1 134 134 ASP CB C 13 41.495 0.3 . 1 . . . . . . . . 6340 1 1486 . 1 1 134 134 ASP HB3 H 1 2.594 0.03 . 2 . . . . . . . . 6340 1 1487 . 1 1 134 134 ASP HB2 H 1 2.677 0.03 . 2 . . . . . . . . 6340 1 1488 . 1 1 134 134 ASP C C 13 176.042 0.3 . 1 . . . . . . . . 6340 1 1489 . 1 1 135 135 ASP N N 15 120.554 0.3 . 1 . . . . . . . . 6340 1 1490 . 1 1 135 135 ASP H H 1 8.235 0.03 . 1 . . . . . . . . 6340 1 1491 . 1 1 135 135 ASP CA C 13 54.780 0.3 . 1 . . . . . . . . 6340 1 1492 . 1 1 135 135 ASP HA H 1 4.577 0.03 . 1 . . . . . . . . 6340 1 1493 . 1 1 135 135 ASP CB C 13 41.456 0.3 . 1 . . . . . . . . 6340 1 1494 . 1 1 135 135 ASP HB3 H 1 2.680 0.03 . 2 . . . . . . . . 6340 1 1495 . 1 1 135 135 ASP HB2 H 1 2.600 0.03 . 2 . . . . . . . . 6340 1 1496 . 1 1 135 135 ASP C C 13 176.159 0.3 . 1 . . . . . . . . 6340 1 1497 . 1 1 136 136 ASP N N 15 120.554 0.3 . 1 . . . . . . . . 6340 1 1498 . 1 1 136 136 ASP H H 1 8.209 0.03 . 1 . . . . . . . . 6340 1 1499 . 1 1 136 136 ASP CA C 13 54.949 0.3 . 1 . . . . . . . . 6340 1 1500 . 1 1 136 136 ASP HA H 1 4.505 0.03 . 1 . . . . . . . . 6340 1 1501 . 1 1 136 136 ASP CB C 13 41.347 0.3 . 1 . . . . . . . . 6340 1 1502 . 1 1 136 136 ASP HB3 H 1 2.690 0.03 . 2 . . . . . . . . 6340 1 1503 . 1 1 136 136 ASP HB2 H 1 2.600 0.03 . 2 . . . . . . . . 6340 1 1504 . 1 1 136 136 ASP C C 13 177.146 0.3 . 1 . . . . . . . . 6340 1 1505 . 1 1 137 137 GLY N N 15 108.884 0.3 . 1 . . . . . . . . 6340 1 1506 . 1 1 137 137 GLY H H 1 8.394 0.03 . 1 . . . . . . . . 6340 1 1507 . 1 1 137 137 GLY CA C 13 46.094 0.3 . 1 . . . . . . . . 6340 1 1508 . 1 1 137 137 GLY HA3 H 1 3.884 0.03 . 2 . . . . . . . . 6340 1 1509 . 1 1 137 137 GLY HA2 H 1 3.880 0.03 . 2 . . . . . . . . 6340 1 1510 . 1 1 137 137 GLY C C 13 174.706 0.3 . 1 . . . . . . . . 6340 1 1511 . 1 1 138 138 LEU N N 15 121.158 0.3 . 1 . . . . . . . . 6340 1 1512 . 1 1 138 138 LEU H H 1 7.982 0.03 . 1 . . . . . . . . 6340 1 1513 . 1 1 138 138 LEU CA C 13 55.611 0.3 . 1 . . . . . . . . 6340 1 1514 . 1 1 138 138 LEU HA H 1 4.245 0.03 . 1 . . . . . . . . 6340 1 1515 . 1 1 138 138 LEU CB C 13 42.248 0.3 . 1 . . . . . . . . 6340 1 1516 . 1 1 138 138 LEU HB3 H 1 1.460 0.03 . 2 . . . . . . . . 6340 1 1517 . 1 1 138 138 LEU HB2 H 1 1.364 0.03 . 2 . . . . . . . . 6340 1 1518 . 1 1 138 138 LEU CG C 13 27.163 0.3 . 1 . . . . . . . . 6340 1 1519 . 1 1 138 138 LEU HG H 1 1.524 0.03 . 1 . . . . . . . . 6340 1 1520 . 1 1 138 138 LEU CD1 C 13 25.038 0.3 . 1 . . . . . . . . 6340 1 1521 . 1 1 138 138 LEU HD11 H 1 0.815 0.03 . 2 . . . . . . . . 6340 1 1522 . 1 1 138 138 LEU HD12 H 1 0.815 0.03 . 2 . . . . . . . . 6340 1 1523 . 