data_16956 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16956 _Entry.Title ; NMR assignments of 1H, 13C, 15N resonance in C-terminal subunit from Azotobacter vinelandii mannronan C5-epimerase 6 (AlgE6R3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-26 _Entry.Accession_date 2010-05-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Edith Buchinger . . . 16956 2 Gudmund Skjaak-Braek . . . 16956 3 Svein Valla . . . 16956 4 Reinhard Wimmer . . . 16956 5 Finn Aachmann . L. . 16956 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16956 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 664 16956 '15N chemical shifts' 175 16956 '1H chemical shifts' 1066 16956 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 . . 2011-03-24 2010-05-26 update BMRB 'update entry citation' 16956 1 . . 2010-08-19 2010-05-26 original author 'original release' 16956 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15716 '1H, 15N, 13C resonance assignment of the AlgE6R1 subunit from the Azotobacter vinelandii Mannuronan C5-epimerase' 16956 BMRB 6390 'NMR assignment of the R-module from the Azotobacter vinelandii mannuronan C5-epimerase AlgE4' 16956 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16956 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20711760 _Citation.Full_citation . _Citation.Title 'NMR assignments of (1)H, (13)C and (15)N resonances of the C-terminal subunit from Azotobacter vinelandii mannuronan C5-epimerase 6 (AlgE6R3).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 27 _Citation.Page_last 29 _Citation.Year 2011 _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 Edith Buchinger . . . 16956 1 2 Gudmund Skjak-Braek . . . 16956 1 3 Svein Valla . . . 16956 1 4 Reinhard Wimmer . . . 16956 1 5 Finn Aachmann . L. . 16956 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16956 _Assembly.ID 1 _Assembly.Name AlgE6R3 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18225.5 _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 AlgE6R3 1 $AlgE6R3 A . yes native no no . . . 16956 1 2 'metal ions' 2 $CA A . no native no no . . . 16956 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AlgE6R3 _Entity.Sf_category entity _Entity.Sf_framecode AlgE6R3 _Entity.Entry_ID 16956 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AlgE6R3 _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 ; ADPGVEGTPVVGSDLDDELH GTLGSEQILGGGGADQLYGY AGNDLLDGGAGRDKLSGGEG ADTFRFALREDSHRSPLGTF GDRILDFDPSQDRIDVSALG FSGLGNGYAGSLAVSVSDDG TRTYLKSYEADAQGLSFEVA LEGDHAAALSADNIVFAATD AAAAGELGVIGASGQPDDPT V ; _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 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . 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 . ALA . 16956 1 2 . ASP . 16956 1 3 . PRO . 16956 1 4 . GLY . 16956 1 5 . VAL . 16956 1 6 . GLU . 16956 1 7 . GLY . 16956 1 8 . THR . 16956 1 9 . PRO . 16956 1 10 . VAL . 16956 1 11 . VAL . 16956 1 12 . GLY . 16956 1 13 . SER . 16956 1 14 . ASP . 16956 1 15 . LEU . 16956 1 16 . ASP . 16956 1 17 . ASP . 16956 1 18 . GLU . 16956 1 19 . LEU . 16956 1 20 . HIS . 16956 1 21 . GLY . 16956 1 22 . THR . 16956 1 23 . LEU . 16956 1 24 . GLY . 16956 1 25 . SER . 16956 1 26 . GLU . 16956 1 27 . GLN . 16956 1 28 . ILE . 16956 1 29 . LEU . 16956 1 30 . GLY . 16956 1 31 . GLY . 16956 1 32 . GLY . 16956 1 33 . GLY . 16956 1 34 . ALA . 16956 1 35 . ASP . 16956 1 36 . GLN . 16956 1 37 . LEU . 16956 1 38 . TYR . 16956 1 39 . GLY . 16956 1 40 . TYR . 16956 1 41 . ALA . 16956 1 42 . GLY . 16956 1 43 . ASN . 16956 1 44 . ASP . 16956 1 45 . LEU . 16956 1 46 . LEU . 16956 1 47 . ASP . 16956 1 48 . GLY . 16956 1 49 . GLY . 16956 1 50 . ALA . 16956 1 51 . GLY . 16956 1 52 . ARG . 16956 1 53 . ASP . 16956 1 54 . LYS . 16956 1 55 . LEU . 16956 1 56 . SER . 16956 1 57 . GLY . 16956 1 58 . GLY . 16956 1 59 . GLU . 16956 1 60 . GLY . 16956 1 61 . ALA . 16956 1 62 . ASP . 16956 1 63 . THR . 16956 1 64 . PHE . 16956 1 65 . ARG . 16956 1 66 . PHE . 16956 1 67 . ALA . 16956 1 68 . LEU . 16956 1 69 . ARG . 16956 1 70 . GLU . 16956 1 71 . ASP . 16956 1 72 . SER . 16956 1 73 . HIS . 16956 1 74 . ARG . 16956 1 75 . SER . 16956 1 76 . PRO . 16956 1 77 . LEU . 16956 1 78 . GLY . 16956 1 79 . THR . 16956 1 80 . PHE . 16956 1 81 . GLY . 16956 1 82 . ASP . 16956 1 83 . ARG . 16956 1 84 . ILE . 16956 1 85 . LEU . 16956 1 86 . ASP . 16956 1 87 . PHE . 16956 1 88 . ASP . 16956 1 89 . PRO . 16956 1 90 . SER . 16956 1 91 . GLN . 16956 1 92 . ASP . 16956 1 93 . ARG . 16956 1 94 . ILE . 16956 1 95 . ASP . 16956 1 96 . VAL . 16956 1 97 . SER . 16956 1 98 . ALA . 16956 1 99 . LEU . 16956 1 100 . GLY . 16956 1 101 . PHE . 16956 1 102 . SER . 16956 1 103 . GLY . 16956 1 104 . LEU . 16956 1 105 . GLY . 16956 1 106 . ASN . 16956 1 107 . GLY . 16956 1 108 . TYR . 16956 1 109 . ALA . 16956 1 110 . GLY . 16956 1 111 . SER . 16956 1 112 . LEU . 16956 1 113 . ALA . 16956 1 114 . VAL . 16956 1 115 . SER . 16956 1 116 . VAL . 16956 1 117 . SER . 16956 1 118 . ASP . 16956 1 119 . ASP . 16956 1 120 . GLY . 16956 1 121 . THR . 16956 1 122 . ARG . 16956 1 123 . THR . 16956 1 124 . TYR . 16956 1 125 . LEU . 16956 1 126 . LYS . 16956 1 127 . SER . 16956 1 128 . TYR . 16956 1 129 . GLU . 16956 1 130 . ALA . 16956 1 131 . ASP . 16956 1 132 . ALA . 16956 1 133 . GLN . 16956 1 134 . GLY . 16956 1 135 . LEU . 16956 1 136 . SER . 16956 1 137 . PHE . 16956 1 138 . GLU . 16956 1 139 . VAL . 16956 1 140 . ALA . 16956 1 141 . LEU . 16956 1 142 . GLU . 16956 1 143 . GLY . 16956 1 144 . ASP . 16956 1 145 . HIS . 16956 1 146 . ALA . 16956 1 147 . ALA . 16956 1 148 . ALA . 16956 1 149 . LEU . 16956 1 150 . SER . 16956 1 151 . ALA . 16956 1 152 . ASP . 16956 1 153 . ASN . 16956 1 154 . ILE . 16956 1 155 . VAL . 16956 1 156 . PHE . 16956 1 157 . ALA . 16956 1 158 . ALA . 16956 1 159 . THR . 16956 1 160 . ASP . 16956 1 161 . ALA . 16956 1 162 . ALA . 16956 1 163 . ALA . 16956 1 164 . ALA . 16956 1 165 . GLY . 16956 1 166 . GLU . 16956 1 167 . LEU . 16956 1 168 . GLY . 16956 1 169 . VAL . 16956 1 170 . ILE . 16956 1 171 . GLY . 16956 1 172 . ALA . 16956 1 173 . SER . 16956 1 174 . GLY . 16956 1 175 . GLN . 16956 1 176 . PRO . 16956 1 177 . ASP . 16956 1 178 . ASP . 16956 1 179 . PRO . 16956 1 180 . THR . 16956 1 181 . VAL . 16956 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 . ALA 1 1 16956 1 . ASP 2 2 16956 1 . PRO 3 3 16956 1 . GLY 4 4 16956 1 . VAL 5 5 16956 1 . GLU 6 6 16956 1 . GLY 7 7 16956 1 . THR 8 8 16956 1 . PRO 9 9 16956 1 . VAL 10 10 16956 1 . VAL 11 11 16956 1 . GLY 12 12 16956 1 . SER 13 13 16956 1 . ASP 14 14 16956 1 . LEU 15 15 16956 1 . ASP 16 16 16956 1 . ASP 17 17 16956 1 . GLU 18 18 16956 1 . LEU 19 19 16956 1 . HIS 20 20 16956 1 . GLY 21 21 16956 1 . THR 22 22 16956 1 . LEU 23 23 16956 1 . GLY 24 24 16956 1 . SER 25 25 16956 1 . GLU 26 26 16956 1 . GLN 27 27 16956 1 . ILE 28 28 16956 1 . LEU 29 29 16956 1 . GLY 30 30 16956 1 . GLY 31 31 16956 1 . GLY 32 32 16956 1 . GLY 33 33 16956 1 . ALA 34 34 16956 1 . ASP 35 35 16956 1 . GLN 36 36 16956 1 . LEU 37 37 16956 1 . TYR 38 38 16956 1 . GLY 39 39 16956 1 . TYR 40 40 16956 1 . ALA 41 41 16956 1 . GLY 42 42 16956 1 . ASN 43 43 16956 1 . ASP 44 44 16956 1 . LEU 45 45 16956 1 . LEU 46 46 16956 1 . ASP 47 47 16956 1 . GLY 48 48 16956 1 . GLY 49 49 16956 1 . ALA 50 50 16956 1 . GLY 51 51 16956 1 . ARG 52 52 16956 1 . ASP 53 53 16956 1 . LYS 54 54 16956 1 . LEU 55 55 16956 1 . SER 56 56 16956 1 . GLY 57 57 16956 1 . GLY 58 58 16956 1 . GLU 59 59 16956 1 . GLY 60 60 16956 1 . ALA 61 61 16956 1 . ASP 62 62 16956 1 . THR 63 63 16956 1 . PHE 64 64 16956 1 . ARG 65 65 16956 1 . PHE 66 66 16956 1 . ALA 67 67 16956 1 . LEU 68 68 16956 1 . ARG 69 69 16956 1 . GLU 70 70 16956 1 . ASP 71 71 16956 1 . SER 72 72 16956 1 . HIS 73 73 16956 1 . ARG 74 74 16956 1 . SER 75 75 16956 1 . PRO 76 76 16956 1 . LEU 77 77 16956 1 . GLY 78 78 16956 1 . THR 79 79 16956 1 . PHE 80 80 16956 1 . GLY 81 81 16956 1 . ASP 82 82 16956 1 . ARG 83 83 16956 1 . ILE 84 84 16956 1 . LEU 85 85 16956 1 . ASP 86 86 16956 1 . PHE 87 87 16956 1 . ASP 88 88 16956 1 . PRO 89 89 16956 1 . SER 90 90 16956 1 . GLN 91 91 16956 1 . ASP 92 92 16956 1 . ARG 93 93 16956 1 . ILE 94 94 16956 1 . ASP 95 95 16956 1 . VAL 96 96 16956 1 . SER 97 97 16956 1 . ALA 98 98 16956 1 . LEU 99 99 16956 1 . GLY 100 100 16956 1 . PHE 101 101 16956 1 . SER 102 102 16956 1 . GLY 103 103 16956 1 . LEU 104 104 16956 1 . GLY 105 105 16956 1 . ASN 106 106 16956 1 . GLY 107 107 16956 1 . TYR 108 108 16956 1 . ALA 109 109 16956 1 . GLY 110 110 16956 1 . SER 111 111 16956 1 . LEU 112 112 16956 1 . ALA 113 113 16956 1 . VAL 114 114 16956 1 . SER 115 115 16956 1 . VAL 116 116 16956 