data_6515 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6515 _Entry.Title ; Chemical Shift Assignments for At2g46140.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-18 _Entry.Accession_date 2005-02-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Jikui Song . . . 6515 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6515 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 638 6515 '15N chemical shifts' 164 6515 '1H chemical shifts' 933 6515 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 . . 2009-07-01 2005-02-18 update BMRB 'added time domain data' 6515 1 . . 2005-04-26 2005-02-18 original author 'original release' 6515 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6515 _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 . _Citation.Status 'in preparation' _Citation.Type journal _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 . 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 Jikui Song . . . 6515 1 2 Robert Tyler . C . 6515 1 3 Min Lee . S . 6515 1 4 John Markley . L . 6515 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6515 _Assembly.ID 1 _Assembly.Name At2g46140 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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_ _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 At2g46140 1 $At2g46140 . . yes native no no . . . 6515 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_At2g46140 _Entity.Sf_category entity _Entity.Sf_framecode At2g46140 _Entity.Entry_ID 6515 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name At2g46140 _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 ; GHHHHHHLEASADEKVVEEK ASVISSLLDKAKGFFAEKLA NIPTPEATVDDVDFKGVTRD GVDYHAKVSVKNPYSQSIPI CQISYILKSATRTIASGTIP DPGSLVGSGTTVLDVPVKVA YSIAVSLMKDMCTDWDIDYQ LDIGLTFDIPVVGDITIPVS TQGEIKLPSLRDFF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YYC . "Solution Structure Of A Putative Late Embryogenesis Abundant (Lea) Protein At2g46140.1" . . . . . 100.00 174 100.00 100.00 3.05e-121 . . . . 6515 1 2 no GB AAC62908 . "putative desiccation related protein [Arabidopsis thaliana]" . . . . . 94.83 166 100.00 100.00 7.84e-113 . . . . 6515 1 3 no GB AAM63814 . "putative desiccation related protein [Arabidopsis thaliana]" . . . . . 94.83 166 99.39 100.00 7.13e-112 . . . . 6515 1 4 no GB AAO42224 . "putative desiccation related protein [Arabidopsis thaliana]" . . . . . 94.83 166 100.00 100.00 7.84e-113 . . . . 6515 1 5 no GB AAO64093 . "putative desiccation related protein [Arabidopsis thaliana]" . . . . . 94.83 166 100.00 100.00 7.84e-113 . . . . 6515 1 6 no GB AEC10648 . "Late embryogenesis abundant protein [Arabidopsis thaliana]" . . . . . 94.83 166 100.00 100.00 7.84e-113 . . . . 6515 1 7 no REF NP_182137 . "Late embryogenesis abundant protein [Arabidopsis thaliana]" . . . . . 94.83 166 100.00 100.00 7.84e-113 . . . . 6515 1 8 no REF XP_002880219 . "hypothetical protein ARALYDRAFT_483759 [Arabidopsis lyrata subsp. lyrata]" . . . . . 94.83 166 98.79 99.39 1.30e-111 . . . . 6515 1 9 no REF XP_006295122 . "hypothetical protein CARUB_v10024196mg [Capsella rubella]" . . . . . 94.83 166 98.18 100.00 1.82e-111 . . . . 6515 1 10 no REF XP_010506612 . "PREDICTED: desiccation-related protein At2g46140-like [Camelina sativa]" . . . . . 94.83 166 96.97 98.18 1.46e-109 . . . . 6515 1 11 no REF XP_010508061 . "PREDICTED: desiccation-related protein At2g46140 [Camelina sativa]" . . . . . 94.83 166 97.58 98.79 1.22e-110 . . . . 6515 1 12 no SP O82355 . "RecName: Full=Desiccation-related protein At2g46140; AltName: Full=LEA type-2 family protein At2g46140 [Arabidopsis thaliana]" . . . . . 94.83 166 100.00 100.00 7.84e-113 . . . . 6515 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 . GLY . 6515 1 2 . HIS . 6515 1 3 . HIS . 6515 1 4 . HIS . 6515 1 5 . HIS . 6515 1 6 . HIS . 6515 1 7 . HIS . 6515 1 8 . LEU . 6515 1 9 . GLU . 6515 1 10 . ALA . 6515 1 11 . SER . 6515 1 12 . ALA . 6515 1 13 . ASP . 6515 1 14 . GLU . 6515 1 15 . LYS . 6515 1 16 . VAL . 6515 1 17 . VAL . 6515 1 18 . GLU . 6515 1 19 . GLU . 6515 1 20 . LYS . 6515 1 21 . ALA . 6515 1 22 . SER . 6515 1 23 . VAL . 6515 1 24 . ILE . 6515 1 25 . SER . 6515 1 26 . SER . 6515 1 27 . LEU . 6515 1 28 . LEU . 6515 1 29 . ASP . 6515 1 30 . LYS . 6515 1 31 . ALA . 6515 1 32 . LYS . 6515 1 33 . GLY . 6515 1 34 . PHE . 6515 1 35 . PHE . 6515 1 36 . ALA . 6515 1 37 . GLU . 6515 1 38 . LYS . 6515 1 39 . LEU . 6515 1 40 . ALA . 6515 1 41 . ASN . 6515 1 42 . ILE . 6515 1 43 . PRO . 6515 1 44 . THR . 6515 1 45 . PRO . 6515 1 46 . GLU . 6515 1 47 . ALA . 6515 1 48 . THR . 6515 1 49 . VAL . 6515 1 50 . ASP . 6515 1 51 . ASP . 6515 1 52 . VAL . 6515 1 53 . ASP . 6515 1 54 . PHE . 6515 1 55 . LYS . 6515 1 56 . GLY . 6515 1 57 . VAL . 6515 1 58 . THR . 6515 1 59 . ARG . 6515 1 60 . ASP . 6515 1 61 . GLY . 6515 1 62 . VAL . 6515 1 63 . ASP . 6515 1 64 . TYR . 6515 1 65 . HIS . 6515 1 66 . ALA . 6515 1 67 . LYS . 6515 1 68 . VAL . 6515 1 69 . SER . 6515 1 70 . VAL . 6515 1 71 . LYS . 6515 1 72 . ASN . 6515 1 73 . PRO . 6515 1 74 . TYR . 6515 1 75 . SER . 6515 1 76 . GLN . 6515 1 77 . SER . 6515 1 78 . ILE . 6515 1 79 . PRO . 6515 1 80 . ILE . 6515 1 81 . CYS . 6515 1 82 . GLN . 6515 1 83 . ILE . 6515 1 84 . SER . 6515 1 85 . TYR . 6515 1 86 . ILE . 6515 1 87 . LEU . 6515 1 88 . LYS . 6515 1 89 . SER . 6515 1 90 . ALA . 6515 1 91 . THR . 6515 1 92 . ARG . 6515 1 93 . THR . 6515 1 94 . ILE . 6515 1 95 . ALA . 6515 1 96 . SER . 6515 1 97 . GLY . 6515 1 98 . THR . 6515 1 99 . ILE . 6515 1 100 . PRO . 6515 1 101 . ASP . 6515 1 102 . PRO . 6515 1 103 . GLY . 6515 1 104 . SER . 6515 1 105 . LEU . 6515 1 106 . VAL . 6515 1 107 . GLY . 6515 1 108 . SER . 6515 1 109 . GLY . 6515 1 110 . THR . 6515 1 111 . THR . 6515 1 112 . VAL . 6515 1 113 . LEU . 6515 1 114 . ASP . 6515 1 115 . VAL . 6515 1 116 . PRO . 6515 1 117 . VAL . 6515 1 118 . LYS . 6515 1 119 . VAL . 6515 1 120 . ALA . 6515 1 121 . TYR . 6515 1 122 . SER . 6515 1 123 . ILE . 6515 1 124 . ALA . 6515 1 125 . VAL . 6515 1 126 . SER . 6515 1 127 . LEU . 6515 1 128 . MET . 6515 1 129 . LYS . 6515 1 130 . ASP . 6515 1 131 . MET . 6515 1 132 . CYS . 6515 1 133 . THR . 6515 1 134 . ASP . 6515 1 135 . TRP . 6515 1 136 . ASP . 6515 1 137 . ILE . 6515 1 138 . ASP . 6515 1 139 . TYR . 6515 1 140 . GLN . 6515 1 141 . LEU . 6515 1 142 . ASP . 6515 1 143 . ILE . 6515 1 144 . GLY . 6515 1 145 . LEU . 6515 1 146 . THR . 6515 1 147 . PHE . 6515 1 148 . ASP . 6515 1 149 . ILE . 6515 1 150 . PRO . 6515 1 151 . VAL . 6515 1 152 . VAL . 6515 1 153 . GLY . 6515 1 154 . ASP . 6515 1 155 . ILE . 6515 1 156 . THR . 6515 1 157 . ILE . 6515 1 158 . PRO . 6515 1 159 . VAL . 6515 1 160 . SER . 6515 1 161 . THR . 6515 1 162 . GLN . 6515 1 163 . GLY . 6515 1 164 . GLU . 6515 1 165 . ILE . 6515 1 166 . LYS . 6515 1 167 . LEU . 6515 1 168 . PRO . 6515 1 169 . SER . 6515 1 170 . LEU . 6515 1 171 . ARG . 6515 1 172 . ASP . 6515 1 173 . PHE . 6515 1 174 . PHE . 6515 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6515 1 . HIS 2 2 6515 1 . HIS 3 3 6515 1 . HIS 4 4 6515 1 . HIS 5 5 6515 1 . HIS 6 6 6515 1 . HIS 7 7 6515 1 . LEU 8 8 6515 1 . GLU 9 9 6515 1 . ALA 10 10 6515 1 . SER 11 11 6515 1 . ALA 12 12 6515 1 . ASP 13 13 6515 1 . GLU 14 14 6515 1 . LYS 15 15 6515 1 . VAL 16 16 6515 1 . VAL 17 17 6515 1 . GLU 18 18 6515 1 . GLU 19 19 6515 1 . LYS 20 20 6515 1 . ALA 21 21 6515 1 . SER 22 22 6515 1 . VAL 23 23 6515 1 . ILE 24 24 6515 1 . SER 25 25 6515 1 . SER 26 26 6515 1 . LEU 27 27 6515 1 . LEU 28 28 6515 1 . ASP 29 29 6515 1 . LYS 30 30 6515 1 . ALA 31 31 6515 1 . LYS 32 32 6515 1 . GLY 33 33 6515 1 . PHE 34 34 6515 1 . PHE 35 35 6515 1 . ALA 36 36 6515 1 . GLU 37 37 6515 1 . LYS 38 38 6515 1 . LEU 39 39 6515 1 . ALA 40 40 6515 1 . ASN 41 41 6515 1 . ILE 42 42 6515 1 . PRO 43 43 6515 1 . THR 44 44 6515 1 . PRO 45 45 6515 1 . GLU 46 46 6515 1 . ALA 47 47 6515 1 . THR 48 48 6515 1 . VAL 49 49 6515 1 . ASP 50 50 6515 1 . ASP 51 51 6515 1 . VAL 52 52 6515 1 . ASP 53 53 6515 1 . PHE 54 54 6515 1 . LYS 55 55 6515 1 . GLY 56 56 6515 1 . VAL 57 57 6515 1 . THR 58 58 6515 1 . ARG 59 59 6515 1 . ASP 60 60 6515 1 . GLY 61 61 6515 1 . VAL 62 62 6515 1 . ASP 63 63 6515 1 . TYR 64 64 6515 1 . HIS 65 65 6515 1 . ALA 66 66 6515 1 . LYS 67 67 6515 1 . VAL 68 68 6515 1 . SER 69 69 6515 1 . VAL 70 70 6515 1 . LYS 71 71 6515 1 . ASN 72 72 6515 1 . PRO 73 73 6515 1 . TYR 74 74 6515 1 . SER 75 75 6515 1 . GLN 76 76 6515 1 . SER 77 77 6515 1 . ILE 78 78 6515 1 . PRO 79 79 6515 1 . ILE 80 80 6515 1 . CYS 81 81 6515 1 . GLN 82 82 6515 1 . ILE 83 83 6515 1 . SER 84 84 6515 1 . TYR 85 85 6515 1 . ILE 86 86 6515 1 . LEU 87 87 6515 1 . LYS 88 88 6515 1 . SER 89 89 6515 1 . ALA 90 90 6515 1 . THR 91 91 6515 1 . ARG 92 92 6515 1 . THR 93 93 6515 1 . ILE 94 94 6515 1 . ALA 95 95 6515 1 . SER 96 96 6515 1 . GLY 97 97 6515 1 . THR 98 98 6515 1 . ILE 99 99 6515 1 . PRO 100 100 6515 1 . ASP 101 101 6515 1 . PRO 102 102 6515 1 . GLY 103 103 6515 1 . SER 104 104 6515 1 . LEU 105 105 6515 1 . VAL 106 106 6515 1 . GLY 107 107 6515 1 . SER 108 108 6515 1 . GLY 109 109 6515 1 . THR 110 110 6515 1 . THR 111 111 6515 1 . VAL 112 112 6515 1 . LEU 113 113 6515 1 . ASP 114 114 6515 1 . VAL 115 115 6515 1 . PRO 116 116 6515 1 . VAL 117 117 6515 1 . LYS 118 118 6515 1 . VAL 119 119 6515 1 . ALA 120 120 6515 1 . TYR 121 121 6515 1 . SER 122 122 6515 1 . ILE 123 123 6515 1 . ALA 124 124 6515 1 . VAL 125 125 6515 1 . SER 126 126 6515 1 . LEU 127 127 6515 1 . MET 128 128 6515 1 . LYS 129 129 6515 1 . ASP 130 130 6515 1 . MET 131 131 6515 1 . CYS 132 132 6515 1 . THR 133 133 6515 1 . ASP 134 134 6515 1 . TRP 135 135 6515 1 . ASP 136 136 6515 1 . ILE 137 137 6515 1 . ASP 138 138 6515 1 . TYR 139 139 6515 1 . GLN 140 140 6515 1 . LEU 141 141 6515 1 . ASP 142 142 6515 1 . ILE 143 143 6515 1 . GLY 144 144 6515 1 . LEU 145 145 6515 1 . THR 146 146 6515 1 . PHE 147 147 6515 1 . ASP 148 148 6515 1 . ILE 149 149 6515 1 . PRO 150 150 6515 1 . VAL 151 151 6515 1 . VAL 152 152 6515 1 . GLY 153 153 6515 1 . ASP 154 154 6515 1 . ILE 155 155 6515 1 . THR 156 156 6515 1 . ILE 157 157 6515 1 . PRO 158 158 6515 1 . VAL 159 159 6515 1 . SER 160 160 6515 1 . THR 161 161 6515 1 . GLN 162 162 6515 1 . GLY 163 163 6515 1 . GLU 164 164 6515 1 . ILE 165 165 6515 1 . LYS 166 166 6515 1 . LEU 167 167 6515 1 . PRO 168 168 6515 1 . SER 169 169 6515 1 . LEU 170 170 6515 1 . ARG 171 171 6515 1 . ASP 172 172 6515 1 . PHE 173 173 6515 1 . PHE 174 174 6515 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 6515 _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 $At2g46140 . 3702 organism . 'Arabidopsis Thaliana' 'Arabidopsis Thaliana' . . Eukaryota Viridiplantae Arabidopsis Thaliana . . . . . . . . . . . . . . . . . . . . . 6515 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 6515 _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 $At2g46140 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6515 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6515 _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 At2g46140 '[U-13C; U-15N]' . . 1 $At2g46140 . . 0.4 . . mM . . . . 6515 1 2 NaCl . . . . . . . 100 . . mM . . . . 6515 1 3 DTT . . . . . . . 10 . . mM . . . . 6515 1 4 Bis-Tris . . . . . . . 10 . . mM . . . . 6515 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6515 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 6515 1 pressure 1 0.1 atm 6515 1 temperature 298 0.1 K 6515 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600III _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600III _NMR_spectrometer.Entry_ID 6515 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ save_500II _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500II _NMR_spectrometer.Entry_ID 6515 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '500 MHz' save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6515 _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 HNCACB yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 2 HNCOCACB yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 3 HNCO yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 4 HCCHTOCSY yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 5 CCONH yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 6 HCCONH yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 7 '3D N15NOESY' yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 8 '3D C13NOESY' yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 9 'N15 HSQC' yes 9 . . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 1 10 HBACONH yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6515 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 6515 _NMR_spec_expt.ID 1 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncacb/2/' . . . . . . . 6515 1 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncacb/2/pdata/1/' . . . . . . . 6515 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncacb/2/' . . . . . . . 6515 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncacb/2/' . . . . . . . 6515 1 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncacb/2/' . . . . . . . 6515 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 6515 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCOCACB _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncocacb/4/' . . . . . . . 6515 2 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncocacb/4/pdata/1/' . . . . . . . 6515 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncocacb/4/' . . . . . . . 6515 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncocacb/4/' . . . . . . . 6515 2 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hncocacb/4/' . . . . . . . 6515 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 6515 _NMR_spec_expt.ID 3 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hnco/9/' . . . . . . . 6515 3 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hnco/9/pdata/1/' . . . . . . . 6515 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hnco/9/' . . . . . . . 6515 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hnco/9/' . . . . . . . 6515 3 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hnco/9/' . . . . . . . 6515 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 6515 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCCHTOCSY _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcchtoc/13/' . . . . . . . 6515 4 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcchtoc/13/pdata/1/' . . . . . . . 6515 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcchtoc/13/' . . . . . . . 6515 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcchtoc/13/' . . . . . . . 6515 4 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcchtoc/13/' . . . . . . . 6515 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 6515 _NMR_spec_expt.ID 5 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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/bmr6515/timedomain_data/at2g46140_cconh.fid/' . . . . . . . 6515 5 new_gc_co_nhA.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_cconh.fid/' . . . . . . . 6515 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_cconh.fid/' . . . . . . . 6515 5 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_cconh.fid/' . . . . . . . 6515 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 6515 _NMR_spec_expt.ID 6 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcconh/6/' . . . . . . . 6515 6 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcconh/6/pdata/1/' . . . . . . . 6515 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcconh/6/' . . . . . . . 6515 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcconh/6/' . . . . . . . 6515 6 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hcconh/6/' . . . . . . . 6515 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 6515 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D N15NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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/bmr6515/timedomain_data/at2g46140_n15noe.fid/' . . . . . . . 6515 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_n15noe.fid/' . . . . . . . 6515 7 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_n15noe.fid/' . . . . . . . 6515 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 6515 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D C13NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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/bmr6515/timedomain_data/at2g46140_c13noe.fid/' . . . . . . . 6515 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_c13noe.fid/' . . . . . . . 6515 8 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_c13noe.fid/' . . . . . . . 6515 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 6515 _NMR_spec_expt.ID 9 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_Nhsqc.fid/' . . . . . . . 6515 9 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_Nhsqc.fid/pdata/1/' . . . . . . . 6515 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_Nhsqc.fid/' . . . . . . . 6515 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_Nhsqc.fid/' . . . . . . . 6515 9 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_Nhsqc.fid/' . . . . . . . 6515 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 6515 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBACONH _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hbaconh/4/' . . . . . . . 6515 10 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hbaconh/4/pdata/1/' . . . . . . . 6515 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hbaconh/4/' . . . . . . . 6515 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hbaconh/4/' . . . . . . . 