1 1 138 138 LEU HD13 H 1 0.815 0.03 . 2 . . . . . . . . 6340 1 1524 . 1 1 138 138 LEU CD2 C 13 23.804 0.3 . 1 . . . . . . . . 6340 1 1525 . 1 1 138 138 LEU HD21 H 1 0.850 0.03 . 2 . . . . . . . . 6340 1 1526 . 1 1 138 138 LEU HD22 H 1 0.850 0.03 . 2 . . . . . . . . 6340 1 1527 . 1 1 138 138 LEU HD23 H 1 0.850 0.03 . 2 . . . . . . . . 6340 1 1528 . 1 1 138 138 LEU C C 13 177.353 0.3 . 1 . . . . . . . . 6340 1 1529 . 1 1 139 139 LEU N N 15 121.309 0.3 . 1 . . . . . . . . 6340 1 1530 . 1 1 139 139 LEU H H 1 8.007 0.03 . 1 . . . . . . . . 6340 1 1531 . 1 1 139 139 LEU CA C 13 55.472 0.3 . 1 . . . . . . . . 6340 1 1532 . 1 1 139 139 LEU HA H 1 4.222 0.03 . 1 . . . . . . . . 6340 1 1533 . 1 1 139 139 LEU CB C 13 42.849 0.3 . 1 . . . . . . . . 6340 1 1534 . 1 1 139 139 LEU HB3 H 1 1.499 0.03 . 2 . . . . . . . . 6340 1 1535 . 1 1 139 139 LEU HB2 H 1 1.368 0.03 . 2 . . . . . . . . 6340 1 1536 . 1 1 139 139 LEU HG H 1 1.518 0.03 . 1 . . . . . . . . 6340 1 1537 . 1 1 139 139 LEU HD21 H 1 0.840 0.03 . 2 . . . . . . . . 6340 1 1538 . 1 1 139 139 LEU HD22 H 1 0.840 0.03 . 2 . . . . . . . . 6340 1 1539 . 1 1 139 139 LEU HD23 H 1 0.840 0.03 . 2 . . . . . . . . 6340 1 1540 . 1 1 139 139 LEU C C 13 176.651 0.3 . 1 . . . . . . . . 6340 1 1541 . 1 1 140 140 TYR N N 15 120.554 0.3 . 1 . . . . . . . . 6340 1 1542 . 1 1 140 140 TYR H H 1 8.016 0.03 . 1 . . . . . . . . 6340 1 1543 . 1 1 140 140 TYR CA C 13 57.476 0.3 . 1 . . . . . . . . 6340 1 1544 . 1 1 140 140 TYR HA H 1 4.567 0.03 . 1 . . . . . . . . 6340 1 1545 . 1 1 140 140 TYR CB C 13 38.845 0.3 . 1 . . . . . . . . 6340 1 1546 . 1 1 140 140 TYR HB3 H 1 2.987 0.03 . 2 . . . . . . . . 6340 1 1547 . 1 1 140 140 TYR HB2 H 1 2.868 0.03 . 2 . . . . . . . . 6340 1 1548 . 1 1 140 140 TYR HD1 H 1 7.074 0.03 . 3 . . . . . . . . 6340 1 1549 . 1 1 140 140 TYR C C 13 174.992 0.3 . 1 . . . . . . . . 6340 1 1550 . 1 1 141 141 LEU N N 15 125.685 0.3 . 1 . . . . . . . . 6340 1 1551 . 1 1 141 141 LEU H H 1 7.966 0.03 . 1 . . . . . . . . 6340 1 1552 . 1 1 141 141 LEU CA C 13 53.304 0.3 . 1 . . . . . . . . 6340 1 1553 . 1 1 141 141 LEU HA H 1 4.518 0.03 . 1 . . . . . . . . 6340 1 1554 . 1 1 141 141 LEU CB C 13 42.090 0.3 . 1 . . . . . . . . 6340 1 1555 . 1 1 141 141 LEU HB3 H 1 1.527 0.03 . 2 . . . . . . . . 6340 1 1556 . 1 1 141 141 LEU HB2 H 1 1.466 0.03 . 2 . . . . . . . . 6340 1 1557 . 1 1 141 141 LEU CG C 13 26.897 0.3 . 1 . . . . . . . . 6340 1 1558 . 1 1 141 141 LEU HG H 1 1.518 0.03 . 1 . . . . . . . . 6340 1 1559 . 1 1 141 141 LEU CD1 C 13 25.536 0.3 . 1 . . . . . . . . 6340 1 1560 . 1 1 141 141 LEU HD11 H 1 0.872 0.03 . 2 . . . . . . . . 