1 . SER 117 117 16956 1 . ASP 118 118 16956 1 . ASP 119 119 16956 1 . GLY 120 120 16956 1 . THR 121 121 16956 1 . ARG 122 122 16956 1 . THR 123 123 16956 1 . TYR 124 124 16956 1 . LEU 125 125 16956 1 . LYS 126 126 16956 1 . SER 127 127 16956 1 . TYR 128 128 16956 1 . GLU 129 129 16956 1 . ALA 130 130 16956 1 . ASP 131 131 16956 1 . ALA 132 132 16956 1 . GLN 133 133 16956 1 . GLY 134 134 16956 1 . LEU 135 135 16956 1 . SER 136 136 16956 1 . PHE 137 137 16956 1 . GLU 138 138 16956 1 . VAL 139 139 16956 1 . ALA 140 140 16956 1 . LEU 141 141 16956 1 . GLU 142 142 16956 1 . GLY 143 143 16956 1 . ASP 144 144 16956 1 . HIS 145 145 16956 1 . ALA 146 146 16956 1 . ALA 147 147 16956 1 . ALA 148 148 16956 1 . LEU 149 149 16956 1 . SER 150 150 16956 1 . ALA 151 151 16956 1 . ASP 152 152 16956 1 . ASN 153 153 16956 1 . ILE 154 154 16956 1 . VAL 155 155 16956 1 . PHE 156 156 16956 1 . ALA 157 157 16956 1 . ALA 158 158 16956 1 . THR 159 159 16956 1 . ASP 160 160 16956 1 . ALA 161 161 16956 1 . ALA 162 162 16956 1 . ALA 163 163 16956 1 . ALA 164 164 16956 1 . GLY 165 165 16956 1 . GLU 166 166 16956 1 . LEU 167 167 16956 1 . GLY 168 168 16956 1 . VAL 169 169 16956 1 . ILE 170 170 16956 1 . GLY 171 171 16956 1 . ALA 172 172 16956 1 . SER 173 173 16956 1 . GLY 174 174 16956 1 . GLN 175 175 16956 1 . PRO 176 176 16956 1 . ASP 177 177 16956 1 . ASP 178 178 16956 1 . PRO 179 179 16956 1 . THR 180 180 16956 1 . VAL 181 181 16956 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 16956 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . CA . 16956 2 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 16956 _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 $AlgE6R3 . 354 organism . 'Azotobacter vinelandii' 'A. vinelandii' . . Bacteria . Azotobacter vinelandii . . . . . . . . . . . . . . . . . . . . . 16956 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 16956 _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 $AlgE6R3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'ER 2566' . . . . . . . . . . . . . . . pFA13 . . . . . . 16956 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 16956 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYAP InChIKey InChI 1.02b 16956 CA [Ca++] SMILES CACTVS 3.341 16956 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16956 CA [Ca+2] SMILES ACDLabs 10.04 16956 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16956 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16956 CA InChI=1/Ca/q+2 InChI InChI 1.02b 16956 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16956 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16956 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 16956 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16956 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AlgE6R3 '[U-13C; U-15N]' . . 1 $AlgE6R3 . . 0.15 . . mM . . . . 16956 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16956 1 3 CaCl2 'natural abundance' . . 2 $CA . . 25 . . mM . . . . 16956 1 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 16956 1 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 16956 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16956 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AlgE6R3 '[U-13C; U-15N]' . . 1 $AlgE6R3 . . 0,15 . . mM . . . . 16956 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 16956 2 3 CaCl2 'natural abundance' . . 2 $CA . . 25 . . mM . . . . 16956 2 4 D20 'natural abundance' . . . . . . 100 . . % . . . . 16956 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16956 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AlgE6R3 '[U-13C; U-15N]' . . 1 $AlgE6R3 . . 0,15 . . mM . . . . 16956 3 2 HEPES [U-2H] . . . . . . 20 . . mM . . . . 16956 3 3 CaCl2 'natural abundance' . . 2 $CA . . 25 . . mM . . . . 16956 3 4 D20 'natural abundance' . . . . . . 100 . . % . . . . 16956 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16956 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 16956 1 pressure 1 . atm 16956 1 temperature 298 . K 16956 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16956 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16956 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16956 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16956 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16956 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16956 2 processing 16956 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16956 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16956 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16956 3 collection 16956 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16956 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16956 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16956 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16956 1 2 spectrometer_2 Bruker DRX . 600 . . . 16956 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16956 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 12 '3D HNHAHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16956 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16956 _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 carbon' . . . . ppm 0 internal direct 1 . . . . . . . . . 16956 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16956 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . . . . . 16956 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16956 1 2 '2D 1H-13C HSQC' . . . 16956 1 3 '3D CBCA(CO)NH' . . . 16956 1 4 '3D HNCO' . . . 16956 1 5 '3D HNCA' . . . 16956 1 6 '3D HNCACB' . . . 16956 1 7 '3D HBHA(CO)NH' . . . 16956 1 8 '3D HN(CO)CA' . . . 16956 1 9 '3D HCCH-TOCSY' . . . 16956 1 10 '3D HCCH-COSY' . . . 16956 1 11 '3D HN(CA)CO' . . . 16956 1 12 '3D HNHAHB' . . . 16956 1 13 '2D 1H-1H NOESY' . . . 16956 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 16956 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 3 3 PRO HA H 1 4.46 0.02 . 1 . . . . 3 PRO HA . 16956 1 2 . 1 1 3 3 PRO HB2 H 1 2.33 0.02 . 2 . . . . 3 PRO HB2 . 16956 1 3 . 1 1 3 3 PRO HB3 H 1 1.99 0.02 . 2 . . . . 3 PRO HB3 . 16956 1 4 . 1 1 3 3 PRO HD2 H 1 3.82 0.02 . 2 . . . . 3 PRO HD2 . 16956 1 5 . 1 1 3 3 PRO HD3 H 1 3.70 0.02 . 2 . . . . 3 PRO HD3 . 16956 1 6 . 1 1 3 3 PRO HG2 H 1 2.05 0.02 . 2 . . . . 3 PRO HG2 . 16956 1 7 . 1 1 3 3 PRO HG3 H 1 2.08 0.02 . 2 . . . . 3 PRO HG3 . 16956 1 8 . 1 1 3 3 PRO C C 13 177.5 0.3 . 1 . . . . 3 PRO C . 16956 1 9 . 1 1 3 3 PRO CA C 13 63.8 0.3 . 1 . . . . 3 PRO CA . 16956 1 10 . 1 1 3 3 PRO CB C 13 31.8 0.3 . 1 . . . . 3 PRO CB . 16956 1 11 . 1 1 3 3 PRO CD C 13 50.7 0.3 . 1 . . . . 3 PRO CD . 16956 1 12 . 1 1 3 3 PRO CG C 13 26.8 0.3 . 1 . . . . 3 PRO CG . 16956 1 13 . 1 1 4 4 GLY H H 1 8.62 0.02 . 1 . . . . 4 GLY H . 16956 1 14 . 1 1 4 4 GLY HA2 H 1 4.01 0.02 . 2 . . . . 4 GLY HA2 . 16956 1 15 . 1 1 4 4 GLY HA3 H 1 3.91 0.02 . 2 . . . . 4 GLY HA3 . 16956 1 16 . 1 1 4 4 GLY C C 13 174.0 0.3 . 1 . . . . 4 GLY C . 16956 1 17 . 1 1 4 4 GLY CA C 13 45.4 0.3 . 1 . . . . 4 GLY CA . 16956 1 18 . 1 1 4 4 GLY N N 15 109.6 0.3 . 1 . . . . 4 GLY N . 16956 1 19 . 1 1 5 5 VAL H H 1 7.93 0.02 . 1 . . . . 5 VAL H . 16956 1 20 . 1 1 5 5 VAL HA H 1 4.17 0.02 . 1 . . . . 5 VAL HA . 16956 1 21 . 1 1 5 5 VAL HB H 1 2.12 0.02 . 1 . . . . 5 VAL HB . 16956 1 22 . 1 1 5 5 VAL HG11 H 1 0.94 0.02 . 1 . . . . 5 VAL HG1 . 16956 1 23 . 1 1 5 5 VAL HG12 H 1 0.94 0.02 . 1 . . . . 5 VAL HG1 . 16956 1 24 . 1 1 5 5 VAL HG13 H 1 0.94 0.02 . 1 . . . . 5 VAL HG1 . 16956 1 25 . 1 1 5 5 VAL HG21 H 1 0.91 0.02 . 1 . . . . 5 VAL HG2 . 16956 1 26 . 1 1 5 5 VAL HG22 H 1 0.91 0.02 . 1 . . . . 5 VAL HG2 . 16956 1 27 . 1 1 5 5 VAL HG23 H 1 0.91 0.02 . 1 . . . . 5 VAL HG2 . 16956 1 28 . 1 1 5 5 VAL C C 13 176.0 0.3 . 1 . . . . 5 VAL C . 16956 1 29 . 1 1 5 5 VAL CA C 13 62.2 0.3 . 1 . . . . 5 VAL CA . 16956 1 30 . 1 1 5 5 VAL CB C 13 32.7 0.3 . 1 . . . . 5 VAL CB . 16956 1 31 . 1 1 5 5 VAL CG1 C 13 20.4 0.3 . 1 . . . . 5 VAL CG1 . 16956 1 32 . 1 1 5 5 VAL CG2 C 13 20.4 0.3 . 1 . . . . 5 VAL CG2 . 16956 1 33 . 1 1 5 5 VAL N N 15 119.8 0.3 . 1 . . . . 5 VAL N . 16956 1 34 . 1 1 6 6 GLU H H 1 8.62 0.02 . 1 . . . . 6 GLU H . 16956 1 35 . 1 1 6 6 GLU HA H 1 4.46 0.02 . 1 . . . . 6 GLU HA . 16956 1 36 . 1 1 6 6 GLU HB2 H 1 2.09 0.02 . 2 . . . . 6 GLU HB2 . 16956 1 37 . 1 1 6 6 GLU HB3 H 1 1.99 0.02 . 2 . . . . 6 GLU HB3 . 16956 1 38 . 1 1 6 6 GLU HG2 H 1 2.35 0.02 . 2 . . . . 6 GLU HG2 . 16956 1 39 . 1 1 6 6 GLU HG3 H 1 2.29 0.02 . 2 . . . . 6 GLU HG3 . 16956 1 40 . 1 1 6 6 GLU C C 13 177.0 0.3 . 1 . . . . 6 GLU C . 16956 1 41 . 1 1 6 6 GLU CA C 13 56.5 0.3 . 1 . . . . 6 GLU CA . 16956 1 42 . 1 1 6 6 GLU CB C 13 30.5 0.3 . 