6515 10 . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6515/timedomain_data/at2g46140_hbaconh/4/' . . . . . . . 6515 10 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6515 _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 . . . . . . . . . 6515 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6515 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6515 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6515 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 9 'N15 HSQC' 1 $sample_1 isotropic 6515 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 7 7 HIS HA H 1 4.579 0.05 . 1 . . . . 7 H HA . 6515 1 2 . 1 1 7 7 HIS HB3 H 1 3.084 0.05 . 2 . . . . 7 H HB3 . 6515 1 3 . 1 1 7 7 HIS C C 13 174.024 0.15 . 1 . . . . 7 H C . 6515 1 4 . 1 1 7 7 HIS CA C 13 56.348 0.15 . 1 . . . . 7 H CA . 6515 1 5 . 1 1 7 7 HIS CB C 13 30.183 0.15 . 1 . . . . 7 H CB . 6515 1 6 . 1 1 8 8 LEU H H 1 8.256 0.05 . 1 . . . . 8 L H . 6515 1 7 . 1 1 8 8 LEU HA H 1 4.286 0.05 . 1 . . . . 8 L HA . 6515 1 8 . 1 1 8 8 LEU HB3 H 1 1.574 0.05 . 2 . . . . 8 L HB3 . 6515 1 9 . 1 1 8 8 LEU HG H 1 1.448 0.05 . 1 . . . . 8 L HG . 6515 1 10 . 1 1 8 8 LEU HD11 H 1 0.834 0.05 . 2 . . . . 8 L HD1 . 6515 1 11 . 1 1 8 8 LEU HD12 H 1 0.834 0.05 . 2 . . . . 8 L HD1 . 6515 1 12 . 1 1 8 8 LEU HD13 H 1 0.834 0.05 . 2 . . . . 8 L HD1 . 6515 1 13 . 1 1 8 8 LEU HD21 H 1 0.871 0.05 . 2 . . . . 8 L HD2 . 6515 1 14 . 1 1 8 8 LEU HD22 H 1 0.871 0.05 . 2 . . . . 8 L HD2 . 6515 1 15 . 1 1 8 8 LEU HD23 H 1 0.871 0.05 . 2 . . . . 8 L HD2 . 6515 1 16 . 1 1 8 8 LEU C C 13 176.183 0.15 . 1 . . . . 8 L C . 6515 1 17 . 1 1 8 8 LEU CA C 13 55.476 0.15 . 1 . . . . 8 L CA . 6515 1 18 . 1 1 8 8 LEU CB C 13 42.311 0.15 . 1 . . . . 8 L CB . 6515 1 19 . 1 1 8 8 LEU CG C 13 26.782 0.15 . 1 . . . . 8 L CG . 6515 1 20 . 1 1 8 8 LEU CD1 C 13 23.615 0.15 . 1 . . . . 8 L CD1 . 6515 1 21 . 1 1 8 8 LEU CD2 C 13 25.011 0.15 . 1 . . . . 8 L CD2 . 6515 1 22 . 1 1 8 8 LEU N N 15 123.753 0.10 . 1 . . . . 8 L N . 6515 1 23 . 1 1 9 9 GLU H H 1 8.395 0.05 . 1 . . . . 9 E H . 6515 1 24 . 1 1 9 9 GLU HA H 1 4.277 0.05 . 1 . . . . 9 E HA . 6515 1 25 . 1 1 9 9 GLU HB2 H 1 1.980 0.05 . 2 . . . . 9 E HB2 . 6515 1 26 . 1 1 9 9 GLU HB3 H 1 2.090 0.05 . 2 . . . . 9 E HB3 . 6515 1 27 . 1 1 9 9 GLU HG2 H 1 2.302 0.05 . 2 . . . . 9 E HG2 . 6515 1 28 . 1 1 9 9 GLU C C 13 175.174 0.15 . 1 . . . . 9 E C . 6515 1 29 . 1 1 9 9 GLU CA C 13 56.543 0.15 . 1 . . . . 9 E CA . 6515 1 30 . 1 1 9 9 GLU CB C 13 30.271 0.15 . 1 . . . . 9 E CB . 6515 1 31 . 1 1 9 9 GLU CG C 13 36.271 0.15 . 1 . . . . 9 E CG . 6515 1 32 . 1 1 9 9 GLU N N 15 121.846 0.10 . 1 . . . . 9 E N . 6515 1 33 . 1 1 10 10 ALA H H 1 8.335 0.05 . 1 . . . . 10 A H . 6515 1 34 . 1 1 10 10 ALA HA H 1 4.420 0.05 . 1 . . . . 10 A HA . 6515 1 35 . 1 1 10 10 ALA HB1 H 1 1.384 0.05 . 1 . . . . 10 A HB . 6515 1 36 . 1 1 10 10 ALA HB2 H 1 1.384 0.05 . 1 . . . . 10 A HB . 6515 1 37 . 1 1 10 10 ALA HB3 H 1 1.384 0.05 . 1 . . . . 10 A HB . 6515 1 38 . 1 1 10 10 ALA C C 13 176.946 0.15 . 1 . . . . 10 A C . 6515 1 39 . 1 1 10 10 ALA CA C 13 52.815 0.15 . 1 . . . . 10 A CA . 6515 1 40 . 1 1 10 10 ALA CB C 13 19.244 0.15 . 1 . . . . 10 A CB . 6515 1 41 . 1 1 10 10 ALA N N 15 125.326 0.10 . 1 . . . . 10 A N . 6515 1 42 . 1 1 11 11 SER H H 1 8.412 0.05 . 1 . . . . 11 S H . 6515 1 43 . 1 1 11 11 SER HA H 1 4.401 0.05 . 1 . . . . 11 S HA . 6515 1 44 . 1 1 11 11 SER HB2 H 1 3.970 0.05 . 2 . . . . 11 S HB2 . 6515 1 45 . 1 1 11 11 SER HB3 H 1 4.114 0.05 . 2 . . . . 11 S HB3 . 6515 1 46 . 1 1 11 11 SER C C 13 174.206 0.15 . 1 . . . . 11 S C . 6515 1 47 . 1 1 11 11 SER CA C 13 58.994 0.15 . 1 . . . . 11 S CA . 6515 1 48 . 1 1 11 11 SER CB C 13 64.000 0.15 . 1 . . . . 11 S CB . 6515 1 49 . 1 1 11 11 SER N N 15 115.852 0.10 . 1 . . . . 11 S N . 6515 1 50 . 1 1 12 12 ALA H H 1 8.523 0.05 . 1 . . . . 12 A H . 6515 1 51 . 1 1 12 12 ALA HA H 1 4.211 0.05 . 1 . . . . 12 A HA . 6515 1 52 . 1 1 12 12 ALA HB1 H 1 1.498 0.05 . 1 . . . . 12 A HB . 6515 1 53 . 1 1 12 12 ALA HB2 H 1 1.498 0.05 . 1 . . . . 12 A HB . 6515 1 54 . 1 1 12 12 ALA HB3 H 1 1.498 0.05 . 1 . . . . 12 A HB . 6515 1 55 . 1 1 12 12 ALA C C 13 178.593 0.15 . 1 . . . . 12 A C . 6515 1 56 . 1 1 12 12 ALA CA C 13 54.755 0.15 . 1 . . . . 12 A CA . 6515 1 57 . 1 1 12 12 ALA CB C 13 18.476 0.15 . 1 . . . . 12 A CB . 6515 1 58 . 1 1 12 12 ALA N N 15 125.405 0.10 . 1 . . . . 12 A N . 6515 1 59 . 1 1 13 13 ASP H H 1 8.166 0.05 . 1 . . . . 13 D H . 6515 1 60 . 1 1 13 13 ASP HA H 1 4.516 0.05 . 1 . . . . 13 D HA . 6515 1 61 . 1 1 13 13 ASP HB2 H 1 2.583 0.05 . 2 . . . . 13 D HB2 . 6515 1 62 . 1 1 13 13 ASP C C 13 177.147 0.15 . 1 . . . . 13 D C . 6515 1 63 . 1 1 13 13 ASP CA C 13 56.904 0.15 . 1 . . . . 13 D CA . 6515 1 64 . 1 1 13 13 ASP CB C 13 40.745 0.15 . 1 . . . . 13 D CB . 6515 1 65 . 1 1 13 13 ASP N N 15 117.729 0.10 . 1 . . . . 13 D N . 6515 1 66 . 1 1 14 14 GLU H H 1 8.347 0.05 . 1 . . . . 14 E H . 6515 1 67 . 1 1 14 14 GLU HA H 1 3.945 0.05 . 1 . . . . 14 E HA . 6515 1 68 . 1 1 14 14 GLU HB2 H 1 2.122 0.05 . 2 . . . . 14 E HB2 . 6515 1 69 . 1 1 14 14 GLU HG2 H 1 2.401 0.05 . 2 . . . . 14 E HG2 . 6515 1 70 . 1 1 14 14 GLU HG3 H 1 2.285 0.05 . 2 . . . . 14 E HG3 . 6515 1 71 . 1 1 14 14 GLU C C 13 176.917 0.15 . 1 . . . . 14 E C . 6515 1 72 . 1 1 14 14 GLU CA C 13 59.230 0.15 . 1 . . . . 14 E CA . 6515 1 73 . 1 1 14 14 GLU CB C 13 29.799 0.15 . 1 . . . . 14 E CB . 6515 1 74 . 1 1 14 14 GLU CG C 13 36.867 0.15 . 1 . . . . 14 E CG . 6515 1 75 . 1 1 14 14 GLU N N 15 120.908 0.10 . 1 . . . . 14 E N . 6515 1 76 . 1 1 15 15 LYS H H 1 8.048 0.05 . 1 . . . . 15 K H . 6515 1 77 . 1 1 15 15 LYS HA H 1 4.126 0.05 . 1 . . . . 15 K HA . 6515 1 78 . 1 1 15 15 LYS HB3 H 1 1.938 0.05 . 1 . . . . 15 K HB3 . 6515 1 79 . 1 1 15 15 LYS HG2 H 1 1.454 0.05 . 1 . . . . 15 K HG2 . 6515 1 80 . 1 1 15 15 LYS HD2 H 1 1.661 0.05 . 1 . . . . 15 K HD2 . 6515 1 81 . 1 1 15 15 LYS HE2 H 1 2.967 0.05 . 1 . . . . 15 K HE2 . 6515 1 82 . 1 1 15 15 LYS C C 13 177.763 0.15 . 1 . . . . 15 K C . 6515 1 83 . 1 1 15 15 LYS CA C 13 59.121 0.15 . 1 . . . . 15 K CA . 6515 1 84 . 1 1 15 15 LYS CB C 13 32.313 0.15 . 1 . . . . 15 K CB . 6515 1 85 . 1 1 15 15 LYS CG C 13 25.166 0.15 . 1 . . . . 15 K CG . 6515 1 86 . 1 1 15 15 LYS CD C 13 29.130 0.15 . 1 . . . . 15 K CD . 6515 1 87 . 1 1 15 15 LYS CE C 13 42.120 0.15 . 1 . . . . 15 K CE . 6515 1 88 . 1 1 15 15 LYS N N 15 119.874 0.10 . 1 . . . . 15 K N . 6515 1 89 . 1 1 16 16 VAL H H 1 7.589 0.05 . 1 . . . . 16 V H . 6515 1 90 . 1 1 16 16 VAL HA H 1 3.896 0.05 . 1 . . . . 16 V HA . 6515 1 91 . 1 1 16 16 VAL HB H 1 2.256 0.05 . 1 . . . . 16 V HB . 6515 1 92 . 1 1 16 16 VAL HG11 H 1 1.127 0.05 . 2 . . . . 16 V HG1 . 6515 1 93 . 1 1 16 16 VAL HG12 H 1 1.127 0.05 . 2 . . . . 16 V HG1 . 6515 1 94 . 1 1 16 16 VAL HG13 H 1 1.127 0.05 . 2 . . . . 16 V HG1 . 6515 1 95 . 1 1 16 16 VAL HG21 H 1 1.051 0.05 . 2 . . . . 16 V HG2 . 6515 1 96 . 1 1 16 16 VAL HG22 H 1 1.051 0.05 . 2 . . . . 16 V HG2 . 6515 1 97 . 1 1 16 16 VAL HG23 H 1 1.051 0.05 . 2 . . . . 16 V HG2 . 6515 1 98 . 1 1 16 16 VAL C C 13 177.446 0.15 . 1 . . . . 16 V C . 6515 1 99 . 1 1 16 16 VAL CA C 13 65.729 0.15 . 1 . . . . 16 V CA . 6515 1 100 . 1 1 16 16 VAL CB C 13 32.059 0.15 . 1 . . . . 16 V CB . 6515 1 101 . 1 1 16 16 VAL CG1 C 13 22.349 0.15 . 1 . . . . 16 V CG1 . 6515 1 102 . 1 1 16 16 VAL CG2 C 13 21.215 0.15 . 1 . . . . 16 V CG2 . 6515 1 103 . 1 1 16 16 VAL N N 15 119.005 0.10 . 1 . . . . 16 V N . 6515 1 104 . 1 1 17 17 VAL H H 1 7.746 0.05 . 1 . . . . 17 V H . 6515 1 105 . 1 1 17 17 VAL HA H 1 3.779 0.05 . 1 . . . . 17 V HA . 6515 1 106 . 1 1 17 17 VAL HB H 1 2.156 0.05 . 1 . . . . 17 V HB . 6515 1 107 . 1 1 17 17 VAL HG11 H 1 1.090 0.05 . 2 . . . . 17 V HG1 . 6515 1 108 . 1 1 17 17 VAL HG12 H 1 1.090 0.05 . 2 . . . . 17 V HG1 . 6515 1 109 . 1 1 17 17 VAL HG13 H 1 1.090 0.05 . 2 . . . . 17 V HG1 . 6515 1 110 . 1 1 17 17 VAL HG21 H 1 0.812 0.05 . 2 . . . . 17 V HG2 . 6515 1 111 . 1 1 17 17 VAL HG22 H 1 0.812 0.05 . 2 . . . . 17 V HG2 . 6515 1 112 . 1 1 17 17 VAL HG23 H 1 0.812 0.05 . 2 . . . . 17 V HG2 . 6515 1 113 . 1 1 17 17 VAL CA C 13 65.644 0.15 . 1 . . . . 17 V CA . 6515 1 114 . 1 1 17 17 VAL CB C 13 31.939 0.15 . 1 . . . . 17 V CB . 6515 1 115 . 1 1 17 17 VAL CG1 C 13 22.941 0.15 . 1 . . . . 17 V CG1 . 6515 1 116 . 1 1 17 17 VAL CG2 C 13 22.006 0.15 . 1 . . . . 17 V CG2 . 6515 1 117 . 1 1 17 17 VAL N N 15 120.011 0.10 . 1 . . . . 17 V N . 6515 1 118 . 1 1 18 18 GLU H H 1 8.391 0.05 . 1 . . . . 18 E H . 6515 1 119 . 1 1 18 18 GLU HA H 1 4.068 0.05 . 1 . . . . 18 E HA . 6515 1 120 . 1 1 18 18 GLU HB3 H 1 2.138 0.05 . 2 . . . . 18 E HB3 . 6515 1 121 . 1 1 18 18 GLU C C 13 178.018 0.15 . 1 . . . . 18 E C . 6515 1 122 . 1 1 18 18 GLU CA C 13 59.174 0.15 . 1 . . . . 18 E CA . 6515 1 123 . 1 1 18 18 GLU CB C 13 29.642 0.15 . 1 . . . . 18 E CB . 6515 1 124 . 1 1 18 18 GLU CG C 13 36.144 0.15 . 1 . . . . 18 E CG . 6515 1 125 . 1 1 18 18 GLU N N 15 121.254 0.10 . 1 . . . . 18 E N . 6515 1 126 . 1 1 19 19 GLU H H 1 8.342 0.05 . 1 . . . . 19 E H . 6515 1 127 . 1 1 19 19 GLU HA H 1 4.110 0.05 . 1 . . . . 19 E HA . 6515 1 128 . 1 1 19 19 GLU HB2 H 1 2.145 0.05 . 1 . . . . 19 E HB2 . 6515 1 129 . 1 1 19 19 GLU HG2 H 1 2.473 0.05 . 1 . . . . 19 E HG2 . 6515 1 130 . 1 1 19 19 GLU C C 13 178.627 0.15 . 1 . . . . 19 E C . 6515 1 131 . 1 1 19 19 GLU CA C 13 59.866 0.15 . 1 . . . . 19 E CA . 6515 1 132 . 1 1 19 19 GLU CB C 13 29.586 0.15 . 1 . . . . 19 E CB . 6515 1 133 . 1 1 19 19 GLU CG C 13 36.380 0.15 . 1 . . . . 19 E CG . 6515 1 134 . 1 1 19 19 GLU N N 15 121.501 0.10 . 1 . . . . 19 E N . 6515 1 135 . 1 1 20 20 LYS H H 1 7.976 0.05 . 1 . . . . 20 K H . 6515 1 136 . 1 1 20 20 LYS HA H 1 4.082 0.05 . 1 . . . . 20 K HA . 6515 1 137 . 1 1 20 20 LYS HB2 H 1 1.919 0.05 . 2 . . . . 20 K HB2 . 6515 1 138 . 1 1 20 20 LYS HB3 H 1 1.730 0.05 . 2 . . . . 20 K HB3 . 6515 1 139 . 1 1 20 20 LYS HE2 H 1 2.945 0.05 . 2 . . . . 20 K HE2 . 6515 1 140 . 1 1 20 20 LYS C C 13 177.890 0.15 . 1 . . . . 20 K C . 6515 1 141 . 1 1 20 20 LYS CA C 13 58.815 0.15 . 1 . . . . 20 K CA . 6515 1 142 . 1 1 20 20 LYS CB C 13 31.926 0.15 . 1 . . . . 20 K CB . 6515 1 143 . 1 1 20 20 LYS CG C 13 25.387 0.15 . 1 . . . . 20 K CG . 6515 1 144 . 1 1 20 20 LYS CD C 13 29.030 0.15 . 1 . . . . 20 K CD . 6515 1 145 . 1 1 20 20 LYS N N 15 119.692 0.10 . 1 . . . . 20 K N . 6515 1 146 . 1 1 21 21 ALA H H 1 8.399 0.05 . 1 . . . . 21 A H . 6515 1 147 . 1 1 21 21 ALA HA H 1 4.019 0.05 . 1 . . . . 21 A HA . 6515 1 148 . 1 1 21 21 ALA HB1 H 1 1.580 0.05 . 1 . . . . 21 A HB . 6515 1 149 . 1 1 21 21 ALA HB2 H 1 1.580 0.05 . 1 . . . . 21 A HB . 6515 1 150 . 1 1 21 21 ALA HB3 H 1 1.580 0.05 . 1 . . . . 21 A HB . 6515 1 151 . 1 1 21 21 ALA C C 13 178.194 0.15 . 1 . . . . 21 A C . 6515 1 152 . 1 1 21 21 ALA CA C 13 54.946 0.15 . 1 . . . . 21 A CA . 6515 1 153 . 1 1 21 21 ALA CB C 13 19.358 0.15 . 1 . . . . 21 A CB . 6515 1 154 . 1 1 21 21 ALA N N 15 120.870 0.10 . 1 . . . . 21 A N . 6515 1 155 . 1 1 22 22 SER H H 1 8.201 0.05 . 1 . . . . 22 S H . 6515 1 156 . 1 1 22 22 SER HA H 1 4.189 0.05 . 1 . . . . 22 S HA . 6515 1 157 . 1 1 22 22 SER HB2 H 1 4.044 0.05 . 2 . . . . 22 S HB2 . 6515 1 158 . 1 1 22 22 SER HB3 H 1 4.017 0.05 . 2 . . . . 22 S HB3 . 6515 1 159 . 1 1 22 22 SER C C 13 175.835 0.15 . 1 . . . . 22 S C . 6515 1 160 . 1 1 22 22 SER CA C 13 61.571 0.15 . 1 . . . . 22 S CA . 6515 1 161 . 1 1 22 22 SER CB C 13 62.518 0.15 . 1 . . . . 22 S CB . 6515 1 162 . 1 1 22 22 SER N N 15 115.128 0.10 . 1 . . . . 22 S N . 6515 1 163 . 1 1 23 23 VAL H H 1 7.159 0.05 . 1 . . . . 23 V H . 6515 1 164 . 1 1 23 23 VAL HA H 1 3.814 0.05 . 1 . . . . 23 V HA . 6515 1 165 . 1 1 23 23 VAL HB H 1 2.185 0.05 . 1 . . . . 23 V HB . 6515 1 166 . 1 1 23 23 VAL HG11 H 1 0.937 0.05 . 2 . . . . 23 V HG1 . 6515 1 167 . 1 1 23 23 VAL HG12 H 1 0.937 0.05 . 2 . . . . 23 V HG1 . 6515 1 168 . 1 1 23 23 VAL HG13 H 1 0.937 0.05 . 2 . . . . 23 V HG1 . 6515 1 169 . 1 1 23 23 VAL HG21 H 1 1.098 0.05 . 2 . . . . 23 V HG2 . 6515 1 170 . 1 1 23 23 VAL HG22 H 1 1.098 0.05 . 2 . . . . 23 V HG2 . 6515 1 171 . 1 1 23 23 VAL HG23 H 1 1.098 0.05 . 2 . . . . 23 V HG2 . 6515 1 172 . 1 1 23 23 VAL C C 13 177.749 0.15 . 1 . . . . 23 V C . 6515 1 173 . 1 1 23 23 VAL CA C 13 65.670 0.15 . 1 . . . . 23 V CA . 6515 1 174 . 1 1 23 23 VAL CB C 13 32.333 0.15 . 1 . . . . 23 V CB . 6515 1 175 . 1 1 23 23 VAL CG1 C 13 21.931 0.15 . 1 . . . . 23 V CG1 . 6515 1 176 . 1 1 23 23 VAL CG2 C 13 22.058 0.15 . 1 . . . . 23 V CG2 . 6515 1 177 . 1 1 23 23 VAL N N 15 122.255 0.10 . 1 . . . . 23 V N . 6515 1 178 . 1 1 24 24 ILE H H 1 7.994 0.05 . 1 . . . . 24 I H . 6515 1 179 . 1 1 24 24 ILE HA H 1 3.596 0.05 . 1 . . . . 24 I HA . 6515 1 180 . 1 1 24 24 ILE HB H 1 1.625 0.05 . 1 . . . . 24 I HB . 6515 1 181 . 1 1 24 24 ILE HG21 H 1 0.719 0.05 . 2 . . . . 24 I HG2 . 6515 1 182 . 1 1 24 24 ILE HG22 H 1 0.719 0.05 . 2 . . . . 24 I HG2 . 6515 1 183 . 1 1 24 24 ILE HG23 H 1 0.719 0.05 . 2 . . . . 24 I HG2 . 6515 1 184 . 1 1 24 24 ILE HD11 H 1 0.683 0.05 . 2 . . . . 24 I HD1 . 6515 1 185 . 1 1 24 24 ILE HD12 H 1 0.683 0.05 . 2 . . . . 24 I HD1 . 6515 1 186 . 1 1 24 24 ILE HD13 H 1 0.683 0.05 . 2 . . . . 24 I HD1 . 6515 1 187 . 1 1 24 24 ILE C C 13 176.465 0.15 . 1 . . . . 24 I C . 6515 1 188 . 1 1 24 24 ILE CA C 13 65.038 0.15 . 1 . . . . 24 I CA . 6515 1 189 . 1 1 24 24 ILE CB C 13 38.418 0.15 . 1 . . . . 24 I CB . 6515 1 190 . 1 1 24 24 ILE CG2 C 13 17.350 0.15 . 1 . . . . 24 I CG2 . 6515 1 191 . 1 1 24 24 ILE CD1 C 13 14.213 0.15 . 1 . . . . 24 I CD1 . 6515 1 192 . 1 1 24 24 ILE N N 15 121.893 0.10 . 1 . . . . 24 I N . 6515 1 193 . 1 1 25 25 SER H H 1 9.179 0.05 . 1 . . . . 25 S H . 6515 1 194 . 1 1 25 25 SER HB3 H 1 3.945 0.05 . 2 . . . . 25 S HB3 . 6515 1 195 . 1 1 25 25 SER C C 13 175.614 0.15 . 1 . . . . 25 S C . 6515 1 196 . 1 1 25 25 SER CA C 13 62.430 0.15 . 1 . . . . 25 S CA . 6515 1 197 . 1 1 25 25 SER CB C 13 62.282 0.15 . 1 . . . . 25 S CB . 6515 1 198 . 1 1 25 25 SER N N 15 116.565 0.10 . 1 . . . . 25 S N . 6515 1 199 . 1 1 26 26 SER H H 1 7.385 0.05 . 1 . . . . 26 S H . 6515 1 200 . 1 1 26 26 SER HA H 1 4.352 0.05 . 1 . . . . 26 S HA . 6515 1 201 . 1 1 26 26 SER HB2 H 1 4.011 0.05 . 2 . . . . 26 S HB2 . 6515 1 202 . 1 1 26 26 SER C C 13 175.657 0.15 . 1 . . . . 26 S C . 6515 1 203 . 1 1 26 26 SER CA C 13 61.407 0.15 . 1 . . . . 26 S CA . 6515 1 204 . 1 1 26 26 SER CB C 13 62.838 0.15 . 1 . . . . 26 S CB . 6515 1 205 . 1 1 26 26 SER N N 15 116.063 0.10 . 1 . . . . 26 S N . 6515 1 206 . 1 1 27 27 LEU H H 1 7.591 0.05 . 1 . . . . 27 L H . 6515 1 207 . 1 1 27 27 LEU HA H 1 4.159 0.05 . 1 . . . . 27 L HA . 6515 1 208 . 1 1 27 27 LEU HB3 H 1 1.814 0.05 . 2 . . . . 27 L HB3 . 6515 1 209 . 1 1 27 27 LEU HG H 1 1.618 0.05 . 1 . . . . 27 L HG . 6515 1 210 . 1 1 27 27 LEU HD11 H 1 0.793 0.05 . 2 . . . . 27 L HD1 . 6515 1 211 . 1 1 27 27 LEU HD12 H 1 0.793 0.05 . 2 . . . . 27 L HD1 . 6515 1 212 . 1 1 27 27 LEU HD13 H 1 0.793 0.05 . 2 . . . . 27 L HD1 . 6515 1 213 . 1 1 27 27 LEU HD21 H 1 0.824 0.05 . 2 . . . . 27 L HD2 . 6515 1 214 . 1 1 27 27 LEU HD22 H 1 0.824 0.05 . 2 . . . . 27 L HD2 . 6515 1 215 . 1 1 27 27 LEU HD23 H 1 0.824 0.05 . 2 . . . . 27 L HD2 . 6515 1 216 . 1 1 27 27 LEU C C 13 178.841 0.15 . 1 . . . . 27 L C . 6515 1 217 . 1 1 27 27 LEU CA C 13 58.147 0.15 . 1 . . . . 27 L CA . 6515 1 218 . 1 1 27 27 LEU CB C 13 41.575 0.15 . 1 . . . . 27 L CB . 6515 1 219 . 1 1 27 27 LEU CG C 13 26.659 0.15 . 1 . . . . 27 L CG . 6515 1 220 . 1 1 27 27 LEU CD1 C 13 24.113 0.15 . 1 . . . . 27 L CD1 . 6515 1 221 . 1 1 27 27 LEU CD2 C 13 24.170 0.15 . 1 . . . . 27 L CD2 . 6515 1 222 . 1 1 27 27 LEU N N 15 123.714 0.10 . 1 . . . . 27 L N . 6515 1 223 . 1 1 28 28 LEU H H 1 8.647 0.05 . 1 . . . . 28 L H . 6515 1 224 . 1 1 28 28 LEU HA H 1 3.946 0.05 . 1 . . . . 28 L HA . 6515 1 225 . 1 1 28 28 LEU HB2 H 1 1.980 0.05 . 2 . . . . 28 L HB2 . 6515 1 226 . 1 1 28 28 LEU HB3 H 1 1.346 0.05 . 2 . . . . 28 L HB3 . 6515 1 227 . 1 1 28 28 LEU HD11 H 1 0.713 0.05 . 2 . . . . 28 L HD1 . 6515 1 228 . 1 1 28 28 LEU HD12 H 1 0.713 0.05 . 2 . . . . 28 L HD1 . 6515 1 229 . 1 1 28 28 LEU HD13 H 1 0.713 0.05 . 2 . . . . 28 L HD1 . 6515 1 230 . 1 1 28 28 LEU HD21 H 1 0.573 0.05 . 2 . . . . 28 L HD2 . 6515 1 231 . 1 1 28 28 LEU HD22 H 1 0.573 0.05 . 2 . . . . 28 L HD2 . 6515 1 232 . 1 1 28 28 LEU HD23 H 1 0.573 0.05 . 2 . . . . 28 L HD2 . 6515 1 233 . 1 1 28 28 LEU C C 13 177.886 0.15 . 1 . . . . 28 L C . 6515 1 234 . 1 1 28 28 LEU CA C 13 57.902 0.15 . 1 . . . . 28 L CA . 6515 1 235 . 1 1 28 28 LEU CB C 13 40.579 0.15 . 1 . . . . 28 L CB . 6515 1 236 . 1 1 28 28 LEU CD1 C 13 25.534 0.15 . 1 . . . . 28 L CD1 . 6515 1 237 . 1 1 28 28 LEU CD2 C 13 21.838 0.15 . 1 . . . . 28 L CD2 . 6515 1 238 . 1 1 28 28 LEU N N 15 120.799 0.10 . 1 . . . . 28 L N . 6515 1 239 . 1 1 29 29 ASP H H 1 8.345 0.05 . 1 . . . . 29 D H . 6515 1 240 . 1 1 29 29 ASP HA H 1 4.410 0.05 . 1 . . . . 29 D HA . 6515 1 241 . 1 1 29 29 ASP HB2 H 1 2.701 0.05 . 2 . . . . 29 D HB2 . 6515 1 242 . 1 1 29 29 ASP HB3 H 1 2.828 0.05 . 2 . . . . 29 D HB3 . 6515 1 243 . 1 1 29 29 ASP C C 13 178.728 0.15 . 1 . . . . 29 D C . 6515 1 244 . 1 1 29 29 ASP CA C 13 57.695 0.15 . 1 . . . . 29 D CA . 6515 1 245 . 1 1 29 29 ASP CB C 13 40.699 0.15 . 1 . . . . 29 D CB . 6515 1 246 . 1 1 29 29 ASP N N 15 120.677 0.10 . 1 . . . . 29 D N . 6515 1 247 . 1 1 30 30 LYS H H 1 7.932 0.05 . 1 . . . . 30 K H . 6515 1 248 . 1 1 30 30 LYS HA H 1 4.136 0.05 . 1 . . . . 30 K HA . 6515 1 249 . 1 1 30 30 LYS HB2 H 1 1.952 0.05 . 2 . . . . 30 K HB2 . 6515 1 250 . 1 1 30 30 LYS HG2 H 1 1.612 0.05 . 2 . . . . 30 K HG2 . 6515 1 251 . 1 1 30 30 LYS HD2 H 1 1.663 0.05 . 