6340 1 1561 . 1 1 141 141 LEU HD12 H 1 0.872 0.03 . 2 . . . . . . . . 6340 1 1562 . 1 1 141 141 LEU HD13 H 1 0.872 0.03 . 2 . . . . . . . . 6340 1 1563 . 1 1 141 141 LEU CD2 C 13 23.737 0.3 . 1 . . . . . . . . 6340 1 1564 . 1 1 141 141 LEU HD21 H 1 0.842 0.03 . 2 . . . . . . . . 6340 1 1565 . 1 1 141 141 LEU HD22 H 1 0.842 0.03 . 2 . . . . . . . . 6340 1 1566 . 1 1 141 141 LEU HD23 H 1 0.842 0.03 . 2 . . . . . . . . 6340 1 1567 . 1 1 142 142 PRO CA C 13 63.658 0.3 . 1 . . . . . . . . 6340 1 1568 . 1 1 142 142 PRO HA H 1 4.279 0.03 . 1 . . . . . . . . 6340 1 1569 . 1 1 142 142 PRO CB C 13 32.254 0.3 . 1 . . . . . . . . 6340 1 1570 . 1 1 142 142 PRO HB3 H 1 2.234 0.03 . 2 . . . . . . . . 6340 1 1571 . 1 1 142 142 PRO HB2 H 1 1.822 0.03 . 2 . . . . . . . . 6340 1 1572 . 1 1 142 142 PRO CG C 13 27.509 0.3 . 1 . . . . . . . . 6340 1 1573 . 1 1 142 142 PRO HG3 H 1 1.927 0.03 . 1 . . . . . . . . 6340 1 1574 . 1 1 142 142 PRO HG2 H 1 1.927 0.03 . 1 . . . . . . . . 6340 1 1575 . 1 1 142 142 PRO CD C 13 50.653 0.3 . 1 . . . . . . . . 6340 1 1576 . 1 1 142 142 PRO HD3 H 1 4.272 0.03 . 2 . . . . . . . . 6340 1 1577 . 1 1 142 142 PRO HD2 H 1 3.542 0.03 . 2 . . . . . . . . 6340 1 1578 . 1 1 142 142 PRO C C 13 176.844 0.3 . 1 . . . . . . . . 6340 1 1579 . 1 1 143 143 ASP N N 15 119.045 0.3 . 1 . . . . . . . . 6340 1 1580 . 1 1 143 143 ASP H H 1 8.262 0.03 . 1 . . . . . . . . 6340 1 1581 . 1 1 143 143 ASP CA C 13 54.902 0.3 . 1 . . . . . . . . 6340 1 1582 . 1 1 143 143 ASP HA H 1 4.509 0.03 . 1 . . . . . . . . 6340 1 1583 . 1 1 143 143 ASP CB C 13 41.020 0.3 . 1 . . . . . . . . 6340 1 1584 . 1 1 143 143 ASP HB3 H 1 2.689 0.03 . 2 . . . . . . . . 6340 1 1585 . 1 1 143 143 ASP HB2 H 1 2.600 0.03 . 2 . . . . . . . . 6340 1 1586 . 1 1 143 143 ASP C C 13 176.922 0.3 . 1 . . . . . . . . 6340 1 1587 . 1 1 144 144 LEU N N 15 122.516 0.3 . 1 . . . . . . . . 6340 1 1588 . 1 1 144 144 LEU H H 1 8.119 0.03 . 1 . . . . . . . . 6340 1 1589 . 1 1 144 144 LEU CA C 13 56.316 0.3 . 1 . . . . . . . . 6340 1 1590 . 1 1 144 144 LEU HA H 1 4.195 0.03 . 1 . . . . . . . . 6340 1 1591 . 1 1 144 144 LEU CB C 13 42.271 0.3 . 1 . . . . . . . . 6340 1 1592 . 1 1 144 144 LEU HB3 H 1 1.653 0.03 . 2 . . . . . . . . 6340 1 1593 . 1 1 144 144 LEU HB2 H 1 1.567 0.03 . 2 . . . . . . . . 6340 1 1594 . 1 1 144 144 LEU CG C 13 25.196 0.3 . 1 . . . . . . . . 6340 1 1595 . 1 1 144 144 LEU CD1 C 13 25.190 0.3 . 1 . . . . . . . . 6340 1 1596 . 1 1 144 144 LEU HD11 H 1 0.884 0.03 . 2 . . . . . . . . 6340 1 1597 . 1 1 144 144 LEU HD12 H 1 0.884 0.03 . 2 . . . . . . . . 6340 1 1598 . 1 1 144 144 LEU HD13 H 1 0.884 0.03 . 