1 . . . . 6 GLU CB . 16956 1 43 . 1 1 6 6 GLU CG C 13 35.9 0.3 . 1 . . . . 6 GLU CG . 16956 1 44 . 1 1 6 6 GLU N N 15 126.1 0.3 . 1 . . . . 6 GLU N . 16956 1 45 . 1 1 7 7 GLY H H 1 8.68 0.02 . 1 . . . . 7 GLY H . 16956 1 46 . 1 1 7 7 GLY HA2 H 1 4.37 0.02 . 2 . . . . 7 GLY HA2 . 16956 1 47 . 1 1 7 7 GLY HA3 H 1 3.85 0.02 . 2 . . . . 7 GLY HA3 . 16956 1 48 . 1 1 7 7 GLY C C 13 173.9 0.3 . 1 . . . . 7 GLY C . 16956 1 49 . 1 1 7 7 GLY CA C 13 44.4 0.3 . 1 . . . . 7 GLY CA . 16956 1 50 . 1 1 7 7 GLY N N 15 111.4 0.3 . 1 . . . . 7 GLY N . 16956 1 51 . 1 1 8 8 THR H H 1 8.31 0.02 . 1 . . . . 8 THR H . 16956 1 52 . 1 1 8 8 THR HA H 1 4.51 0.02 . 1 . . . . 8 THR HA . 16956 1 53 . 1 1 8 8 THR HB H 1 4.12 0.02 . 1 . . . . 8 THR HB . 16956 1 54 . 1 1 8 8 THR HG21 H 1 1.40 0.02 . 1 . . . . 8 THR HG2 . 16956 1 55 . 1 1 8 8 THR HG22 H 1 1.40 0.02 . 1 . . . . 8 THR HG2 . 16956 1 56 . 1 1 8 8 THR HG23 H 1 1.40 0.02 . 1 . . . . 8 THR HG2 . 16956 1 57 . 1 1 8 8 THR C C 13 172.2 0.3 . 1 . . . . 8 THR C . 16956 1 58 . 1 1 8 8 THR CA C 13 60.7 0.3 . 1 . . . . 8 THR CA . 16956 1 59 . 1 1 8 8 THR CB C 13 69.6 0.3 . 1 . . . . 8 THR CB . 16956 1 60 . 1 1 8 8 THR CG2 C 13 21.9 0.3 . 1 . . . . 8 THR CG2 . 16956 1 61 . 1 1 8 8 THR N N 15 119.3 0.3 . 1 . . . . 8 THR N . 16956 1 62 . 1 1 9 9 PRO HA H 1 4.45 0.02 . 1 . . . . 9 PRO HA . 16956 1 63 . 1 1 9 9 PRO HB2 H 1 2.32 0.02 . 2 . . . . 9 PRO HB2 . 16956 1 64 . 1 1 9 9 PRO HB3 H 1 1.94 0.02 . 2 . . . . 9 PRO HB3 . 16956 1 65 . 1 1 9 9 PRO HD2 H 1 3.88 0.02 . 2 . . . . 9 PRO HD2 . 16956 1 66 . 1 1 9 9 PRO HD3 H 1 3.81 0.02 . 2 . . . . 9 PRO HD3 . 16956 1 67 . 1 1 9 9 PRO HG2 H 1 2.08 0.02 . 2 . . . . 9 PRO HG2 . 16956 1 68 . 1 1 9 9 PRO HG3 H 1 2.04 0.02 . 2 . . . . 9 PRO HG3 . 16956 1 69 . 1 1 9 9 PRO C C 13 176.7 0.3 . 1 . . . . 9 PRO C . 16956 1 70 . 1 1 9 9 PRO CA C 13 63.3 0.3 . 1 . . . . 9 PRO CA . 16956 1 71 . 1 1 9 9 PRO CB C 13 31.9 0.3 . 1 . . . . 9 PRO CB . 16956 1 72 . 1 1 9 9 PRO CD C 13 50.7 0.3 . 1 . . . . 9 PRO CD . 16956 1 73 . 1 1 9 9 PRO CG C 13 27.2 0.3 . 1 . . . . 9 PRO CG . 16956 1 74 . 1 1 10 10 VAL H H 1 8.41 0.02 . 1 . . . . 10 VAL H . 16956 1 75 . 1 1 10 10 VAL HA H 1 4.11 0.02 . 1 . . . . 10 VAL HA . 16956 1 76 . 1 1 10 10 VAL HB H 1 2.05 0.02 . 1 . . . . 10 VAL HB . 16956 1 77 . 1 1 10 10 VAL HG11 H 1 0.95 0.02 . 1 . . . . 10 VAL HG1 . 16956 1 78 . 1 1 10 10 VAL HG12 H 1 0.95 0.02 . 1 . . . . 10 VAL HG1 . 16956 1 79 . 1 1 10 10 VAL HG13 H 1 0.95 0.02 . 1 . . . . 10 VAL HG1 . 16956 1 80 . 1 1 10 10 VAL HG21 H 1 0.92 0.02 . 1 . . . . 10 VAL HG2 . 16956 1 81 . 1 1 10 10 VAL HG22 H 1 0.92 0.02 . 1 . . . . 10 VAL HG2 . 16956 1 82 . 1 1 10 10 VAL HG23 H 1 0.92 0.02 . 1 . . . . 10 VAL HG2 . 16956 1 83 . 1 1 10 10 VAL C C 13 176.3 0.3 . 1 . . . . 10 VAL C . 16956 1 84 . 1 1 10 10 VAL CA C 13 62.5 0.3 . 1 . . . . 10 VAL CA . 16956 1 85 . 1 1 10 10 VAL CB C 13 32.3 0.3 . 1 . . . . 10 VAL CB . 16956 1 86 . 1 1 10 10 VAL CG1 C 13 20.4 0.3 . 1 . . . . 10 VAL CG1 . 16956 1 87 . 1 1 10 10 VAL CG2 C 13 20.8 0.3 . 1 . . . . 10 VAL CG2 . 16956 1 88 . 1 1 10 10 VAL N N 15 122.3 0.3 . 1 . . . . 10 VAL N . 16956 1 89 . 1 1 11 11 VAL H H 1 8.38 0.02 . 1 . . . . 11 VAL H . 16956 1 90 . 1 1 11 11 VAL HA H 1 4.15 0.02 . 1 . . . . 11 VAL HA . 16956 1 91 . 1 1 11 11 VAL HB H 1 2.06 0.02 . 1 . . . . 11 VAL HB . 16956 1 92 . 1 1 11 11 VAL HG11 H 1 0.93 0.02 . 1 . . . . 11 VAL HG1 . 16956 1 93 . 1 1 11 11 VAL HG12 H 1 0.93 0.02 . 1 . . . . 11 VAL HG1 . 16956 1 94 . 1 1 11 11 VAL HG13 H 1 0.93 0.02 . 1 . . . . 11 VAL HG1 . 16956 1 95 . 1 1 11 11 VAL HG21 H 1 0.95 0.02 . 1 . . . . 11 VAL HG2 . 16956 1 96 . 1 1 11 11 VAL HG22 H 1 0.95 0.02 . 1 . . . . 11 VAL HG2 . 16956 1 97 . 1 1 11 11 VAL HG23 H 1 0.95 0.02 . 1 . . . . 11 VAL HG2 . 16956 1 98 . 1 1 11 11 VAL C C 13 176.5 0.3 . 1 . . . . 11 VAL C . 16956 1 99 . 1 1 11 11 VAL CA C 13 62.6 0.3 . 1 . . . . 11 VAL CA . 16956 1 100 . 1 1 11 11 VAL CB C 13 32.6 0.3 . 1 . . . . 11 VAL CB . 16956 1 101 . 1 1 11 11 VAL CG1 C 13 20.4 0.3 . 1 . . . . 11 VAL CG1 . 16956 1 102 . 1 1 11 11 VAL CG2 C 13 21.1 0.3 . 1 . . . . 11 VAL CG2 . 16956 1 103 . 1 1 11 11 VAL N N 15 125.8 0.3 . 1 . . . . 11 VAL N . 16956 1 104 . 1 1 12 12 GLY H H 1 8.64 0.02 . 1 . . . . 12 GLY H . 16956 1 105 . 1 1 12 12 GLY HA2 H 1 4.08 0.02 . 2 . . . . 12 GLY HA2 . 16956 1 106 . 1 1 12 12 GLY HA3 H 1 3.98 0.02 . 2 . . . . 12 GLY HA3 . 16956 1 107 . 1 1 12 12 GLY C C 13 174.0 0.3 . 1 . . . . 12 GLY C . 16956 1 108 . 1 1 12 12 GLY CA C 13 45.3 0.3 . 1 . . . . 12 GLY CA . 16956 1 109 . 1 1 12 12 GLY N N 15 114.0 0.3 . 1 . . . . 12 GLY N . 16956 1 110 . 1 1 13 13 SER H H 1 8.27 0.02 . 1 . . . . 13 SER H . 16956 1 111 . 1 1 13 13 SER HA H 1 4.45 0.02 . 1 . . . . 13 SER HA . 16956 1 112 . 1 1 13 13 SER HB2 H 1 3.93 0.02 . 2 . . . . 13 SER HB2 . 16956 1 113 . 1 1 13 13 SER HB3 H 1 3.86 0.02 . 2 . . . . 13 SER HB3 . 16956 1 114 . 1 1 13 13 SER C C 13 174.3 0.3 . 1 . . . . 13 SER C . 16956 1 115 . 1 1 13 13 SER CA C 13 58.8 0.3 . 1 . . . . 13 SER CA . 16956 1 116 . 1 1 13 13 SER CB C 13 63.9 0.3 . 1 . . . . 13 SER CB . 16956 1 117 . 1 1 13 13 SER N N 15 116.2 0.3 . 1 . . . . 13 SER N . 16956 1 118 . 1 1 14 14 ASP HA H 1 4.47 0.02 . 1 . . . . 14 ASP HA . 16956 1 119 . 1 1 14 14 ASP HB2 H 1 2.88 0.02 . 2 . . . . 14 ASP HB2 . 16956 1 120 . 1 1 14 14 ASP HB3 H 1 2.59 0.02 . 2 . . . . 14 ASP HB3 . 16956 1 121 . 1 1 14 14 ASP C C 13 171.1 0.3 . 1 . . . . 14 ASP C . 16956 1 122 . 1 1 14 14 ASP CA C 13 56.4 0.3 . 1 . . . . 14 ASP CA . 16956 1 123 . 1 1 14 14 ASP CB C 13 39.9 0.3 . 1 . . . . 14 ASP CB . 16956 1 124 . 1 1 15 15 LEU H H 1 8.02 0.02 . 1 . . . . 15 LEU H . 16956 1 125 . 1 1 15 15 LEU HA H 1 4.47 0.02 . 1 . . . . 15 LEU HA . 16956 1 126 . 1 1 15 15 LEU HB2 H 1 1.66 0.02 . 2 . . . . 15 LEU HB2 . 16956 1 127 . 1 1 15 15 LEU HB3 H 1 1.60 0.02 . 2 . . . . 15 LEU HB3 . 16956 1 128 . 1 1 15 15 LEU HD11 H 1 0.93 0.02 . 1 . . . . 15 LEU HD1 . 16956 1 129 . 1 1 15 15 LEU HD12 H 1 0.93 0.02 . 1 . . . . 15 LEU HD1 . 16956 1 130 . 1 1 15 15 LEU HD13 H 1 0.93 0.02 . 1 . . . . 15 LEU HD1 . 16956 1 131 . 1 1 15 15 LEU HD21 H 1 0.88 0.02 . 1 . . . . 15 LEU HD2 . 16956 1 132 . 1 1 15 15 LEU HD22 H 1 0.88 0.02 . 1 . . . . 15 LEU HD2 . 16956 1 133 . 1 1 15 15 LEU HD23 H 1 0.88 0.02 . 1 . . . . 15 LEU HD2 . 16956 1 134 . 1 1 15 15 LEU HG H 1 1.63 0.02 . 1 . . . . 15 LEU HG . 16956 1 135 . 1 1 15 15 LEU C C 13 176.0 0.3 . 1 . . . . 15 LEU C . 16956 1 136 . 1 1 15 15 LEU CA C 13 53.2 0.3 . 1 . . . . 15 LEU CA . 16956 1 137 . 1 1 15 15 LEU CB C 13 42.1 0.3 . 1 . . . . 15 LEU CB . 16956 1 138 . 1 1 15 15 LEU CD1 C 13 25.0 0.3 . 1 . . . . 15 LEU CD1 . 16956 1 139 . 1 1 15 15 LEU CD2 C 13 23.6 0.3 . 1 . . . . 15 LEU CD2 . 16956 1 140 . 1 1 15 15 LEU CG C 13 26.9 0.3 . 1 . . . . 15 LEU CG . 16956 1 141 . 1 1 15 15 LEU N N 15 118.1 0.3 . 1 . . . . 15 LEU N . 16956 1 142 . 1 1 16 16 ASP H H 1 8.41 0.02 . 1 . . . . 16 ASP H . 16956 1 143 . 1 1 16 16 ASP HA H 1 4.10 0.02 . 1 . . . . 16 ASP HA . 16956 1 144 . 1 1 16 16 ASP HB2 H 1 2.87 0.02 . 2 . . . . 16 ASP HB2 . 16956 1 145 . 1 1 16 16 ASP HB3 H 1 2.77 0.02 . 2 . . . . 16 ASP HB3 . 16956 1 146 . 1 1 16 16 ASP C C 13 174.9 0.3 . 1 . . . . 16 ASP C . 16956 1 147 . 1 1 16 16 ASP CA C 13 55.3 0.3 . 1 . . . . 16 ASP CA . 16956 1 148 . 1 1 16 16 ASP CB C 13 39.7 0.3 . 1 . . . . 16 ASP CB . 16956 1 149 . 1 1 16 16 ASP N N 15 125.2 0.3 . 1 . . . . 16 ASP N . 16956 1 150 . 1 1 17 17 ASP H H 1 9.72 0.02 . 1 . . . . 17 ASP H . 16956 1 151 . 1 1 17 17 ASP HA H 1 5.15 0.02 . 1 . . . . 17 ASP HA . 16956 1 152 . 1 1 17 17 ASP HB2 H 1 2.73 0.02 . 2 . . . . 17 ASP HB2 . 16956 1 153 . 1 1 17 17 ASP HB3 H 1 2.65 0.02 . 2 . . . . 17 ASP HB3 . 16956 1 154 . 1 1 17 17 ASP C C 13 175.2 0.3 . 1 . . . . 17 ASP C . 16956 1 155 . 1 1 17 17 ASP CA C 13 54.0 0.3 . 1 . . . . 17 ASP CA . 16956 1 156 . 1 1 17 17 ASP CB C 13 46.1 0.3 . 1 . . . . 17 ASP CB . 16956 1 157 . 1 1 17 17 ASP N N 15 125.5 0.3 . 1 . . . . 17 ASP N . 16956 1 158 . 1 1 18 18 GLU H H 1 9.01 0.02 . 1 . . . . 18 GLU H . 16956 1 159 . 1 1 18 18 GLU HA H 1 5.00 0.02 . 1 . . . . 18 GLU HA . 16956 1 160 . 1 1 18 18 GLU HB2 H 1 2.18 0.02 . 2 . . . . 18 GLU HB2 . 16956 1 161 . 1 1 18 18 GLU HB3 H 1 2.14 0.02 . 2 . . . . 18 GLU HB3 . 16956 1 162 . 1 1 18 18 GLU HG2 H 1 2.37 0.02 . 2 . . . . 18 GLU HG2 . 16956 1 163 . 1 1 18 18 GLU HG3 H 1 2.36 0.02 . 2 . . . . 18 GLU HG3 . 16956 1 164 . 1 1 18 18 GLU C C 13 174.4 0.3 . 1 . . . . 18 GLU C . 16956 1 165 . 1 1 18 18 GLU CA C 13 56.0 0.3 . 1 . . . . 18 GLU CA . 16956 1 166 . 1 1 18 18 GLU CB C 13 30.5 0.3 . 1 . . . . 18 GLU CB . 16956 1 167 . 1 1 18 18 GLU CG C 13 36.4 0.3 . 1 . . . . 18 GLU CG . 16956 1 168 . 