2 . . . . 30 K HD2 . 6515 1 252 . 1 1 30 30 LYS HE2 H 1 2.945 0.05 . 2 . . . . 30 K HE2 . 6515 1 253 . 1 1 30 30 LYS C C 13 178.058 0.15 . 1 . . . . 30 K C . 6515 1 254 . 1 1 30 30 LYS CA C 13 59.068 0.15 . 1 . . . . 30 K CA . 6515 1 255 . 1 1 30 30 LYS CB C 13 32.306 0.15 . 1 . . . . 30 K CB . 6515 1 256 . 1 1 30 30 LYS CG C 13 25.214 0.15 . 1 . . . . 30 K CG . 6515 1 257 . 1 1 30 30 LYS CD C 13 29.254 0.15 . 1 . . . . 30 K CD . 6515 1 258 . 1 1 30 30 LYS CE C 13 42.053 0.15 . 1 . . . . 30 K CE . 6515 1 259 . 1 1 30 30 LYS N N 15 121.261 0.10 . 1 . . . . 30 K N . 6515 1 260 . 1 1 31 31 ALA H H 1 8.360 0.05 . 1 . . . . 31 A H . 6515 1 261 . 1 1 31 31 ALA HA H 1 4.404 0.05 . 1 . . . . 31 A HA . 6515 1 262 . 1 1 31 31 ALA HB1 H 1 1.567 0.05 . 1 . . . . 31 A HB . 6515 1 263 . 1 1 31 31 ALA HB2 H 1 1.567 0.05 . 1 . . . . 31 A HB . 6515 1 264 . 1 1 31 31 ALA HB3 H 1 1.567 0.05 . 1 . . . . 31 A HB . 6515 1 265 . 1 1 31 31 ALA C C 13 179.432 0.15 . 1 . . . . 31 A C . 6515 1 266 . 1 1 31 31 ALA CA C 13 54.706 0.15 . 1 . . . . 31 A CA . 6515 1 267 . 1 1 31 31 ALA CB C 13 18.526 0.15 . 1 . . . . 31 A CB . 6515 1 268 . 1 1 31 31 ALA N N 15 122.810 0.10 . 1 . . . . 31 A N . 6515 1 269 . 1 1 32 32 LYS H H 1 8.342 0.05 . 1 . . . . 32 K H . 6515 1 270 . 1 1 32 32 LYS HA H 1 4.164 0.05 . 1 . . . . 32 K HA . 6515 1 271 . 1 1 32 32 LYS HB3 H 1 2.009 0.05 . 1 . . . . 32 K HB3 . 6515 1 272 . 1 1 32 32 LYS HG2 H 1 1.736 0.05 . 1 . . . . 32 K HG2 . 6515 1 273 . 1 1 32 32 LYS HE2 H 1 2.944 0.05 . 1 . . . . 32 K HE2 . 6515 1 274 . 1 1 32 32 LYS C C 13 178.242 0.15 . 1 . . . . 32 K C . 6515 1 275 . 1 1 32 32 LYS CA C 13 59.811 0.15 . 1 . . . . 32 K CA . 6515 1 276 . 1 1 32 32 LYS CB C 13 32.868 0.15 . 1 . . . . 32 K CB . 6515 1 277 . 1 1 32 32 LYS CG C 13 26.074 0.15 . 1 . . . . 32 K CG . 6515 1 278 . 1 1 32 32 LYS CD C 13 29.627 0.15 . 1 . . . . 32 K CD . 6515 1 279 . 1 1 32 32 LYS N N 15 119.463 0.10 . 1 . . . . 32 K N . 6515 1 280 . 1 1 33 33 GLY H H 1 7.843 0.05 . 1 . . . . 33 G H . 6515 1 281 . 1 1 33 33 GLY HA2 H 1 4.034 0.05 . 2 . . . . 33 G HA2 . 6515 1 282 . 1 1 33 33 GLY C C 13 174.315 0.15 . 1 . . . . 33 G C . 6515 1 283 . 1 1 33 33 GLY CA C 13 46.966 0.15 . 1 . . . . 33 G CA . 6515 1 284 . 1 1 33 33 GLY N N 15 107.679 0.10 . 1 . . . . 33 G N . 6515 1 285 . 1 1 34 34 PHE H H 1 8.349 0.05 . 1 . . . . 34 F H . 6515 1 286 . 1 1 34 34 PHE HA H 1 4.381 0.05 . 1 . . . . 34 F HA . 6515 1 287 . 1 1 34 34 PHE HB2 H 1 3.270 0.05 . 2 . . . . 34 F HB2 . 6515 1 288 . 1 1 34 34 PHE HB3 H 1 3.150 0.05 . 2 . . . . 34 F HB3 . 6515 1 289 . 1 1 34 34 PHE HD1 H 1 7.261 0.05 . 4 . . . . 34 F HD1 . 6515 1 290 . 1 1 34 34 PHE C C 13 176.305 0.15 . 1 . . . . 34 F C . 6515 1 291 . 1 1 34 34 PHE CA C 13 60.826 0.15 . 1 . . . . 34 F CA . 6515 1 292 . 1 1 34 34 PHE CB C 13 39.618 0.15 . 1 . . . . 34 F CB . 6515 1 293 . 1 1 34 34 PHE N N 15 123.175 0.10 . 1 . . . . 34 F N . 6515 1 294 . 1 1 35 35 PHE H H 1 8.419 0.05 . 1 . . . . 35 F H . 6515 1 295 . 1 1 35 35 PHE HA H 1 4.185 0.05 . 1 . . . . 35 F HA . 6515 1 296 . 1 1 35 35 PHE HB2 H 1 3.412 0.05 . 2 . . . . 35 F HB2 . 6515 1 297 . 1 1 35 35 PHE HB3 H 1 3.361 0.05 . 2 . . . . 35 F HB3 . 6515 1 298 . 1 1 35 35 PHE HD1 H 1 7.369 0.05 . 4 . . . . 35 F HD1 . 6515 1 299 . 1 1 35 35 PHE C C 13 176.075 0.15 . 1 . . . . 35 F C . 6515 1 300 . 1 1 35 35 PHE CA C 13 60.855 0.15 . 1 . . . . 35 F CA . 6515 1 301 . 1 1 35 35 PHE CB C 13 39.315 0.15 . 1 . . . . 35 F CB . 6515 1 302 . 1 1 35 35 PHE N N 15 118.912 0.10 . 1 . . . . 35 F N . 6515 1 303 . 1 1 36 36 ALA H H 1 7.662 0.05 . 1 . . . . 36 A H . 6515 1 304 . 1 1 36 36 ALA HA H 1 4.174 0.05 . 1 . . . . 36 A HA . 6515 1 305 . 1 1 36 36 ALA HB1 H 1 1.592 0.05 . 1 . . . . 36 A HB . 6515 1 306 . 1 1 36 36 ALA HB2 H 1 1.592 0.05 . 1 . . . . 36 A HB . 6515 1 307 . 1 1 36 36 ALA HB3 H 1 1.592 0.05 . 1 . . . . 36 A HB . 6515 1 308 . 1 1 36 36 ALA C C 13 178.100 0.15 . 1 . . . . 36 A C . 6515 1 309 . 1 1 36 36 ALA CA C 13 54.344 0.15 . 1 . . . . 36 A CA . 6515 1 310 . 1 1 36 36 ALA CB C 13 18.754 0.15 . 1 . . . . 36 A CB . 6515 1 311 . 1 1 36 36 ALA N N 15 120.100 0.10 . 1 . . . . 36 A N . 6515 1 312 . 1 1 37 37 GLU H H 1 7.866 0.05 . 1 . . . . 37 E H . 6515 1 313 . 1 1 37 37 GLU HA H 1 4.227 0.05 . 1 . . . . 37 E HA . 6515 1 314 . 1 1 37 37 GLU HB3 H 1 2.011 0.05 . 2 . . . . 37 E HB3 . 6515 1 315 . 1 1 37 37 GLU HG2 H 1 2.204 0.05 . 2 . . . . 37 E HG2 . 6515 1 316 . 1 1 37 37 GLU HG3 H 1 2.363 0.05 . 2 . . . . 37 E HG3 . 6515 1 317 . 1 1 37 37 GLU C C 13 176.780 0.15 . 1 . . . . 37 E C . 6515 1 318 . 1 1 37 37 GLU CA C 13 57.844 0.15 . 1 . . . . 37 E CA . 6515 1 319 . 1 1 37 37 GLU CB C 13 31.078 0.15 . 1 . . . . 37 E CB . 6515 1 320 . 1 1 37 37 GLU CG C 13 36.355 0.15 . 1 . . . . 37 E CG . 6515 1 321 . 1 1 37 37 GLU N N 15 115.688 0.10 . 1 . . . . 37 E N . 6515 1 322 . 1 1 38 38 LYS H H 1 8.072 0.05 . 1 . . . . 38 K H . 6515 1 323 . 1 1 38 38 LYS HA H 1 4.280 0.05 . 1 . . . . 38 K HA . 6515 1 324 . 1 1 38 38 LYS HB2 H 1 1.510 0.05 . 2 . . . . 38 K HB2 . 6515 1 325 . 1 1 38 38 LYS HB3 H 1 1.301 0.05 . 2 . . . . 38 K HB3 . 6515 1 326 . 1 1 38 38 LYS HG2 H 1 1.168 0.05 . 2 . . . . 38 K HG2 . 6515 1 327 . 1 1 38 38 LYS HD2 H 1 1.482 0.05 . 2 . . . . 38 K HD2 . 6515 1 328 . 1 1 38 38 LYS HE2 H 1 2.870 0.05 . 2 . . . . 38 K HE2 . 6515 1 329 . 1 1 38 38 LYS C C 13 176.570 0.15 . 1 . . . . 38 K C . 6515 1 330 . 1 1 38 38 LYS CA C 13 56.657 0.15 . 1 . . . . 38 K CA . 6515 1 331 . 1 1 38 38 LYS CB C 13 33.343 0.15 . 1 . . . . 38 K CB . 6515 1 332 . 1 1 38 38 LYS CG C 13 24.481 0.15 . 1 . . . . 38 K CG . 6515 1 333 . 1 1 38 38 LYS CD C 13 28.675 0.15 . 1 . . . . 38 K CD . 6515 1 334 . 1 1 38 38 LYS CE C 13 41.997 0.15 . 1 . . . . 38 K CE . 6515 1 335 . 1 1 38 38 LYS N N 15 117.038 0.10 . 1 . . . . 38 K N . 6515 1 336 . 1 1 39 39 LEU H H 1 7.619 0.05 . 1 . . . . 39 L H . 6515 1 337 . 1 1 39 39 LEU HA H 1 4.440 0.05 . 1 . . . . 39 L HA . 6515 1 338 . 1 1 39 39 LEU HB3 H 1 1.583 0.05 . 2 . . . . 39 L HB3 . 6515 1 339 . 1 1 39 39 LEU HG H 1 1.057 0.05 . 1 . . . . 39 L HG . 6515 1 340 . 1 1 39 39 LEU HD21 H 1 0.877 0.05 . 2 . . . . 39 L HD2 . 6515 1 341 . 1 1 39 39 LEU HD22 H 1 0.877 0.05 . 2 . . . . 39 L HD2 . 6515 1 342 . 1 1 39 39 LEU HD23 H 1 0.877 0.05 . 2 . . . . 39 L HD2 . 6515 1 343 . 1 1 39 39 LEU C C 13 175.625 0.15 . 1 . . . . 39 L C . 6515 1 344 . 1 1 39 39 LEU CA C 13 54.390 0.15 . 1 . . . . 39 L CA . 6515 1 345 . 1 1 39 39 LEU CB C 13 41.542 0.15 . 1 . . . . 39 L CB . 6515 1 346 . 1 1 39 39 LEU CG C 13 26.291 0.15 . 1 . . . . 39 L CG . 6515 1 347 . 1 1 39 39 LEU CD2 C 13 23.351 0.15 . 1 . . . . 39 L CD2 . 6515 1 348 . 1 1 39 39 LEU N N 15 118.420 0.10 . 1 . . . . 39 L N . 6515 1 349 . 1 1 40 40 ALA H H 1 7.617 0.05 . 1 . . . . 40 A H . 6515 1 350 . 1 1 40 40 ALA HA H 1 3.998 0.05 . 1 . . . . 40 A HA . 6515 1 351 . 1 1 40 40 ALA HB1 H 1 1.352 0.05 . 1 . . . . 40 A HB . 6515 1 352 . 1 1 40 40 ALA HB2 H 1 1.352 0.05 . 1 . . . . 40 A HB . 6515 1 353 . 1 1 40 40 ALA HB3 H 1 1.352 0.05 . 1 . . . . 40 A HB . 6515 1 354 . 1 1 40 40 ALA C C 13 177.161 0.15 . 1 . . . . 40 A C . 6515 1 355 . 1 1 40 40 ALA CA C 13 54.362 0.15 . 1 . . . . 40 A CA . 6515 1 356 . 1 1 40 40 ALA CB C 13 18.668 0.15 . 1 . . . . 40 A CB . 6515 1 357 . 1 1 40 40 ALA N N 15 122.489 0.10 . 1 . . . . 40 A N . 6515 1 358 . 1 1 41 41 ASN H H 1 8.427 0.05 . 1 . . . . 41 N H . 6515 1 359 . 1 1 41 41 ASN HA H 1 4.717 0.05 . 1 . . . . 41 N HA . 6515 1 360 . 1 1 41 41 ASN HB2 H 1 2.733 0.05 . 2 . . . . 41 N HB2 . 6515 1 361 . 1 1 41 41 ASN HB3 H 1 2.927 0.05 . 2 . . . . 41 N HB3 . 6515 1 362 . 1 1 41 41 ASN HD21 H 1 7.536 0.05 . 2 . . . . 41 N HD21 . 6515 1 363 . 1 1 41 41 ASN HD22 H 1 6.876 0.05 . 2 . . . . 41 N HD22 . 6515 1 364 . 1 1 41 41 ASN C C 13 173.169 0.15 . 1 . . . . 41 N C . 6515 1 365 . 1 1 41 41 ASN CA C 13 53.032 0.15 . 1 . . . . 41 N CA . 6515 1 366 . 1 1 41 41 ASN CB C 13 38.673 0.15 . 1 . . . . 41 N CB . 6515 1 367 . 1 1 41 41 ASN N N 15 113.635 0.10 . 1 . . . . 41 N N . 6515 1 368 . 1 1 41 41 ASN ND2 N 15 113.173 0.10 . 1 . . . . 41 N ND2 . 6515 1 369 . 1 1 42 42 ILE H H 1 7.454 0.05 . 1 . . . . 42 I H . 6515 1 370 . 1 1 42 42 ILE HA H 1 4.646 0.05 . 1 . . . . 42 I HA . 6515 1 371 . 1 1 42 42 ILE HB H 1 1.901 0.05 . 1 . . . . 42 I HB . 6515 1 372 . 1 1 42 42 ILE HG12 H 1 1.473 0.05 . 2 . . . . 42 I HG12 . 6515 1 373 . 1 1 42 42 ILE HG13 H 1 1.234 0.05 . 2 . . . . 42 I HG13 . 6515 1 374 . 1 1 42 42 ILE HG21 H 1 0.950 0.05 . 2 . . . . 42 I HG2 . 6515 1 375 . 1 1 42 42 ILE HG22 H 1 0.950 0.05 . 2 . . . . 42 I HG2 . 6515 1 376 . 1 1 42 42 ILE HG23 H 1 0.950 0.05 . 2 . . . . 42 I HG2 . 6515 1 377 . 1 1 42 42 ILE HD11 H 1 0.892 0.05 . 2 . . . . 42 I HD1 . 6515 1 378 . 1 1 42 42 ILE HD12 H 1 0.892 0.05 . 2 . . . . 42 I HD1 . 6515 1 379 . 1 1 42 42 ILE HD13 H 1 0.892 0.05 . 2 . . . . 42 I HD1 . 6515 1 380 . 1 1 42 42 ILE CA C 13 57.604 0.15 . 1 . . . . 42 I CA . 6515 1 381 . 1 1 42 42 ILE CB C 13 39.908 0.15 . 1 . . . . 42 I CB . 6515 1 382 . 1 1 42 42 ILE CG1 C 13 26.717 0.15 . 1 . . . . 42 I CG1 . 6515 1 383 . 1 1 42 42 ILE CG2 C 13 16.991 0.15 . 1 . . . . 42 I CG2 . 6515 1 384 . 1 1 42 42 ILE CD1 C 13 12.683 0.15 . 1 . . . . 42 I CD1 . 6515 1 385 . 1 1 42 42 ILE N N 15 120.963 0.10 . 1 . . . . 42 I N . 6515 1 386 . 1 1 43 43 PRO HA H 1 4.486 0.05 . 1 . . . . 43 P HA . 6515 1 387 . 1 1 43 43 PRO HB2 H 1 1.269 0.05 . 2 . . . . 43 P HB2 . 6515 1 388 . 1 1 43 43 PRO HB3 H 1 1.983 0.05 . 2 . . . . 43 P HB3 . 6515 1 389 . 1 1 43 43 PRO HD2 H 1 3.708 0.05 . 2 . . . . 43 P HD2 . 6515 1 390 . 1 1 43 43 PRO C C 13 176.423 0.15 . 1 . . . . 43 P C . 6515 1 391 . 1 1 43 43 PRO CA C 13 63.045 0.15 . 1 . . . . 43 P CA . 6515 1 392 . 1 1 43 43 PRO CB C 13 30.899 0.15 . 1 . . . . 43 P CB . 6515 1 393 . 1 1 43 43 PRO CG C 13 27.618 0.15 . 1 . . . . 43 P CG . 6515 1 394 . 1 1 44 44 THR H H 1 8.702 0.05 . 1 . . . . 44 T H . 6515 1 395 . 1 1 44 44 THR HA H 1 5.100 0.05 . 1 . . . . 44 T HA . 6515 1 396 . 1 1 44 44 THR HB H 1 4.274 0.05 . 1 . . . . 44 T HB . 6515 1 397 . 1 1 44 44 THR HG21 H 1 1.423 0.05 . 2 . . . . 44 T HG2 . 6515 1 398 . 1 1 44 44 THR HG22 H 1 1.423 0.05 . 2 . . . . 44 T HG2 . 6515 1 399 . 1 1 44 44 THR HG23 H 1 1.423 0.05 . 2 . . . . 44 T HG2 . 6515 1 400 . 1 1 44 44 THR CA C 13 58.187 0.15 . 1 . . . . 44 T CA . 6515 1 401 . 1 1 44 44 THR CB C 13 70.553 0.15 . 1 . . . . 44 T CB . 6515 1 402 . 1 1 44 44 THR CG2 C 13 22.973 0.15 . 1 . . . . 44 T CG2 . 6515 1 403 . 1 1 44 44 THR N N 15 115.525 0.10 . 1 . . . . 44 T N . 6515 1 404 . 1 1 45 45 PRO HA H 1 4.827 0.05 . 1 . . . . 45 P HA . 6515 1 405 . 1 1 45 45 PRO HB2 H 1 1.827 0.05 . 2 . . . . 45 P HB2 . 6515 1 406 . 1 1 45 45 PRO HB3 H 1 1.230 0.05 . 2 . . . . 45 P HB3 . 6515 1 407 . 1 1 45 45 PRO C C 13 173.382 0.15 . 1 . . . . 45 P C . 6515 1 408 . 1 1 45 45 PRO CA C 13 62.685 0.15 . 1 . . . . 45 P CA . 6515 1 409 . 1 1 45 45 PRO CB C 13 32.502 0.15 . 1 . . . . 45 P CB . 6515 1 410 . 1 1 45 45 PRO CG C 13 27.465 0.15 . 1 . . . . 45 P CG . 6515 1 411 . 1 1 46 46 GLU H H 1 8.036 0.05 . 1 . . . . 46 E H . 6515 1 412 . 1 1 46 46 GLU HA H 1 4.711 0.05 . 1 . . . . 46 E HA . 6515 1 413 . 1 1 46 46 GLU HB3 H 1 1.995 0.05 . 2 . . . . 46 E HB3 . 6515 1 414 . 1 1 46 46 GLU HG2 H 1 2.371 0.05 . 2 . . . . 46 E HG2 . 6515 1 415 . 1 1 46 46 GLU C C 13 173.713 0.15 . 1 . . . . 46 E C . 6515 1 416 . 1 1 46 46 GLU CA C 13 54.757 0.15 . 1 . . . . 46 E CA . 6515 1 417 . 1 1 46 46 GLU CB C 13 33.129 0.15 . 1 . . . . 46 E CB . 6515 1 418 . 1 1 46 46 GLU CG C 13 36.508 0.15 . 1 . . . . 46 E CG . 6515 1 419 . 1 1 46 46 GLU N N 15 121.793 0.10 . 1 . . . . 46 E N . 6515 1 420 . 1 1 47 47 ALA H H 1 9.113 0.05 . 1 . . . . 47 A H . 6515 1 421 . 1 1 47 47 ALA HA H 1 5.780 0.05 . 1 . . . . 47 A HA . 6515 1 422 . 1 1 47 47 ALA HB1 H 1 1.194 0.05 . 1 . . . . 47 A HB . 6515 1 423 . 1 1 47 47 ALA HB2 H 1 1.194 0.05 . 1 . . . . 47 A HB . 6515 1 424 . 1 1 47 47 ALA HB3 H 1 1.194 0.05 . 1 . . . . 47 A HB . 6515 1 425 . 1 1 47 47 ALA C C 13 174.290 0.15 . 1 . . . . 47 A C . 6515 1 426 . 1 1 47 47 ALA CA C 13 50.242 0.15 . 1 . . . . 47 A CA . 6515 1 427 . 1 1 47 47 ALA CB C 13 24.373 0.15 . 1 . . . . 47 A CB . 6515 1 428 . 1 1 47 47 ALA N N 15 128.836 0.10 . 1 . . . . 47 A N . 6515 1 429 . 1 1 48 48 THR H H 1 8.738 0.05 . 1 . . . . 48 T H . 6515 1 430 . 1 1 48 48 THR HA H 1 4.427 0.05 . 1 . . . . 48 T HA . 6515 1 431 . 1 1 48 48 THR HB H 1 4.020 0.05 . 1 . . . . 48 T HB . 6515 1 432 . 1 1 48 48 THR HG21 H 1 1.178 0.05 . 1 . . . . 48 T HG2 . 6515 1 433 . 1 1 48 48 THR HG22 H 1 1.178 0.05 . 1 . . . . 48 T HG2 . 6515 1 434 . 1 1 48 48 THR HG23 H 1 1.178 0.05 . 1 . . . . 48 T HG2 . 6515 1 435 . 1 1 48 48 THR C C 13 171.493 0.15 . 1 . . . . 48 T C . 6515 1 436 . 1 1 48 48 THR CA C 13 60.879 0.15 . 1 . . . . 48 T CA . 6515 1 437 . 1 1 48 48 THR CB C 13 71.733 0.15 . 1 . . . . 48 T CB . 6515 1 438 . 1 1 48 48 THR CG2 C 13 21.531 0.15 . 1 . . . . 48 T CG2 . 6515 1 439 . 1 1 48 48 THR N N 15 114.066 0.10 . 1 . . . . 48 T N . 6515 1 440 . 1 1 49 49 VAL H H 1 8.794 0.05 . 1 . . . . 49 V H . 6515 1 441 . 1 1 49 49 VAL HA H 1 4.377 0.05 . 1 . . . . 49 V HA . 6515 1 442 . 1 1 49 49 VAL HB H 1 1.996 0.05 . 1 . . . . 49 V HB . 6515 1 443 . 1 1 49 49 VAL HG11 H 1 0.769 0.05 . 1 . . . . 49 V HG1 . 6515 1 444 . 1 1 49 49 VAL HG12 H 1 0.769 0.05 . 1 . . . . 49 V HG1 . 6515 1 445 . 1 1 49 49 VAL HG13 H 1 0.769 0.05 . 1 . . . . 49 V HG1 . 6515 1 446 . 1 1 49 49 VAL C C 13 173.924 0.15 . 1 . . . . 49 V C . 6515 1 447 . 1 1 49 49 VAL CA C 13 62.161 0.15 . 1 . . . . 49 V CA . 6515 1 448 . 1 1 49 49 VAL CB C 13 31.077 0.15 . 1 . . . . 49 V CB . 6515 1 449 . 1 1 49 49 VAL CG1 C 13 22.068 0.15 . 1 . . . . 49 V CG1 . 6515 1 450 . 1 1 49 49 VAL N N 15 123.864 0.10 . 1 . . . . 49 V N . 6515 1 451 . 1 1 50 50 ASP H H 1 8.954 0.05 . 1 . . . . 50 D H . 6515 1 452 . 1 1 50 50 ASP HA H 1 4.557 0.05 . 1 . . . . 50 D HA . 6515 1 453 . 1 1 50 50 ASP HB2 H 1 2.723 0.05 . 2 . . . . 50 D HB2 . 6515 1 454 . 1 1 50 50 ASP HB3 H 1 2.310 0.05 . 2 . . . . 50 D HB3 . 6515 1 455 . 1 1 50 50 ASP C C 13 174.784 0.15 . 1 . . . . 50 D C . 6515 1 456 . 1 1 50 50 ASP CA C 13 56.105 0.15 . 1 . . . . 50 D CA . 6515 1 457 . 1 1 50 50 ASP CB C 13 42.297 0.15 . 1 . . . . 50 D CB . 6515 1 458 . 1 1 50 50 ASP N N 15 130.494 0.10 . 1 . . . . 50 D N . 6515 1 459 . 1 1 51 51 ASP H H 1 7.503 0.05 . 1 . . . . 51 D H . 6515 1 460 . 1 1 51 51 ASP HA H 1 4.764 0.05 . 1 . . . . 51 D HA . 6515 1 461 . 1 1 51 51 ASP HB2 H 1 2.467 0.05 . 2 . . . . 51 D HB2 . 6515 1 462 . 1 1 51 51 ASP HB3 H 1 2.593 0.05 . 2 . . . . 51 D HB3 . 6515 1 463 . 1 1 51 51 ASP C C 13 173.386 0.15 . 1 . . . . 51 D C . 6515 1 464 . 1 1 51 51 ASP CA C 13 54.285 0.15 . 1 . . . . 51 D CA . 6515 1 465 . 1 1 51 51 ASP CB C 13 44.742 0.15 . 1 . . . . 51 D CB . 6515 1 466 . 1 1 51 51 ASP N N 15 114.995 0.10 . 1 . . . . 51 D N . 6515 1 467 . 1 1 52 52 VAL H H 1 8.056 0.05 . 1 . . . . 52 V H . 6515 1 468 . 1 1 52 52 VAL HA H 1 4.417 0.05 . 1 . . . . 52 V HA . 6515 1 469 . 1 1 52 52 VAL HB H 1 1.660 0.05 . 1 . . . . 52 V HB . 6515 1 470 . 1 1 52 52 VAL HG11 H 1 0.233 0.05 . 2 . . . . 52 V HG1 . 6515 1 471 . 1 1 52 52 VAL HG12 H 1 0.233 0.05 . 2 . . . . 52 V HG1 . 6515 1 472 . 1 1 52 52 VAL HG13 H 1 0.233 0.05 . 2 . . . . 52 V HG1 . 6515 1 473 . 1 1 52 52 VAL HG21 H 1 0.627 0.05 . 2 . . . . 52 V HG2 . 6515 1 474 . 1 1 52 52 VAL HG22 H 1 0.627 0.05 . 2 . . . . 52 V HG2 . 6515 1 475 . 1 1 52 52 VAL HG23 H 1 0.627 0.05 . 2 . . . . 52 V HG2 . 6515 1 476 . 1 1 52 52 VAL C C 13 172.921 0.15 . 1 . . . . 52 V C . 6515 1 477 . 1 1 52 52 VAL CA C 13 62.697 0.15 . 1 . . . . 52 V CA . 6515 1 478 . 1 1 52 52 VAL CB C 13 33.408 0.15 . 1 . . . . 52 V CB . 6515 1 479 . 1 1 52 52 VAL CG1 C 13 20.358 0.15 . 1 . . . . 52 V CG1 . 6515 1 480 . 1 1 52 52 VAL CG2 C 13 22.113 0.15 . 1 . . . . 52 V CG2 . 6515 1 481 . 1 1 52 52 VAL N N 15 121.671 0.10 . 1 . . . . 52 V N . 6515 1 482 . 1 1 53 53 ASP H H 1 8.699 0.05 . 1 . . . . 53 D H . 6515 1 483 . 1 1 53 53 ASP HA H 1 5.226 0.05 . 1 . . . . 53 D HA . 6515 1 484 . 1 1 53 53 ASP HB3 H 1 2.597 0.05 . 2 . . . . 53 D HB3 . 6515 1 485 . 1 1 53 53 ASP C C 13 174.322 0.15 . 1 . . . . 53 D C . 6515 1 486 . 1 1 53 53 ASP CA C 13 52.618 0.15 . 1 . . . . 53 D CA . 6515 1 487 . 1 1 53 53 ASP CB C 13 44.727 0.15 . 1 . . . . 53 D CB . 6515 1 488 . 1 1 53 53 ASP N N 15 124.613 0.10 . 1 . . . . 53 D N . 6515 1 489 . 1 1 54 54 PHE H H 1 8.975 0.05 . 1 . . . . 54 F H . 6515 1 490 . 1 1 54 54 PHE HA H 1 4.438 0.05 . 1 . . . . 54 F HA . 6515 1 491 . 1 1 54 54 PHE HB2 H 1 2.928 0.05 . 2 . . . . 54 F HB2 . 6515 1 492 . 1 1 54 54 PHE HB3 H 1 3.425 0.05 . 2 . . . . 54 F HB3 . 6515 1 493 . 1 1 54 54 PHE HD1 H 1 6.876 0.05 . 4 . . . . 54 F HD1 . 6515 1 494 . 1 1 54 54 PHE C C 13 173.051 0.15 . 1 . . . . 54 F C . 6515 1 495 . 1 1 54 54 PHE CA C 13 58.453 0.15 . 1 . . . . 54 F CA . 6515 1 496 . 1 1 54 54 PHE CB C 13 40.135 0.15 . 1 . . . . 54 F CB . 6515 1 497 . 1 1 54 54 PHE N N 15 124.437 0.10 . 1 . . . . 54 F N . 6515 1 498 . 1 1 55 55 LYS H H 1 8.369 0.05 . 1 . . . . 55 K H . 6515 1 499 . 1 1 55 55 LYS HA H 1 4.198 0.05 . 1 . . . . 55 K HA . 6515 1 500 . 1 1 55 55 LYS HB2 H 1 1.388 0.05 . 2 . . . . 55 K HB2 . 6515 1 501 . 1 1 55 55 LYS HB3 H 1 1.024 0.05 . 2 . . . . 55 K HB3 . 6515 1 502 . 1 1 55 55 LYS HG2 H 1 0.815 0.05 . 2 . . . . 55 K HG2 . 6515 1 503 . 1 1 55 55 LYS HG3 H 1 0.974 0.05 . 2 . . . . 55 K HG3 . 6515 1 504 . 1 1 55 55 LYS HD2 H 1 1.190 0.05 . 2 . . . . 55 K HD2 . 6515 1 505 . 1 1 55 55 LYS HE2 H 1 2.556 0.05 . 2 . . . . 55 K HE2 . 6515 1 506 . 1 1 55 55 LYS C C 13 174.333 0.15 . 1 . . . . 55 K C . 6515 1 507 . 1 1 55 55 LYS CA C 13 54.936 0.15 . 1 . . . . 55 K CA . 6515 1 508 . 