2 . . . . . . . . 6340 1 1599 . 1 1 144 144 LEU CD2 C 13 23.579 0.3 . 1 . . . . . . . . 6340 1 1600 . 1 1 144 144 LEU HD21 H 1 0.820 0.03 . 2 . . . . . . . . 6340 1 1601 . 1 1 144 144 LEU HD22 H 1 0.820 0.03 . 2 . . . . . . . . 6340 1 1602 . 1 1 144 144 LEU HD23 H 1 0.820 0.03 . 2 . . . . . . . . 6340 1 1603 . 1 1 144 144 LEU C C 13 178.108 0.3 . 1 . . . . . . . . 6340 1 1604 . 1 1 145 145 GLU N N 15 119.951 0.3 . 1 . . . . . . . . 6340 1 1605 . 1 1 145 145 GLU H H 1 8.210 0.03 . 1 . . . . . . . . 6340 1 1606 . 1 1 145 145 GLU CA C 13 57.514 0.3 . 1 . . . . . . . . 6340 1 1607 . 1 1 145 145 GLU HA H 1 4.143 0.03 . 1 . . . . . . . . 6340 1 1608 . 1 1 145 145 GLU CB C 13 30.083 0.3 . 1 . . . . . . . . 6340 1 1609 . 1 1 145 145 GLU HB3 H 1 2.045 0.03 . 2 . . . . . . . . 6340 1 1610 . 1 1 145 145 GLU HB2 H 1 1.940 0.03 . 2 . . . . . . . . 6340 1 1611 . 1 1 145 145 GLU CG C 13 36.462 0.3 . 1 . . . . . . . . 6340 1 1612 . 1 1 145 145 GLU HG3 H 1 2.220 0.03 . 2 . . . . . . . . 6340 1 1613 . 1 1 145 145 GLU C C 13 177.230 0.3 . 1 . . . . . . . . 6340 1 1614 . 1 1 146 146 LYS N N 15 120.404 0.3 . 1 . . . . . . . . 6340 1 1615 . 1 1 146 146 LYS H H 1 7.938 0.03 . 1 . . . . . . . . 6340 1 1616 . 1 1 146 146 LYS CA C 13 57.079 0.3 . 1 . . . . . . . . 6340 1 1617 . 1 1 146 146 LYS HA H 1 4.174 0.03 . 1 . . . . . . . . 6340 1 1618 . 1 1 146 146 LYS CB C 13 32.996 0.3 . 1 . . . . . . . . 6340 1 1619 . 1 1 146 146 LYS HB3 H 1 1.794 0.03 . 2 . . . . . . . . 6340 1 1620 . 1 1 146 146 LYS HB2 H 1 1.747 0.03 . 2 . . . . . . . . 6340 1 1621 . 1 1 146 146 LYS CG C 13 25.062 0.3 . 1 . . . . . . . . 6340 1 1622 . 1 1 146 146 LYS HG3 H 1 1.392 0.03 . 2 . . . . . . . . 6340 1 1623 . 1 1 146 146 LYS CD C 13 29.299 0.3 . 1 . . . . . . . . 6340 1 1624 . 1 1 146 146 LYS HD3 H 1 1.760 0.03 . 2 . . . . . . . . 6340 1 1625 . 1 1 146 146 LYS HD2 H 1 1.635 0.03 . 2 . . . . . . . . 6340 1 1626 . 1 1 146 146 LYS CE C 13 42.366 0.3 . 1 . . . . . . . . 6340 1 1627 . 1 1 146 146 LYS HE3 H 1 2.975 0.03 . 2 . . . . . . . . 6340 1 1628 . 1 1 146 146 LYS C C 13 176.776 0.3 . 1 . . . . . . . . 6340 1 1629 . 1 1 147 147 ALA N N 15 123.421 0.3 . 1 . . . . . . . . 6340 1 1630 . 1 1 147 147 ALA H H 1 8.041 0.03 . 1 . . . . . . . . 6340 1 1631 . 1 1 147 147 ALA CA C 13 52.949 0.3 . 1 . . . . . . . . 6340 1 1632 . 1 1 147 147 ALA HA H 1 4.230 0.03 . 1 . . . . . . . . 6340 1 1633 . 1 1 147 147 ALA CB C 13 19.296 0.3 . 1 . . . . . . . . 6340 1 1634 . 1 1 147 147 ALA HB1 H 1 1.373 0.03 . 1 . . . . . . . . 6340 1 1635 . 1 1 147 147 ALA HB2 H 1 1.373 0.03 . 1 . . . . . . . . 6340 1 1636 . 