1 1 18 18 GLU N N 15 124.8 0.3 . 1 . . . . 18 GLU N . 16956 1 169 . 1 1 19 19 LEU H H 1 9.09 0.02 . 1 . . . . 19 LEU H . 16956 1 170 . 1 1 19 19 LEU HA H 1 4.78 0.02 . 1 . . . . 19 LEU HA . 16956 1 171 . 1 1 19 19 LEU HB2 H 1 1.73 0.02 . 2 . . . . 19 LEU HB2 . 16956 1 172 . 1 1 19 19 LEU HB3 H 1 1.14 0.02 . 2 . . . . 19 LEU HB3 . 16956 1 173 . 1 1 19 19 LEU HD11 H 1 0.78 0.02 . 1 . . . . 19 LEU HD1 . 16956 1 174 . 1 1 19 19 LEU HD12 H 1 0.78 0.02 . 1 . . . . 19 LEU HD1 . 16956 1 175 . 1 1 19 19 LEU HD13 H 1 0.78 0.02 . 1 . . . . 19 LEU HD1 . 16956 1 176 . 1 1 19 19 LEU HD21 H 1 0.76 0.02 . 1 . . . . 19 LEU HD2 . 16956 1 177 . 1 1 19 19 LEU HD22 H 1 0.76 0.02 . 1 . . . . 19 LEU HD2 . 16956 1 178 . 1 1 19 19 LEU HD23 H 1 0.76 0.02 . 1 . . . . 19 LEU HD2 . 16956 1 179 . 1 1 19 19 LEU HG H 1 1.43 0.02 . 1 . . . . 19 LEU HG . 16956 1 180 . 1 1 19 19 LEU C C 13 173.8 0.3 . 1 . . . . 19 LEU C . 16956 1 181 . 1 1 19 19 LEU CA C 13 53.4 0.3 . 1 . . . . 19 LEU CA . 16956 1 182 . 1 1 19 19 LEU CB C 13 43.6 0.3 . 1 . . . . 19 LEU CB . 16956 1 183 . 1 1 19 19 LEU CD1 C 13 23.3 0.3 . 1 . . . . 19 LEU CD1 . 16956 1 184 . 1 1 19 19 LEU CD2 C 13 26.9 0.3 . 1 . . . . 19 LEU CD2 . 16956 1 185 . 1 1 19 19 LEU CG C 13 26.6 0.3 . 1 . . . . 19 LEU CG . 16956 1 186 . 1 1 19 19 LEU N N 15 126.3 0.3 . 1 . . . . 19 LEU N . 16956 1 187 . 1 1 20 20 HIS H H 1 8.95 0.02 . 1 . . . . 20 HIS H . 16956 1 188 . 1 1 20 20 HIS HA H 1 5.07 0.02 . 1 . . . . 20 HIS HA . 16956 1 189 . 1 1 20 20 HIS HB2 H 1 3.35 0.02 . 2 . . . . 20 HIS HB2 . 16956 1 190 . 1 1 20 20 HIS HB3 H 1 3.19 0.02 . 2 . . . . 20 HIS HB3 . 16956 1 191 . 1 1 20 20 HIS HD2 H 1 7.05 0.02 . 1 . . . . 20 HIS HD2 . 16956 1 192 . 1 1 20 20 HIS HE1 H 1 7.13 0.02 . 1 . . . . 20 HIS HE1 . 16956 1 193 . 1 1 20 20 HIS C C 13 175.5 0.3 . 1 . . . . 20 HIS C . 16956 1 194 . 1 1 20 20 HIS CA C 13 55.9 0.3 . 1 . . . . 20 HIS CA . 16956 1 195 . 1 1 20 20 HIS CB C 13 33.6 0.3 . 1 . . . . 20 HIS CB . 16956 1 196 . 1 1 20 20 HIS CD2 C 13 117.6 0.3 . 1 . . . . 20 HIS CD2 . 16956 1 197 . 1 1 20 20 HIS CE1 C 13 138.5 0.3 . 1 . . . . 20 HIS CE1 . 16956 1 198 . 1 1 20 20 HIS N N 15 123.9 0.3 . 1 . . . . 20 HIS N . 16956 1 199 . 1 1 21 21 GLY H H 1 9.37 0.02 . 1 . . . . 21 GLY H . 16956 1 200 . 1 1 21 21 GLY HA2 H 1 4.30 0.02 . 2 . . . . 21 GLY HA2 . 16956 1 201 . 1 1 21 21 GLY HA3 H 1 3.93 0.02 . 2 . . . . 21 GLY HA3 . 16956 1 202 . 1 1 21 21 GLY C C 13 171.4 0.3 . 1 . . . . 21 GLY C . 16956 1 203 . 1 1 21 21 GLY CA C 13 43.0 0.3 . 1 . . . . 21 GLY CA . 16956 1 204 . 1 1 21 21 GLY N N 15 109.9 0.3 . 1 . . . . 21 GLY N . 16956 1 205 . 1 1 22 22 THR H H 1 10.09 0.02 . 1 . . . . 22 THR H . 16956 1 206 . 1 1 22 22 THR HA H 1 4.99 0.02 . 1 . . . . 22 THR HA . 16956 1 207 . 1 1 22 22 THR HB H 1 4.51 0.02 . 1 . . . . 22 THR HB . 16956 1 208 . 1 1 22 22 THR HG21 H 1 1.18 0.02 . 1 . . . . 22 THR HG2 . 16956 1 209 . 1 1 22 22 THR HG22 H 1 1.18 0.02 . 1 . . . . 22 THR HG2 . 16956 1 210 . 1 1 22 22 THR HG23 H 1 1.18 0.02 . 1 . . . . 22 THR HG2 . 16956 1 211 . 1 1 22 22 THR C C 13 175.5 0.3 . 1 . . . . 22 THR C . 16956 1 212 . 1 1 22 22 THR CA C 13 60.0 0.3 . 1 . . . . 22 THR CA . 16956 1 213 . 1 1 22 22 THR CB C 13 73.9 0.3 . 1 . . . . 22 THR CB . 16956 1 214 . 1 1 22 22 THR CG2 C 13 20.5 0.3 . 1 . . . . 22 THR CG2 . 16956 1 215 . 1 1 22 22 THR N N 15 112.2 0.3 . 1 . . . . 22 THR N . 16956 1 216 . 1 1 23 23 LEU H H 1 8.70 0.02 . 1 . . . . 23 LEU H . 16956 1 217 . 1 1 23 23 LEU HA H 1 4.26 0.02 . 1 . . . . 23 LEU HA . 16956 1 218 . 1 1 23 23 LEU HB2 H 1 1.80 0.02 . 2 . . . . 23 LEU HB2 . 16956 1 219 . 1 1 23 23 LEU HB3 H 1 1.76 0.02 . 2 . . . . 23 LEU HB3 . 16956 1 220 . 1 1 23 23 LEU HD11 H 1 0.94 0.02 . 1 . . . . 23 LEU HD1 . 16956 1 221 . 1 1 23 23 LEU HD12 H 1 0.94 0.02 . 1 . . . . 23 LEU HD1 . 16956 1 222 . 1 1 23 23 LEU HD13 H 1 0.94 0.02 . 1 . . . . 23 LEU HD1 . 16956 1 223 . 1 1 23 23 LEU HD21 H 1 0.94 0.02 . 1 . . . . 23 LEU HD2 . 16956 1 224 . 1 1 23 23 LEU HD22 H 1 0.94 0.02 . 1 . . . . 23 LEU HD2 . 16956 1 225 . 1 1 23 23 LEU HD23 H 1 0.94 0.02 . 1 . . . . 23 LEU HD2 . 16956 1 226 . 1 1 23 23 LEU HG H 1 1.76 0.02 . 1 . . . . 23 LEU HG . 16956 1 227 . 1 1 23 23 LEU C C 13 175.8 0.3 . 1 . . . . 23 LEU C . 16956 1 228 . 1 1 23 23 LEU CA C 13 56.9 0.3 . 1 . . . . 23 LEU CA . 16956 1 229 . 1 1 23 23 LEU CB C 13 40.3 0.3 . 1 . . . . 23 LEU CB . 16956 1 230 . 1 1 23 23 LEU CD1 C 13 24.5 0.3 . 1 . . . . 23 LEU CD1 . 16956 1 231 . 1 1 23 23 LEU CD2 C 13 24.0 0.3 . 1 . . . . 23 LEU CD2 . 16956 1 232 . 1 1 23 23 LEU CG C 13 27.3 0.3 . 1 . . . . 23 LEU CG . 16956 1 233 . 1 1 23 23 LEU N N 15 121.1 0.3 . 1 . . . . 23 LEU N . 16956 1 234 . 1 1 24 24 GLY H H 1 8.34 0.02 . 1 . . . . 24 GLY H . 16956 1 235 . 1 1 24 24 GLY HA2 H 1 4.37 0.02 . 2 . . . . 24 GLY HA2 . 16956 1 236 . 1 1 24 24 GLY HA3 H 1 3.57 0.02 . 2 . . . . 24 GLY HA3 . 16956 1 237 . 1 1 24 24 GLY C C 13 173.7 0.3 . 1 . . . . 24 GLY C . 16956 1 238 . 1 1 24 24 GLY CA C 13 42.9 0.3 . 1 . . . . 24 GLY CA . 16956 1 239 . 1 1 24 24 GLY N N 15 104.8 0.3 . 1 . . . . 24 GLY N . 16956 1 240 . 1 1 25 25 SER H H 1 8.92 0.02 . 1 . . . . 25 SER H . 16956 1 241 . 1 1 25 25 SER HA H 1 4.31 0.02 . 1 . . . . 25 SER HA . 16956 1 242 . 1 1 25 25 SER HB2 H 1 3.98 0.02 . 2 . . . . 25 SER HB2 . 16956 1 243 . 1 1 25 25 SER HB3 H 1 3.90 0.02 . 2 . . . . 25 SER HB3 . 16956 1 244 . 1 1 25 25 SER C C 13 173.4 0.3 . 1 . . . . 25 SER C . 16956 1 245 . 1 1 25 25 SER CA C 13 58.4 0.3 . 1 . . . . 25 SER CA . 16956 1 246 . 1 1 25 25 SER CB C 13 63.4 0.3 . 1 . . . . 25 SER CB . 16956 1 247 . 1 1 25 25 SER N N 15 120.7 0.3 . 1 . . . . 25 SER N . 16956 1 248 . 1 1 26 26 GLU H H 1 9.24 0.02 . 1 . . . . 26 GLU H . 16956 1 249 . 1 1 26 26 GLU HA H 1 4.90 0.02 . 1 . . . . 26 GLU HA . 16956 1 250 . 1 1 26 26 GLU HB2 H 1 2.09 0.02 . 2 . . . . 26 GLU HB2 . 16956 1 251 . 1 1 26 26 GLU HB3 H 1 2.00 0.02 . 2 . . . . 26 GLU HB3 . 16956 1 252 . 1 1 26 26 GLU HG2 H 1 2.39 0.02 . 2 . . . . 26 GLU HG2 . 16956 1 253 . 1 1 26 26 GLU HG3 H 1 2.32 0.02 . 2 . . . . 26 GLU HG3 . 16956 1 254 . 1 1 26 26 GLU C C 13 174.8 0.3 . 1 . . . . 26 GLU C . 16956 1 255 . 1 1 26 26 GLU CA C 13 55.0 0.3 . 1 . . . . 26 GLU CA . 16956 1 256 . 1 1 26 26 GLU CB C 13 31.0 0.3 . 1 . . . . 26 GLU CB . 16956 1 257 . 1 1 26 26 GLU CG C 13 35.2 0.3 . 1 . . . . 26 GLU CG . 16956 1 258 . 1 1 26 26 GLU N N 15 122.6 0.3 . 1 . . . . 26 GLU N . 16956 1 259 . 1 1 27 27 GLN H H 1 8.50 0.02 . 1 . . . . 27 GLN H . 16956 1 260 . 1 1 27 27 GLN HA H 1 5.29 0.02 . 1 . . . . 27 GLN HA . 16956 1 261 . 1 1 27 27 GLN HB2 H 1 1.98 0.02 . 2 . . . . 27 GLN HB2 . 16956 1 262 . 1 1 27 27 GLN HB3 H 1 1.88 0.02 . 2 . . . . 27 GLN HB3 . 16956 1 263 . 1 1 27 27 GLN HE21 H 1 7.56 0.02 . 1 . . . . 27 GLN HE21 . 16956 1 264 . 1 1 27 27 GLN HE22 H 1 6.82 0.02 . 1 . . . . 27 GLN HE22 . 16956 1 265 . 1 1 27 27 GLN HG2 H 1 2.48 0.02 . 2 . . . . 27 GLN HG2 . 16956 1 266 . 1 1 27 27 GLN HG3 H 1 2.24 0.02 . 2 . . . . 27 GLN HG3 . 16956 1 267 . 1 1 27 27 GLN C C 13 175.2 0.3 . 1 . . . . 27 GLN C . 16956 1 268 . 1 1 27 27 GLN CA C 13 54.7 0.3 . 1 . . . . 27 GLN CA . 16956 1 269 . 1 1 27 27 GLN CB C 13 29.5 0.3 . 1 . . . . 27 GLN CB . 16956 1 270 . 1 1 27 27 GLN CG C 13 34.2 0.3 . 1 . . . . 27 GLN CG . 16956 1 271 . 1 1 27 27 GLN N N 15 119.3 0.3 . 1 . . . . 27 GLN N . 16956 1 272 . 1 1 27 27 GLN NE2 N 15 111.3 0.3 . 1 . . . . 27 GLN NE2 . 16956 1 273 . 1 1 28 28 ILE H H 1 9.35 0.02 . 1 . . . . 28 ILE H . 16956 1 274 . 1 1 28 28 ILE HA H 1 5.06 0.02 . 1 . . . . 28 ILE HA . 16956 1 275 . 1 1 28 28 ILE HB H 1 1.68 0.02 . 1 . . . . 28 ILE HB . 16956 1 276 . 1 1 28 28 ILE HD11 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16956 1 277 . 1 1 28 28 ILE HD12 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16956 1 278 . 1 1 28 28 ILE HD13 H 1 0.81 0.02 . 1 . . . . 28 ILE HD1 . 16956 1 279 . 1 1 28 28 ILE HG12 H 1 1.62 0.02 . 2 . . . . 28 ILE HG12 . 16956 1 280 . 1 1 28 28 ILE HG13 H 1 1.59 0.02 . 2 . . . . 28 ILE HG13 . 16956 1 281 . 1 1 28 28 ILE HG21 H 1 0.67 0.02 . 1 . . . . 28 ILE HG2 . 16956 1 282 . 1 1 28 28 ILE HG22 H 1 0.67 0.02 . 1 . . . . 28 ILE HG2 . 16956 1 283 . 1 1 28 28 ILE HG23 H 1 0.67 0.02 . 1 . . . . 28 ILE HG2 . 16956 1 284 . 1 1 28 28 ILE C C 13 173.8 0.3 . 1 . . . . 28 ILE C . 16956 1 285 . 1 1 28 28 ILE CA C 13 61.0 0.3 . 1 . . . . 28 ILE CA . 16956 1 286 . 1 1 28 28 ILE CB C 13 39.9 0.3 . 1 . . . . 28 ILE CB . 16956 1 287 . 1 1 28 28 ILE CD1 C 13 15.0 0.3 . 1 . . . . 28 ILE CD1 . 16956 1 288 . 1 1 28 28 ILE CG1 C 13 27.6 0.3 . 1 . . . . 28 ILE CG1 . 16956 1 289 . 1 1 28 28 ILE CG2 C 13 19.2 0.3 . 1 . . . . 28 ILE CG2 . 16956 1 290 . 1 1 28 28 ILE N N 15 123.6 0.3 . 1 . . . . 28 ILE N . 16956 1 291 . 