1 1 55 55 LYS CB C 13 33.690 0.15 . 1 . . . . 55 K CB . 6515 1 509 . 1 1 55 55 LYS CG C 13 23.968 0.15 . 1 . . . . 55 K CG . 6515 1 510 . 1 1 55 55 LYS CD C 13 27.785 0.15 . 1 . . . . 55 K CD . 6515 1 511 . 1 1 55 55 LYS CE C 13 41.615 0.15 . 1 . . . . 55 K CE . 6515 1 512 . 1 1 55 55 LYS N N 15 127.399 0.10 . 1 . . . . 55 K N . 6515 1 513 . 1 1 56 56 GLY H H 1 6.377 0.05 . 1 . . . . 56 G H . 6515 1 514 . 1 1 56 56 GLY HA2 H 1 3.497 0.05 . 2 . . . . 56 G HA1 . 6515 1 515 . 1 1 56 56 GLY HA3 H 1 4.022 0.05 . 2 . . . . 56 G HA2 . 6515 1 516 . 1 1 56 56 GLY C C 13 168.852 0.15 . 1 . . . . 56 G C . 6515 1 517 . 1 1 56 56 GLY CA C 13 45.897 0.15 . 1 . . . . 56 G CA . 6515 1 518 . 1 1 56 56 GLY N N 15 105.669 0.10 . 1 . . . . 56 G N . 6515 1 519 . 1 1 57 57 VAL H H 1 8.371 0.05 . 1 . . . . 57 V H . 6515 1 520 . 1 1 57 57 VAL HA H 1 4.948 0.05 . 1 . . . . 57 V HA . 6515 1 521 . 1 1 57 57 VAL HB H 1 2.076 0.05 . 1 . . . . 57 V HB . 6515 1 522 . 1 1 57 57 VAL HG11 H 1 0.950 0.05 . 2 . . . . 57 V HG1 . 6515 1 523 . 1 1 57 57 VAL HG12 H 1 0.950 0.05 . 2 . . . . 57 V HG1 . 6515 1 524 . 1 1 57 57 VAL HG13 H 1 0.950 0.05 . 2 . . . . 57 V HG1 . 6515 1 525 . 1 1 57 57 VAL HG21 H 1 1.022 0.05 . 2 . . . . 57 V HG2 . 6515 1 526 . 1 1 57 57 VAL HG22 H 1 1.022 0.05 . 2 . . . . 57 V HG2 . 6515 1 527 . 1 1 57 57 VAL HG23 H 1 1.022 0.05 . 2 . . . . 57 V HG2 . 6515 1 528 . 1 1 57 57 VAL C C 13 172.754 0.15 . 1 . . . . 57 V C . 6515 1 529 . 1 1 57 57 VAL CA C 13 60.454 0.15 . 1 . . . . 57 V CA . 6515 1 530 . 1 1 57 57 VAL CB C 13 34.583 0.15 . 1 . . . . 57 V CB . 6515 1 531 . 1 1 57 57 VAL CG1 C 13 22.396 0.15 . 1 . . . . 57 V CG1 . 6515 1 532 . 1 1 57 57 VAL CG2 C 13 20.510 0.15 . 1 . . . . 57 V CG2 . 6515 1 533 . 1 1 57 57 VAL N N 15 116.952 0.10 . 1 . . . . 57 V N . 6515 1 534 . 1 1 58 58 THR H H 1 8.557 0.05 . 1 . . . . 58 T H . 6515 1 535 . 1 1 58 58 THR HA H 1 4.725 0.05 . 1 . . . . 58 T HA . 6515 1 536 . 1 1 58 58 THR HB H 1 4.535 0.05 . 1 . . . . 58 T HB . 6515 1 537 . 1 1 58 58 THR HG21 H 1 1.175 0.05 . 1 . . . . 58 T HG2 . 6515 1 538 . 1 1 58 58 THR HG22 H 1 1.175 0.05 . 1 . . . . 58 T HG2 . 6515 1 539 . 1 1 58 58 THR HG23 H 1 1.175 0.05 . 1 . . . . 58 T HG2 . 6515 1 540 . 1 1 58 58 THR C C 13 173.611 0.15 . 1 . . . . 58 T C . 6515 1 541 . 1 1 58 58 THR CA C 13 60.103 0.15 . 1 . . . . 58 T CA . 6515 1 542 . 1 1 58 58 THR CB C 13 73.150 0.15 . 1 . . . . 58 T CB . 6515 1 543 . 1 1 58 58 THR CG2 C 13 21.807 0.15 . 1 . . . . 58 T CG2 . 6515 1 544 . 1 1 58 58 THR N N 15 117.045 0.10 . 1 . . . . 58 T N . 6515 1 545 . 1 1 59 59 ARG H H 1 8.627 0.05 . 1 . . . . 59 R H . 6515 1 546 . 1 1 59 59 ARG HA H 1 3.692 0.05 . 1 . . . . 59 R HA . 6515 1 547 . 1 1 59 59 ARG HB3 H 1 1.697 0.05 . 2 . . . . 59 R HB3 . 6515 1 548 . 1 1 59 59 ARG HG2 H 1 1.499 0.05 . 2 . . . . 59 R HG2 . 6515 1 549 . 1 1 59 59 ARG HD2 H 1 2.955 0.05 . 2 . . . . 59 R HD2 . 6515 1 550 . 1 1 59 59 ARG C C 13 174.871 0.15 . 1 . . . . 59 R C . 6515 1 551 . 1 1 59 59 ARG CA C 13 57.931 0.15 . 1 . . . . 59 R CA . 6515 1 552 . 1 1 59 59 ARG CB C 13 29.362 0.15 . 1 . . . . 59 R CB . 6515 1 553 . 1 1 59 59 ARG CG C 13 27.213 0.15 . 1 . . . . 59 R CG . 6515 1 554 . 1 1 59 59 ARG CD C 13 43.166 0.15 . 1 . . . . 59 R CD . 6515 1 555 . 1 1 59 59 ARG N N 15 118.005 0.10 . 1 . . . . 59 R N . 6515 1 556 . 1 1 60 60 ASP H H 1 8.047 0.05 . 1 . . . . 60 D H . 6515 1 557 . 1 1 60 60 ASP HA H 1 4.763 0.05 . 1 . . . . 60 D HA . 6515 1 558 . 1 1 60 60 ASP HB2 H 1 2.695 0.05 . 2 . . . . 60 D HB2 . 6515 1 559 . 1 1 60 60 ASP HB3 H 1 2.413 0.05 . 2 . . . . 60 D HB3 . 6515 1 560 . 1 1 60 60 ASP C C 13 176.142 0.15 . 1 . . . . 60 D C . 6515 1 561 . 1 1 60 60 ASP CA C 13 54.700 0.15 . 1 . . . . 60 D CA . 6515 1 562 . 1 1 60 60 ASP CB C 13 41.757 0.15 . 1 . . . . 60 D CB . 6515 1 563 . 1 1 60 60 ASP N N 15 114.526 0.10 . 1 . . . . 60 D N . 6515 1 564 . 1 1 61 61 GLY H H 1 7.864 0.05 . 1 . . . . 61 G H . 6515 1 565 . 1 1 61 61 GLY HA2 H 1 3.606 0.05 . 2 . . . . 61 G HA1 . 6515 1 566 . 1 1 61 61 GLY HA3 H 1 4.854 0.05 . 2 . . . . 61 G HA2 . 6515 1 567 . 1 1 61 61 GLY C C 13 170.268 0.15 . 1 . . . . 61 G C . 6515 1 568 . 1 1 61 61 GLY CA C 13 44.788 0.15 . 1 . . . . 61 G CA . 6515 1 569 . 1 1 61 61 GLY N N 15 108.624 0.10 . 1 . . . . 61 G N . 6515 1 570 . 1 1 62 62 VAL H H 1 9.256 0.05 . 1 . . . . 62 V H . 6515 1 571 . 1 1 62 62 VAL HA H 1 4.268 0.05 . 1 . . . . 62 V HA . 6515 1 572 . 1 1 62 62 VAL HB H 1 2.028 0.05 . 1 . . . . 62 V HB . 6515 1 573 . 1 1 62 62 VAL HG11 H 1 0.934 0.05 . 2 . . . . 62 V HG1 . 6515 1 574 . 1 1 62 62 VAL HG12 H 1 0.934 0.05 . 2 . . . . 62 V HG1 . 6515 1 575 . 1 1 62 62 VAL HG13 H 1 0.934 0.05 . 2 . . . . 62 V HG1 . 6515 1 576 . 1 1 62 62 VAL HG21 H 1 0.940 0.05 . 2 . . . . 62 V HG2 . 6515 1 577 . 1 1 62 62 VAL HG22 H 1 0.940 0.05 . 2 . . . . 62 V HG2 . 6515 1 578 . 1 1 62 62 VAL HG23 H 1 0.940 0.05 . 2 . . . . 62 V HG2 . 6515 1 579 . 1 1 62 62 VAL C C 13 172.765 0.15 . 1 . . . . 62 V C . 6515 1 580 . 1 1 62 62 VAL CA C 13 62.228 0.15 . 1 . . . . 62 V CA . 6515 1 581 . 1 1 62 62 VAL CB C 13 33.619 0.15 . 1 . . . . 62 V CB . 6515 1 582 . 1 1 62 62 VAL CG1 C 13 21.370 0.15 . 1 . . . . 62 V CG1 . 6515 1 583 . 1 1 62 62 VAL CG2 C 13 23.130 0.15 . 1 . . . . 62 V CG2 . 6515 1 584 . 1 1 62 62 VAL N N 15 122.005 0.10 . 1 . . . . 62 V N . 6515 1 585 . 1 1 63 63 ASP H H 1 8.909 0.05 . 1 . . . . 63 D H . 6515 1 586 . 1 1 63 63 ASP HA H 1 5.076 0.05 . 1 . . . . 63 D HA . 6515 1 587 . 1 1 63 63 ASP HB2 H 1 2.275 0.05 . 2 . . . . 63 D HB2 . 6515 1 588 . 1 1 63 63 ASP HB3 H 1 2.469 0.05 . 2 . . . . 63 D HB3 . 6515 1 589 . 1 1 63 63 ASP C C 13 173.362 0.15 . 1 . . . . 63 D C . 6515 1 590 . 1 1 63 63 ASP CA C 13 54.433 0.15 . 1 . . . . 63 D CA . 6515 1 591 . 1 1 63 63 ASP CB C 13 42.645 0.15 . 1 . . . . 63 D CB . 6515 1 592 . 1 1 63 63 ASP N N 15 126.844 0.10 . 1 . . . . 63 D N . 6515 1 593 . 1 1 64 64 TYR H H 1 8.763 0.05 . 1 . . . . 64 Y H . 6515 1 594 . 1 1 64 64 TYR HA H 1 5.092 0.05 . 1 . . . . 64 Y HA . 6515 1 595 . 1 1 64 64 TYR HB2 H 1 2.506 0.05 . 2 . . . . 64 Y HB2 . 6515 1 596 . 1 1 64 64 TYR HB3 H 1 2.565 0.05 . 2 . . . . 64 Y HB3 . 6515 1 597 . 1 1 64 64 TYR HD1 H 1 6.740 0.05 . 4 . . . . 64 Y HD1 . 6515 1 598 . 1 1 64 64 TYR C C 13 174.309 0.15 . 1 . . . . 64 Y C . 6515 1 599 . 1 1 64 64 TYR CA C 13 56.934 0.15 . 1 . . . . 64 Y CA . 6515 1 600 . 1 1 64 64 TYR CB C 13 41.492 0.15 . 1 . . . . 64 Y CB . 6515 1 601 . 1 1 64 64 TYR N N 15 121.887 0.10 . 1 . . . . 64 Y N . 6515 1 602 . 1 1 65 65 HIS H H 1 9.274 0.05 . 1 . . . . 65 H H . 6515 1 603 . 1 1 65 65 HIS HA H 1 5.261 0.05 . 1 . . . . 65 H HA . 6515 1 604 . 1 1 65 65 HIS HB3 H 1 2.903 0.05 . 2 . . . . 65 H HB3 . 6515 1 605 . 1 1 65 65 HIS C C 13 172.102 0.15 . 1 . . . . 65 H C . 6515 1 606 . 1 1 65 65 HIS CA C 13 54.241 0.15 . 1 . . . . 65 H CA . 6515 1 607 . 1 1 65 65 HIS CB C 13 32.188 0.15 . 1 . . . . 65 H CB . 6515 1 608 . 1 1 65 65 HIS N N 15 118.910 0.10 . 1 . . . . 65 H N . 6515 1 609 . 1 1 66 66 ALA H H 1 9.000 0.05 . 1 . . . . 66 A H . 6515 1 610 . 1 1 66 66 ALA HA H 1 5.140 0.05 . 1 . . . . 66 A HA . 6515 1 611 . 1 1 66 66 ALA HB1 H 1 0.974 0.05 . 1 . . . . 66 A HB . 6515 1 612 . 1 1 66 66 ALA HB2 H 1 0.974 0.05 . 1 . . . . 66 A HB . 6515 1 613 . 1 1 66 66 ALA HB3 H 1 0.974 0.05 . 1 . . . . 66 A HB . 6515 1 614 . 1 1 66 66 ALA C C 13 173.574 0.15 . 1 . . . . 66 A C . 6515 1 615 . 1 1 66 66 ALA CA C 13 49.647 0.15 . 1 . . . . 66 A CA . 6515 1 616 . 1 1 66 66 ALA CB C 13 20.425 0.15 . 1 . . . . 66 A CB . 6515 1 617 . 1 1 66 66 ALA N N 15 127.554 0.10 . 1 . . . . 66 A N . 6515 1 618 . 1 1 67 67 LYS H H 1 8.513 0.05 . 1 . . . . 67 K H . 6515 1 619 . 1 1 67 67 LYS HA H 1 5.000 0.05 . 1 . . . . 67 K HA . 6515 1 620 . 1 1 67 67 LYS HB3 H 1 1.690 0.05 . 2 . . . . 67 K HB3 . 6515 1 621 . 1 1 67 67 LYS HG2 H 1 1.365 0.05 . 2 . . . . 67 K HG2 . 6515 1 622 . 1 1 67 67 LYS HD2 H 1 1.549 0.05 . 2 . . . . 67 K HD2 . 6515 1 623 . 1 1 67 67 LYS HE2 H 1 2.863 0.05 . 2 . . . . 67 K HE2 . 6515 1 624 . 1 1 67 67 LYS C C 13 174.212 0.15 . 1 . . . . 67 K C . 6515 1 625 . 1 1 67 67 LYS CA C 13 54.913 0.15 . 1 . . . . 67 K CA . 6515 1 626 . 1 1 67 67 LYS CB C 13 33.798 0.15 . 1 . . . . 67 K CB . 6515 1 627 . 1 1 67 67 LYS CG C 13 24.641 0.15 . 1 . . . . 67 K CG . 6515 1 628 . 1 1 67 67 LYS CD C 13 29.189 0.15 . 1 . . . . 67 K CD . 6515 1 629 . 1 1 67 67 LYS N N 15 124.588 0.10 . 1 . . . . 67 K N . 6515 1 630 . 1 1 68 68 VAL H H 1 8.947 0.05 . 1 . . . . 68 V H . 6515 1 631 . 1 1 68 68 VAL HA H 1 4.928 0.05 . 1 . . . . 68 V HA . 6515 1 632 . 1 1 68 68 VAL HB H 1 1.956 0.05 . 1 . . . . 68 V HB . 6515 1 633 . 1 1 68 68 VAL HG11 H 1 0.767 0.05 . 1 . . . . 68 V HG1 . 6515 1 634 . 1 1 68 68 VAL HG12 H 1 0.767 0.05 . 1 . . . . 68 V HG1 . 6515 1 635 . 1 1 68 68 VAL HG13 H 1 0.767 0.05 . 1 . . . . 68 V HG1 . 6515 1 636 . 1 1 68 68 VAL C C 13 173.800 0.15 . 1 . . . . 68 V C . 6515 1 637 . 1 1 68 68 VAL CA C 13 60.123 0.15 . 1 . . . . 68 V CA . 6515 1 638 . 1 1 68 68 VAL CB C 13 34.773 0.15 . 1 . . . . 68 V CB . 6515 1 639 . 1 1 68 68 VAL CG1 C 13 21.659 0.15 . 1 . . . . 68 V CG1 . 6515 1 640 . 1 1 68 68 VAL N N 15 126.781 0.10 . 1 . . . . 68 V N . 6515 1 641 . 1 1 69 69 SER H H 1 8.862 0.05 . 1 . . . . 69 S H . 6515 1 642 . 1 1 69 69 SER HA H 1 5.075 0.05 . 1 . . . . 69 S HA . 6515 1 643 . 1 1 69 69 SER HB2 H 1 3.801 0.05 . 2 . . . . 69 S HB2 . 6515 1 644 . 1 1 69 69 SER HB3 H 1 3.589 0.05 . 2 . . . . 69 S HB3 . 6515 1 645 . 1 1 69 69 SER C C 13 173.553 0.15 . 1 . . . . 69 S C . 6515 1 646 . 1 1 69 69 SER CA C 13 58.682 0.15 . 1 . . . . 69 S CA . 6515 1 647 . 1 1 69 69 SER CB C 13 64.061 0.15 . 1 . . . . 69 S CB . 6515 1 648 . 1 1 69 69 SER N N 15 124.340 0.10 . 1 . . . . 69 S N . 6515 1 649 . 1 1 70 70 VAL H H 1 9.301 0.05 . 1 . . . . 70 V H . 6515 1 650 . 1 1 70 70 VAL HA H 1 5.035 0.05 . 1 . . . . 70 V HA . 6515 1 651 . 1 1 70 70 VAL HB H 1 2.096 0.05 . 1 . . . . 70 V HB . 6515 1 652 . 1 1 70 70 VAL HG11 H 1 0.813 0.05 . 2 . . . . 70 V HG1 . 6515 1 653 . 1 1 70 70 VAL HG12 H 1 0.813 0.05 . 2 . . . . 70 V HG1 . 6515 1 654 . 1 1 70 70 VAL HG13 H 1 0.813 0.05 . 2 . . . . 70 V HG1 . 6515 1 655 . 1 1 70 70 VAL HG21 H 1 0.820 0.05 . 2 . . . . 70 V HG2 . 6515 1 656 . 1 1 70 70 VAL HG22 H 1 0.820 0.05 . 2 . . . . 70 V HG2 . 6515 1 657 . 1 1 70 70 VAL HG23 H 1 0.820 0.05 . 2 . . . . 70 V HG2 . 6515 1 658 . 1 1 70 70 VAL C C 13 173.727 0.15 . 1 . . . . 70 V C . 6515 1 659 . 1 1 70 70 VAL CA C 13 60.456 0.15 . 1 . . . . 70 V CA . 6515 1 660 . 1 1 70 70 VAL CB C 13 33.791 0.15 . 1 . . . . 70 V CB . 6515 1 661 . 1 1 70 70 VAL CG1 C 13 21.889 0.15 . 1 . . . . 70 V CG1 . 6515 1 662 . 1 1 70 70 VAL CG2 C 13 24.336 0.15 . 1 . . . . 70 V CG2 . 6515 1 663 . 1 1 70 70 VAL N N 15 124.108 0.10 . 1 . . . . 70 V N . 6515 1 664 . 1 1 71 71 LYS H H 1 9.220 0.05 . 1 . . . . 71 K H . 6515 1 665 . 1 1 71 71 LYS HA H 1 4.877 0.05 . 1 . . . . 71 K HA . 6515 1 666 . 1 1 71 71 LYS HB3 H 1 1.990 0.05 . 2 . . . . 71 K HB3 . 6515 1 667 . 1 1 71 71 LYS HG2 H 1 1.758 0.05 . 2 . . . . 71 K HG2 . 6515 1 668 . 1 1 71 71 LYS HG3 H 1 1.337 0.05 . 2 . . . . 71 K HG3 . 6515 1 669 . 1 1 71 71 LYS C C 13 172.273 0.15 . 1 . . . . 71 K C . 6515 1 670 . 1 1 71 71 LYS CA C 13 55.823 0.15 . 1 . . . . 71 K CA . 6515 1 671 . 1 1 71 71 LYS CB C 13 33.990 0.15 . 1 . . . . 71 K CB . 6515 1 672 . 1 1 71 71 LYS N N 15 129.012 0.10 . 1 . . . . 71 K N . 6515 1 673 . 1 1 72 72 ASN H H 1 8.384 0.05 . 1 . . . . 72 N H . 6515 1 674 . 1 1 72 72 ASN HA H 1 5.061 0.05 . 1 . . . . 72 N HA . 6515 1 675 . 1 1 72 72 ASN HB2 H 1 3.508 0.05 . 2 . . . . 72 N HB2 . 6515 1 676 . 1 1 72 72 ASN HB3 H 1 2.892 0.05 . 2 . . . . 72 N HB3 . 6515 1 677 . 1 1 72 72 ASN HD21 H 1 7.082 0.05 . 2 . . . . 72 N HD21 . 6515 1 678 . 1 1 72 72 ASN HD22 H 1 6.433 0.05 . 2 . . . . 72 N HD22 . 6515 1 679 . 1 1 72 72 ASN CA C 13 48.633 0.15 . 1 . . . . 72 N CA . 6515 1 680 . 1 1 72 72 ASN CB C 13 41.993 0.15 . 1 . . . . 72 N CB . 6515 1 681 . 1 1 72 72 ASN N N 15 122.706 0.10 . 1 . . . . 72 N N . 6515 1 682 . 1 1 72 72 ASN ND2 N 15 109.198 0.10 . 1 . . . . 72 N ND2 . 6515 1 683 . 1 1 73 73 PRO HA H 1 4.419 0.05 . 1 . . . . 73 P HA . 6515 1 684 . 1 1 73 73 PRO HB2 H 1 2.082 0.05 . 2 . . . . 73 P HB2 . 6515 1 685 . 1 1 73 73 PRO HB3 H 1 1.638 0.05 . 2 . . . . 73 P HB3 . 6515 1 686 . 1 1 73 73 PRO HG2 H 1 1.251 0.05 . 2 . . . . 73 P HG2 . 6515 1 687 . 1 1 73 73 PRO C C 13 176.177 0.15 . 1 . . . . 73 P C . 6515 1 688 . 1 1 73 73 PRO CA C 13 62.798 0.15 . 1 . . . . 73 P CA . 6515 1 689 . 1 1 73 73 PRO CB C 13 31.794 0.15 . 1 . . . . 73 P CB . 6515 1 690 . 1 1 74 74 TYR H H 1 7.834 0.05 . 1 . . . . 74 Y H . 6515 1 691 . 1 1 74 74 TYR HA H 1 4.369 0.05 . 1 . . . . 74 Y HA . 6515 1 692 . 1 1 74 74 TYR HB3 H 1 3.251 0.05 . 2 . . . . 74 Y HB3 . 6515 1 693 . 1 1 74 74 TYR HD1 H 1 7.359 0.05 . 4 . . . . 74 Y HD1 . 6515 1 694 . 1 1 74 74 TYR C C 13 174.390 0.15 . 1 . . . . 74 Y C . 6515 1 695 . 1 1 74 74 TYR CA C 13 58.774 0.15 . 1 . . . . 74 Y CA . 6515 1 696 . 1 1 74 74 TYR CB C 13 37.980 0.15 . 1 . . . . 74 Y CB . 6515 1 697 . 1 1 74 74 TYR N N 15 121.441 0.10 . 1 . . . . 74 Y N . 6515 1 698 . 1 1 75 75 SER H H 1 8.786 0.05 . 1 . . . . 75 S H . 6515 1 699 . 1 1 75 75 SER HA H 1 4.557 0.05 . 1 . . . . 75 S HA . 6515 1 700 . 1 1 75 75 SER HB2 H 1 3.926 0.05 . 2 . . . . 75 S HB2 . 6515 1 701 . 1 1 75 75 SER C C 13 173.814 0.15 . 1 . . . . 75 S C . 6515 1 702 . 1 1 75 75 SER CA C 13 58.716 0.15 . 1 . . . . 75 S CA . 6515 1 703 . 1 1 75 75 SER CB C 13 62.983 0.15 . 1 . . . . 75 S CB . 6515 1 704 . 1 1 75 75 SER N N 15 116.330 0.10 . 1 . . . . 75 S N . 6515 1 705 . 1 1 76 76 GLN H H 1 7.999 0.05 . 1 . . . . 76 Q H . 6515 1 706 . 1 1 76 76 GLN HA H 1 4.532 0.05 . 1 . . . . 76 Q HA . 6515 1 707 . 1 1 76 76 GLN HB2 H 1 2.084 0.05 . 2 . . . . 76 Q HB2 . 6515 1 708 . 1 1 76 76 GLN HG2 H 1 2.307 0.05 . 2 . . . . 76 Q HG2 . 6515 1 709 . 1 1 76 76 GLN HE21 H 1 6.900 0.05 . 2 . . . . 76 Q HE21 . 6515 1 710 . 1 1 76 76 GLN HE22 H 1 7.596 0.05 . 2 . . . . 76 Q HE22 . 6515 1 711 . 1 1 76 76 GLN C C 13 173.231 0.15 . 1 . . . . 76 Q C . 6515 1 712 . 1 1 76 76 GLN CA C 13 54.457 0.15 . 1 . . . . 76 Q CA . 6515 1 713 . 1 1 76 76 GLN CB C 13 30.632 0.15 . 1 . . . . 76 Q CB . 6515 1 714 . 1 1 76 76 GLN CG C 13 33.300 0.15 . 1 . . . . 76 Q CG . 6515 1 715 . 1 1 76 76 GLN N N 15 119.916 0.10 . 1 . . . . 76 Q N . 6515 1 716 . 1 1 76 76 GLN NE2 N 15 112.014 0.10 . 1 . . . . 76 Q NE2 . 6515 1 717 . 1 1 77 77 SER H H 1 8.271 0.05 . 1 . . . . 77 S H . 6515 1 718 . 1 1 77 77 SER HA H 1 4.663 0.05 . 1 . . . . 77 S HA . 6515 1 719 . 1 1 77 77 SER HB2 H 1 3.788 0.05 . 2 . . . . 77 S HB2 . 6515 1 720 . 1 1 77 77 SER HB3 H 1 3.728 0.05 . 2 . . . . 77 S HB3 . 6515 1 721 . 1 1 77 77 SER C C 13 173.721 0.15 . 1 . . . . 77 S C . 6515 1 722 . 1 1 77 77 SER CA C 13 58.047 0.15 . 1 . . . . 77 S CA . 6515 1 723 . 1 1 77 77 SER CB C 13 63.545 0.15 . 1 . . . . 77 S CB . 6515 1 724 . 1 1 77 77 SER N N 15 115.261 0.10 . 1 . . . . 77 S N . 6515 1 725 . 1 1 78 78 ILE H H 1 7.758 0.05 . 1 . . . . 78 I H . 6515 1 726 . 1 1 78 78 ILE HA H 1 4.857 0.05 . 1 . . . . 78 I HA . 6515 1 727 . 1 1 78 78 ILE HB H 1 1.793 0.05 . 1 . . . . 78 I HB . 6515 1 728 . 1 1 78 78 ILE HG21 H 1 0.836 0.05 . 2 . . . . 78 I HG2 . 6515 1 729 . 1 1 78 78 ILE HG22 H 1 0.836 0.05 . 2 . . . . 78 I HG2 . 6515 1 730 . 1 1 78 78 ILE HG23 H 1 0.836 0.05 . 2 . . . . 78 I HG2 . 6515 1 731 . 1 1 78 78 ILE HD11 H 1 0.583 0.05 . 2 . . . . 78 I HD1 . 6515 1 732 . 1 1 78 78 ILE HD12 H 1 0.583 0.05 . 2 . . . . 78 I HD1 . 6515 1 733 . 1 1 78 78 ILE HD13 H 1 0.583 0.05 . 2 . . . . 78 I HD1 . 6515 1 734 . 1 1 78 78 ILE CA C 13 55.005 0.15 . 1 . . . . 78 I CA . 6515 1 735 . 1 1 78 78 ILE CB C 13 40.887 0.15 . 1 . . . . 78 I CB . 6515 1 736 . 1 1 78 78 ILE CG2 C 13 16.932 0.15 . 1 . . . . 78 I CG2 . 6515 1 737 . 1 1 78 78 ILE CD1 C 13 11.691 0.15 . 1 . . . . 78 I CD1 . 6515 1 738 . 1 1 78 78 ILE N N 15 124.695 0.10 . 1 . . . . 78 I N . 6515 1 739 . 1 1 79 79 PRO HA H 1 4.479 0.05 . 1 . . . . 79 P HA . 6515 1 740 . 1 1 79 79 PRO HB3 H 1 2.390 0.05 . 2 . . . . 79 P HB3 . 6515 1 741 . 1 1 79 79 PRO C C 13 174.570 0.15 . 1 . . . . 79 P C . 6515 1 742 . 1 1 79 79 PRO CA C 13 63.785 0.15 . 1 . . . . 79 P CA . 6515 1 743 . 1 1 79 79 PRO CB C 13 32.873 0.15 . 1 . . . . 79 P CB . 6515 1 744 . 1 1 80 80 ILE H H 1 8.515 0.05 . 1 . . . . 80 I H . 6515 1 745 . 1 1 80 80 ILE HA H 1 4.542 0.05 . 1 . . . . 80 I HA . 6515 1 746 . 1 1 80 80 ILE HB H 1 1.848 0.05 . 1 . . . . 80 I HB . 6515 1 747 . 1 1 80 80 ILE HG21 H 1 0.570 0.05 . 2 . . . . 80 I HG2 . 6515 1 748 . 1 1 80 80 ILE HG22 H 1 0.570 0.05 . 2 . . . . 80 I HG2 . 6515 1 749 . 1 1 80 80 ILE HG23 H 1 0.570 0.05 . 2 . . . . 80 I HG2 . 6515 1 750 . 1 1 80 80 ILE HD11 H 1 0.752 0.05 . 2 . . . . 80 I HD1 . 6515 1 751 . 1 1 80 80 ILE HD12 H 1 0.752 0.05 . 2 . . . . 80 I HD1 . 6515 1 752 . 1 1 80 80 ILE HD13 H 1 0.752 0.05 . 2 . . . . 80 I HD1 . 6515 1 753 . 1 1 80 80 ILE C C 13 175.069 0.15 . 1 . . . . 80 I C . 6515 1 754 . 1 1 80 80 ILE CA C 13 60.360 0.15 . 1 . . . . 80 I CA . 6515 1 755 . 1 1 80 80 ILE CB C 13 37.878 0.15 . 1 . . . . 80 I CB . 6515 1 756 . 1 1 80 80 ILE CG2 C 13 18.011 0.15 . 1 . . . . 80 I CG2 . 6515 1 757 . 1 1 80 80 ILE CD1 C 13 15.276 0.15 . 1 . . . . 80 I CD1 . 6515 1 758 . 1 1 80 80 ILE N N 15 122.452 0.10 . 1 . . . . 80 I N . 6515 1 759 . 1 1 81 81 CYS H H 1 8.971 0.05 . 1 . . . . 81 C H . 6515 1 760 . 1 1 81 81 CYS HA H 1 4.436 0.05 . 1 . . . . 81 C HA . 6515 1 761 . 1 1 81 81 CYS HB2 H 1 3.188 0.05 . 2 . . . . 81 C HB2 . 6515 1 762 . 1 1 81 81 CYS HB3 H 1 2.288 0.05 . 2 . . . . 81 C HB3 . 6515 1 763 . 1 1 81 81 CYS C C 13 175.464 0.15 . 1 . . . . 81 C C . 6515 1 764 . 1 1 81 81 CYS CA C 13 59.470 0.15 . 