1 1 147 147 ALA HB3 H 1 1.373 0.03 . 1 . . . . . . . . 6340 1 1637 . 1 1 147 147 ALA C C 13 177.801 0.3 . 1 . . . . . . . . 6340 1 1638 . 1 1 148 148 ARG N N 15 119.347 0.3 . 1 . . . . . . . . 6340 1 1639 . 1 1 148 148 ARG H H 1 8.059 0.03 . 1 . . . . . . . . 6340 1 1640 . 1 1 148 148 ARG CA C 13 56.455 0.3 . 1 . . . . . . . . 6340 1 1641 . 1 1 148 148 ARG HA H 1 4.272 0.03 . 1 . . . . . . . . 6340 1 1642 . 1 1 148 148 ARG CB C 13 31.095 0.3 . 1 . . . . . . . . 6340 1 1643 . 1 1 148 148 ARG HB3 H 1 1.816 0.03 . 2 . . . . . . . . 6340 1 1644 . 1 1 148 148 ARG HB2 H 1 1.750 0.03 . 2 . . . . . . . . 6340 1 1645 . 1 1 148 148 ARG CG C 13 27.339 0.3 . 1 . . . . . . . . 6340 1 1646 . 1 1 148 148 ARG HG2 H 1 1.603 0.03 . 2 . . . . . . . . 6340 1 1647 . 1 1 148 148 ARG CD C 13 43.607 0.3 . 1 . . . . . . . . 6340 1 1648 . 1 1 148 148 ARG HD3 H 1 3.154 0.03 . 2 . . . . . . . . 6340 1 1649 . 1 1 148 148 ARG C C 13 176.113 0.3 . 1 . . . . . . . . 6340 1 1650 . 1 1 149 149 ASN N N 15 119.649 0.3 . 1 . . . . . . . . 6340 1 1651 . 1 1 149 149 ASN H H 1 8.287 0.03 . 1 . . . . . . . . 6340 1 1652 . 1 1 149 149 ASN CA C 13 53.578 0.3 . 1 . . . . . . . . 6340 1 1653 . 1 1 149 149 ASN HA H 1 4.679 0.03 . 1 . . . . . . . . 6340 1 1654 . 1 1 149 149 ASN CB C 13 39.168 0.3 . 1 . . . . . . . . 6340 1 1655 . 1 1 149 149 ASN HB3 H 1 2.819 0.03 . 2 . . . . . . . . 6340 1 1656 . 1 1 149 149 ASN HB2 H 1 2.710 0.03 . 2 . . . . . . . . 6340 1 1657 . 1 1 149 149 ASN ND2 N 15 113.050 0.3 . 1 . . . . . . . . 6340 1 1658 . 1 1 149 149 ASN HD21 H 1 7.592 0.03 . 2 . . . . . . . . 6340 1 1659 . 1 1 149 149 ASN HD22 H 1 6.908 0.03 . 2 . . . . . . . . 6340 1 1660 . 1 1 149 149 ASN C C 13 174.034 0.3 . 1 . . . . . . . . 6340 1 1661 . 1 1 150 150 LYS N N 15 126.054 0.3 . 1 . . . . . . . . 6340 1 1662 . 1 1 150 150 LYS H H 1 7.823 0.03 . 1 . . . . . . . . 6340 1 1663 . 1 1 150 150 LYS CA C 13 57.941 0.3 . 1 . . . . . . . . 6340 1 1664 . 1 1 150 150 LYS HA H 1 4.113 0.03 . 1 . . . . . . . . 6340 1 1665 . 1 1 150 150 LYS CB C 13 33.898 0.3 . 1 . . . . . . . . 6340 1 1666 . 1 1 150 150 LYS HB3 H 1 1.670 0.03 . 2 . . . . . . . . 6340 1 1667 . 1 1 150 150 LYS HB2 H 1 1.775 0.03 . 2 . . . . . . . . 6340 1 1668 . 1 1 150 150 LYS CG C 13 29.351 0.3 . 1 . . . . . . . . 6340 1 1669 . 1 1 150 150 LYS HG3 H 1 1.670 0.03 . 2 . . . . . . . . 6340 1 1670 . 1 1 150 150 LYS HG2 H 1 1.775 0.03 . 2 . . . . . . . . 6340 1 1671 . 1 1 150 150 LYS CD C 13 24.749 0.3 . 1 . . . . . . . . 6340 1 1672 . 1 1 150 150 LYS HD3 H 1 1.342 0.03 . 2 . . . . . . . . 6340 1 1673 . 1 1 150 150 LYS CE C 13 42.397 0.3 . 1 . . . . . . . . 6340 1 stop_ save_