1 1 29 29 LEU H H 1 8.68 0.02 . 1 . . . . 29 LEU H . 16956 1 292 . 1 1 29 29 LEU HA H 1 5.33 0.02 . 1 . . . . 29 LEU HA . 16956 1 293 . 1 1 29 29 LEU HB2 H 1 1.86 0.02 . 2 . . . . 29 LEU HB2 . 16956 1 294 . 1 1 29 29 LEU HB3 H 1 1.58 0.02 . 2 . . . . 29 LEU HB3 . 16956 1 295 . 1 1 29 29 LEU HD11 H 1 0.91 0.02 . 1 . . . . 29 LEU HD1 . 16956 1 296 . 1 1 29 29 LEU HD12 H 1 0.91 0.02 . 1 . . . . 29 LEU HD1 . 16956 1 297 . 1 1 29 29 LEU HD13 H 1 0.91 0.02 . 1 . . . . 29 LEU HD1 . 16956 1 298 . 1 1 29 29 LEU HD21 H 1 0.84 0.02 . 1 . . . . 29 LEU HD2 . 16956 1 299 . 1 1 29 29 LEU HD22 H 1 0.84 0.02 . 1 . . . . 29 LEU HD2 . 16956 1 300 . 1 1 29 29 LEU HD23 H 1 0.84 0.02 . 1 . . . . 29 LEU HD2 . 16956 1 301 . 1 1 29 29 LEU HG H 1 1.54 0.02 . 1 . . . . 29 LEU HG . 16956 1 302 . 1 1 29 29 LEU C C 13 176.9 0.3 . 1 . . . . 29 LEU C . 16956 1 303 . 1 1 29 29 LEU CA C 13 52.5 0.3 . 1 . . . . 29 LEU CA . 16956 1 304 . 1 1 29 29 LEU CB C 13 43.2 0.3 . 1 . . . . 29 LEU CB . 16956 1 305 . 1 1 29 29 LEU CD1 C 13 24.7 0.3 . 1 . . . . 29 LEU CD1 . 16956 1 306 . 1 1 29 29 LEU CD2 C 13 22.5 0.3 . 1 . . . . 29 LEU CD2 . 16956 1 307 . 1 1 29 29 LEU CG C 13 26.8 0.3 . 1 . . . . 29 LEU CG . 16956 1 308 . 1 1 29 29 LEU N N 15 127.2 0.3 . 1 . . . . 29 LEU N . 16956 1 309 . 1 1 30 30 GLY H H 1 9.08 0.02 . 1 . . . . 30 GLY H . 16956 1 310 . 1 1 30 30 GLY HA2 H 1 3.73 0.02 . 2 . . . . 30 GLY HA2 . 16956 1 311 . 1 1 30 30 GLY HA3 H 1 3.69 0.02 . 2 . . . . 30 GLY HA3 . 16956 1 312 . 1 1 30 30 GLY C C 13 174.9 0.3 . 1 . . . . 30 GLY C . 16956 1 313 . 1 1 30 30 GLY CA C 13 47.1 0.3 . 1 . . . . 30 GLY CA . 16956 1 314 . 1 1 30 30 GLY N N 15 108.4 0.3 . 1 . . . . 30 GLY N . 16956 1 315 . 1 1 31 31 GLY H H 1 9.08 0.02 . 1 . . . . 31 GLY H . 16956 1 316 . 1 1 31 31 GLY HA2 H 1 4.00 0.02 . 2 . . . . 31 GLY HA2 . 16956 1 317 . 1 1 31 31 GLY HA3 H 1 3.87 0.02 . 2 . . . . 31 GLY HA3 . 16956 1 318 . 1 1 31 31 GLY C C 13 174.1 0.3 . 1 . . . . 31 GLY C . 16956 1 319 . 1 1 31 31 GLY CA C 13 44.9 0.3 . 1 . . . . 31 GLY CA . 16956 1 320 . 1 1 31 31 GLY N N 15 112.0 0.3 . 1 . . . . 31 GLY N . 16956 1 321 . 1 1 32 32 GLY H H 1 9.17 0.02 . 1 . . . . 32 GLY H . 16956 1 322 . 1 1 32 32 GLY HA2 H 1 4.06 0.02 . 2 . . . . 32 GLY HA2 . 16956 1 323 . 1 1 32 32 GLY HA3 H 1 4.00 0.02 . 2 . . . . 32 GLY HA3 . 16956 1 324 . 1 1 32 32 GLY C C 13 172.2 0.3 . 1 . . . . 32 GLY C . 16956 1 325 . 1 1 32 32 GLY CA C 13 45.4 0.3 . 1 . . . . 32 GLY CA . 16956 1 326 . 1 1 32 32 GLY N N 15 111.0 0.3 . 1 . . . . 32 GLY N . 16956 1 327 . 1 1 33 33 GLY H H 1 8.78 0.02 . 1 . . . . 33 GLY H . 16956 1 328 . 1 1 33 33 GLY HA2 H 1 4.02 0.02 . 2 . . . . 33 GLY HA2 . 16956 1 329 . 1 1 33 33 GLY HA3 H 1 3.76 0.02 . 2 . . . . 33 GLY HA3 . 16956 1 330 . 1 1 33 33 GLY C C 13 171.6 0.3 . 1 . . . . 33 GLY C . 16956 1 331 . 1 1 33 33 GLY CA C 13 43.9 0.3 . 1 . . . . 33 GLY CA . 16956 1 332 . 1 1 33 33 GLY N N 15 110.9 0.3 . 1 . . . . 33 GLY N . 16956 1 333 . 1 1 34 34 ALA H H 1 8.90 0.02 . 1 . . . . 34 ALA H . 16956 1 334 . 1 1 34 34 ALA HA H 1 4.32 0.02 . 1 . . . . 34 ALA HA . 16956 1 335 . 1 1 34 34 ALA HB1 H 1 1.44 0.02 . 1 . . . . 34 ALA HB . 16956 1 336 . 1 1 34 34 ALA HB2 H 1 1.44 0.02 . 1 . . . . 34 ALA HB . 16956 1 337 . 1 1 34 34 ALA HB3 H 1 1.44 0.02 . 1 . . . . 34 ALA HB . 16956 1 338 . 1 1 34 34 ALA C C 13 175.4 0.3 . 1 . . . . 34 ALA C . 16956 1 339 . 1 1 34 34 ALA CA C 13 52.0 0.3 . 1 . . . . 34 ALA CA . 16956 1 340 . 1 1 34 34 ALA CB C 13 18.8 0.3 . 1 . . . . 34 ALA CB . 16956 1 341 . 1 1 34 34 ALA N N 15 128.9 0.3 . 1 . . . . 34 ALA N . 16956 1 342 . 1 1 35 35 ASP H H 1 9.11 0.02 . 1 . . . . 35 ASP H . 16956 1 343 . 1 1 35 35 ASP HA H 1 5.72 0.02 . 1 . . . . 35 ASP HA . 16956 1 344 . 1 1 35 35 ASP HB2 H 1 2.58 0.02 . 2 . . . . 35 ASP HB2 . 16956 1 345 . 1 1 35 35 ASP HB3 H 1 2.64 0.02 . 2 . . . . 35 ASP HB3 . 16956 1 346 . 1 1 35 35 ASP C C 13 175.4 0.3 . 1 . . . . 35 ASP C . 16956 1 347 . 1 1 35 35 ASP CA C 13 53.4 0.3 . 1 . . . . 35 ASP CA . 16956 1 348 . 1 1 35 35 ASP CB C 13 45.8 0.3 . 1 . . . . 35 ASP CB . 16956 1 349 . 1 1 35 35 ASP N N 15 122.9 0.3 . 1 . . . . 35 ASP N . 16956 1 350 . 1 1 36 36 GLN H H 1 8.80 0.02 . 1 . . . . 36 GLN H . 16956 1 351 . 1 1 36 36 GLN HA H 1 5.15 0.02 . 1 . . . . 36 GLN HA . 16956 1 352 . 1 1 36 36 GLN HB2 H 1 2.02 0.02 . 2 . . . . 36 GLN HB2 . 16956 1 353 . 1 1 36 36 GLN HB3 H 1 1.95 0.02 . 2 . . . . 36 GLN HB3 . 16956 1 354 . 1 1 36 36 GLN HE21 H 1 7.59 0.02 . 1 . . . . 36 GLN HE21 . 16956 1 355 . 1 1 36 36 GLN HE22 H 1 6.95 0.02 . 1 . . . . 36 GLN HE22 . 16956 1 356 . 1 1 36 36 GLN HG2 H 1 2.49 0.02 . 2 . . . . 36 GLN HG2 . 16956 1 357 . 1 1 36 36 GLN HG3 H 1 2.21 0.02 . 2 . . . . 36 GLN HG3 . 16956 1 358 . 1 1 36 36 GLN C C 13 173.0 0.3 . 1 . . . . 36 GLN C . 16956 1 359 . 1 1 36 36 GLN CA C 13 54.8 0.3 . 1 . . . . 36 GLN CA . 16956 1 360 . 1 1 36 36 GLN CB C 13 31.7 0.3 . 1 . . . . 36 GLN CB . 16956 1 361 . 1 1 36 36 GLN CG C 13 34.4 0.3 . 1 . . . . 36 GLN CG . 16956 1 362 . 1 1 36 36 GLN N N 15 119.8 0.3 . 1 . . . . 36 GLN N . 16956 1 363 . 1 1 36 36 GLN NE2 N 15 112.7 0.3 . 1 . . . . 36 GLN NE2 . 16956 1 364 . 1 1 37 37 LEU H H 1 8.41 0.02 . 1 . . . . 37 LEU H . 16956 1 365 . 1 1 37 37 LEU HA H 1 4.90 0.02 . 1 . . . . 37 LEU HA . 16956 1 366 . 1 1 37 37 LEU HB2 H 1 1.55 0.02 . 2 . . . . 37 LEU HB2 . 16956 1 367 . 1 1 37 37 LEU HB3 H 1 1.46 0.02 . 2 . . . . 37 LEU HB3 . 16956 1 368 . 1 1 37 37 LEU HD11 H 1 0.74 0.02 . 1 . . . . 37 LEU HD1 . 16956 1 369 . 1 1 37 37 LEU HD12 H 1 0.74 0.02 . 1 . . . . 37 LEU HD1 . 16956 1 370 . 1 1 37 37 LEU HD13 H 1 0.74 0.02 . 1 . . . . 37 LEU HD1 . 16956 1 371 . 1 1 37 37 LEU HD21 H 1 0.63 0.02 . 1 . . . . 37 LEU HD2 . 16956 1 372 . 1 1 37 37 LEU HD22 H 1 0.63 0.02 . 1 . . . . 37 LEU HD2 . 16956 1 373 . 1 1 37 37 LEU HD23 H 1 0.63 0.02 . 1 . . . . 37 LEU HD2 . 16956 1 374 . 1 1 37 37 LEU HG H 1 1.67 0.02 . 1 . . . . 37 LEU HG . 16956 1 375 . 1 1 37 37 LEU C C 13 174.8 0.3 . 1 . . . . 37 LEU C . 16956 1 376 . 1 1 37 37 LEU CA C 13 55.3 0.3 . 1 . . . . 37 LEU CA . 16956 1 377 . 1 1 37 37 LEU CB C 13 42.2 0.3 . 1 . . . . 37 LEU CB . 16956 1 378 . 1 1 37 37 LEU CD1 C 13 25.7 0.3 . 1 . . . . 37 LEU CD1 . 16956 1 379 . 1 1 37 37 LEU CD2 C 13 27.6 0.3 . 1 . . . . 37 LEU CD2 . 16956 1 380 . 1 1 37 37 LEU CG C 13 30.9 0.3 . 1 . . . . 37 LEU CG . 16956 1 381 . 1 1 37 37 LEU N N 15 125.5 0.3 . 1 . . . . 37 LEU N . 16956 1 382 . 1 1 38 38 TYR H H 1 8.46 0.02 . 1 . . . . 38 TYR H . 16956 1 383 . 1 1 38 38 TYR HA H 1 5.06 0.02 . 1 . . . . 38 TYR HA . 16956 1 384 . 1 1 38 38 TYR HB2 H 1 2.63 0.02 . 2 . . . . 38 TYR HB2 . 16956 1 385 . 1 1 38 38 TYR HB3 H 1 2.27 0.02 . 2 . . . . 38 TYR HB3 . 16956 1 386 . 1 1 38 38 TYR HD2 H 1 6.58 0.02 . 1 . . . . 38 TYR HD2 . 16956 1 387 . 1 1 38 38 TYR HE2 H 1 6.55 0.02 . 1 . . . . 38 TYR HE2 . 16956 1 388 . 1 1 38 38 TYR C C 13 174.7 0.3 . 1 . . . . 38 TYR C . 16956 1 389 . 1 1 38 38 TYR CA C 13 56.3 0.3 . 1 . . . . 38 TYR CA . 16956 1 390 . 1 1 38 38 TYR CB C 13 40.6 0.3 . 1 . . . . 38 TYR CB . 16956 1 391 . 1 1 38 38 TYR CD2 C 13 133.5 0.3 . 1 . . . . 38 TYR CD2 . 16956 1 392 . 1 1 38 38 TYR CE2 C 13 117.2 0.3 . 1 . . . . 38 TYR CE2 . 16956 1 393 . 1 1 38 38 TYR N N 15 120.8 0.3 . 1 . . . . 38 TYR N . 16956 1 394 . 1 1 39 39 GLY H H 1 9.13 0.02 . 1 . . . . 39 GLY H . 16956 1 395 . 1 1 39 39 GLY HA2 H 1 3.91 0.02 . 2 . . . . 39 GLY HA2 . 16956 1 396 . 1 1 39 39 GLY HA3 H 1 3.53 0.02 . 2 . . . . 39 GLY HA3 . 16956 1 397 . 1 1 39 39 GLY C C 13 174.4 0.3 . 1 . . . . 39 GLY C . 16956 1 398 . 1 1 39 39 GLY CA C 13 46.6 0.3 . 1 . . . . 39 GLY CA . 16956 1 399 . 1 1 39 39 GLY N N 15 108.9 0.3 . 1 . . . . 39 GLY N . 16956 1 400 . 1 1 40 40 TYR H H 1 8.83 0.02 . 1 . . . . 40 TYR H . 16956 1 401 . 1 1 40 40 TYR HA H 1 4.42 0.02 . 1 . . . . 40 TYR HA . 16956 1 402 . 1 1 40 40 TYR HB2 H 1 3.23 0.02 . 2 . . . . 40 TYR HB2 . 16956 1 403 . 1 1 40 40 TYR HB3 H 1 3.18 0.02 . 2 . . . . 40 TYR HB3 . 16956 1 404 . 1 1 40 40 TYR HD2 H 1 6.81 0.02 . 1 . . . . 40 TYR HD2 . 16956 1 405 . 1 1 40 40 TYR HE2 H 1 6.90 0.02 . 1 . . . . 40 TYR HE2 . 16956 1 406 . 1 1 40 40 TYR C C 13 174.1 0.3 . 1 . . . . 40 TYR C . 16956 1 407 . 1 1 40 40 TYR CA C 13 59.6 0.3 . 1 . . . . 40 TYR CA . 16956 1 408 . 1 1 40 40 TYR CB C 13 35.3 0.3 . 1 . . . . 40 TYR CB . 16956 1 409 . 1 1 40 40 TYR CD2 C 13 132.9 0.3 . 1 . . . . 40 TYR CD2 . 16956 1 410 . 1 1 40 40 TYR CE2 C 13 117.9 0.3 . 1 . . . . 40 TYR CE2 . 16956 1 411 . 1 1 40 40 TYR N N 15 117.2 0.3 . 1 . . . . 40 TYR N . 16956 1 412 . 1 1 41 41 ALA H H 1 7.80 0.02 . 1 . . . . 41 ALA H . 16956 1 413 . 1 1 41 41 ALA HA H 1 4.34 0.02 . 1 . . . . 41 ALA HA . 16956 1 414 . 1 1 41 41 ALA HB1 H 1 1.64 0.02 . 1 . . . . 41 ALA HB . 