1 . . . . 81 C CA . 6515 1 765 . 1 1 81 81 CYS CB C 13 27.937 0.15 . 1 . . . . 81 C CB . 6515 1 766 . 1 1 81 81 CYS N N 15 126.438 0.10 . 1 . . . . 81 C N . 6515 1 767 . 1 1 82 82 GLN H H 1 7.356 0.05 . 1 . . . . 82 Q H . 6515 1 768 . 1 1 82 82 GLN HA H 1 4.603 0.05 . 1 . . . . 82 Q HA . 6515 1 769 . 1 1 82 82 GLN HB3 H 1 1.760 0.05 . 2 . . . . 82 Q HB3 . 6515 1 770 . 1 1 82 82 GLN HG2 H 1 2.017 0.05 . 2 . . . . 82 Q HG2 . 6515 1 771 . 1 1 82 82 GLN HE21 H 1 7.264 0.05 . 2 . . . . 82 Q HE21 . 6515 1 772 . 1 1 82 82 GLN HE22 H 1 6.681 0.05 . 2 . . . . 82 Q HE22 . 6515 1 773 . 1 1 82 82 GLN C C 13 174.049 0.15 . 1 . . . . 82 Q C . 6515 1 774 . 1 1 82 82 GLN CA C 13 55.691 0.15 . 1 . . . . 82 Q CA . 6515 1 775 . 1 1 82 82 GLN CB C 13 32.175 0.15 . 1 . . . . 82 Q CB . 6515 1 776 . 1 1 82 82 GLN CG C 13 33.952 0.15 . 1 . . . . 82 Q CG . 6515 1 777 . 1 1 82 82 GLN N N 15 113.009 0.10 . 1 . . . . 82 Q N . 6515 1 778 . 1 1 82 82 GLN NE2 N 15 111.206 0.10 . 1 . . . . 82 Q NE2 . 6515 1 779 . 1 1 83 83 ILE H H 1 8.425 0.05 . 1 . . . . 83 I H . 6515 1 780 . 1 1 83 83 ILE HA H 1 4.878 0.05 . 1 . . . . 83 I HA . 6515 1 781 . 1 1 83 83 ILE HB H 1 1.634 0.05 . 1 . . . . 83 I HB . 6515 1 782 . 1 1 83 83 ILE HG21 H 1 0.872 0.05 . 2 . . . . 83 I HG2 . 6515 1 783 . 1 1 83 83 ILE HG22 H 1 0.872 0.05 . 2 . . . . 83 I HG2 . 6515 1 784 . 1 1 83 83 ILE HG23 H 1 0.872 0.05 . 2 . . . . 83 I HG2 . 6515 1 785 . 1 1 83 83 ILE C C 13 173.176 0.15 . 1 . . . . 83 I C . 6515 1 786 . 1 1 83 83 ILE CA C 13 60.527 0.15 . 1 . . . . 83 I CA . 6515 1 787 . 1 1 83 83 ILE CB C 13 41.795 0.15 . 1 . . . . 83 I CB . 6515 1 788 . 1 1 83 83 ILE CG1 C 13 27.937 0.15 . 1 . . . . 83 I CG1 . 6515 1 789 . 1 1 83 83 ILE CG2 C 13 17.485 0.15 . 1 . . . . 83 I CG2 . 6515 1 790 . 1 1 83 83 ILE CD1 C 13 14.680 0.15 . 1 . . . . 83 I CD1 . 6515 1 791 . 1 1 83 83 ILE N N 15 122.714 0.10 . 1 . . . . 83 I N . 6515 1 792 . 1 1 84 84 SER H H 1 9.224 0.05 . 1 . . . . 84 S H . 6515 1 793 . 1 1 84 84 SER HA H 1 5.593 0.05 . 1 . . . . 84 S HA . 6515 1 794 . 1 1 84 84 SER HB2 H 1 3.762 0.05 . 2 . . . . 84 S HB2 . 6515 1 795 . 1 1 84 84 SER HB3 H 1 3.507 0.05 . 2 . . . . 84 S HB3 . 6515 1 796 . 1 1 84 84 SER C C 13 171.801 0.15 . 1 . . . . 84 S C . 6515 1 797 . 1 1 84 84 SER CA C 13 56.556 0.15 . 1 . . . . 84 S CA . 6515 1 798 . 1 1 84 84 SER CB C 13 66.479 0.15 . 1 . . . . 84 S CB . 6515 1 799 . 1 1 84 84 SER N N 15 123.134 0.10 . 1 . . . . 84 S N . 6515 1 800 . 1 1 85 85 TYR H H 1 8.733 0.05 . 1 . . . . 85 Y H . 6515 1 801 . 1 1 85 85 TYR HA H 1 5.908 0.05 . 1 . . . . 85 Y HA . 6515 1 802 . 1 1 85 85 TYR HB2 H 1 2.595 0.05 . 2 . . . . 85 Y HB2 . 6515 1 803 . 1 1 85 85 TYR HB3 H 1 2.755 0.05 . 2 . . . . 85 Y HB3 . 6515 1 804 . 1 1 85 85 TYR HD1 H 1 6.436 0.05 . 4 . . . . 85 Y HD1 . 6515 1 805 . 1 1 85 85 TYR C C 13 172.106 0.15 . 1 . . . . 85 Y C . 6515 1 806 . 1 1 85 85 TYR CA C 13 56.094 0.15 . 1 . . . . 85 Y CA . 6515 1 807 . 1 1 85 85 TYR CB C 13 42.681 0.15 . 1 . . . . 85 Y CB . 6515 1 808 . 1 1 85 85 TYR N N 15 117.498 0.10 . 1 . . . . 85 Y N . 6515 1 809 . 1 1 86 86 ILE H H 1 9.058 0.05 . 1 . . . . 86 I H . 6515 1 810 . 1 1 86 86 ILE HA H 1 4.342 0.05 . 1 . . . . 86 I HA . 6515 1 811 . 1 1 86 86 ILE HB H 1 1.752 0.05 . 1 . . . . 86 I HB . 6515 1 812 . 1 1 86 86 ILE HG21 H 1 0.979 0.05 . 1 . . . . 86 I HG2 . 6515 1 813 . 1 1 86 86 ILE HG22 H 1 0.979 0.05 . 1 . . . . 86 I HG2 . 6515 1 814 . 1 1 86 86 ILE HG23 H 1 0.979 0.05 . 1 . . . . 86 I HG2 . 6515 1 815 . 1 1 86 86 ILE C C 13 172.389 0.15 . 1 . . . . 86 I C . 6515 1 816 . 1 1 86 86 ILE CA C 13 61.998 0.15 . 1 . . . . 86 I CA . 6515 1 817 . 1 1 86 86 ILE CB C 13 42.982 0.15 . 1 . . . . 86 I CB . 6515 1 818 . 1 1 86 86 ILE CG2 C 13 19.202 0.15 . 1 . . . . 86 I CG2 . 6515 1 819 . 1 1 86 86 ILE CD1 C 13 14.404 0.15 . 1 . . . . 86 I CD1 . 6515 1 820 . 1 1 86 86 ILE N N 15 118.392 0.10 . 1 . . . . 86 I N . 6515 1 821 . 1 1 87 87 LEU H H 1 9.337 0.05 . 1 . . . . 87 L H . 6515 1 822 . 1 1 87 87 LEU HA H 1 5.390 0.05 . 1 . . . . 87 L HA . 6515 1 823 . 1 1 87 87 LEU HB2 H 1 0.976 0.05 . 2 . . . . 87 L HB2 . 6515 1 824 . 1 1 87 87 LEU HB3 H 1 2.073 0.05 . 2 . . . . 87 L HB3 . 6515 1 825 . 1 1 87 87 LEU HG H 1 1.316 0.05 . 1 . . . . 87 L HG . 6515 1 826 . 1 1 87 87 LEU HD11 H 1 0.395 0.05 . 2 . . . . 87 L HD1 . 6515 1 827 . 1 1 87 87 LEU HD12 H 1 0.395 0.05 . 2 . . . . 87 L HD1 . 6515 1 828 . 1 1 87 87 LEU HD13 H 1 0.395 0.05 . 2 . . . . 87 L HD1 . 6515 1 829 . 1 1 87 87 LEU HD21 H 1 0.754 0.05 . 2 . . . . 87 L HD2 . 6515 1 830 . 1 1 87 87 LEU HD22 H 1 0.754 0.05 . 2 . . . . 87 L HD2 . 6515 1 831 . 1 1 87 87 LEU HD23 H 1 0.754 0.05 . 2 . . . . 87 L HD2 . 6515 1 832 . 1 1 87 87 LEU C C 13 173.428 0.15 . 1 . . . . 87 L C . 6515 1 833 . 1 1 87 87 LEU CA C 13 53.330 0.15 . 1 . . . . 87 L CA . 6515 1 834 . 1 1 87 87 LEU CB C 13 46.160 0.15 . 1 . . . . 87 L CB . 6515 1 835 . 1 1 87 87 LEU CD1 C 13 25.539 0.15 . 1 . . . . 87 L CD1 . 6515 1 836 . 1 1 87 87 LEU CD2 C 13 25.094 0.15 . 1 . . . . 87 L CD2 . 6515 1 837 . 1 1 87 87 LEU N N 15 130.089 0.10 . 1 . . . . 87 L N . 6515 1 838 . 1 1 88 88 LYS H H 1 9.546 0.05 . 1 . . . . 88 K H . 6515 1 839 . 1 1 88 88 LYS HA H 1 5.364 0.05 . 1 . . . . 88 K HA . 6515 1 840 . 1 1 88 88 LYS HB3 H 1 1.704 0.05 . 2 . . . . 88 K HB3 . 6515 1 841 . 1 1 88 88 LYS HG2 H 1 1.361 0.05 . 2 . . . . 88 K HG2 . 6515 1 842 . 1 1 88 88 LYS HD2 H 1 1.529 0.05 . 2 . . . . 88 K HD2 . 6515 1 843 . 1 1 88 88 LYS HE2 H 1 2.782 0.05 . 2 . . . . 88 K HE2 . 6515 1 844 . 1 1 88 88 LYS C C 13 174.576 0.15 . 1 . . . . 88 K C . 6515 1 845 . 1 1 88 88 LYS CA C 13 54.873 0.15 . 1 . . . . 88 K CA . 6515 1 846 . 1 1 88 88 LYS CB C 13 37.042 0.15 . 1 . . . . 88 K CB . 6515 1 847 . 1 1 88 88 LYS CG C 13 24.877 0.15 . 1 . . . . 88 K CG . 6515 1 848 . 1 1 88 88 LYS CD C 13 29.413 0.15 . 1 . . . . 88 K CD . 6515 1 849 . 1 1 88 88 LYS CE C 13 41.863 0.15 . 1 . . . . 88 K CE . 6515 1 850 . 1 1 88 88 LYS N N 15 127.429 0.10 . 1 . . . . 88 K N . 6515 1 851 . 1 1 89 89 SER H H 1 8.797 0.05 . 1 . . . . 89 S H . 6515 1 852 . 1 1 89 89 SER HA H 1 4.784 0.05 . 1 . . . . 89 S HA . 6515 1 853 . 1 1 89 89 SER HB2 H 1 3.854 0.05 . 2 . . . . 89 S HB2 . 6515 1 854 . 1 1 89 89 SER HB3 H 1 3.499 0.05 . 2 . . . . 89 S HB3 . 6515 1 855 . 1 1 89 89 SER C C 13 174.170 0.15 . 1 . . . . 89 S C . 6515 1 856 . 1 1 89 89 SER CA C 13 57.694 0.15 . 1 . . . . 89 S CA . 6515 1 857 . 1 1 89 89 SER CB C 13 65.011 0.15 . 1 . . . . 89 S CB . 6515 1 858 . 1 1 89 89 SER N N 15 113.607 0.10 . 1 . . . . 89 S N . 6515 1 859 . 1 1 90 90 ALA H H 1 9.529 0.05 . 1 . . . . 90 A H . 6515 1 860 . 1 1 90 90 ALA HA H 1 4.050 0.05 . 1 . . . . 90 A HA . 6515 1 861 . 1 1 90 90 ALA HB1 H 1 1.576 0.05 . 1 . . . . 90 A HB . 6515 1 862 . 1 1 90 90 ALA HB2 H 1 1.576 0.05 . 1 . . . . 90 A HB . 6515 1 863 . 1 1 90 90 ALA HB3 H 1 1.576 0.05 . 1 . . . . 90 A HB . 6515 1 864 . 1 1 90 90 ALA C C 13 177.165 0.15 . 1 . . . . 90 A C . 6515 1 865 . 1 1 90 90 ALA CA C 13 54.233 0.15 . 1 . . . . 90 A CA . 6515 1 866 . 1 1 90 90 ALA CB C 13 17.308 0.15 . 1 . . . . 90 A CB . 6515 1 867 . 1 1 90 90 ALA N N 15 131.882 0.10 . 1 . . . . 90 A N . 6515 1 868 . 1 1 91 91 THR H H 1 8.279 0.05 . 1 . . . . 91 T H . 6515 1 869 . 1 1 91 91 THR HA H 1 4.152 0.05 . 1 . . . . 91 T HA . 6515 1 870 . 1 1 91 91 THR HB H 1 4.500 0.05 . 1 . . . . 91 T HB . 6515 1 871 . 1 1 91 91 THR HG21 H 1 1.179 0.05 . 1 . . . . 91 T HG2 . 6515 1 872 . 1 1 91 91 THR HG22 H 1 1.179 0.05 . 1 . . . . 91 T HG2 . 6515 1 873 . 1 1 91 91 THR HG23 H 1 1.179 0.05 . 1 . . . . 91 T HG2 . 6515 1 874 . 1 1 91 91 THR C C 13 172.744 0.15 . 1 . . . . 91 T C . 6515 1 875 . 1 1 91 91 THR CA C 13 63.174 0.15 . 1 . . . . 91 T CA . 6515 1 876 . 1 1 91 91 THR CB C 13 69.778 0.15 . 1 . . . . 91 T CB . 6515 1 877 . 1 1 91 91 THR CG2 C 13 21.887 0.15 . 1 . . . . 91 T CG2 . 6515 1 878 . 1 1 91 91 THR N N 15 109.311 0.10 . 1 . . . . 91 T N . 6515 1 879 . 1 1 92 92 ARG H H 1 8.202 0.05 . 1 . . . . 92 R H . 6515 1 880 . 1 1 92 92 ARG HA H 1 4.601 0.05 . 1 . . . . 92 R HA . 6515 1 881 . 1 1 92 92 ARG HB3 H 1 1.845 0.05 . 2 . . . . 92 R HB3 . 6515 1 882 . 1 1 92 92 ARG HG2 H 1 1.665 0.05 . 2 . . . . 92 R HG2 . 6515 1 883 . 1 1 92 92 ARG HD2 H 1 2.969 0.05 . 2 . . . . 92 R HD2 . 6515 1 884 . 1 1 92 92 ARG C C 13 174.687 0.15 . 1 . . . . 92 R C . 6515 1 885 . 1 1 92 92 ARG CA C 13 55.103 0.15 . 1 . . . . 92 R CA . 6515 1 886 . 1 1 92 92 ARG CB C 13 32.466 0.15 . 1 . . . . 92 R CB . 6515 1 887 . 1 1 92 92 ARG CG C 13 26.294 0.15 . 1 . . . . 92 R CG . 6515 1 888 . 1 1 92 92 ARG CD C 13 43.989 0.15 . 1 . . . . 92 R CD . 6515 1 889 . 1 1 92 92 ARG N N 15 123.477 0.10 . 1 . . . . 92 R N . 6515 1 890 . 1 1 93 93 THR H H 1 9.162 0.05 . 1 . . . . 93 T H . 6515 1 891 . 1 1 93 93 THR HA H 1 4.261 0.05 . 1 . . . . 93 T HA . 6515 1 892 . 1 1 93 93 THR HB H 1 4.011 0.05 . 1 . . . . 93 T HB . 6515 1 893 . 1 1 93 93 THR HG21 H 1 1.049 0.05 . 1 . . . . 93 T HG2 . 6515 1 894 . 1 1 93 93 THR HG22 H 1 1.049 0.05 . 1 . . . . 93 T HG2 . 6515 1 895 . 1 1 93 93 THR HG23 H 1 1.049 0.05 . 1 . . . . 93 T HG2 . 6515 1 896 . 1 1 93 93 THR C C 13 172.918 0.15 . 1 . . . . 93 T C . 6515 1 897 . 1 1 93 93 THR CA C 13 64.324 0.15 . 1 . . . . 93 T CA . 6515 1 898 . 1 1 93 93 THR CB C 13 67.918 0.15 . 1 . . . . 93 T CB . 6515 1 899 . 1 1 93 93 THR CG2 C 13 22.962 0.15 . 1 . . . . 93 T CG2 . 6515 1 900 . 1 1 93 93 THR N N 15 122.844 0.10 . 1 . . . . 93 T N . 6515 1 901 . 1 1 94 94 ILE H H 1 8.974 0.05 . 1 . . . . 94 I H . 6515 1 902 . 1 1 94 94 ILE HA H 1 4.677 0.05 . 1 . . . . 94 I HA . 6515 1 903 . 1 1 94 94 ILE HB H 1 1.967 0.05 . 1 . . . . 94 I HB . 6515 1 904 . 1 1 94 94 ILE HG21 H 1 0.795 0.05 . 2 . . . . 94 I HG2 . 6515 1 905 . 1 1 94 94 ILE HG22 H 1 0.795 0.05 . 2 . . . . 94 I HG2 . 6515 1 906 . 1 1 94 94 ILE HG23 H 1 0.795 0.05 . 2 . . . . 94 I HG2 . 6515 1 907 . 1 1 94 94 ILE HD11 H 1 0.616 0.05 . 2 . . . . 94 I HD1 . 6515 1 908 . 1 1 94 94 ILE HD12 H 1 0.616 0.05 . 2 . . . . 94 I HD1 . 6515 1 909 . 1 1 94 94 ILE HD13 H 1 0.616 0.05 . 2 . . . . 94 I HD1 . 6515 1 910 . 1 1 94 94 ILE C C 13 173.242 0.15 . 1 . . . . 94 I C . 6515 1 911 . 1 1 94 94 ILE CA C 13 61.097 0.15 . 1 . . . . 94 I CA . 6515 1 912 . 1 1 94 94 ILE CB C 13 39.671 0.15 . 1 . . . . 94 I CB . 6515 1 913 . 1 1 94 94 ILE CG2 C 13 18.070 0.15 . 1 . . . . 94 I CG2 . 6515 1 914 . 1 1 94 94 ILE CD1 C 13 13.549 0.15 . 1 . . . . 94 I CD1 . 6515 1 915 . 1 1 94 94 ILE N N 15 120.050 0.10 . 1 . . . . 94 I N . 6515 1 916 . 1 1 95 95 ALA H H 1 8.057 0.05 . 1 . . . . 95 A H . 6515 1 917 . 1 1 95 95 ALA HA H 1 4.717 0.05 . 1 . . . . 95 A HA . 6515 1 918 . 1 1 95 95 ALA HB1 H 1 1.628 0.05 . 1 . . . . 95 A HB . 6515 1 919 . 1 1 95 95 ALA HB2 H 1 1.628 0.05 . 1 . . . . 95 A HB . 6515 1 920 . 1 1 95 95 ALA HB3 H 1 1.628 0.05 . 1 . . . . 95 A HB . 6515 1 921 . 1 1 95 95 ALA C C 13 173.976 0.15 . 1 . . . . 95 A C . 6515 1 922 . 1 1 95 95 ALA CA C 13 52.856 0.15 . 1 . . . . 95 A CA . 6515 1 923 . 1 1 95 95 ALA CB C 13 23.423 0.15 . 1 . . . . 95 A CB . 6515 1 924 . 1 1 95 95 ALA N N 15 120.606 0.10 . 1 . . . . 95 A N . 6515 1 925 . 1 1 96 96 SER H H 1 8.479 0.05 . 1 . . . . 96 S H . 6515 1 926 . 1 1 96 96 SER HA H 1 4.673 0.05 . 1 . . . . 96 S HA . 6515 1 927 . 1 1 96 96 SER HB3 H 1 3.801 0.05 . 2 . . . . 96 S HB3 . 6515 1 928 . 1 1 96 96 SER C C 13 171.183 0.15 . 1 . . . . 96 S C . 6515 1 929 . 1 1 96 96 SER CA C 13 57.383 0.15 . 1 . . . . 96 S CA . 6515 1 930 . 1 1 96 96 SER CB C 13 64.907 0.15 . 1 . . . . 96 S CB . 6515 1 931 . 1 1 96 96 SER N N 15 114.641 0.10 . 1 . . . . 96 S N . 6515 1 932 . 1 1 97 97 GLY H H 1 6.967 0.05 . 1 . . . . 97 G H . 6515 1 933 . 1 1 97 97 GLY HA2 H 1 3.877 0.05 . 2 . . . . 97 G HA2 . 6515 1 934 . 1 1 97 97 GLY C C 13 168.847 0.15 . 1 . . . . 97 G C . 6515 1 935 . 1 1 97 97 GLY CA C 13 45.819 0.15 . 1 . . . . 97 G CA . 6515 1 936 . 1 1 97 97 GLY N N 15 106.635 0.10 . 1 . . . . 97 G N . 6515 1 937 . 1 1 98 98 THR H H 1 8.101 0.05 . 1 . . . . 98 T H . 6515 1 938 . 1 1 98 98 THR HA H 1 5.208 0.05 . 1 . . . . 98 T HA . 6515 1 939 . 1 1 98 98 THR HB H 1 3.790 0.05 . 1 . . . . 98 T HB . 6515 1 940 . 1 1 98 98 THR HG21 H 1 0.982 0.05 . 1 . . . . 98 T HG2 . 6515 1 941 . 1 1 98 98 THR HG22 H 1 0.982 0.05 . 1 . . . . 98 T HG2 . 6515 1 942 . 1 1 98 98 THR HG23 H 1 0.982 0.05 . 1 . . . . 98 T HG2 . 6515 1 943 . 1 1 98 98 THR C C 13 172.609 0.15 . 1 . . . . 98 T C . 6515 1 944 . 1 1 98 98 THR CA C 13 60.491 0.15 . 1 . . . . 98 T CA . 6515 1 945 . 1 1 98 98 THR CB C 13 72.090 0.15 . 1 . . . . 98 T CB . 6515 1 946 . 1 1 98 98 THR CG2 C 13 21.969 0.15 . 1 . . . . 98 T CG2 . 6515 1 947 . 1 1 98 98 THR N N 15 110.571 0.10 . 1 . . . . 98 T N . 6515 1 948 . 1 1 99 99 ILE H H 1 9.507 0.05 . 1 . . . . 99 I H . 6515 1 949 . 1 1 99 99 ILE HA H 1 4.681 0.05 . 1 . . . . 99 I HA . 6515 1 950 . 1 1 99 99 ILE HB H 1 1.616 0.05 . 1 . . . . 99 I HB . 6515 1 951 . 1 1 99 99 ILE HG21 H 1 0.990 0.05 . 1 . . . . 99 I HG2 . 6515 1 952 . 1 1 99 99 ILE HG22 H 1 0.990 0.05 . 1 . . . . 99 I HG2 . 6515 1 953 . 1 1 99 99 ILE HG23 H 1 0.990 0.05 . 1 . . . . 99 I HG2 . 6515 1 954 . 1 1 99 99 ILE HD11 H 1 1.020 0.05 . 2 . . . . 99 I HD1 . 6515 1 955 . 1 1 99 99 ILE HD12 H 1 1.020 0.05 . 2 . . . . 99 I HD1 . 6515 1 956 . 1 1 99 99 ILE HD13 H 1 1.020 0.05 . 2 . . . . 99 I HD1 . 6515 1 957 . 1 1 99 99 ILE CA C 13 58.145 0.15 . 1 . . . . 99 I CA . 6515 1 958 . 1 1 99 99 ILE CB C 13 40.944 0.15 . 1 . . . . 99 I CB . 6515 1 959 . 1 1 99 99 ILE CG2 C 13 17.725 0.15 . 1 . . . . 99 I CG2 . 6515 1 960 . 1 1 99 99 ILE CD1 C 13 14.710 0.15 . 1 . . . . 99 I CD1 . 6515 1 961 . 1 1 99 99 ILE N N 15 126.371 0.10 . 1 . . . . 99 I N . 6515 1 962 . 1 1 100 100 PRO HA H 1 4.678 0.05 . 1 . . . . 100 P HA . 6515 1 963 . 1 1 100 100 PRO HB2 H 1 2.016 0.05 . 2 . . . . 100 P HB2 . 6515 1 964 . 1 1 100 100 PRO HB3 H 1 2.250 0.05 . 2 . . . . 100 P HB3 . 6515 1 965 . 1 1 100 100 PRO HG2 H 1 1.771 0.05 . 2 . . . . 100 P HG2 . 6515 1 966 . 1 1 100 100 PRO C C 13 174.469 0.15 . 1 . . . . 100 P C . 6515 1 967 . 1 1 100 100 PRO CA C 13 62.253 0.15 . 1 . . . . 100 P CA . 6515 1 968 . 1 1 100 100 PRO CB C 13 32.622 0.15 . 1 . . . . 100 P CB . 6515 1 969 . 1 1 100 100 PRO CG C 13 26.558 0.15 . 1 . . . . 100 P CG . 6515 1 970 . 1 1 101 101 ASP H H 1 8.077 0.05 . 1 . . . . 101 D H . 6515 1 971 . 1 1 101 101 ASP HB2 H 1 2.802 0.05 . 2 . . . . 101 D HB2 . 6515 1 972 . 1 1 101 101 ASP CA C 13 54.456 0.15 . 1 . . . . 101 D CA . 6515 1 973 . 1 1 101 101 ASP CB C 13 41.793 0.15 . 1 . . . . 101 D CB . 6515 1 974 . 1 1 101 101 ASP N N 15 116.747 0.10 . 1 . . . . 101 D N . 6515 1 975 . 1 1 102 102 PRO HA H 1 4.463 0.05 . 1 . . . . 102 P HA . 6515 1 976 . 1 1 102 102 PRO HB2 H 1 1.918 0.05 . 2 . . . . 102 P HB2 . 6515 1 977 . 1 1 102 102 PRO HB3 H 1 2.014 0.05 . 2 . . . . 102 P HB3 . 6515 1 978 . 1 1 102 102 PRO HG2 H 1 1.658 0.05 . 2 . . . . 102 P HG2 . 6515 1 979 . 1 1 102 102 PRO C C 13 175.506 0.15 . 1 . . . . 102 P C . 6515 1 980 . 1 1 102 102 PRO CA C 13 64.339 0.15 . 1 . . . . 102 P CA . 6515 1 981 . 1 1 102 102 PRO CB C 13 31.772 0.15 . 1 . . . . 102 P CB . 6515 1 982 . 1 1 102 102 PRO CG C 13 27.468 0.15 . 1 . . . . 102 P CG . 6515 1 983 . 1 1 103 103 GLY H H 1 7.577 0.05 . 1 . . . . 103 G H . 6515 1 984 . 1 1 103 103 GLY HA2 H 1 4.467 0.05 . 2 . . . . 103 G HA1 . 6515 1 985 . 1 1 103 103 GLY HA3 H 1 3.849 0.05 . 2 . . . . 103 G HA2 . 6515 1 986 . 1 1 103 103 GLY C C 13 170.388 0.15 . 1 . . . . 103 G C . 6515 1 987 . 1 1 103 103 GLY CA C 13 44.916 0.15 . 1 . . . . 103 G CA . 6515 1 988 . 1 1 103 103 GLY N N 15 106.109 0.10 . 1 . . . . 103 G N . 6515 1 989 . 1 1 104 104 SER H H 1 8.279 0.05 . 1 . . . . 104 S H . 6515 1 990 . 1 1 104 104 SER HA H 1 5.211 0.05 . 1 . . . . 104 S HA . 6515 1 991 . 1 1 104 104 SER HB2 H 1 3.624 0.05 . 2 . . . . 104 S HB2 . 6515 1 992 . 1 1 104 104 SER HB3 H 1 3.491 0.05 . 2 . . . . 104 S HB3 . 6515 1 993 . 1 1 104 104 SER C C 13 172.413 0.15 . 1 . . . . 104 S C . 6515 1 994 . 1 1 104 104 SER CA C 13 57.172 0.15 . 1 . . . . 104 S CA . 6515 1 995 . 1 1 104 104 SER CB C 13 66.410 0.15 . 1 . . . . 104 S CB . 6515 1 996 . 1 1 104 104 SER N N 15 114.419 0.10 . 1 . . . . 104 S N . 6515 1 997 . 1 1 105 105 LEU H H 1 9.408 0.05 . 1 . . . . 105 L H . 6515 1 998 . 1 1 105 105 LEU HA H 1 4.767 0.05 . 1 . . . . 105 L HA . 6515 1 999 . 1 1 105 105 LEU HB2 H 1 1.818 0.05 . 2 . . . . 105 L HB2 . 6515 1 1000 . 1 1 105 105 LEU HD11 H 1 0.416 0.05 . 2 . . . . 105 L HD1 . 6515 1 1001 . 1 1 105 105 LEU HD12 H 1 0.416 0.05 . 2 . . . . 105 L HD1 . 6515 1 1002 . 1 1 105 105 LEU HD13 H 1 0.416 0.05 . 2 . . . . 105 L HD1 . 6515 1 1003 . 1 1 105 105 LEU C C 13 176.753 0.15 . 1 . . . . 105 L C . 6515 1 1004 . 1 1 105 105 LEU CA C 13 52.846 0.15 . 1 . . . . 105 L CA . 6515 1 1005 . 1 1 105 105 LEU CB C 13 42.123 0.15 . 1 . . . . 105 L CB . 6515 1 1006 . 1 1 105 105 LEU CD1 C 13 25.797 0.15 . 1 . . . . 105 L CD1 . 6515 1 1007 . 1 1 105 105 LEU N N 15 120.985 0.10 . 1 . . . . 105 L N . 6515 1 1008 . 1 1 106 106 VAL H H 1 7.628 0.05 . 1 . . . . 106 V H . 6515 1 1009 . 1 1 106 106 VAL HA H 1 4.032 0.05 . 1 . . . . 106 V HA . 6515 1 1010 . 1 1 106 106 VAL HB H 1 2.054 0.05 . 1 . . . . 106 V HB . 6515 1 1011 . 1 1 106 106 VAL HG21 H 1 0.937 0.05 . 1 . . . . 106 V HG2 . 6515 1 1012 . 1 1 106 106 VAL HG22 H 1 0.937 0.05 . 1 . . . . 106 V HG2 . 6515 1 1013 . 1 1 106 106 VAL HG23 H 1 0.937 0.05 . 1 . . . . 106 V HG2 . 6515 1 1014 . 1 1 106 106 VAL C C 13 177.052 0.15 . 1 . . . . 106 V C . 6515 1 1015 . 1 1 106 106 VAL CA C 13 61.910 0.15 . 1 . . . . 106 V CA . 6515 1 1016 . 1 1 106 106 VAL CB C 13 32.084 0.15 . 1 . . . . 106 V CB . 6515 1 1017 . 1 1 106 106 VAL CG2 C 13 20.643 0.15 . 1 . . . . 106 V CG2 . 6515 1 1018 . 1 1 106 106 VAL N N 15 120.611 0.10 . 1 . . . . 106 V N . 6515 1 1019 . 1 1 107 107 GLY H H 1 8.858 0.05 . 1 . . . . 107 G H . 6515 1 1020 . 1 1 107 107 GLY HA2 H 1 3.395 0.05 . 2 . . . . 107 G HA1 . 6515 1 1021 . 1 1 107 107 GLY HA3 H 1 3.716 0.05 . 2 . . . . 107 G HA2 . 6515 1 1022 . 1 1 107 107 GLY C C 13 173.205 0.15 . 1 . . . . 107 G C . 6515 1 1023 . 1 1 107 107 GLY CA C 13 46.098 0.15 . 1 . . . . 107 G CA . 6515 1 1024 . 1 1 107 107 GLY N N 15 114.867 0.10 . 1 . . . . 107 G N . 6515 1 1025 . 1 1 108 108 SER H H 1 8.888 0.05 . 1 . . . . 108 S H . 6515 1 1026 . 1 1 108 108 SER HA H 1 3.955 0.05 . 1 . . . . 108 S HA . 6515 1 1027 . 1 1 108 108 SER HB2 H 1 3.772 0.05 . 2 . . . . 108 S HB2 . 6515 1 1028 . 1 1 108 108 SER C C 13 172.996 0.15 . 1 . . . . 108 S C . 6515 1 1029 . 1 1 108 108 SER CA C 13 58.867 0.15 . 1 . . . . 108 S CA . 6515 1 1030 . 1 1 108 108 SER CB C 13 61.900 0.15 . 1 . . . . 108 S CB . 6515 1 1031 . 1 1 108 108 SER N N 15 116.517 0.10 . 1 . . . . 108 S N . 6515 1 1032 . 1 1 109 109 GLY H H 1 7.117 0.05 . 1 . . . . 109 G H . 6515 1 1033 . 1 1 109 109 GLY HA2 H 1 3.842 0.05 . 2 . . . . 109 G HA1 . 6515 1 1034 . 1 1 109 109 GLY HA3 H 1 4.482 0.05 . 2 . . . . 109 G HA2 . 6515 1 1035 . 1 1 109 109 GLY C C 13 172.449 0.15 . 1 . . . . 109 G C . 6515 1 1036 . 1 1 109 109 GLY CA C 13 45.233 0.15 . 1 . . . . 109 G CA . 6515 1 1037 . 1 1 109 109 GLY N N 15 104.464 0.10 . 1 . . . . 109 G N . 6515 1 1038 . 1 1 110 110 THR H H 1 8.967 0.05 . 1 . . . . 110 T H . 6515 1 1039 . 1 1 110 110 THR HA H 1 3.914 0.05 . 1 . . . . 110 T HA . 6515 1 1040 . 1 1 110 110 THR HB H 1 3.913 0.05 . 1 . . . . 110 T HB . 6515 1 1041 . 1 1 110 110 THR HG21 H 1 1.011 0.05 . 1 . . . . 110 T HG2 . 6515 1 1042 . 1 1 110 110 THR HG22 H 1 1.011 0.05 . 1 . . . . 110 T HG2 . 6515 1 1043 . 1 1 110 110 THR HG23 H 1 1.011 0.05 . 1 . . . . 110 T HG2 . 6515 1 1044 . 1 1 110 110 THR C C 13 172.724 0.15 . 1 . . . . 110 T C . 6515 1 1045 . 1 1 110 110 THR CA C 13 62.117 0.15 . 1 . . . . 110 T CA . 6515 1 1046 . 1 1 110 110 THR CB C 13 70.292 0.15 . 1 . . . . 110 T CB . 6515 1 1047 . 1 1 110 110 THR CG2 C 13 21.919 0.15 . 1 . . . . 110 T CG2 . 6515 1 1048 . 1 1 110 110 THR N N 15 121.785 0.10 . 1 . . . . 110 T N . 6515 1 1049 . 1 1 111 111 THR H H 1 9.264 0.05 . 1 . . . . 111 T H . 6515 1 1050 . 1 1 111 111 THR HA H 1 4.480 0.05 . 1 . . . . 111 T HA . 6515 1 1051 . 1 1 111 111 THR HB H 1 3.895 0.05 . 1 . . . . 111 T HB . 6515 1 1052 . 1 1 111 111 THR HG21 H 1 1.300 0.05 . 1 . . . . 111 T HG2 . 6515 1 1053 . 1 1 111 111 THR HG22 H 1 1.300 0.05 . 1 . . . . 111 T HG2 . 6515 1 1054 . 1 1 111 111 THR HG23 H 1 1.300 0.05 . 1 . . . . 111 T HG2 . 6515 1 1055 . 1 1 111 111 THR C C 13 171.324 0.15 . 1 . . . . 111 T C . 6515 1 1056 . 1 1 111 111 THR CA C 13 62.568 0.15 . 1 . . . . 111 T CA . 6515 1 1057 . 1 1 111 111 THR CB C 13 71.452 0.15 . 1 . . . . 111 T CB . 6515 1 1058 . 1 1 111 111 THR CG2 C 13 21.090 0.15 . 1 . . . . 111 T CG2 . 6515 1 1059 . 1 1 111 111 THR N N 15 126.164 0.10 . 1 . . . . 111 T N . 6515 1 1060 . 1 1 112 112 VAL H H 1 8.891 0.05 . 1 . . . . 112 V H . 6515 1 1061 . 1 1 112 112 VAL HA H 1 4.760 0.05 . 1 . . . . 112 V HA . 6515 1 1062 . 1 1 112 112 VAL HB H 1 1.921 0.05 . 1 . . . . 112 V HB . 6515 1 1063 . 1 1 112 112 VAL HG11 H 1 0.919 0.05 . 2 . . . . 112 V HG1 . 6515 1 1064 . 1 1 112 112 VAL HG12 H 1 0.919 0.05 . 2 . . . . 112 V HG1 . 6515 1 1065 . 1 1 112 112 VAL HG13 H 1 0.919 0.05 . 2 . . . . 112 V HG1 . 6515 1 1066 . 1 1 112 112 VAL HG21 H 1 0.804 0.05 . 2 . . . . 112 V HG2 . 6515 1 1067 . 1 1 112 112 VAL HG22 H 1 0.804 0.05 . 2 . . . . 112 V HG2 . 6515 1 1068 . 1 1 112 112 VAL HG23 H 1 0.804 0.05 . 2 . . . . 112 V HG2 . 6515 1 1069 . 1 1 112 112 VAL C C 13 174.426 0.15 . 1 . . . . 112 V C . 6515 1 1070 . 1 1 112 112 VAL CA C 13 61.792 0.15 . 1 . . . . 112 V CA . 6515 1 1071 . 1 1 112 112 VAL CB C 13 32.211 0.15 . 1 . . . . 112 V CB . 6515 1 1072 . 1 1 112 112 VAL CG1 C 13 20.960 0.15 . 1 . . . . 112 V CG1 . 6515 1 1073 . 1 1 112 112 VAL CG2 C 13 21.555 0.15 . 1 . . . . 112 V CG2 . 6515 1 1074 . 1 1 112 112 VAL N N 15 128.039 0.10 . 1 . . . . 112 V N . 6515 1 1075 . 1 1 113 113 LEU H H 1 9.635 0.05 . 1 . . . . 113 L H . 6515 1 1076 . 1 1 113 113 LEU HA H 1 4.637 0.05 . 1 . . . . 113 L HA . 6515 1 1077 . 1 1 113 113 LEU HB2 H 1 1.639 0.05 . 2 . . . . 113 L HB2 . 6515 1 1078 . 1 1 113 113 LEU HB3 H 1 1.286 0.05 . 2 . . . . 113 L HB3 . 6515 1 1079 . 1 1 113 113 LEU HG H 1 0.736 0.05 . 1 . . . . 113 L HG . 6515 1 1080 . 1 1 113 113 LEU HD11 H 1 0.749 0.05 . 2 . . . . 113 L HD1 . 6515 1 1081 . 1 1 113 113 LEU HD12 H 1 0.749 0.05 . 2 . . . . 113 L HD1 . 6515 1 1082 . 1 1 113 113 LEU HD13 H 1 0.749 0.05 . 2 . . . . 113 L HD1 . 6515 1 1083 . 1 1 113 113 LEU C C 13 173.662 0.15 . 1 . . . . 113 L C . 6515 1 1084 . 1 1 113 113 LEU CA C 13 53.239 0.15 . 1 . . . . 113 L CA . 6515 1 1085 . 1 1 113 113 LEU CB C 13 43.943 0.15 . 1 . . . . 113 L CB . 6515 1 1086 . 1 1 113 113 LEU CG C 13 26.388 0.15 . 1 . . . . 113 L CG . 6515 1 1087 . 1 1 113 113 LEU CD1 C 13 23.483 0.15 . 1 . . . . 113 L CD1 . 6515 1 1088 . 1 1 113 113 LEU N N 15 129.738 0.10 . 1 . . . . 113 L N . 6515 1 1089 . 1 1 114 114 ASP H H 1 8.539 0.05 . 1 . . . . 114 D H . 6515 1 1090 . 1 1 114 114 ASP HA H 1 5.112 0.05 . 1 . . . . 114 D HA . 6515 1 1091 . 1 1 114 114 ASP HB2 H 1 2.454 0.05 . 2 . . . . 114 D HB2 . 6515 1 1092 . 1 1 114 114 ASP HB3 H 1 2.544 0.05 . 2 . . . . 114 D HB3 . 6515 1 1093 . 1 1 114 114 ASP C C 13 174.076 0.15 . 1 . . . . 114 D C . 6515 1 1094 . 1 1 114 114 ASP CA C 13 53.290 0.15 . 1 . . . . 114 D CA . 6515 1 1095 . 1 1 114 114 ASP CB C 13 42.833 0.15 . 1 . . . . 114 D CB . 6515 1 1096 . 1 1 114 114 ASP N N 15 122.916 0.10 . 1 . . . . 114 D N . 6515 1 1097 . 1 1 115 115 VAL H H 1 9.077 0.05 . 1 . . . . 115 V H . 6515 1 1098 . 1 1 115 115 VAL HA H 1 4.268 0.05 . 1 . . . . 115 V HA . 6515 1 1099 . 1 1 115 115 VAL HB H 1 2.028 0.05 . 1 . . . . 115 V HB . 6515 1 1100 . 1 1 115 115 VAL HG11 H 1 0.757 0.05 . 2 . . . . 115 V HG1 . 6515 1 1101 . 1 1 115 115 VAL HG12 H 1 0.757 0.05 . 2 . . . . 115 V HG1 . 6515 1 1102 . 1 1 115 115 VAL HG13 H 1 0.757 0.05 . 2 . . . . 115 V HG1 . 6515 1 1103 . 1 1 115 115 VAL HG21 H 1 0.465 0.05 . 2 . . . . 115 V HG2 . 6515 1 1104 . 1 1 115 115 VAL HG22 H 1 0.465 0.05 . 2 . . . . 115 V HG2 . 6515 1 1105 . 1 1 115 115 VAL HG23 H 1 0.465 0.05 . 2 . . . . 115 V HG2 . 6515 1 1106 . 1 1 115 115 VAL CA C 13 59.572 0.15 . 1 . . . . 115 V CA . 6515 1 1107 . 1 1 115 115 VAL CB C 13 33.512 0.15 . 1 . . . . 115 V CB . 6515 1 1108 . 1 1 115 115 VAL CG1 C 13 21.043 0.15 . 1 . . . . 115 V CG1 . 6515 1 1109 . 1 1 115 115 VAL CG2 C 13 20.310 0.15 . 1 . . . . 115 V CG2 . 6515 1 1110 . 1 1 115 115 VAL N N 15 125.988 0.10 . 1 . . . . 115 V N . 6515 1 1111 . 1 1 116 116 PRO HA H 1 4.337 0.05 . 1 . . . . 116 P HA . 6515 1 1112 . 1 1 116 116 PRO HB2 H 1 1.832 0.05 . 2 . . . . 116 P HB2 . 6515 1 1113 . 1 1 116 116 PRO C C 13 174.178 0.15 . 1 . . . . 116 P C . 6515 1 1114 . 1 1 116 116 PRO CA C 13 62.174 0.15 . 1 . . . . 116 P CA . 6515 1 1115 . 1 1 116 116 PRO CB C 13 31.871 0.15 . 1 . . . . 116 P CB . 6515 1 1116 . 1 1 116 116 PRO CG C 13 27.094 0.15 . 1 . . . . 116 P CG . 6515 1 1117 . 1 1 117 117 VAL H H 1 8.403 0.05 . 1 . . . . 117 V H . 6515 1 1118 . 1 1 117 117 VAL HA H 1 3.588 0.05 . 1 . . . . 117 V HA . 6515 1 1119 . 1 1 117 117 VAL HB H 1 1.477 0.05 . 1 . . . . 117 V HB . 6515 1 1120 . 1 1 117 117 VAL HG11 H 1 -0.003 0.05 . 2 . . . . 117 V HG1 . 6515 1 1121 . 1 1 117 117 VAL HG12 H 1 -0.003 0.05 . 2 . . . . 117 V HG1 . 6515 1 1122 . 1 1 117 117 VAL HG13 H 1 -0.003 0.05 . 2 . . . . 117 V HG1 . 6515 1 1123 . 1 1 117 117 VAL HG21 H 1 0.427 0.05 . 2 . . . . 117 V HG2 . 6515 1 1124 . 1 1 117 117 VAL HG22 H 1 0.427 0.05 . 2 . . . . 117 V HG2 . 6515 1 1125 . 1 1 117 117 VAL HG23 H 1 0.427 0.05 . 2 . . . . 117 V HG2 . 6515 1 1126 . 1 1 117 117 VAL C C 13 172.486 0.15 . 1 . . . . 117 V C . 6515 1 1127 . 1 1 117 117 VAL CA C 13 61.276 0.15 . 1 . . . . 117 V CA . 6515 1 1128 . 1 1 117 117 VAL CB C 13 34.480 0.15 . 1 . . . . 117 V CB . 6515 1 1129 . 1 1 117 117 VAL CG1 C 13 18.904 0.15 . 1 . . . . 117 V CG1 . 6515 1 1130 . 1 1 117 117 VAL CG2 C 13 21.604 0.15 . 1 . . . . 117 V CG2 . 6515 1 1131 . 1 1 117 117 VAL N N 15 124.247 0.10 . 1 . . . . 117 V N . 6515 1 1132 . 1 1 118 118 LYS H H 1 7.555 0.05 . 1 . . . . 118 K H . 6515 1 1133 . 1 1 118 118 LYS HA H 1 5.184 0.05 . 1 . . . . 118 K HA . 6515 1 1134 . 1 1 118 118 LYS HB3 H 1 1.696 0.05 . 2 . . . . 118 K HB3 . 6515 1 1135 . 1 1 118 118 LYS HG2 H 1 1.164 0.05 . 2 . . . . 118 K HG2 . 6515 1 1136 . 1 1 118 118 LYS HG3 H 1 1.259 0.05 . 2 . . . . 118 K HG3 . 6515 1 1137 . 1 1 118 118 LYS HD2 H 1 1.496 0.05 . 2 . . . . 118 K HD2 . 6515 1 1138 . 1 1 118 118 LYS HE2 H 1 2.862 0.05 . 2 . . . . 118 K HE2 . 6515 1 1139 . 1 1 118 118 LYS C C 13 174.840 0.15 . 1 . . . . 118 K C . 6515 1 1140 . 1 1 118 118 LYS CA C 13 54.876 0.15 . 1 . . . . 118 K CA . 6515 1 1141 . 1 1 118 118 LYS CB C 13 34.156 0.15 . 1 . . . . 118 K CB . 6515 1 1142 . 1 1 118 118 LYS CG C 13 23.919 0.15 . 1 . . . . 118 K CG . 6515 1 1143 . 1 1 118 118 LYS CD C 13 28.601 0.15 . 1 . . . . 118 K CD . 6515 1 1144 . 1 1 118 118 LYS CE C 13 41.875 0.15 . 1 . . . . 118 K CE . 6515 1 1145 . 1 1 118 118 LYS N N 15 127.073 0.10 . 1 . . . . 118 K N . 6515 1 1146 . 1 1 119 119 VAL H H 1 9.330 0.05 . 1 . . . . 119 V H . 6515 1 1147 . 1 1 119 119 VAL HA H 1 4.456 0.05 . 1 . . . . 119 V HA . 6515 1 1148 . 1 1 119 119 VAL HB H 1 2.098 0.05 . 1 . . . . 119 V HB . 6515 1 1149 . 1 1 119 119 VAL HG11 H 1 0.998 0.05 . 2 . . . . 119 V HG1 . 6515 1 1150 . 1 1 119 119 VAL HG12 H 1 0.998 0.05 . 2 . . . . 119 V HG1 . 6515 1 1151 . 1 1 119 119 VAL HG13 H 1 0.998 0.05 . 2 . . . . 119 V HG1 . 6515 1 1152 . 1 1 119 119 VAL HG21 H 1 0.815 0.05 . 2 . . . . 119 V HG2 . 6515 1 1153 . 1 1 119 119 VAL HG22 H 1 0.815 0.05 . 2 . . . . 119 V HG2 . 6515 1 1154 . 1 1 119 119 VAL HG23 H 1 0.815 0.05 . 2 . . . . 119 V HG2 . 6515 1 1155 . 1 1 119 119 VAL C C 13 174.195 0.15 . 1 . . . . 119 V C . 6515 1 1156 . 1 1 119 119 VAL CA C 13 60.879 0.15 . 1 . . . . 119 V CA . 6515 1 1157 . 1 1 119 119 VAL CB C 13 33.169 0.15 . 1 . . . . 119 V CB . 6515 1 1158 . 1 1 119 119 VAL CG2 C 13 21.179 0.15 . 1 . . . . 119 V CG2 . 6515 1 1159 . 1 1 119 119 VAL N N 15 128.000 0.10 . 1 . . . . 119 V N . 6515 1 1160 . 1 1 120 120 ALA H H 1 9.559 0.05 . 1 . . . . 120 A H . 6515 1 1161 . 1 1 120 120 ALA HA H 1 4.330 0.05 . 1 . . . . 120 A HA . 6515 1 1162 . 1 1 120 120 ALA HB1 H 1 1.582 0.05 . 1 . . . . 120 A HB . 6515 1 1163 . 1 1 120 120 ALA HB2 H 1 1.582 0.05 . 1 . . . . 120 A HB . 6515 1 1164 . 1 1 120 120 ALA HB3 H 1 1.582 0.05 . 1 . . . . 120 A HB . 6515 1 1165 . 1 1 120 120 ALA C C 13 176.803 0.15 . 1 . . . . 120 A C . 6515 1 1166 . 1 1 120 120 ALA CA C 13 53.194 0.15 . 1 . . . . 120 A CA . 6515 1 1167 . 1 1 120 120 ALA CB C 13 18.628 0.15 . 1 . . . . 120 A CB . 6515 1 1168 . 1 1 120 120 ALA N N 15 131.752 0.10 . 1 . . . . 120 A N . 6515 1 1169 . 1 1 121 121 TYR H H 1 8.262 0.05 . 1 . . . . 121 Y H . 6515 1 1170 . 1 1 121 121 TYR HA H 1 3.799 0.05 . 1 . . . . 121 Y HA . 6515 1 1171 . 1 1 121 121 TYR HB2 H 1 2.975 0.05 . 2 . . . . 121 Y HB2 . 6515 1 1172 . 1 1 121 121 TYR HB3 H 1 2.748 0.05 . 2 . . . . 121 Y HB3 . 6515 1 1173 . 1 1 121 121 TYR HD1 H 1 6.836 0.05 . 4 . . . . 121 Y HD1 . 6515 1 1174 . 1 1 121 121 TYR C C 13 175.151 0.15 . 1 . . . . 121 Y C . 6515 1 1175 . 1 1 121 121 TYR CA C 13 63.117 0.15 . 1 . . . . 121 Y CA . 6515 1 1176 . 1 1 121 121 TYR CB C 13 39.107 0.15 . 1 . . . . 121 Y CB . 6515 1 1177 . 1 1 121 121 TYR N N 15 124.314 0.10 . 1 . . . . 121 Y N . 6515 1 1178 . 1 1 122 122 SER H H 1 9.162 0.05 . 1 . . . . 122 S H . 6515 1 1179 . 1 1 122 122 SER HA H 1 4.098 0.05 . 1 . . . . 122 S HA . 6515 1 1180 . 1 1 122 122 SER HB2 H 1 3.901 0.05 . 2 . . . . 122 S HB2 . 6515 1 1181 . 1 1 122 122 SER C C 13 175.775 0.15 . 1 . . . . 122 S C . 6515 1 1182 . 1 1 122 122 SER CA C 13 61.427 0.15 . 1 . . . . 122 S CA . 6515 1 1183 . 1 1 122 122 SER CB C 13 61.950 0.15 . 1 . . . . 122 S CB . 6515 1 1184 . 1 1 122 122 SER N N 15 111.919 0.10 . 1 . . . . 122 S N . 6515 1 1185 . 1 1 123 123 ILE H H 1 6.921 0.05 . 1 . . . . 123 I H . 6515 1 1186 . 1 1 123 123 ILE HA H 1 3.847 0.05 . 1 . . . . 123 I HA . 6515 1 1187 . 1 1 123 123 ILE HB H 1 2.067 0.05 . 1 . . . . 123 I HB . 6515 1 1188 . 1 1 123 123 ILE HG12 H 1 1.138 0.05 . 2 . . . . 123 I HG12 . 6515 1 1189 . 1 1 123 123 ILE HG21 H 1 0.986 0.05 . 2 . . . . 123 I HG2 . 6515 1 1190 . 1 1 123 123 ILE HG22 H 1 0.986 0.05 . 2 . . . . 123 I HG2 . 6515 1 1191 . 1 1 123 123 ILE HG23 H 1 0.986 0.05 . 2 . . . . 123 I HG2 . 6515 1 1192 . 1 1 123 123 ILE HD11 H 1 0.945 0.05 . 2 . . . . 123 I HD1 . 6515 1 1193 . 1 1 123 123 ILE HD12 H 1 0.945 0.05 . 2 . . . . 123 I HD1 . 6515 1 1194 . 1 1 123 123 ILE HD13 H 1 0.945 0.05 . 2 . . . . 123 I HD1 . 6515 1 1195 . 1 1 123 123 ILE C C 13 177.313 0.15 . 1 . . . . 123 I C . 6515 1 1196 . 1 1 123 123 ILE CA C 13 63.893 0.15 . 1 . . . . 123 I CA . 6515 1 1197 . 1 1 123 123 ILE CB C 13 37.740 0.15 . 1 . . . . 123 I CB . 6515 1 1198 . 1 1 123 123 ILE CG2 C 13 16.648 0.15 . 1 . . . . 123 I CG2 . 6515 1 1199 . 1 1 123 123 ILE CD1 C 13 12.849 0.15 . 1 . . . . 123 I CD1 . 6515 1 1200 . 1 1 123 123 ILE N N 15 124.121 0.10 . 1 . . . . 123 I N . 6515 1 1201 . 1 1 124 124 ALA H H 1 8.489 0.05 . 1 . . . . 124 A H . 6515 1 1202 . 1 1 124 124 ALA HA H 1 3.858 0.05 . 1 . . . . 124 A HA . 6515 1 1203 . 1 1 124 124 ALA HB1 H 1 1.393 0.05 . 1 . . . . 124 A HB . 6515 1 1204 . 1 1 124 124 ALA HB2 H 1 1.393 0.05 . 1 . . . . 124 A HB . 6515 1 1205 . 1 1 124 124 ALA HB3 H 1 1.393 0.05 . 1 . . . . 124 A HB . 6515 1 1206 . 1 1 124 124 ALA C C 13 177.970 0.15 . 1 . . . . 124 A C . 6515 1 1207 . 1 1 124 124 ALA CA C 13 56.216 0.15 . 1 . . . . 124 A CA . 6515 1 1208 . 1 1 124 124 ALA CB C 13 17.564 0.15 . 1 . . . . 124 A CB . 6515 1 1209 . 1 1 124 124 ALA N N 15 124.707 0.10 . 1 . . . . 124 A N . 6515 1 1210 . 1 1 125 125 VAL H H 1 8.252 0.05 . 1 . . . . 125 V H . 6515 1 1211 . 1 1 125 125 VAL HA H 1 3.484 0.05 . 1 . . . . 125 V HA . 6515 1 1212 . 1 1 125 125 VAL HB H 1 1.857 0.05 . 1 . . . . 125 V HB . 6515 1 1213 . 1 1 125 125 VAL HG11 H 1 0.784 0.05 . 2 . . . . 125 V HG1 . 6515 1 1214 . 1 1 125 125 VAL HG12 H 1 0.784 0.05 . 2 . . . . 125 V HG1 . 6515 1 1215 . 1 1 125 125 VAL HG13 H 1 0.784 0.05 . 2 . . . . 125 V HG1 . 6515 1 1216 . 1 1 125 125 VAL HG21 H 1 0.701 0.05 . 2 . . . . 125 V HG2 . 6515 1 1217 . 1 1 125 125 VAL HG22 H 1 0.701 0.05 . 2 . . . . 125 V HG2 . 6515 1 1218 . 1 1 125 125 VAL HG23 H 1 0.701 0.05 . 2 . . . . 125 V HG2 . 6515 1 1219 . 1 1 125 125 VAL C C 13 177.380 0.15 . 1 . . . . 125 V C . 6515 1 1220 . 1 1 125 125 VAL CA C 13 66.269 0.15 . 1 . . . . 125 V CA . 6515 1 1221 . 1 1 125 125 VAL CB C 13 31.720 0.15 . 1 . . . . 125 V CB . 6515 1 1222 . 1 1 125 125 VAL CG1 C 13 21.504 0.15 . 1 . . . . 125 V CG1 . 6515 1 1223 . 1 1 125 125 VAL CG2 C 13 23.009 0.15 . 1 . . . . 125 V CG2 . 6515 1 1224 . 1 1 125 125 VAL N N 15 114.252 0.10 . 1 . . . . 125 V N . 6515 1 1225 . 1 1 126 126 SER H H 1 7.259 0.05 . 1 . . . . 126 S H . 6515 1 1226 . 1 1 126 126 SER HA H 1 4.268 0.05 . 1 . . . . 126 S HA . 6515 1 1227 . 1 1 126 126 SER HB3 H 1 4.070 0.05 . 2 . . . . 126 S HB3 . 6515 1 1228 . 1 1 126 126 SER C C 13 174.221 0.15 . 1 . . . . 126 S C . 6515 1 1229 . 1 1 126 126 SER CA C 13 60.657 0.15 . 1 . . . . 126 S CA . 6515 1 1230 . 1 1 126 126 SER CB C 13 63.535 0.15 . 1 . . . . 126 S CB . 6515 1 1231 . 1 1 126 126 SER N N 15 114.979 0.10 . 1 . . . . 126 S N . 6515 1 1232 . 1 1 127 127 LEU H H 1 7.562 0.05 . 1 . . . . 127 L H . 6515 1 1233 . 1 1 127 127 LEU HA H 1 4.226 0.05 . 1 . . . . 127 L HA . 6515 1 1234 . 1 1 127 127 LEU HB2 H 1 1.958 0.05 . 2 . . . . 127 L HB2 . 6515 1 1235 . 1 1 127 127 LEU HB3 H 1 1.535 0.05 . 2 . . . . 127 L HB3 . 6515 1 1236 . 1 1 127 127 LEU HG H 1 0.861 0.05 . 1 . . . . 127 L HG . 6515 1 1237 . 1 1 127 127 LEU HD21 H 1 0.860 0.05 . 2 . . . . 127 L HD2 . 6515 1 1238 . 1 1 127 127 LEU HD22 H 1 0.860 0.05 . 2 . . . . 127 L HD2 . 6515 1 1239 . 1 1 127 127 LEU HD23 H 1 0.860 0.05 . 2 . . . . 127 L HD2 . 6515 1 1240 . 1 1 127 127 LEU C C 13 176.074 0.15 . 1 . . . . 127 L C . 6515 1 1241 . 1 1 127 127 LEU CA C 13 55.683 0.15 . 1 . . . . 127 L CA . 6515 1 1242 . 1 1 127 127 LEU CB C 13 43.768 0.15 . 1 . . . . 127 L CB . 6515 1 1243 . 1 1 127 127 LEU CG C 13 26.280 0.15 . 1 . . . . 127 L CG . 6515 1 1244 . 1 1 127 127 LEU CD2 C 13 23.127 0.15 . 1 . . . . 127 L CD2 . 6515 1 1245 . 1 1 127 127 LEU N N 15 122.105 0.10 . 1 . . . . 127 L N . 6515 1 1246 . 1 1 128 128 MET H H 1 7.260 0.05 . 1 . . . . 128 M H . 6515 1 1247 . 1 1 128 128 MET HA H 1 3.851 0.05 . 1 . . . . 128 M HA . 6515 1 1248 . 1 1 128 128 MET HB2 H 1 1.770 0.05 . 2 . . . . 128 M HB2 . 6515 1 1249 . 1 1 128 128 MET HG2 H 1 2.458 0.05 . 2 . . . . 128 M HG2 . 6515 1 1250 . 1 1 128 128 MET HE1 H 1 1.870 0.05 . 1 . . . . 128 M HE . 6515 1 1251 . 1 1 128 128 MET HE2 H 1 1.870 0.05 . 1 . . . . 128 M HE . 6515 1 1252 . 1 1 128 128 MET HE3 H 1 1.870 0.05 . 1 . . . . 128 M HE . 6515 1 1253 . 1 1 128 128 MET C C 13 174.903 0.15 . 1 . . . . 128 M C . 6515 1 1254 . 1 1 128 128 MET CA C 13 55.843 0.15 . 1 . . . . 128 M CA . 6515 1 1255 . 1 1 128 128 MET CB C 13 34.710 0.15 . 1 . . . . 128 M CB . 6515 1 1256 . 1 1 128 128 MET CG C 13 32.689 0.15 . 1 . . . . 128 M CG . 6515 1 1257 . 1 1 128 128 MET CE C 13 17.649 0.15 . 1 . . . . 128 M CE . 6515 1 1258 . 1 1 128 128 MET N N 15 117.213 0.10 . 1 . . . . 128 M N . 6515 1 1259 . 1 1 129 129 LYS H H 1 6.420 0.05 . 1 . . . . 129 K H . 