16956 1 415 . 1 1 41 41 ALA HB2 H 1 1.64 0.02 . 1 . . . . 41 ALA HB . 16956 1 416 . 1 1 41 41 ALA HB3 H 1 1.64 0.02 . 1 . . . . 41 ALA HB . 16956 1 417 . 1 1 41 41 ALA C C 13 174.2 0.3 . 1 . . . . 41 ALA C . 16956 1 418 . 1 1 41 41 ALA CA C 13 53.3 0.3 . 1 . . . . 41 ALA CA . 16956 1 419 . 1 1 41 41 ALA CB C 13 18.7 0.3 . 1 . . . . 41 ALA CB . 16956 1 420 . 1 1 41 41 ALA N N 15 123.8 0.3 . 1 . . . . 41 ALA N . 16956 1 421 . 1 1 42 42 GLY H H 1 8.79 0.02 . 1 . . . . 42 GLY H . 16956 1 422 . 1 1 42 42 GLY HA2 H 1 3.98 0.02 . 2 . . . . 42 GLY HA2 . 16956 1 423 . 1 1 42 42 GLY HA3 H 1 3.63 0.02 . 2 . . . . 42 GLY HA3 . 16956 1 424 . 1 1 42 42 GLY C C 13 172.8 0.3 . 1 . . . . 42 GLY C . 16956 1 425 . 1 1 42 42 GLY CA C 13 43.1 0.3 . 1 . . . . 42 GLY CA . 16956 1 426 . 1 1 42 42 GLY N N 15 109.6 0.3 . 1 . . . . 42 GLY N . 16956 1 427 . 1 1 43 43 ASN H H 1 9.00 0.02 . 1 . . . . 43 ASN H . 16956 1 428 . 1 1 43 43 ASN HA H 1 4.33 0.02 . 1 . . . . 43 ASN HA . 16956 1 429 . 1 1 43 43 ASN HB2 H 1 2.92 0.02 . 2 . . . . 43 ASN HB2 . 16956 1 430 . 1 1 43 43 ASN HB3 H 1 2.89 0.02 . 2 . . . . 43 ASN HB3 . 16956 1 431 . 1 1 43 43 ASN HD21 H 1 7.89 0.02 . 1 . . . . 43 ASN HD21 . 16956 1 432 . 1 1 43 43 ASN HD22 H 1 7.20 0.02 . 1 . . . . 43 ASN HD22 . 16956 1 433 . 1 1 43 43 ASN C C 13 172.8 0.3 . 1 . . . . 43 ASN C . 16956 1 434 . 1 1 43 43 ASN CA C 13 52.8 0.3 . 1 . . . . 43 ASN CA . 16956 1 435 . 1 1 43 43 ASN CB C 13 36.3 0.3 . 1 . . . . 43 ASN CB . 16956 1 436 . 1 1 43 43 ASN N N 15 126.7 0.3 . 1 . . . . 43 ASN N . 16956 1 437 . 1 1 43 43 ASN ND2 N 15 115.2 0.3 . 1 . . . . 43 ASN ND2 . 16956 1 438 . 1 1 44 44 ASP H H 1 8.98 0.02 . 1 . . . . 44 ASP H . 16956 1 439 . 1 1 44 44 ASP HA H 1 5.20 0.02 . 1 . . . . 44 ASP HA . 16956 1 440 . 1 1 44 44 ASP HB2 H 1 2.79 0.02 . 2 . . . . 44 ASP HB2 . 16956 1 441 . 1 1 44 44 ASP HB3 H 1 2.66 0.02 . 2 . . . . 44 ASP HB3 . 16956 1 442 . 1 1 44 44 ASP C C 13 173.5 0.3 . 1 . . . . 44 ASP C . 16956 1 443 . 1 1 44 44 ASP CA C 13 54.4 0.3 . 1 . . . . 44 ASP CA . 16956 1 444 . 1 1 44 44 ASP CB C 13 43.5 0.3 . 1 . . . . 44 ASP CB . 16956 1 445 . 1 1 44 44 ASP N N 15 124.0 0.3 . 1 . . . . 44 ASP N . 16956 1 446 . 1 1 45 45 LEU H H 1 8.54 0.02 . 1 . . . . 45 LEU H . 16956 1 447 . 1 1 45 45 LEU HA H 1 5.05 0.02 . 1 . . . . 45 LEU HA . 16956 1 448 . 1 1 45 45 LEU HB2 H 1 1.67 0.02 . 2 . . . . 45 LEU HB2 . 16956 1 449 . 1 1 45 45 LEU HB3 H 1 1.60 0.02 . 2 . . . . 45 LEU HB3 . 16956 1 450 . 1 1 45 45 LEU HD11 H 1 0.68 0.02 . 1 . . . . 45 LEU HD1 . 16956 1 451 . 1 1 45 45 LEU HD12 H 1 0.68 0.02 . 1 . . . . 45 LEU HD1 . 16956 1 452 . 1 1 45 45 LEU HD13 H 1 0.68 0.02 . 1 . . . . 45 LEU HD1 . 16956 1 453 . 1 1 45 45 LEU HD21 H 1 0.84 0.02 . 1 . . . . 45 LEU HD2 . 16956 1 454 . 1 1 45 45 LEU HD22 H 1 0.84 0.02 . 1 . . . . 45 LEU HD2 . 16956 1 455 . 1 1 45 45 LEU HD23 H 1 0.84 0.02 . 1 . . . . 45 LEU HD2 . 16956 1 456 . 1 1 45 45 LEU HG H 1 1.46 0.02 . 1 . . . . 45 LEU HG . 16956 1 457 . 1 1 45 45 LEU C C 13 173.9 0.3 . 1 . . . . 45 LEU C . 16956 1 458 . 1 1 45 45 LEU CA C 13 54.3 0.3 . 1 . . . . 45 LEU CA . 16956 1 459 . 1 1 45 45 LEU CB C 13 43.7 0.3 . 1 . . . . 45 LEU CB . 16956 1 460 . 1 1 45 45 LEU CD1 C 13 24.1 0.3 . 1 . . . . 45 LEU CD1 . 16956 1 461 . 1 1 45 45 LEU CD2 C 13 26.0 0.3 . 1 . . . . 45 LEU CD2 . 16956 1 462 . 1 1 45 45 LEU CG C 13 28.0 0.3 . 1 . . . . 45 LEU CG . 16956 1 463 . 1 1 45 45 LEU N N 15 124.9 0.3 . 1 . . . . 45 LEU N . 16956 1 464 . 1 1 46 46 LEU H H 1 9.20 0.02 . 1 . . . . 46 LEU H . 16956 1 465 . 1 1 46 46 LEU HA H 1 5.12 0.02 . 1 . . . . 46 LEU HA . 16956 1 466 . 1 1 46 46 LEU HB2 H 1 1.52 0.02 . 2 . . . . 46 LEU HB2 . 16956 1 467 . 1 1 46 46 LEU HB3 H 1 1.49 0.02 . 2 . . . . 46 LEU HB3 . 16956 1 468 . 1 1 46 46 LEU HD11 H 1 0.70 0.02 . 1 . . . . 46 LEU HD1 . 16956 1 469 . 1 1 46 46 LEU HD12 H 1 0.70 0.02 . 1 . . . . 46 LEU HD1 . 16956 1 470 . 1 1 46 46 LEU HD13 H 1 0.70 0.02 . 1 . . . . 46 LEU HD1 . 16956 1 471 . 1 1 46 46 LEU HD21 H 1 0.60 0.02 . 1 . . . . 46 LEU HD2 . 16956 1 472 . 1 1 46 46 LEU HD22 H 1 0.60 0.02 . 1 . . . . 46 LEU HD2 . 16956 1 473 . 1 1 46 46 LEU HD23 H 1 0.60 0.02 . 1 . . . . 46 LEU HD2 . 16956 1 474 . 1 1 46 46 LEU HG H 1 1.53 0.02 . 1 . . . . 46 LEU HG . 16956 1 475 . 1 1 46 46 LEU CA C 13 55.0 0.3 . 1 . . . . 46 LEU CA . 16956 1 476 . 1 1 46 46 LEU CB C 13 44.3 0.3 . 1 . . . . 46 LEU CB . 16956 1 477 . 1 1 46 46 LEU CD1 C 13 28.4 0.3 . 1 . . . . 46 LEU CD1 . 16956 1 478 . 1 1 46 46 LEU CD2 C 13 25.7 0.3 . 1 . . . . 46 LEU CD2 . 16956 1 479 . 1 1 46 46 LEU CG C 13 31.1 0.3 . 1 . . . . 46 LEU CG . 16956 1 480 . 1 1 46 46 LEU N N 15 127.6 0.3 . 1 . . . . 46 LEU N . 16956 1 481 . 1 1 47 47 ASP HA H 1 5.07 0.02 . 1 . . . . 47 ASP HA . 16956 1 482 . 1 1 47 47 ASP HB2 H 1 2.90 0.02 . 2 . . . . 47 ASP HB2 . 16956 1 483 . 1 1 47 47 ASP HB3 H 1 2.16 0.02 . 2 . . . . 47 ASP HB3 . 16956 1 484 . 1 1 47 47 ASP C C 13 178.0 0.3 . 1 . . . . 47 ASP C . 16956 1 485 . 1 1 47 47 ASP CA C 13 52.2 0.3 . 1 . . . . 47 ASP CA . 16956 1 486 . 1 1 47 47 ASP CB C 13 42.8 0.3 . 1 . . . . 47 ASP CB . 16956 1 487 . 1 1 48 48 GLY H H 1 9.83 0.02 . 1 . . . . 48 GLY H . 16956 1 488 . 1 1 48 48 GLY HA2 H 1 3.87 0.02 . 2 . . . . 48 GLY HA2 . 16956 1 489 . 1 1 48 48 GLY HA3 H 1 3.55 0.02 . 2 . . . . 48 GLY HA3 . 16956 1 490 . 1 1 48 48 GLY C C 13 173.9 0.3 . 1 . . . . 48 GLY C . 16956 1 491 . 1 1 48 48 GLY CA C 13 46.9 0.3 . 1 . . . . 48 GLY CA . 16956 1 492 . 1 1 48 48 GLY N N 15 113.2 0.3 . 1 . . . . 48 GLY N . 16956 1 493 . 1 1 49 49 GLY H H 1 9.10 0.02 . 1 . . . . 49 GLY H . 16956 1 494 . 1 1 49 49 GLY HA2 H 1 4.08 0.02 . 2 . . . . 49 GLY HA2 . 16956 1 495 . 1 1 49 49 GLY HA3 H 1 3.83 0.02 . 2 . . . . 49 GLY HA3 . 16956 1 496 . 1 1 49 49 GLY C C 13 172.9 0.3 . 1 . . . . 49 GLY C . 16956 1 497 . 1 1 49 49 GLY CA C 13 45.2 0.3 . 1 . . . . 49 GLY CA . 16956 1 498 . 1 1 49 49 GLY N N 15 113.0 0.3 . 1 . . . . 49 GLY N . 16956 1 499 . 1 1 50 50 ALA H H 1 8.81 0.02 . 1 . . . . 50 ALA H . 16956 1 500 . 1 1 50 50 ALA HA H 1 4.43 0.02 . 1 . . . . 50 ALA HA . 16956 1 501 . 1 1 50 50 ALA HB1 H 1 1.51 0.02 . 1 . . . . 50 ALA HB . 16956 1 502 . 1 1 50 50 ALA HB2 H 1 1.51 0.02 . 1 . . . . 50 ALA HB . 16956 1 503 . 1 1 50 50 ALA HB3 H 1 1.51 0.02 . 1 . . . . 50 ALA HB . 16956 1 504 . 1 1 50 50 ALA C C 13 177.5 0.3 . 1 . . . . 50 ALA C . 16956 1 505 . 1 1 50 50 ALA CA C 13 53.3 0.3 . 1 . . . . 50 ALA CA . 16956 1 506 . 1 1 50 50 ALA CB C 13 19.4 0.3 . 1 . . . . 50 ALA CB . 16956 1 507 . 1 1 50 50 ALA N N 15 128.6 0.3 . 1 . . . . 50 ALA N . 16956 1 508 . 1 1 51 51 GLY H H 1 9.37 0.02 . 1 . . . . 51 GLY H . 16956 1 509 . 1 1 51 51 GLY HA2 H 1 4.19 0.02 . 2 . . . . 51 GLY HA2 . 16956 1 510 . 1 1 51 51 GLY HA3 H 1 3.84 0.02 . 2 . . . . 51 GLY HA3 . 16956 1 511 . 1 1 51 51 GLY C C 13 172.6 0.3 . 1 . . . . 51 GLY C . 16956 1 512 . 1 1 51 51 GLY CA C 13 44.2 0.3 . 1 . . . . 51 GLY CA . 16956 1 513 . 1 1 51 51 GLY N N 15 111.1 0.3 . 1 . . . . 51 GLY N . 16956 1 514 . 1 1 52 52 ARG H H 1 8.79 0.02 . 1 . . . . 52 ARG H . 16956 1 515 . 1 1 52 52 ARG HA H 1 4.55 0.02 . 1 . . . . 52 ARG HA . 16956 1 516 . 1 1 52 52 ARG HB2 H 1 2.00 0.02 . 2 . . . . 52 ARG HB2 . 16956 1 517 . 1 1 52 52 ARG HB3 H 1 1.66 0.02 . 2 . . . . 52 ARG HB3 . 16956 1 518 . 1 1 52 52 ARG HD2 H 1 3.21 0.02 . 2 . . . . 52 ARG HD2 . 16956 1 519 . 1 1 52 52 ARG HD3 H 1 3.15 0.02 . 2 . . . . 52 ARG HD3 . 16956 1 520 . 1 1 52 52 ARG HG2 H 1 1.41 0.02 . 2 . . . . 52 ARG HG2 . 16956 1 521 . 1 1 52 52 ARG HG3 H 1 1.39 0.02 . 2 . . . . 52 ARG HG3 . 16956 1 522 . 1 1 52 52 ARG C C 13 174.2 0.3 . 1 . . . . 52 ARG C . 16956 1 523 . 1 1 52 52 ARG CA C 13 55.7 0.3 . 1 . . . . 52 ARG CA . 16956 1 524 . 1 1 52 52 ARG CB C 13 30.8 0.3 . 1 . . . . 52 ARG CB . 16956 1 525 . 1 1 52 52 ARG CD C 13 44.4 0.3 . 1 . . . . 52 ARG CD . 16956 1 526 . 1 1 52 52 ARG CG C 13 26.5 0.3 . 1 . . . . 52 ARG CG . 16956 1 527 . 1 1 52 52 ARG N N 15 123.8 0.3 . 1 . . . . 52 ARG N . 16956 1 528 . 1 1 53 53 ASP H H 1 8.98 0.02 . 1 . . . . 53 ASP H . 16956 1 529 . 1 1 53 53 ASP HA H 1 5.72 0.02 . 1 . . . . 53 ASP HA . 16956 1 530 . 1 1 53 53 ASP HB2 H 1 2.59 0.02 . 2 . . . . 53 ASP HB2 . 16956 1 531 . 1 1 53 53 ASP HB3 H 1 2.55 0.02 . 2 . . . . 53 ASP HB3 . 16956 1 532 . 1 1 53 53 ASP C C 13 174.8 0.3 . 1 . . . . 53 ASP C . 16956 1 533 . 1 1 53 53 ASP CA C 13 52.9 0.3 . 1 . . . . 53 ASP CA . 16956 1 534 . 1 1 53 53 ASP CB C 13 45.8 0.3 . 1 . . . . 53 ASP CB . 16956 1 535 . 1 1 53 53 ASP N N 15 126.7 0.3 . 1 . . . . 53 ASP N . 16956 1 536 . 1 1 54 54 LYS H H 1 9.04 0.02 . 1 . . . . 54 LYS H . 16956 1 537 . 1 1 54 54 LYS HA H 1 5.09 0.02 . 1 . . . . 54 LYS HA . 16956 1 538 . 1 1 54 54 LYS HB2 H 1 1.73 0.02 . 2 . . . . 