6515 1 1260 . 1 1 129 129 LYS HA H 1 3.759 0.05 . 1 . . . . 129 K HA . 6515 1 1261 . 1 1 129 129 LYS HB2 H 1 1.155 0.05 . 2 . . . . 129 K HB2 . 6515 1 1262 . 1 1 129 129 LYS HB3 H 1 0.871 0.05 . 2 . . . . 129 K HB3 . 6515 1 1263 . 1 1 129 129 LYS HG2 H 1 1.099 0.05 . 2 . . . . 129 K HG2 . 6515 1 1264 . 1 1 129 129 LYS HD2 H 1 1.402 0.05 . 2 . . . . 129 K HD2 . 6515 1 1265 . 1 1 129 129 LYS HD3 H 1 1.492 0.05 . 2 . . . . 129 K HD3 . 6515 1 1266 . 1 1 129 129 LYS HE2 H 1 2.772 0.05 . 2 . . . . 129 K HE2 . 6515 1 1267 . 1 1 129 129 LYS C C 13 175.283 0.15 . 1 . . . . 129 K C . 6515 1 1268 . 1 1 129 129 LYS CA C 13 57.987 0.15 . 1 . . . . 129 K CA . 6515 1 1269 . 1 1 129 129 LYS CB C 13 31.456 0.15 . 1 . . . . 129 K CB . 6515 1 1270 . 1 1 129 129 LYS CG C 13 24.608 0.15 . 1 . . . . 129 K CG . 6515 1 1271 . 1 1 129 129 LYS CD C 13 28.906 0.15 . 1 . . . . 129 K CD . 6515 1 1272 . 1 1 129 129 LYS CE C 13 40.439 0.15 . 1 . . . . 129 K CE . 6515 1 1273 . 1 1 129 129 LYS N N 15 121.949 0.10 . 1 . . . . 129 K N . 6515 1 1274 . 1 1 130 130 ASP H H 1 7.738 0.05 . 1 . . . . 130 D H . 6515 1 1275 . 1 1 130 130 ASP HA H 1 4.616 0.05 . 1 . . . . 130 D HA . 6515 1 1276 . 1 1 130 130 ASP HB3 H 1 2.656 0.05 . 2 . . . . 130 D HB3 . 6515 1 1277 . 1 1 130 130 ASP C C 13 175.169 0.15 . 1 . . . . 130 D C . 6515 1 1278 . 1 1 130 130 ASP CA C 13 53.752 0.15 . 1 . . . . 130 D CA . 6515 1 1279 . 1 1 130 130 ASP CB C 13 42.952 0.15 . 1 . . . . 130 D CB . 6515 1 1280 . 1 1 130 130 ASP N N 15 117.085 0.10 . 1 . . . . 130 D N . 6515 1 1281 . 1 1 131 131 MET H H 1 8.606 0.05 . 1 . . . . 131 M H . 6515 1 1282 . 1 1 131 131 MET HA H 1 4.577 0.05 . 1 . . . . 131 M HA . 6515 1 1283 . 1 1 131 131 MET HB2 H 1 2.102 0.05 . 2 . . . . 131 M HB2 . 6515 1 1284 . 1 1 131 131 MET HG2 H 1 2.494 0.05 . 2 . . . . 131 M HG2 . 6515 1 1285 . 1 1 131 131 MET HE1 H 1 2.145 0.05 . 2 . . . . 131 M HE . 6515 1 1286 . 1 1 131 131 MET HE2 H 1 2.145 0.05 . 2 . . . . 131 M HE . 6515 1 1287 . 1 1 131 131 MET HE3 H 1 2.145 0.05 . 2 . . . . 131 M HE . 6515 1 1288 . 1 1 131 131 MET C C 13 174.701 0.15 . 1 . . . . 131 M C . 6515 1 1289 . 1 1 131 131 MET CA C 13 57.270 0.15 . 1 . . . . 131 M CA . 6515 1 1290 . 1 1 131 131 MET CB C 13 33.166 0.15 . 1 . . . . 131 M CB . 6515 1 1291 . 1 1 131 131 MET CG C 13 32.086 0.15 . 1 . . . . 131 M CG . 6515 1 1292 . 1 1 131 131 MET CE C 13 18.722 0.15 . 1 . . . . 131 M CE . 6515 1 1293 . 1 1 131 131 MET N N 15 121.685 0.10 . 1 . . . . 131 M N . 6515 1 1294 . 1 1 132 132 CYS H H 1 8.410 0.05 . 1 . . . . 132 C H . 6515 1 1295 . 1 1 132 132 CYS HA H 1 4.503 0.05 . 1 . . . . 132 C HA . 6515 1 1296 . 1 1 132 132 CYS HB2 H 1 3.021 0.05 . 1 . . . . 132 C HB2 . 6515 1 1297 . 1 1 132 132 CYS C C 13 173.065 0.15 . 1 . . . . 132 C C . 6515 1 1298 . 1 1 132 132 CYS CA C 13 59.347 0.15 . 1 . . . . 132 C CA . 6515 1 1299 . 1 1 132 132 CYS CB C 13 27.963 0.15 . 1 . . . . 132 C CB . 6515 1 1300 . 1 1 132 132 CYS N N 15 116.025 0.10 . 1 . . . . 132 C N . 6515 1 1301 . 1 1 133 133 THR H H 1 7.839 0.05 . 1 . . . . 133 T H . 6515 1 1302 . 1 1 133 133 THR HA H 1 4.495 0.05 . 1 . . . . 133 T HA . 6515 1 1303 . 1 1 133 133 THR HB H 1 4.067 0.05 . 1 . . . . 133 T HB . 6515 1 1304 . 1 1 133 133 THR HG21 H 1 1.170 0.05 . 1 . . . . 133 T HG2 . 6515 1 1305 . 1 1 133 133 THR HG22 H 1 1.170 0.05 . 1 . . . . 133 T HG2 . 6515 1 1306 . 1 1 133 133 THR HG23 H 1 1.170 0.05 . 1 . . . . 133 T HG2 . 6515 1 1307 . 1 1 133 133 THR C C 13 170.460 0.15 . 1 . . . . 133 T C . 6515 1 1308 . 1 1 133 133 THR CA C 13 61.218 0.15 . 1 . . . . 133 T CA . 6515 1 1309 . 1 1 133 133 THR CB C 13 70.995 0.15 . 1 . . . . 133 T CB . 6515 1 1310 . 1 1 133 133 THR CG2 C 13 21.527 0.15 . 1 . . . . 133 T CG2 . 6515 1 1311 . 1 1 133 133 THR N N 15 116.137 0.10 . 1 . . . . 133 T N . 6515 1 1312 . 1 1 134 134 ASP H H 1 8.006 0.05 . 1 . . . . 134 D H . 6515 1 1313 . 1 1 134 134 ASP HA H 1 4.732 0.05 . 1 . . . . 134 D HA . 6515 1 1314 . 1 1 134 134 ASP HB2 H 1 2.487 0.05 . 2 . . . . 134 D HB2 . 6515 1 1315 . 1 1 134 134 ASP HB3 H 1 2.141 0.05 . 2 . . . . 134 D HB3 . 6515 1 1316 . 1 1 134 134 ASP C C 13 175.019 0.15 . 1 . . . . 134 D C . 6515 1 1317 . 1 1 134 134 ASP CA C 13 54.353 0.15 . 1 . . . . 134 D CA . 6515 1 1318 . 1 1 134 134 ASP CB C 13 41.793 0.15 . 1 . . . . 134 D CB . 6515 1 1319 . 1 1 134 134 ASP N N 15 120.597 0.10 . 1 . . . . 134 D N . 6515 1 1320 . 1 1 135 135 TRP H H 1 8.767 0.05 . 1 . . . . 135 W H . 6515 1 1321 . 1 1 135 135 TRP HA H 1 4.915 0.05 . 1 . . . . 135 W HA . 6515 1 1322 . 1 1 135 135 TRP HB3 H 1 3.249 0.05 . 2 . . . . 135 W HB3 . 6515 1 1323 . 1 1 135 135 TRP HD1 H 1 7.503 0.05 . 4 . . . . 135 W HD1 . 6515 1 1324 . 1 1 135 135 TRP HE1 H 1 10.052 0.05 . 4 . . . . 135 W HE1 . 6515 1 1325 . 1 1 135 135 TRP HE3 H 1 7.734 0.05 . 4 . . . . 135 W HE3 . 6515 1 1326 . 1 1 135 135 TRP HZ2 H 1 7.154 0.05 . 4 . . . . 135 W HZ2 . 6515 1 1327 . 1 1 135 135 TRP HH2 H 1 7.304 0.05 . 2 . . . . 135 W HH2 . 6515 1 1328 . 1 1 135 135 TRP C C 13 172.841 0.15 . 1 . . . . 135 W C . 6515 1 1329 . 1 1 135 135 TRP CA C 13 56.324 0.15 . 1 . . . . 135 W CA . 6515 1 1330 . 1 1 135 135 TRP CB C 13 33.545 0.15 . 1 . . . . 135 W CB . 6515 1 1331 . 1 1 135 135 TRP N N 15 121.931 0.10 . 1 . . . . 135 W N . 6515 1 1332 . 1 1 135 135 TRP NE1 N 15 129.320 0.10 . 1 . . . . 135 W NE1 . 6515 1 1333 . 1 1 136 136 ASP H H 1 7.772 0.05 . 1 . . . . 136 D H . 6515 1 1334 . 1 1 136 136 ASP HA H 1 5.294 0.05 . 1 . . . . 136 D HA . 6515 1 1335 . 1 1 136 136 ASP HB3 H 1 2.247 0.05 . 1 . . . . 136 D HB3 . 6515 1 1336 . 1 1 136 136 ASP C C 13 174.511 0.15 . 1 . . . . 136 D C . 6515 1 1337 . 1 1 136 136 ASP CA C 13 53.851 0.15 . 1 . . . . 136 D CA . 6515 1 1338 . 1 1 136 136 ASP CB C 13 42.203 0.15 . 1 . . . . 136 D CB . 6515 1 1339 . 1 1 136 136 ASP N N 15 124.739 0.10 . 1 . . . . 136 D N . 6515 1 1340 . 1 1 137 137 ILE H H 1 9.113 0.05 . 1 . . . . 137 I H . 6515 1 1341 . 1 1 137 137 ILE HA H 1 4.629 0.05 . 1 . . . . 137 I HA . 6515 1 1342 . 1 1 137 137 ILE HB H 1 1.917 0.05 . 1 . . . . 137 I HB . 6515 1 1343 . 1 1 137 137 ILE HG21 H 1 0.882 0.05 . 1 . . . . 137 I HG2 . 6515 1 1344 . 1 1 137 137 ILE HG22 H 1 0.882 0.05 . 1 . . . . 137 I HG2 . 6515 1 1345 . 1 1 137 137 ILE HG23 H 1 0.882 0.05 . 1 . . . . 137 I HG2 . 6515 1 1346 . 1 1 137 137 ILE HD11 H 1 0.775 0.05 . 1 . . . . 137 I HD1 . 6515 1 1347 . 1 1 137 137 ILE HD12 H 1 0.775 0.05 . 1 . . . . 137 I HD1 . 6515 1 1348 . 1 1 137 137 ILE HD13 H 1 0.775 0.05 . 1 . . . . 137 I HD1 . 6515 1 1349 . 1 1 137 137 ILE C C 13 173.465 0.15 . 1 . . . . 137 I C . 6515 1 1350 . 1 1 137 137 ILE CA C 13 59.495 0.15 . 1 . . . . 137 I CA . 6515 1 1351 . 1 1 137 137 ILE CB C 13 41.677 0.15 . 1 . . . . 137 I CB . 6515 1 1352 . 1 1 137 137 ILE CG1 C 13 26.185 0.15 . 1 . . . . 137 I CG1 . 6515 1 1353 . 1 1 137 137 ILE CG2 C 13 18.544 0.15 . 1 . . . . 137 I CG2 . 6515 1 1354 . 1 1 137 137 ILE CD1 C 13 13.590 0.15 . 1 . . . . 137 I CD1 . 6515 1 1355 . 1 1 137 137 ILE N N 15 116.879 0.10 . 1 . . . . 137 I N . 6515 1 1356 . 1 1 138 138 ASP H H 1 8.248 0.05 . 1 . . . . 138 D H . 6515 1 1357 . 1 1 138 138 ASP HA H 1 5.118 0.05 . 1 . . . . 138 D HA . 6515 1 1358 . 1 1 138 138 ASP HB3 H 1 2.639 0.05 . 2 . . . . 138 D HB3 . 6515 1 1359 . 1 1 138 138 ASP C C 13 174.389 0.15 . 1 . . . . 138 D C . 6515 1 1360 . 1 1 138 138 ASP CA C 13 53.735 0.15 . 1 . . . . 138 D CA . 6515 1 1361 . 1 1 138 138 ASP CB C 13 42.173 0.15 . 1 . . . . 138 D CB . 6515 1 1362 . 1 1 138 138 ASP N N 15 121.220 0.10 . 1 . . . . 138 D N . 6515 1 1363 . 1 1 139 139 TYR H H 1 8.684 0.05 . 1 . . . . 139 Y H . 6515 1 1364 . 1 1 139 139 TYR HA H 1 5.885 0.05 . 1 . . . . 139 Y HA . 6515 1 1365 . 1 1 139 139 TYR HB2 H 1 2.763 0.05 . 2 . . . . 139 Y HB2 . 6515 1 1366 . 1 1 139 139 TYR HB3 H 1 2.953 0.05 . 2 . . . . 139 Y HB3 . 6515 1 1367 . 1 1 139 139 TYR HD1 H 1 6.547 0.05 . 4 . . . . 139 Y HD1 . 6515 1 1368 . 1 1 139 139 TYR HE1 H 1 6.408 0.05 . 4 . . . . 139 Y HE1 . 6515 1 1369 . 1 1 139 139 TYR C C 13 173.070 0.15 . 1 . . . . 139 Y C . 6515 1 1370 . 1 1 139 139 TYR CA C 13 56.457 0.15 . 1 . . . . 139 Y CA . 6515 1 1371 . 1 1 139 139 TYR CB C 13 42.151 0.15 . 1 . . . . 139 Y CB . 6515 1 1372 . 1 1 139 139 TYR N N 15 118.177 0.10 . 1 . . . . 139 Y N . 6515 1 1373 . 1 1 140 140 GLN H H 1 8.815 0.05 . 1 . . . . 140 Q H . 6515 1 1374 . 1 1 140 140 GLN HA H 1 4.665 0.05 . 1 . . . . 140 Q HA . 6515 1 1375 . 1 1 140 140 GLN HB3 H 1 1.954 0.05 . 2 . . . . 140 Q HB3 . 6515 1 1376 . 1 1 140 140 GLN HG2 H 1 2.255 0.05 . 2 . . . . 140 Q HG2 . 6515 1 1377 . 1 1 140 140 GLN HE21 H 1 8.060 0.05 . 2 . . . . 140 Q HE21 . 6515 1 1378 . 1 1 140 140 GLN HE22 H 1 6.760 0.05 . 2 . . . . 140 Q HE22 . 6515 1 1379 . 1 1 140 140 GLN C C 13 172.450 0.15 . 1 . . . . 140 Q C . 6515 1 1380 . 1 1 140 140 GLN CA C 13 55.570 0.15 . 1 . . . . 140 Q CA . 6515 1 1381 . 1 1 140 140 GLN CB C 13 32.035 0.15 . 1 . . . . 140 Q CB . 6515 1 1382 . 1 1 140 140 GLN CG C 13 33.599 0.15 . 1 . . . . 140 Q CG . 6515 1 1383 . 1 1 140 140 GLN N N 15 120.517 0.10 . 1 . . . . 140 Q N . 6515 1 1384 . 1 1 140 140 GLN NE2 N 15 114.045 0.10 . 1 . . . . 140 Q NE2 . 6515 1 1385 . 1 1 141 141 LEU H H 1 9.011 0.05 . 1 . . . . 141 L H . 6515 1 1386 . 1 1 141 141 LEU HA H 1 5.465 0.05 . 1 . . . . 141 L HA . 6515 1 1387 . 1 1 141 141 LEU HB3 H 1 1.271 0.05 . 2 . . . . 141 L HB3 . 6515 1 1388 . 1 1 141 141 LEU HG H 1 0.595 0.05 . 1 . . . . 141 L HG . 6515 1 1389 . 1 1 141 141 LEU HD21 H 1 0.787 0.05 . 2 . . . . 141 L HD2 . 6515 1 1390 . 1 1 141 141 LEU HD22 H 1 0.787 0.05 . 2 . . . . 141 L HD2 . 6515 1 1391 . 1 1 141 141 LEU HD23 H 1 0.787 0.05 . 2 . . . . 141 L HD2 . 6515 1 1392 . 1 1 141 141 LEU C C 13 171.834 0.15 . 1 . . . . 141 L C . 6515 1 1393 . 1 1 141 141 LEU CA C 13 53.428 0.15 . 1 . . . . 141 L CA . 6515 1 1394 . 1 1 141 141 LEU CB C 13 45.442 0.15 . 1 . . . . 141 L CB . 6515 1 1395 . 1 1 141 141 LEU CG C 13 27.535 0.15 . 1 . . . . 141 L CG . 6515 1 1396 . 1 1 141 141 LEU CD2 C 13 22.874 0.15 . 1 . . . . 141 L CD2 . 6515 1 1397 . 1 1 141 141 LEU N N 15 129.073 0.10 . 1 . . . . 141 L N . 6515 1 1398 . 1 1 142 142 ASP H H 1 9.005 0.05 . 1 . . . . 142 D H . 6515 1 1399 . 1 1 142 142 ASP HA H 1 5.445 0.05 . 1 . . . . 142 D HA . 6515 1 1400 . 1 1 142 142 ASP HB3 H 1 2.484 0.05 . 2 . . . . 142 D HB3 . 6515 1 1401 . 1 1 142 142 ASP C C 13 173.457 0.15 . 1 . . . . 142 D C . 6515 1 1402 . 1 1 142 142 ASP CA C 13 53.324 0.15 . 1 . . . . 142 D CA . 6515 1 1403 . 1 1 142 142 ASP CB C 13 43.776 0.15 . 1 . . . . 142 D CB . 6515 1 1404 . 1 1 142 142 ASP N N 15 127.276 0.10 . 1 . . . . 142 D N . 6515 1 1405 . 1 1 143 143 ILE H H 1 9.211 0.05 . 1 . . . . 143 I H . 6515 1 1406 . 1 1 143 143 ILE HA H 1 5.150 0.05 . 1 . . . . 143 I HA . 6515 1 1407 . 1 1 143 143 ILE HB H 1 1.612 0.05 . 1 . . . . 143 I HB . 6515 1 1408 . 1 1 143 143 ILE HG12 H 1 1.453 0.05 . 2 . . . . 143 I HG12 . 6515 1 1409 . 1 1 143 143 ILE HG13 H 1 0.928 0.05 . 2 . . . . 143 I HG13 . 6515 1 1410 . 1 1 143 143 ILE HG21 H 1 0.794 0.05 . 1 . . . . 143 I HG2 . 6515 1 1411 . 1 1 143 143 ILE HG22 H 1 0.794 0.05 . 1 . . . . 143 I HG2 . 6515 1 1412 . 1 1 143 143 ILE HG23 H 1 0.794 0.05 . 1 . . . . 143 I HG2 . 6515 1 1413 . 1 1 143 143 ILE HD11 H 1 0.568 0.05 . 2 . . . . 143 I HD1 . 6515 1 1414 . 1 1 143 143 ILE HD12 H 1 0.568 0.05 . 2 . . . . 143 I HD1 . 6515 1 1415 . 1 1 143 143 ILE HD13 H 1 0.568 0.05 . 2 . . . . 143 I HD1 . 6515 1 1416 . 1 1 143 143 ILE C C 13 173.526 0.15 . 1 . . . . 143 I C . 6515 1 1417 . 1 1 143 143 ILE CA C 13 58.698 0.15 . 1 . . . . 143 I CA . 6515 1 1418 . 1 1 143 143 ILE CB C 13 42.171 0.15 . 1 . . . . 143 I CB . 6515 1 1419 . 1 1 143 143 ILE CG1 C 13 28.002 0.15 . 1 . . . . 143 I CG1 . 6515 1 1420 . 1 1 143 143 ILE CG2 C 13 17.688 0.15 . 1 . . . . 143 I CG2 . 6515 1 1421 . 1 1 143 143 ILE CD1 C 13 13.867 0.15 . 1 . . . . 143 I CD1 . 6515 1 1422 . 1 1 143 143 ILE N N 15 121.472 0.10 . 1 . . . . 143 I N . 6515 1 1423 . 1 1 144 144 GLY H H 1 9.214 0.05 . 1 . . . . 144 G H . 6515 1 1424 . 1 1 144 144 GLY HA2 H 1 2.965 0.05 . 2 . . . . 144 G HA1 . 6515 1 1425 . 1 1 144 144 GLY HA3 H 1 4.766 0.05 . 2 . . . . 144 G HA2 . 6515 1 1426 . 1 1 144 144 GLY C C 13 171.850 0.15 . 1 . . . . 144 G C . 6515 1 1427 . 1 1 144 144 GLY CA C 13 44.457 0.15 . 1 . . . . 144 G CA . 6515 1 1428 . 1 1 144 144 GLY N N 15 111.999 0.10 . 1 . . . . 144 G N . 6515 1 1429 . 1 1 145 145 LEU H H 1 8.525 0.05 . 1 . . . . 145 L H . 6515 1 1430 . 1 1 145 145 LEU HA H 1 4.623 0.05 . 1 . . . . 145 L HA . 6515 1 1431 . 1 1 145 145 LEU HB2 H 1 0.811 0.05 . 2 . . . . 145 L HB2 . 6515 1 1432 . 1 1 145 145 LEU HG H 1 0.839 0.05 . 1 . . . . 145 L HG . 6515 1 1433 . 1 1 145 145 LEU HD21 H 1 0.733 0.05 . 2 . . . . 145 L HD2 . 6515 1 1434 . 1 1 145 145 LEU HD22 H 1 0.733 0.05 . 2 . . . . 145 L HD2 . 6515 1 1435 . 1 1 145 145 LEU HD23 H 1 0.733 0.05 . 2 . . . . 145 L HD2 . 6515 1 1436 . 1 1 145 145 LEU C C 13 172.545 0.15 . 1 . . . . 145 L C . 6515 1 1437 . 1 1 145 145 LEU CA C 13 53.991 0.15 . 1 . . . . 145 L CA . 6515 1 1438 . 1 1 145 145 LEU CB C 13 44.505 0.15 . 1 . . . . 145 L CB . 6515 1 1439 . 1 1 145 145 LEU CG C 13 27.479 0.15 . 1 . . . . 145 L CG . 6515 1 1440 . 1 1 145 145 LEU N N 15 127.494 0.10 . 1 . . . . 145 L N . 6515 1 1441 . 1 1 146 146 THR H H 1 8.384 0.05 . 1 . . . . 146 T H . 6515 1 1442 . 1 1 146 146 THR HA H 1 5.307 0.05 . 1 . . . . 146 T HA . 6515 1 1443 . 1 1 146 146 THR HB H 1 3.661 0.05 . 1 . . . . 146 T HB . 6515 1 1444 . 1 1 146 146 THR HG21 H 1 1.045 0.05 . 2 . . . . 146 T HG2 . 6515 1 1445 . 1 1 146 146 THR HG22 H 1 1.045 0.05 . 2 . . . . 146 T HG2 . 6515 1 1446 . 1 1 146 146 THR HG23 H 1 1.045 0.05 . 2 . . . . 146 T HG2 . 6515 1 1447 . 1 1 146 146 THR C C 13 172.094 0.15 . 1 . . . . 146 T C . 6515 1 1448 . 1 1 146 146 THR CA C 13 61.628 0.15 . 1 . . . . 146 T CA . 6515 1 1449 . 1 1 146 146 THR CB C 13 69.775 0.15 . 1 . . . . 146 T CB . 6515 1 1450 . 1 1 146 146 THR CG2 C 13 21.775 0.15 . 1 . . . . 146 T CG2 . 6515 1 1451 . 1 1 146 146 THR N N 15 121.163 0.10 . 1 . . . . 146 T N . 6515 1 1452 . 1 1 147 147 PHE H H 1 9.276 0.05 . 1 . . . . 147 F H . 6515 1 1453 . 1 1 147 147 PHE HA H 1 5.506 0.05 . 1 . . . . 147 F HA . 6515 1 1454 . 1 1 147 147 PHE HB2 H 1 3.123 0.05 . 2 . . . . 147 F HB2 . 6515 1 1455 . 1 1 147 147 PHE HB3 H 1 2.610 0.05 . 2 . . . . 147 F HB3 . 6515 1 1456 . 1 1 147 147 PHE HD1 H 1 7.137 0.05 . 2 . . . . 147 F HD1 . 6515 1 1457 . 1 1 147 147 PHE HE1 H 1 6.905 0.05 . 2 . . . . 147 F HE1 . 6515 1 1458 . 1 1 147 147 PHE C C 13 172.152 0.15 . 1 . . . . 147 F C . 6515 1 1459 . 1 1 147 147 PHE CA C 13 55.501 0.15 . 1 . . . . 147 F CA . 6515 1 1460 . 1 1 147 147 PHE CB C 13 43.658 0.15 . 1 . . . . 147 F CB . 6515 1 1461 . 1 1 147 147 PHE N N 15 126.074 0.10 . 1 . . . . 147 F N . 6515 1 1462 . 1 1 148 148 ASP H H 1 7.648 0.05 . 1 . . . . 148 D H . 6515 1 1463 . 1 1 148 148 ASP HA H 1 4.835 0.05 . 1 . . . . 148 D HA . 6515 1 1464 . 1 1 148 148 ASP HB2 H 1 2.640 0.05 . 2 . . . . 148 D HB2 . 6515 1 1465 . 1 1 148 148 ASP HB3 H 1 2.327 0.05 . 2 . . . . 148 D HB3 . 6515 1 1466 . 1 1 148 148 ASP C C 13 174.567 0.15 . 1 . . . . 148 D C . 6515 1 1467 . 1 1 148 148 ASP CA C 13 52.841 0.15 . 1 . . . . 148 D CA . 6515 1 1468 . 1 1 148 148 ASP CB C 13 41.440 0.15 . 1 . . . . 148 D CB . 6515 1 1469 . 1 1 148 148 ASP N N 15 120.510 0.10 . 1 . . . . 148 D N . 6515 1 1470 . 1 1 149 149 ILE H H 1 8.207 0.05 . 1 . . . . 149 I H . 6515 1 1471 . 1 1 149 149 ILE HA H 1 4.457 0.05 . 1 . . . . 149 I HA . 6515 1 1472 . 1 1 149 149 ILE HB H 1 1.984 0.05 . 1 . . . . 149 I HB . 6515 1 1473 . 1 1 149 149 ILE HG21 H 1 0.912 0.05 . 1 . . . . 149 I HG2 . 6515 1 1474 . 1 1 149 149 ILE HG22 H 1 0.912 0.05 . 1 . . . . 149 I HG2 . 6515 1 1475 . 1 1 149 149 ILE HG23 H 1 0.912 0.05 . 1 . . . . 149 I HG2 . 6515 1 1476 . 1 1 149 149 ILE HD11 H 1 0.889 0.05 . 2 . . . . 149 I HD1 . 6515 1 1477 . 1 1 149 149 ILE HD12 H 1 0.889 0.05 . 2 . . . . 149 I HD1 . 6515 1 1478 . 1 1 149 149 ILE HD13 H 1 0.889 0.05 . 2 . . . . 149 I HD1 . 6515 1 1479 . 1 1 149 149 ILE CA C 13 57.136 0.15 . 1 . . . . 149 I CA . 6515 1 1480 . 1 1 149 149 ILE CB C 13 37.879 0.15 . 1 . . . . 149 I CB . 6515 1 1481 . 1 1 149 149 ILE CD1 C 13 12.820 0.15 . 1 . . . . 149 I CD1 . 6515 1 1482 . 1 1 149 149 ILE N N 15 122.135 0.10 . 1 . . . . 149 I N . 6515 1 1483 . 1 1 150 150 PRO HA H 1 4.159 0.05 . 1 . . . . 150 P HA . 6515 1 1484 . 1 1 150 150 PRO HB2 H 1 2.290 0.05 . 2 . . . . 150 P HB2 . 6515 1 1485 . 1 1 150 150 PRO HB3 H 1 1.790 0.05 . 2 . . . . 150 P HB3 . 6515 1 1486 . 1 1 150 150 PRO C C 13 176.720 0.15 . 1 . . . . 150 P C . 6515 1 1487 . 1 1 150 150 PRO CA C 13 64.312 0.15 . 1 . . . . 150 P CA . 6515 1 1488 . 1 1 150 150 PRO CB C 13 31.622 0.15 . 1 . . . . 150 P CB . 6515 1 1489 . 1 1 150 150 PRO CG C 13 27.344 0.15 . 1 . . . . 150 P CG . 6515 1 1490 . 1 1 151 151 VAL H H 1 8.964 0.05 . 1 . . . . 151 V H . 6515 1 1491 . 1 1 151 151 VAL HA H 1 3.217 0.05 . 1 . . . . 151 V HA . 6515 1 1492 . 1 1 151 151 VAL HB H 1 2.786 0.05 . 1 . . . . 151 V HB . 6515 1 1493 . 1 1 151 151 VAL HG11 H 1 0.939 0.05 . 1 . . . . 151 V HG1 . 6515 1 1494 . 1 1 151 151 VAL HG12 H 1 0.939 0.05 . 1 . . . . 151 V HG1 . 6515 1 1495 . 1 1 151 151 VAL HG13 H 1 0.939 0.05 . 1 . . . . 151 V HG1 . 6515 1 1496 . 1 1 151 151 VAL C C 13 177.061 0.15 . 1 . . . . 151 V C . 6515 1 1497 . 1 1 151 151 VAL CA C 13 69.094 0.15 . 1 . . . . 151 V CA . 6515 1 1498 . 1 1 151 151 VAL CB C 13 30.432 0.15 . 1 . . . . 151 V CB . 6515 1 1499 . 1 1 151 151 VAL CG1 C 13 21.617 0.15 . 1 . . . . 151 V CG1 . 6515 1 1500 . 1 1 151 151 VAL N N 15 120.242 0.10 . 1 . . . . 151 V N . 6515 1 1501 . 1 1 152 152 VAL H H 1 8.847 0.05 . 1 . . . . 152 V H . 