54 LYS HB2 . 16956 1 539 . 1 1 54 54 LYS HB3 H 1 1.66 0.02 . 2 . . . . 54 LYS HB3 . 16956 1 540 . 1 1 54 54 LYS HE2 H 1 3.05 0.02 . 2 . . . . 54 LYS HE2 . 16956 1 541 . 1 1 54 54 LYS HE3 H 1 3.00 0.02 . 2 . . . . 54 LYS HE3 . 16956 1 542 . 1 1 54 54 LYS HG2 H 1 1.66 0.02 . 2 . . . . 54 LYS HG2 . 16956 1 543 . 1 1 54 54 LYS HG3 H 1 1.46 0.02 . 2 . . . . 54 LYS HG3 . 16956 1 544 . 1 1 54 54 LYS C C 13 175.0 0.3 . 1 . . . . 54 LYS C . 16956 1 545 . 1 1 54 54 LYS CA C 13 55.8 0.3 . 1 . . . . 54 LYS CA . 16956 1 546 . 1 1 54 54 LYS CB C 13 35.2 0.3 . 1 . . . . 54 LYS CB . 16956 1 547 . 1 1 54 54 LYS CE C 13 41.9 0.3 . 1 . . . . 54 LYS CE . 16956 1 548 . 1 1 54 54 LYS CG C 13 26.4 0.3 . 1 . . . . 54 LYS CG . 16956 1 549 . 1 1 54 54 LYS N N 15 122.2 0.3 . 1 . . . . 54 LYS N . 16956 1 550 . 1 1 55 55 LEU H H 1 8.96 0.02 . 1 . . . . 55 LEU H . 16956 1 551 . 1 1 55 55 LEU HA H 1 4.70 0.02 . 1 . . . . 55 LEU HA . 16956 1 552 . 1 1 55 55 LEU HB2 H 1 1.55 0.02 . 2 . . . . 55 LEU HB2 . 16956 1 553 . 1 1 55 55 LEU HB3 H 1 1.50 0.02 . 2 . . . . 55 LEU HB3 . 16956 1 554 . 1 1 55 55 LEU HD11 H 1 1.12 0.02 . 1 . . . . 55 LEU HD1 . 16956 1 555 . 1 1 55 55 LEU HD12 H 1 1.12 0.02 . 1 . . . . 55 LEU HD1 . 16956 1 556 . 1 1 55 55 LEU HD13 H 1 1.12 0.02 . 1 . . . . 55 LEU HD1 . 16956 1 557 . 1 1 55 55 LEU HD21 H 1 0.88 0.02 . 1 . . . . 55 LEU HD2 . 16956 1 558 . 1 1 55 55 LEU HD22 H 1 0.88 0.02 . 1 . . . . 55 LEU HD2 . 16956 1 559 . 1 1 55 55 LEU HD23 H 1 0.88 0.02 . 1 . . . . 55 LEU HD2 . 16956 1 560 . 1 1 55 55 LEU HG H 1 1.63 0.02 . 1 . . . . 55 LEU HG . 16956 1 561 . 1 1 55 55 LEU C C 13 174.1 0.3 . 1 . . . . 55 LEU C . 16956 1 562 . 1 1 55 55 LEU CA C 13 53.9 0.3 . 1 . . . . 55 LEU CA . 16956 1 563 . 1 1 55 55 LEU CB C 13 44.8 0.3 . 1 . . . . 55 LEU CB . 16956 1 564 . 1 1 55 55 LEU CD1 C 13 26.6 0.3 . 1 . . . . 55 LEU CD1 . 16956 1 565 . 1 1 55 55 LEU CD2 C 13 26.3 0.3 . 1 . . . . 55 LEU CD2 . 16956 1 566 . 1 1 55 55 LEU CG C 13 27.4 0.3 . 1 . . . . 55 LEU CG . 16956 1 567 . 1 1 55 55 LEU N N 15 123.1 0.3 . 1 . . . . 55 LEU N . 16956 1 568 . 1 1 56 56 SER H H 1 8.43 0.02 . 1 . . . . 56 SER H . 16956 1 569 . 1 1 56 56 SER HA H 1 5.25 0.02 . 1 . . . . 56 SER HA . 16956 1 570 . 1 1 56 56 SER HB2 H 1 3.79 0.02 . 2 . . . . 56 SER HB2 . 16956 1 571 . 1 1 56 56 SER HB3 H 1 3.67 0.02 . 2 . . . . 56 SER HB3 . 16956 1 572 . 1 1 56 56 SER C C 13 175.0 0.3 . 1 . . . . 56 SER C . 16956 1 573 . 1 1 56 56 SER CA C 13 55.8 0.3 . 1 . . . . 56 SER CA . 16956 1 574 . 1 1 56 56 SER CB C 13 63.4 0.3 . 1 . . . . 56 SER CB . 16956 1 575 . 1 1 56 56 SER N N 15 120.9 0.3 . 1 . . . . 56 SER N . 16956 1 576 . 1 1 57 57 GLY H H 1 11.52 0.02 . 1 . . . . 57 GLY H . 16956 1 577 . 1 1 57 57 GLY HA2 H 1 3.93 0.02 . 2 . . . . 57 GLY HA2 . 16956 1 578 . 1 1 57 57 GLY HA3 H 1 3.66 0.02 . 2 . . . . 57 GLY HA3 . 16956 1 579 . 1 1 57 57 GLY C C 13 175.5 0.3 . 1 . . . . 57 GLY C . 16956 1 580 . 1 1 57 57 GLY CA C 13 47.0 0.3 . 1 . . . . 57 GLY CA . 16956 1 581 . 1 1 57 57 GLY N N 15 120.7 0.3 . 1 . . . . 57 GLY N . 16956 1 582 . 1 1 58 58 GLY H H 1 10.69 0.02 . 1 . . . . 58 GLY H . 16956 1 583 . 1 1 58 58 GLY HA2 H 1 4.08 0.02 . 2 . . . . 58 GLY HA2 . 16956 1 584 . 1 1 58 58 GLY HA3 H 1 3.81 0.02 . 2 . . . . 58 GLY HA3 . 16956 1 585 . 1 1 58 58 GLY C C 13 173.7 0.3 . 1 . . . . 58 GLY C . 16956 1 586 . 1 1 58 58 GLY CA C 13 44.3 0.3 . 1 . . . . 58 GLY CA . 16956 1 587 . 1 1 58 58 GLY N N 15 114.8 0.3 . 1 . . . . 58 GLY N . 16956 1 588 . 1 1 59 59 GLU H H 1 9.04 0.02 . 1 . . . . 59 GLU H . 16956 1 589 . 1 1 59 59 GLU HA H 1 4.34 0.02 . 1 . . . . 59 GLU HA . 16956 1 590 . 1 1 59 59 GLU HB2 H 1 2.22 0.02 . 2 . . . . 59 GLU HB2 . 16956 1 591 . 1 1 59 59 GLU HB3 H 1 1.80 0.02 . 2 . . . . 59 GLU HB3 . 16956 1 592 . 1 1 59 59 GLU HG2 H 1 2.52 0.02 . 2 . . . . 59 GLU HG2 . 16956 1 593 . 1 1 59 59 GLU HG3 H 1 2.46 0.02 . 2 . . . . 59 GLU HG3 . 16956 1 594 . 1 1 59 59 GLU C C 13 176.2 0.3 . 1 . . . . 59 GLU C . 16956 1 595 . 1 1 59 59 GLU CA C 13 57.6 0.3 . 1 . . . . 59 GLU CA . 16956 1 596 . 1 1 59 59 GLU CB C 13 30.4 0.3 . 1 . . . . 59 GLU CB . 16956 1 597 . 1 1 59 59 GLU CG C 13 37.0 0.3 . 1 . . . . 59 GLU CG . 16956 1 598 . 1 1 59 59 GLU N N 15 122.5 0.3 . 1 . . . . 59 GLU N . 16956 1 599 . 1 1 60 60 GLY H H 1 9.10 0.02 . 1 . . . . 60 GLY H . 16956 1 600 . 1 1 60 60 GLY HA2 H 1 4.29 0.02 . 2 . . . . 60 GLY HA2 . 16956 1 601 . 1 1 60 60 GLY HA3 H 1 3.71 0.02 . 2 . . . . 60 GLY HA3 . 16956 1 602 . 1 1 60 60 GLY C C 13 172.2 0.3 . 1 . . . . 60 GLY C . 16956 1 603 . 1 1 60 60 GLY CA C 13 44.0 0.3 . 1 . . . . 60 GLY CA . 16956 1 604 . 1 1 60 60 GLY N N 15 113.7 0.3 . 1 . . . . 60 GLY N . 16956 1 605 . 1 1 61 61 ALA H H 1 8.18 0.02 . 1 . . . . 61 ALA H . 16956 1 606 . 1 1 61 61 ALA HA H 1 4.15 0.02 . 1 . . . . 61 ALA HA . 16956 1 607 . 1 1 61 61 ALA HB1 H 1 1.22 0.02 . 1 . . . . 61 ALA HB . 16956 1 608 . 1 1 61 61 ALA HB2 H 1 1.22 0.02 . 1 . . . . 61 ALA HB . 16956 1 609 . 1 1 61 61 ALA HB3 H 1 1.22 0.02 . 1 . . . . 61 ALA HB . 16956 1 610 . 1 1 61 61 ALA C C 13 174.5 0.3 . 1 . . . . 61 ALA C . 16956 1 611 . 1 1 61 61 ALA CA C 13 51.6 0.3 . 1 . . . . 61 ALA CA . 16956 1 612 . 1 1 61 61 ALA CB C 13 17.9 0.3 . 1 . . . . 61 ALA CB . 16956 1 613 . 1 1 61 61 ALA N N 15 126.6 0.3 . 1 . . . . 61 ALA N . 16956 1 614 . 1 1 62 62 ASP H H 1 8.96 0.02 . 1 . . . . 62 ASP H . 16956 1 615 . 1 1 62 62 ASP HA H 1 5.40 0.02 . 1 . . . . 62 ASP HA . 16956 1 616 . 1 1 62 62 ASP HB2 H 1 2.06 0.02 . 2 . . . . 62 ASP HB2 . 16956 1 617 . 1 1 62 62 ASP HB3 H 1 1.88 0.02 . 2 . . . . 62 ASP HB3 . 16956 1 618 . 1 1 62 62 ASP C C 13 174.5 0.3 . 1 . . . . 62 ASP C . 16956 1 619 . 1 1 62 62 ASP CA C 13 53.8 0.3 . 1 . . . . 62 ASP CA . 16956 1 620 . 1 1 62 62 ASP CB C 13 43.2 0.3 . 1 . . . . 62 ASP CB . 16956 1 621 . 1 1 62 62 ASP N N 15 125.0 0.3 . 1 . . . . 62 ASP N . 16956 1 622 . 1 1 63 63 THR H H 1 9.06 0.02 . 1 . . . . 63 THR H . 16956 1 623 . 1 1 63 63 THR HA H 1 4.95 0.02 . 1 . . . . 63 THR HA . 16956 1 624 . 1 1 63 63 THR HB H 1 3.91 0.02 . 1 . . . . 63 THR HB . 16956 1 625 . 1 1 63 63 THR HG21 H 1 1.09 0.02 . 1 . . . . 63 THR HG2 . 16956 1 626 . 1 1 63 63 THR HG22 H 1 1.09 0.02 . 1 . . . . 63 THR HG2 . 16956 1 627 . 1 1 63 63 THR HG23 H 1 1.09 0.02 . 1 . . . . 63 THR HG2 . 16956 1 628 . 1 1 63 63 THR C C 13 172.3 0.3 . 1 . . . . 63 THR C . 16956 1 629 . 1 1 63 63 THR CA C 13 61.4 0.3 . 1 . . . . 63 THR CA . 16956 1 630 . 1 1 63 63 THR CB C 13 70.7 0.3 . 1 . . . . 63 THR CB . 16956 1 631 . 1 1 63 63 THR CG2 C 13 21.5 0.3 . 1 . . . . 63 THR CG2 . 16956 1 632 . 1 1 63 63 THR N N 15 118.5 0.3 . 1 . . . . 63 THR N . 16956 1 633 . 1 1 64 64 PHE H H 1 9.20 0.02 . 1 . . . . 64 PHE H . 16956 1 634 . 1 1 64 64 PHE HA H 1 5.02 0.02 . 1 . . . . 64 PHE HA . 16956 1 635 . 1 1 64 64 PHE HB2 H 1 3.24 0.02 . 2 . . . . 64 PHE HB2 . 16956 1 636 . 1 1 64 64 PHE HB3 H 1 2.81 0.02 . 2 . . . . 64 PHE HB3 . 16956 1 637 . 1 1 64 64 PHE HD2 H 1 7.33 0.02 . 1 . . . . 64 PHE HD2 . 16956 1 638 . 1 1 64 64 PHE HE2 H 1 7.24 0.02 . 1 . . . . 64 PHE HE2 . 16956 1 639 . 1 1 64 64 PHE HZ H 1 7.44 0.02 . 1 . . . . 64 PHE HZ . 16956 1 640 . 1 1 64 64 PHE C C 13 173.3 0.3 . 1 . . . . 64 PHE C . 16956 1 641 . 1 1 64 64 PHE CA C 13 56.1 0.3 . 1 . . . . 64 PHE CA . 16956 1 642 . 1 1 64 64 PHE CB C 13 39.4 0.3 . 1 . . . . 64 PHE CB . 16956 1 643 . 1 1 64 64 PHE CD2 C 13 132.8 0.3 . 1 . . . . 64 PHE CD2 . 16956 1 644 . 1 1 64 64 PHE CE2 C 13 133.4 0.3 . 1 . . . . 64 PHE CE2 . 16956 1 645 . 1 1 64 64 PHE N N 15 127.8 0.3 . 1 . . . . 64 PHE N . 16956 1 646 . 1 1 65 65 ARG H H 1 9.20 0.02 . 1 . . . . 65 ARG H . 16956 1 647 . 1 1 65 65 ARG HA H 1 4.90 0.02 . 1 . . . . 65 ARG HA . 16956 1 648 . 1 1 65 65 ARG HB2 H 1 1.71 0.02 . 2 . . . . 65 ARG HB2 . 16956 1 649 . 1 1 65 65 ARG HB3 H 1 1.41 0.02 . 2 . . . . 65 ARG HB3 . 16956 1 650 . 1 1 65 65 ARG HD2 H 1 2.44 0.02 . 2 . . . . 65 ARG HD2 . 16956 1 651 . 1 1 65 65 ARG HD3 H 1 2.36 0.02 . 2 . . . . 65 ARG HD3 . 16956 1 652 . 1 1 65 65 ARG HG2 H 1 1.43 0.02 . 2 . . . . 65 ARG HG2 . 16956 1 653 . 1 1 65 65 ARG HG3 H 1 1.37 0.02 . 2 . . . . 65 ARG HG3 . 16956 1 654 . 1 1 65 65 ARG C C 13 173.1 0.3 . 1 . . . . 65 ARG C . 16956 1 655 . 1 1 65 65 ARG CA C 13 55.9 0.3 . 1 . . . . 65 ARG CA . 16956 1 656 . 1 1 65 65 ARG CB C 13 34.0 0.3 . 1 . . . . 65 ARG CB . 16956 1 657 . 1 1 65 65 ARG CD C 13 40.6 0.3 . 1 . . . . 65 ARG CD . 16956 1 658 . 1 1 65 65 ARG CG C 13 29.3 0.3 . 1 . . . . 65 ARG CG . 16956 1 659 . 1 1 65 65 ARG N N 15 127.9 0.3 . 1 . . . . 65 ARG N . 16956 1 660 . 1 1 66 66 PHE H H 1 7.87 0.02 . 1 . . . . 66 PHE H . 16956 1 661 . 1 1 66 66 PHE HA H 1 4.95 0.02 . 1 . . . . 66 PHE HA . 16956 1 662 . 1 1 66 66 PHE HB2 H 1 3.05 0.02 . 2 . . . . 