6515 1 1502 . 1 1 152 152 VAL HA H 1 3.925 0.05 . 1 . . . . 152 V HA . 6515 1 1503 . 1 1 152 152 VAL HB H 1 1.932 0.05 . 1 . . . . 152 V HB . 6515 1 1504 . 1 1 152 152 VAL HG11 H 1 0.974 0.05 . 2 . . . . 152 V HG1 . 6515 1 1505 . 1 1 152 152 VAL HG12 H 1 0.974 0.05 . 2 . . . . 152 V HG1 . 6515 1 1506 . 1 1 152 152 VAL HG13 H 1 0.974 0.05 . 2 . . . . 152 V HG1 . 6515 1 1507 . 1 1 152 152 VAL HG21 H 1 1.033 0.05 . 2 . . . . 152 V HG2 . 6515 1 1508 . 1 1 152 152 VAL HG22 H 1 1.033 0.05 . 2 . . . . 152 V HG2 . 6515 1 1509 . 1 1 152 152 VAL HG23 H 1 1.033 0.05 . 2 . . . . 152 V HG2 . 6515 1 1510 . 1 1 152 152 VAL C C 13 175.729 0.15 . 1 . . . . 152 V C . 6515 1 1511 . 1 1 152 152 VAL CA C 13 63.705 0.15 . 1 . . . . 152 V CA . 6515 1 1512 . 1 1 152 152 VAL CB C 13 33.129 0.15 . 1 . . . . 152 V CB . 6515 1 1513 . 1 1 152 152 VAL CG1 C 13 21.764 0.15 . 1 . . . . 152 V CG1 . 6515 1 1514 . 1 1 152 152 VAL CG2 C 13 21.523 0.15 . 1 . . . . 152 V CG2 . 6515 1 1515 . 1 1 152 152 VAL N N 15 120.447 0.10 . 1 . . . . 152 V N . 6515 1 1516 . 1 1 153 153 GLY H H 1 8.179 0.05 . 1 . . . . 153 G H . 6515 1 1517 . 1 1 153 153 GLY HA2 H 1 4.184 0.05 . 2 . . . . 153 G HA1 . 6515 1 1518 . 1 1 153 153 GLY HA3 H 1 3.889 0.05 . 2 . . . . 153 G HA2 . 6515 1 1519 . 1 1 153 153 GLY C C 13 172.475 0.15 . 1 . . . . 153 G C . 6515 1 1520 . 1 1 153 153 GLY CA C 13 44.918 0.15 . 1 . . . . 153 G CA . 6515 1 1521 . 1 1 153 153 GLY N N 15 110.854 0.10 . 1 . . . . 153 G N . 6515 1 1522 . 1 1 154 154 ASP H H 1 8.183 0.05 . 1 . . . . 154 D H . 6515 1 1523 . 1 1 154 154 ASP HA H 1 5.197 0.05 . 1 . . . . 154 D HA . 6515 1 1524 . 1 1 154 154 ASP HB2 H 1 2.411 0.05 . 2 . . . . 154 D HB2 . 6515 1 1525 . 1 1 154 154 ASP HB3 H 1 2.289 0.05 . 2 . . . . 154 D HB3 . 6515 1 1526 . 1 1 154 154 ASP C C 13 176.288 0.15 . 1 . . . . 154 D C . 6515 1 1527 . 1 1 154 154 ASP CA C 13 54.540 0.15 . 1 . . . . 154 D CA . 6515 1 1528 . 1 1 154 154 ASP CB C 13 40.470 0.15 . 1 . . . . 154 D CB . 6515 1 1529 . 1 1 154 154 ASP N N 15 122.562 0.10 . 1 . . . . 154 D N . 6515 1 1530 . 1 1 155 155 ILE H H 1 9.076 0.05 . 1 . . . . 155 I H . 6515 1 1531 . 1 1 155 155 ILE HA H 1 4.488 0.05 . 1 . . . . 155 I HA . 6515 1 1532 . 1 1 155 155 ILE HB H 1 1.853 0.05 . 1 . . . . 155 I HB . 6515 1 1533 . 1 1 155 155 ILE HG12 H 1 1.345 0.05 . 2 . . . . 155 I HG12 . 6515 1 1534 . 1 1 155 155 ILE HG21 H 1 1.010 0.05 . 1 . . . . 155 I HG2 . 6515 1 1535 . 1 1 155 155 ILE HG22 H 1 1.010 0.05 . 1 . . . . 155 I HG2 . 6515 1 1536 . 1 1 155 155 ILE HG23 H 1 1.010 0.05 . 1 . . . . 155 I HG2 . 6515 1 1537 . 1 1 155 155 ILE HD11 H 1 0.997 0.05 . 2 . . . . 155 I HD1 . 6515 1 1538 . 1 1 155 155 ILE HD12 H 1 0.997 0.05 . 2 . . . . 155 I HD1 . 6515 1 1539 . 1 1 155 155 ILE HD13 H 1 0.997 0.05 . 2 . . . . 155 I HD1 . 6515 1 1540 . 1 1 155 155 ILE C C 13 173.071 0.15 . 1 . . . . 155 I C . 6515 1 1541 . 1 1 155 155 ILE CA C 13 59.143 0.15 . 1 . . . . 155 I CA . 6515 1 1542 . 1 1 155 155 ILE CB C 13 42.419 0.15 . 1 . . . . 155 I CB . 6515 1 1543 . 1 1 155 155 ILE CG1 C 13 26.970 0.15 . 1 . . . . 155 I CG1 . 6515 1 1544 . 1 1 155 155 ILE CG2 C 13 18.867 0.15 . 1 . . . . 155 I CG2 . 6515 1 1545 . 1 1 155 155 ILE CD1 C 13 14.882 0.15 . 1 . . . . 155 I CD1 . 6515 1 1546 . 1 1 155 155 ILE N N 15 120.831 0.10 . 1 . . . . 155 I N . 6515 1 1547 . 1 1 156 156 THR H H 1 8.570 0.05 . 1 . . . . 156 T H . 6515 1 1548 . 1 1 156 156 THR HA H 1 5.237 0.05 . 1 . . . . 156 T HA . 6515 1 1549 . 1 1 156 156 THR HB H 1 3.778 0.05 . 1 . . . . 156 T HB . 6515 1 1550 . 1 1 156 156 THR HG21 H 1 0.696 0.05 . 1 . . . . 156 T HG2 . 6515 1 1551 . 1 1 156 156 THR HG22 H 1 0.696 0.05 . 1 . . . . 156 T HG2 . 6515 1 1552 . 1 1 156 156 THR HG23 H 1 0.696 0.05 . 1 . . . . 156 T HG2 . 6515 1 1553 . 1 1 156 156 THR C C 13 171.816 0.15 . 1 . . . . 156 T C . 6515 1 1554 . 1 1 156 156 THR CA C 13 61.618 0.15 . 1 . . . . 156 T CA . 6515 1 1555 . 1 1 156 156 THR CB C 13 69.978 0.15 . 1 . . . . 156 T CB . 6515 1 1556 . 1 1 156 156 THR CG2 C 13 20.305 0.15 . 1 . . . . 156 T CG2 . 6515 1 1557 . 1 1 156 156 THR N N 15 121.131 0.10 . 1 . . . . 156 T N . 6515 1 1558 . 1 1 157 157 ILE H H 1 9.334 0.05 . 1 . . . . 157 I H . 6515 1 1559 . 1 1 157 157 ILE HA H 1 4.868 0.05 . 1 . . . . 157 I HA . 6515 1 1560 . 1 1 157 157 ILE HB H 1 2.237 0.05 . 1 . . . . 157 I HB . 6515 1 1561 . 1 1 157 157 ILE HG12 H 1 1.771 0.05 . 2 . . . . 157 I HG12 . 6515 1 1562 . 1 1 157 157 ILE HG21 H 1 1.007 0.05 . 1 . . . . 157 I HG2 . 6515 1 1563 . 1 1 157 157 ILE HG22 H 1 1.007 0.05 . 1 . . . . 157 I HG2 . 6515 1 1564 . 1 1 157 157 ILE HG23 H 1 1.007 0.05 . 1 . . . . 157 I HG2 . 6515 1 1565 . 1 1 157 157 ILE HD11 H 1 1.109 0.05 . 2 . . . . 157 I HD1 . 6515 1 1566 . 1 1 157 157 ILE HD12 H 1 1.109 0.05 . 2 . . . . 157 I HD1 . 6515 1 1567 . 1 1 157 157 ILE HD13 H 1 1.109 0.05 . 2 . . . . 157 I HD1 . 6515 1 1568 . 1 1 157 157 ILE CA C 13 55.275 0.15 . 1 . . . . 157 I CA . 6515 1 1569 . 1 1 157 157 ILE CB C 13 39.045 0.15 . 1 . . . . 157 I CB . 6515 1 1570 . 1 1 157 157 ILE CG2 C 13 16.655 0.15 . 1 . . . . 157 I CG2 . 6515 1 1571 . 1 1 157 157 ILE CD1 C 13 11.688 0.15 . 1 . . . . 157 I CD1 . 6515 1 1572 . 1 1 157 157 ILE N N 15 127.798 0.10 . 1 . . . . 157 I N . 6515 1 1573 . 1 1 158 158 PRO HA H 1 5.463 0.05 . 1 . . . . 158 P HA . 6515 1 1574 . 1 1 158 158 PRO HB2 H 1 2.122 0.05 . 2 . . . . 158 P HB2 . 6515 1 1575 . 1 1 158 158 PRO HB3 H 1 1.926 0.05 . 2 . . . . 158 P HB3 . 6515 1 1576 . 1 1 158 158 PRO HG2 H 1 2.279 0.05 . 2 . . . . 158 P HG2 . 6515 1 1577 . 1 1 158 158 PRO HG3 H 1 1.810 0.05 . 2 . . . . 158 P HG3 . 6515 1 1578 . 1 1 158 158 PRO C C 13 175.029 0.15 . 1 . . . . 158 P C . 6515 1 1579 . 1 1 158 158 PRO CA C 13 60.667 0.15 . 1 . . . . 158 P CA . 6515 1 1580 . 1 1 158 158 PRO CB C 13 32.279 0.15 . 1 . . . . 158 P CB . 6515 1 1581 . 1 1 158 158 PRO CG C 13 26.807 0.15 . 1 . . . . 158 P CG . 6515 1 1582 . 1 1 159 159 VAL H H 1 9.306 0.05 . 1 . . . . 159 V H . 6515 1 1583 . 1 1 159 159 VAL HA H 1 4.529 0.05 . 1 . . . . 159 V HA . 6515 1 1584 . 1 1 159 159 VAL HB H 1 1.969 0.05 . 1 . . . . 159 V HB . 6515 1 1585 . 1 1 159 159 VAL HG21 H 1 0.831 0.05 . 1 . . . . 159 V HG2 . 6515 1 1586 . 1 1 159 159 VAL HG22 H 1 0.831 0.05 . 1 . . . . 159 V HG2 . 6515 1 1587 . 1 1 159 159 VAL HG23 H 1 0.831 0.05 . 1 . . . . 159 V HG2 . 6515 1 1588 . 1 1 159 159 VAL C C 13 172.753 0.15 . 1 . . . . 159 V C . 6515 1 1589 . 1 1 159 159 VAL CA C 13 60.874 0.15 . 1 . . . . 159 V CA . 6515 1 1590 . 1 1 159 159 VAL CB C 13 35.123 0.15 . 1 . . . . 159 V CB . 6515 1 1591 . 1 1 159 159 VAL CG2 C 13 21.621 0.15 . 1 . . . . 159 V CG2 . 6515 1 1592 . 1 1 159 159 VAL N N 15 121.633 0.10 . 1 . . . . 159 V N . 6515 1 1593 . 1 1 160 160 SER H H 1 8.618 0.05 . 1 . . . . 160 S H . 6515 1 1594 . 1 1 160 160 SER HA H 1 5.864 0.05 . 1 . . . . 160 S HA . 6515 1 1595 . 1 1 160 160 SER HB2 H 1 3.682 0.05 . 2 . . . . 160 S HB2 . 6515 1 1596 . 1 1 160 160 SER HB3 H 1 3.835 0.05 . 2 . . . . 160 S HB3 . 6515 1 1597 . 1 1 160 160 SER C C 13 172.819 0.15 . 1 . . . . 160 S C . 6515 1 1598 . 1 1 160 160 SER CA C 13 57.190 0.15 . 1 . . . . 160 S CA . 6515 1 1599 . 1 1 160 160 SER CB C 13 66.517 0.15 . 1 . . . . 160 S CB . 6515 1 1600 . 1 1 160 160 SER N N 15 120.198 0.10 . 1 . . . . 160 S N . 6515 1 1601 . 1 1 161 161 THR H H 1 8.917 0.05 . 1 . . . . 161 T H . 6515 1 1602 . 1 1 161 161 THR HA H 1 4.134 0.05 . 1 . . . . 161 T HA . 6515 1 1603 . 1 1 161 161 THR HB H 1 4.164 0.05 . 1 . . . . 161 T HB . 6515 1 1604 . 1 1 161 161 THR HG21 H 1 1.232 0.05 . 1 . . . . 161 T HG2 . 6515 1 1605 . 1 1 161 161 THR HG22 H 1 1.232 0.05 . 1 . . . . 161 T HG2 . 6515 1 1606 . 1 1 161 161 THR HG23 H 1 1.232 0.05 . 1 . . . . 161 T HG2 . 6515 1 1607 . 1 1 161 161 THR C C 13 170.025 0.15 . 1 . . . . 161 T C . 6515 1 1608 . 1 1 161 161 THR CA C 13 60.799 0.15 . 1 . . . . 161 T CA . 6515 1 1609 . 1 1 161 161 THR CB C 13 69.783 0.15 . 1 . . . . 161 T CB . 6515 1 1610 . 1 1 161 161 THR CG2 C 13 20.098 0.15 . 1 . . . . 161 T CG2 . 6515 1 1611 . 1 1 161 161 THR N N 15 117.007 0.10 . 1 . . . . 161 T N . 6515 1 1612 . 1 1 162 162 GLN H H 1 8.058 0.05 . 1 . . . . 162 Q H . 6515 1 1613 . 1 1 162 162 GLN HA H 1 4.639 0.05 . 1 . . . . 162 Q HA . 6515 1 1614 . 1 1 162 162 GLN HB2 H 1 2.048 0.05 . 2 . . . . 162 Q HB2 . 6515 1 1615 . 1 1 162 162 GLN HB3 H 1 2.147 0.05 . 2 . . . . 162 Q HB3 . 6515 1 1616 . 1 1 162 162 GLN HG2 H 1 2.233 0.05 . 2 . . . . 162 Q HG2 . 6515 1 1617 . 1 1 162 162 GLN HE21 H 1 7.493 0.05 . 2 . . . . 162 Q HE21 . 6515 1 1618 . 1 1 162 162 GLN HE22 H 1 6.735 0.05 . 2 . . . . 162 Q HE22 . 6515 1 1619 . 1 1 162 162 GLN C C 13 172.608 0.15 . 1 . . . . 162 Q C . 6515 1 1620 . 1 1 162 162 GLN CA C 13 54.114 0.15 . 1 . . . . 162 Q CA . 6515 1 1621 . 1 1 162 162 GLN CB C 13 32.041 0.15 . 1 . . . . 162 Q CB . 6515 1 1622 . 1 1 162 162 GLN CG C 13 32.899 0.15 . 1 . . . . 162 Q CG . 6515 1 1623 . 1 1 162 162 GLN N N 15 120.437 0.10 . 1 . . . . 162 Q N . 6515 1 1624 . 1 1 162 162 GLN NE2 N 15 111.795 0.10 . 1 . . . . 162 Q NE2 . 6515 1 1625 . 1 1 163 163 GLY H H 1 6.793 0.05 . 1 . . . . 163 G H . 6515 1 1626 . 1 1 163 163 GLY HA2 H 1 3.878 0.05 . 2 . . . . 163 G HA2 . 6515 1 1627 . 1 1 163 163 GLY C C 13 170.495 0.15 . 1 . . . . 163 G C . 6515 1 1628 . 1 1 163 163 GLY CA C 13 46.333 0.15 . 1 . . . . 163 G CA . 6515 1 1629 . 1 1 163 163 GLY N N 15 107.255 0.10 . 1 . . . . 163 G N . 6515 1 1630 . 1 1 164 164 GLU H H 1 8.632 0.05 . 1 . . . . 164 E H . 6515 1 1631 . 1 1 164 164 GLU HA H 1 5.613 0.05 . 1 . . . . 164 E HA . 6515 1 1632 . 1 1 164 164 GLU HB3 H 1 1.848 0.05 . 1 . . . . 164 E HB3 . 6515 1 1633 . 1 1 164 164 GLU HG2 H 1 2.128 0.05 . 1 . . . . 164 E HG2 . 6515 1 1634 . 1 1 164 164 GLU C C 13 174.460 0.15 . 1 . . . . 164 E C . 6515 1 1635 . 1 1 164 164 GLU CA C 13 55.144 0.15 . 1 . . . . 164 E CA . 6515 1 1636 . 1 1 164 164 GLU CB C 13 33.660 0.15 . 1 . . . . 164 E CB . 6515 1 1637 . 1 1 164 164 GLU CG C 13 36.336 0.15 . 1 . . . . 164 E CG . 6515 1 1638 . 1 1 164 164 GLU N N 15 124.225 0.10 . 1 . . . . 164 E N . 6515 1 1639 . 1 1 165 165 ILE H H 1 9.137 0.05 . 1 . . . . 165 I H . 6515 1 1640 . 1 1 165 165 ILE HA H 1 4.648 0.05 . 1 . . . . 165 I HA . 6515 1 1641 . 1 1 165 165 ILE HB H 1 1.580 0.05 . 1 . . . . 165 I HB . 6515 1 1642 . 1 1 165 165 ILE HG12 H 1 0.800 0.05 . 2 . . . . 165 I HG12 . 6515 1 1643 . 1 1 165 165 ILE HG13 H 1 1.341 0.05 . 2 . . . . 165 I HG13 . 6515 1 1644 . 1 1 165 165 ILE HG21 H 1 0.375 0.05 . 2 . . . . 165 I HG2 . 6515 1 1645 . 1 1 165 165 ILE HG22 H 1 0.375 0.05 . 2 . . . . 165 I HG2 . 6515 1 1646 . 1 1 165 165 ILE HG23 H 1 0.375 0.05 . 2 . . . . 165 I HG2 . 6515 1 1647 . 1 1 165 165 ILE HD11 H 1 -0.110 0.05 . 2 . . . . 165 I HD1 . 6515 1 1648 . 1 1 165 165 ILE HD12 H 1 -0.110 0.05 . 2 . . . . 165 I HD1 . 6515 1 1649 . 1 1 165 165 ILE HD13 H 1 -0.110 0.05 . 2 . . . . 165 I HD1 . 6515 1 1650 . 1 1 165 165 ILE C C 13 171.961 0.15 . 1 . . . . 165 I C . 6515 1 1651 . 1 1 165 165 ILE CA C 13 59.931 0.15 . 1 . . . . 165 I CA . 6515 1 1652 . 1 1 165 165 ILE CB C 13 42.501 0.15 . 1 . . . . 165 I CB . 6515 1 1653 . 1 1 165 165 ILE CG1 C 13 26.316 0.15 . 1 . . . . 165 I CG1 . 6515 1 1654 . 1 1 165 165 ILE CG2 C 13 17.205 0.15 . 1 . . . . 165 I CG2 . 6515 1 1655 . 1 1 165 165 ILE CD1 C 13 11.957 0.15 . 1 . . . . 165 I CD1 . 6515 1 1656 . 1 1 165 165 ILE N N 15 119.507 0.10 . 1 . . . . 165 I N . 6515 1 1657 . 1 1 166 166 LYS H H 1 8.239 0.05 . 1 . . . . 166 K H . 6515 1 1658 . 1 1 166 166 LYS HA H 1 4.767 0.05 . 1 . . . . 166 K HA . 6515 1 1659 . 1 1 166 166 LYS HB2 H 1 1.633 0.05 . 1 . . . . 166 K HB2 . 6515 1 1660 . 1 1 166 166 LYS HE2 H 1 2.864 0.05 . 2 . . . . 166 K HE2 . 6515 1 1661 . 1 1 166 166 LYS C C 13 176.329 0.15 . 1 . . . . 166 K C . 6515 1 1662 . 1 1 166 166 LYS CA C 13 55.427 0.15 . 1 . . . . 166 K CA . 6515 1 1663 . 1 1 166 166 LYS CB C 13 33.303 0.15 . 1 . . . . 166 K CB . 6515 1 1664 . 1 1 166 166 LYS CG C 13 23.467 0.15 . 1 . . . . 166 K CG . 6515 1 1665 . 1 1 166 166 LYS N N 15 122.634 0.10 . 1 . . . . 166 K N . 6515 1 1666 . 1 1 167 167 LEU H H 1 9.432 0.05 . 1 . . . . 167 L H . 6515 1 1667 . 1 1 167 167 LEU HA H 1 4.777 0.05 . 1 . . . . 167 L HA . 6515 1 1668 . 1 1 167 167 LEU HB2 H 1 1.878 0.05 . 2 . . . . 167 L HB2 . 6515 1 1669 . 1 1 167 167 LEU HB3 H 1 1.751 0.05 . 2 . . . . 167 L HB3 . 6515 1 1670 . 1 1 167 167 LEU HD11 H 1 1.002 0.05 . 2 . . . . 167 L HD1 . 6515 1 1671 . 1 1 167 167 LEU HD12 H 1 1.002 0.05 . 2 . . . . 167 L HD1 . 6515 1 1672 . 1 1 167 167 LEU HD13 H 1 1.002 0.05 . 2 . . . . 167 L HD1 . 6515 1 1673 . 1 1 167 167 LEU CA C 13 51.766 0.15 . 1 . . . . 167 L CA . 6515 1 1674 . 1 1 167 167 LEU CB C 13 41.938 0.15 . 1 . . . . 167 L CB . 6515 1 1675 . 1 1 167 167 LEU N N 15 132.168 0.10 . 1 . . . . 167 L N . 6515 1 1676 . 1 1 168 168 PRO HA H 1 4.257 0.05 . 1 . . . . 168 P HA . 6515 1 1677 . 1 1 168 168 PRO HB2 H 1 1.868 0.05 . 2 . . . . 168 P HB2 . 6515 1 1678 . 1 1 168 168 PRO HG2 H 1 1.643 0.05 . 2 . . . . 168 P HG2 . 6515 1 1679 . 1 1 168 168 PRO C C 13 173.725 0.15 . 1 . . . . 168 P C . 6515 1 1680 . 1 1 168 168 PRO CA C 13 61.408 0.15 . 1 . . . . 168 P CA . 6515 1 1681 . 1 1 168 168 PRO CB C 13 32.017 0.15 . 1 . . . . 168 P CB . 6515 1 1682 . 1 1 168 168 PRO CG C 13 26.836 0.15 . 1 . . . . 168 P CG . 6515 1 1683 . 1 1 169 169 SER H H 1 8.181 0.05 . 1 . . . . 169 S H . 6515 1 1684 . 1 1 169 169 SER HA H 1 3.909 0.05 . 1 . . . . 169 S HA . 6515 1 1685 . 1 1 169 169 SER HB2 H 1 3.684 0.05 . 1 . . . . 169 S HB2 . 6515 1 1686 . 1 1 169 169 SER C C 13 175.442 0.15 . 1 . . . . 169 S C . 6515 1 1687 . 1 1 169 169 SER CA C 13 58.606 0.15 . 1 . . . . 169 S CA . 6515 1 1688 . 1 1 169 169 SER CB C 13 63.996 0.15 . 1 . . . . 169 S CB . 6515 1 1689 . 1 1 169 169 SER N N 15 109.040 0.10 . 1 . . . . 169 S N . 6515 1 1690 . 1 1 170 170 LEU H H 1 8.436 0.05 . 1 . . . . 170 L H . 6515 1 1691 . 1 1 170 170 LEU HA H 1 4.726 0.05 . 1 . . . . 170 L HA . 6515 1 1692 . 1 1 170 170 LEU HB2 H 1 1.920 0.05 . 2 . . . . 170 L HB2 . 6515 1 1693 . 1 1 170 170 LEU HB3 H 1 1.721 0.05 . 2 . . . . 170 L HB3 . 6515 1 1694 . 1 1 170 170 LEU HG H 1 0.738 0.05 . 1 . . . . 170 L HG . 6515 1 1695 . 1 1 170 170 LEU HD11 H 1 0.756 0.05 . 2 . . . . 170 L HD1 . 6515 1 1696 . 1 1 170 170 LEU HD12 H 1 0.756 0.05 . 2 . . . . 170 L HD1 . 6515 1 1697 . 1 1 170 170 LEU HD13 H 1 0.756 0.05 . 2 . . . . 170 L HD1 . 6515 1 1698 . 1 1 170 170 LEU C C 13 176.335 0.15 . 1 . . . . 170 L C . 6515 1 1699 . 1 1 170 170 LEU CA C 13 54.397 0.15 . 1 . . . . 170 L CA . 6515 1 1700 . 1 1 170 170 LEU CB C 13 41.802 0.15 . 1 . . . . 170 L CB . 6515 1 1701 . 1 1 170 170 LEU CG C 13 26.356 0.15 . 1 . . . . 170 L CG . 6515 1 1702 . 1 1 170 170 LEU CD1 C 13 23.510 0.15 . 1 . . . . 170 L CD1 . 6515 1 1703 . 1 1 170 170 LEU N N 15 127.412 0.10 . 1 . . . . 170 L N . 6515 1 1704 . 1 1 171 171 ARG H H 1 7.816 0.05 . 1 . . . . 171 R H . 6515 1 1705 . 1 1 171 171 ARG HA H 1 3.954 0.05 . 1 . . . . 171 R HA . 6515 1 1706 . 1 1 171 171 ARG HB2 H 1 1.740 0.05 . 1 . . . . 171 R HB2 . 6515 1 1707 . 1 1 171 171 ARG HG2 H 1 1.602 0.05 . 2 . . . . 171 R HG2 . 6515 1 1708 . 1 1 171 171 ARG HD2 H 1 3.178 0.05 . 2 . . . . 171 R HD2 . 6515 1 1709 . 1 1 171 171 ARG C C 13 175.775 0.15 . 1 . . . . 171 R C . 6515 1 1710 . 1 1 171 171 ARG CA C 13 58.460 0.15 . 1 . . . . 171 R CA . 6515 1 1711 . 1 1 171 171 ARG CB C 13 30.665 0.15 . 1 . . . . 171 R CB . 6515 1 1712 . 1 1 171 171 ARG CG C 13 26.544 0.15 . 1 . . . . 171 R CG . 6515 1 1713 . 1 1 171 171 ARG CD C 13 43.471 0.15 . 1 . . . . 171 R CD . 6515 1 1714 . 1 1 171 171 ARG N N 15 119.755 0.10 . 1 . . . . 171 R N . 6515 1 1715 . 1 1 172 172 ASP H H 1 8.504 0.05 . 1 . . . . 172 D H . 6515 1 1716 . 1 1 172 172 ASP HA H 1 4.456 0.05 . 1 . . . . 172 D HA . 6515 1 1717 . 1 1 172 172 ASP HB2 H 1 2.071 0.05 . 2 . . . . 172 D HB2 . 6515 1 1718 . 1 1 172 172 ASP HB3 H 1 2.398 0.05 . 2 . . . . 172 D HB3 . 6515 1 1719 . 1 1 172 172 ASP C C 13 174.970 0.15 . 1 . . . . 172 D C . 6515 1 1720 . 1 1 172 172 ASP CA C 13 55.462 0.15 . 1 . . . . 172 D CA . 6515 1 1721 . 1 1 172 172 ASP CB C 13 40.157 0.15 . 1 . . . . 172 D CB . 6515 1 1722 . 1 1 172 172 ASP N N 15 117.602 0.10 . 1 . . . . 172 D N . 6515 1 1723 . 1 1 173 173 PHE H H 1 7.876 0.05 . 1 . . . . 173 F H . 6515 1 1724 . 1 1 173 173 PHE HA H 1 4.474 0.05 . 1 . . . . 173 F HA . 6515 1 1725 . 1 1 173 173 PHE HB2 H 1 2.938 0.05 . 2 . . . . 173 F HB2 . 6515 1 1726 . 1 1 173 173 PHE HB3 H 1 3.144 0.05 . 2 . . . . 173 F HB3 . 6515 1 1727 . 1 1 173 173 PHE HD1 H 1 7.138 0.05 . 4 . . . . 173 F HD1 . 6515 1 1728 . 1 1 173 173 PHE C C 13 173.402 0.15 . 1 . . . . 173 F C . 6515 1 1729 . 1 1 173 173 PHE CA C 13 58.144 0.15 . 1 . . . . 173 F CA . 6515 1 1730 . 1 1 173 173 PHE CB C 13 40.009 0.15 . 1 . . . . 173 F CB . 6515 1 1731 . 1 1 173 173 PHE N N 15 118.482 0.10 . 1 . . . . 173 F N . 6515 1 1732 . 1 1 174 174 PHE H H 1 7.443 0.05 . 1 . . . . 174 F H . 6515 1 1733 . 1 1 174 174 PHE HA H 1 4.407 0.05 . 1 . . . . 174 F HA . 6515 1 1734 . 1 1 174 174 PHE HB2 H 1 3.146 0.05 . 2 . . . . 174 F HB2 . 6515 1 1735 . 1 1 174 174 PHE HB3 H 1 2.938 0.05 . 2 . . . . 174 F HB3 . 6515 1 1736 . 1 1 174 174 PHE HD1 H 1 7.250 0.05 . 4 . . . . 174 F HD1 . 6515 1 1737 . 1 1 174 174 PHE CA C 13 59.407 0.15 . 1 . . . . 174 F CA . 6515 1 1738 . 1 1 174 174 PHE CB C 13 40.445 0.15 . 1 . . . . 174 F CB . 6515 1 1739 . 1 1 174 174 PHE N N 15 125.338 0.10 . 1 . . . . 174 F N . 6515 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 289 6515 1 2 298 6515 1 3 493 6515 1 4 597 6515 1 5 693 6515 1 6 804 6515 1 7 1173 6515 1 8 1319 6515 1 8 1320 6515 1 8 1321 6515 1 8 1322 6515 1 9 1363 6515 1 9 1364 6515 1 10 1723 6515 1 11 1732 6515 1 stop_ save_