66 PHE HB2 . 16956 1 663 . 1 1 66 66 PHE HB3 H 1 2.97 0.02 . 2 . . . . 66 PHE HB3 . 16956 1 664 . 1 1 66 66 PHE HD2 H 1 7.36 0.02 . 1 . . . . 66 PHE HD2 . 16956 1 665 . 1 1 66 66 PHE HE2 H 1 7.57 0.02 . 1 . . . . 66 PHE HE2 . 16956 1 666 . 1 1 66 66 PHE HZ H 1 7.02 0.02 . 1 . . . . 66 PHE HZ . 16956 1 667 . 1 1 66 66 PHE CA C 13 56.6 0.3 . 1 . . . . 66 PHE CA . 16956 1 668 . 1 1 66 66 PHE CB C 13 41.8 0.3 . 1 . . . . 66 PHE CB . 16956 1 669 . 1 1 66 66 PHE CD2 C 13 132.8 0.3 . 1 . . . . 66 PHE CD2 . 16956 1 670 . 1 1 66 66 PHE CZ C 13 128.3 0.3 . 1 . . . . 66 PHE CZ . 16956 1 671 . 1 1 66 66 PHE N N 15 124.6 0.3 . 1 . . . . 66 PHE N . 16956 1 672 . 1 1 67 67 ALA H H 1 9.46 0.02 . 1 . . . . 67 ALA H . 16956 1 673 . 1 1 67 67 ALA HA H 1 4.08 0.02 . 1 . . . . 67 ALA HA . 16956 1 674 . 1 1 67 67 ALA HB1 H 1 1.53 0.02 . 1 . . . . 67 ALA HB . 16956 1 675 . 1 1 67 67 ALA HB2 H 1 1.53 0.02 . 1 . . . . 67 ALA HB . 16956 1 676 . 1 1 67 67 ALA HB3 H 1 1.53 0.02 . 1 . . . . 67 ALA HB . 16956 1 677 . 1 1 67 67 ALA C C 13 176.5 0.3 . 1 . . . . 67 ALA C . 16956 1 678 . 1 1 67 67 ALA CA C 13 54.5 0.3 . 1 . . . . 67 ALA CA . 16956 1 679 . 1 1 67 67 ALA CB C 13 20.4 0.3 . 1 . . . . 67 ALA CB . 16956 1 680 . 1 1 67 67 ALA N N 15 129.5 0.3 . 1 . . . . 67 ALA N . 16956 1 681 . 1 1 68 68 LEU H H 1 7.07 0.02 . 1 . . . . 68 LEU H . 16956 1 682 . 1 1 68 68 LEU HA H 1 4.53 0.02 . 1 . . . . 68 LEU HA . 16956 1 683 . 1 1 68 68 LEU HB2 H 1 1.64 0.02 . 2 . . . . 68 LEU HB2 . 16956 1 684 . 1 1 68 68 LEU HB3 H 1 1.49 0.02 . 2 . . . . 68 LEU HB3 . 16956 1 685 . 1 1 68 68 LEU HD11 H 1 0.97 0.02 . 1 . . . . 68 LEU HD1 . 16956 1 686 . 1 1 68 68 LEU HD12 H 1 0.97 0.02 . 1 . . . . 68 LEU HD1 . 16956 1 687 . 1 1 68 68 LEU HD13 H 1 0.97 0.02 . 1 . . . . 68 LEU HD1 . 16956 1 688 . 1 1 68 68 LEU HD21 H 1 0.90 0.02 . 1 . . . . 68 LEU HD2 . 16956 1 689 . 1 1 68 68 LEU HD22 H 1 0.90 0.02 . 1 . . . . 68 LEU HD2 . 16956 1 690 . 1 1 68 68 LEU HD23 H 1 0.90 0.02 . 1 . . . . 68 LEU HD2 . 16956 1 691 . 1 1 68 68 LEU HG H 1 1.51 0.02 . 1 . . . . 68 LEU HG . 16956 1 692 . 1 1 68 68 LEU C C 13 178.5 0.3 . 1 . . . . 68 LEU C . 16956 1 693 . 1 1 68 68 LEU CA C 13 52.9 0.3 . 1 . . . . 68 LEU CA . 16956 1 694 . 1 1 68 68 LEU CB C 13 45.9 0.3 . 1 . . . . 68 LEU CB . 16956 1 695 . 1 1 68 68 LEU CD1 C 13 24.8 0.3 . 1 . . . . 68 LEU CD1 . 16956 1 696 . 1 1 68 68 LEU CD2 C 13 25.3 0.3 . 1 . . . . 68 LEU CD2 . 16956 1 697 . 1 1 68 68 LEU CG C 13 27.5 0.3 . 1 . . . . 68 LEU CG . 16956 1 698 . 1 1 68 68 LEU N N 15 116.1 0.3 . 1 . . . . 68 LEU N . 16956 1 699 . 1 1 69 69 ARG H H 1 9.49 0.02 . 1 . . . . 69 ARG H . 16956 1 700 . 1 1 69 69 ARG HA H 1 4.16 0.02 . 1 . . . . 69 ARG HA . 16956 1 701 . 1 1 69 69 ARG HB2 H 1 2.02 0.02 . 2 . . . . 69 ARG HB2 . 16956 1 702 . 1 1 69 69 ARG HB3 H 1 1.97 0.02 . 2 . . . . 69 ARG HB3 . 16956 1 703 . 1 1 69 69 ARG HD2 H 1 3.41 0.02 . 2 . . . . 69 ARG HD2 . 16956 1 704 . 1 1 69 69 ARG HD3 H 1 3.19 0.02 . 2 . . . . 69 ARG HD3 . 16956 1 705 . 1 1 69 69 ARG HE H 1 6.28 0.02 . 1 . . . . 69 ARG HE . 16956 1 706 . 1 1 69 69 ARG HG2 H 1 1.41 0.02 . 2 . . . . 69 ARG HG2 . 16956 1 707 . 1 1 69 69 ARG HG3 H 1 0.97 0.02 . 2 . . . . 69 ARG HG3 . 16956 1 708 . 1 1 69 69 ARG C C 13 178.5 0.3 . 1 . . . . 69 ARG C . 16956 1 709 . 1 1 69 69 ARG CA C 13 61.0 0.3 . 1 . . . . 69 ARG CA . 16956 1 710 . 1 1 69 69 ARG CB C 13 30.1 0.3 . 1 . . . . 69 ARG CB . 16956 1 711 . 1 1 69 69 ARG CD C 13 43.4 0.3 . 1 . . . . 69 ARG CD . 16956 1 712 . 1 1 69 69 ARG N N 15 125.3 0.3 . 1 . . . . 69 ARG N . 16956 1 713 . 1 1 69 69 ARG NE N 15 114.5 0.3 . 1 . . . . 69 ARG NE . 16956 1 714 . 1 1 70 70 GLU H H 1 9.43 0.02 . 1 . . . . 70 GLU H . 16956 1 715 . 1 1 70 70 GLU HA H 1 3.84 0.02 . 1 . . . . 70 GLU HA . 16956 1 716 . 1 1 70 70 GLU HB2 H 1 2.04 0.02 . 2 . . . . 70 GLU HB2 . 16956 1 717 . 1 1 70 70 GLU HB3 H 1 1.93 0.02 . 2 . . . . 70 GLU HB3 . 16956 1 718 . 1 1 70 70 GLU HG2 H 1 2.32 0.02 . 2 . . . . 70 GLU HG2 . 16956 1 719 . 1 1 70 70 GLU HG3 H 1 2.11 0.02 . 2 . . . . 70 GLU HG3 . 16956 1 720 . 1 1 70 70 GLU C C 13 177.2 0.3 . 1 . . . . 70 GLU C . 16956 1 721 . 1 1 70 70 GLU CA C 13 58.1 0.3 . 1 . . . . 70 GLU CA . 16956 1 722 . 1 1 70 70 GLU CB C 13 28.9 0.3 . 1 . . . . 70 GLU CB . 16956 1 723 . 1 1 70 70 GLU CG C 13 36.4 0.3 . 1 . . . . 70 GLU CG . 16956 1 724 . 1 1 70 70 GLU N N 15 113.9 0.3 . 1 . . . . 70 GLU N . 16956 1 725 . 1 1 71 71 ASP H H 1 7.76 0.02 . 1 . . . . 71 ASP H . 16956 1 726 . 1 1 71 71 ASP HA H 1 4.62 0.02 . 1 . . . . 71 ASP HA . 16956 1 727 . 1 1 71 71 ASP HB2 H 1 3.22 0.02 . 2 . . . . 71 ASP HB2 . 16956 1 728 . 1 1 71 71 ASP HB3 H 1 3.09 0.02 . 2 . . . . 71 ASP HB3 . 16956 1 729 . 1 1 71 71 ASP C C 13 178.3 0.3 . 1 . . . . 71 ASP C . 16956 1 730 . 1 1 71 71 ASP CA C 13 56.7 0.3 . 1 . . . . 71 ASP CA . 16956 1 731 . 1 1 71 71 ASP CB C 13 39.6 0.3 . 1 . . . . 71 ASP CB . 16956 1 732 . 1 1 71 71 ASP N N 15 120.8 0.3 . 1 . . . . 71 ASP N . 16956 1 733 . 1 1 72 72 SER H H 1 7.72 0.02 . 1 . . . . 72 SER H . 16956 1 734 . 1 1 72 72 SER HA H 1 4.85 0.02 . 1 . . . . 72 SER HA . 16956 1 735 . 1 1 72 72 SER HB2 H 1 4.07 0.02 . 2 . . . . 72 SER HB2 . 16956 1 736 . 1 1 72 72 SER HB3 H 1 3.87 0.02 . 2 . . . . 72 SER HB3 . 16956 1 737 . 1 1 72 72 SER C C 13 170.8 0.3 . 1 . . . . 72 SER C . 16956 1 738 . 1 1 72 72 SER CA C 13 58.4 0.3 . 1 . . . . 72 SER CA . 16956 1 739 . 1 1 72 72 SER CB C 13 62.8 0.3 . 1 . . . . 72 SER CB . 16956 1 740 . 1 1 72 72 SER N N 15 119.4 0.3 . 1 . . . . 72 SER N . 16956 1 741 . 1 1 73 73 HIS H H 1 7.23 0.02 . 1 . . . . 73 HIS H . 16956 1 742 . 1 1 73 73 HIS HA H 1 5.96 0.02 . 1 . . . . 73 HIS HA . 16956 1 743 . 1 1 73 73 HIS HB2 H 1 3.30 0.02 . 2 . . . . 73 HIS HB2 . 16956 1 744 . 1 1 73 73 HIS HB3 H 1 2.99 0.02 . 2 . . . . 73 HIS HB3 . 16956 1 745 . 1 1 73 73 HIS HD2 H 1 6.59 0.02 . 1 . . . . 73 HIS HD2 . 16956 1 746 . 1 1 73 73 HIS HE1 H 1 7.63 0.02 . 1 . . . . 73 HIS HE1 . 16956 1 747 . 1 1 73 73 HIS C C 13 171.7 0.3 . 1 . . . . 73 HIS C . 16956 1 748 . 1 1 73 73 HIS CA C 13 55.7 0.3 . 1 . . . . 73 HIS CA . 16956 1 749 . 1 1 73 73 HIS CB C 13 33.6 0.3 . 1 . . . . 73 HIS CB . 16956 1 750 . 1 1 73 73 HIS CD2 C 13 128.9 0.3 . 1 . . . . 73 HIS CD2 . 16956 1 751 . 1 1 73 73 HIS CE1 C 13 138.2 0.3 . 1 . . . . 73 HIS CE1 . 16956 1 752 . 1 1 73 73 HIS N N 15 121.3 0.3 . 1 . . . . 73 HIS N . 16956 1 753 . 1 1 74 74 ARG H H 1 9.55 0.02 . 1 . . . . 74 ARG H . 16956 1 754 . 1 1 74 74 ARG HA H 1 5.01 0.02 . 1 . . . . 74 ARG HA . 16956 1 755 . 1 1 74 74 ARG HB2 H 1 1.91 0.02 . 2 . . . . 74 ARG HB2 . 16956 1 756 . 1 1 74 74 ARG HB3 H 1 1.66 0.02 . 2 . . . . 74 ARG HB3 . 16956 1 757 . 1 1 74 74 ARG HD2 H 1 3.30 0.02 . 2 . . . . 74 ARG HD2 . 16956 1 758 . 1 1 74 74 ARG HD3 H 1 3.02 0.02 . 2 . . . . 74 ARG HD3 . 16956 1 759 . 1 1 74 74 ARG HG2 H 1 1.47 0.02 . 2 . . . . 74 ARG HG2 . 16956 1 760 . 1 1 74 74 ARG HG3 H 1 1.45 0.02 . 2 . . . . 74 ARG HG3 . 16956 1 761 . 1 1 74 74 ARG C C 13 173.7 0.3 . 1 . . . . 74 ARG C . 16956 1 762 . 1 1 74 74 ARG CA C 13 54.7 0.3 . 1 . . . . 74 ARG CA . 16956 1 763 . 1 1 74 74 ARG CB C 13 33.1 0.3 . 1 . . . . 74 ARG CB . 16956 1 764 . 1 1 74 74 ARG CD C 13 43.0 0.3 . 1 . . . . 74 ARG CD . 16956 1 765 . 1 1 74 74 ARG CG C 13 26.1 0.3 . 1 . . . . 74 ARG CG . 16956 1 766 . 1 1 74 74 ARG N N 15 118.5 0.3 . 1 . . . . 74 ARG N . 16956 1 767 . 1 1 75 75 SER H H 1 9.51 0.02 . 1 . . . . 75 SER H . 16956 1 768 . 1 1 75 75 SER HA H 1 5.59 0.02 . 1 . . . . 75 SER HA . 16956 1 769 . 1 1 75 75 SER HB2 H 1 4.56 0.02 . 2 . . . . 75 SER HB2 . 16956 1 770 . 1 1 75 75 SER HB3 H 1 4.02 0.02 . 2 . . . . 75 SER HB3 . 16956 1 771 . 1 1 75 75 SER C C 13 173.6 0.3 . 1 . . . . 75 SER C . 16956 1 772 . 1 1 75 75 SER CA C 13 56.3 0.3 . 1 . . . . 75 SER CA . 16956 1 773 . 1 1 75 75 SER CB C 13 66.5 0.3 . 1 . . . . 75 SER CB . 16956 1 774 . 1 1 75 75 SER N N 15 123.2 0.3 . 1 . . . . 75 SER N . 16956 1 775 . 1 1 76 76 PRO HA H 1 4.53 0.02 . 1 . . . . 76 PRO HA . 16956 1 776 . 1 1 76 76 PRO HB2 H 1 2.58 0.02 . 2 . . . . 76 PRO HB2 . 16956 1 777 . 1 1 76 76 PRO HB3 H 1 1.89 0.02 . 2 . . . . 76 PRO HB3 . 16956 1 778 . 1 1 76 76 PRO HD2 H 1 4.18 0.02 . 2 . . . . 76 PRO HD2 . 16956 1 779 . 1 1 76 76 PRO HD3 H 1 3.84 0.02 . 2 . . . . 76 PRO HD3 . 16956 1 780 . 1 1 76 76 PRO HG2 H 1 2.31 0.02 . 2 . . . . 76 PRO HG2 . 16956 1 781 . 1 1 76 76 PRO HG3 H 1 2.05 0.02 . 2 . . . . 76 PRO HG3 . 16956 1 782 . 1 1 76 76 PRO C C 13 177.1 0.3 . 1 . . . . 76 PRO C . 16956 1 783 . 1 1 76 76 PRO CA C 13 65.1 0.3 . 1 . . . . 76 PRO CA . 16956 1 784 . 1 1 76 76 PRO CB C 13 32.1 0.3 . 1 . . . . 76 PRO CB . 16956 1 785 . 1 1 76 76 PRO CD C 13 51.5 0.3 . 1 . . . . 76 PRO CD . 16956 1 786 . 1 1 77 77 LEU H H 1 8.27 0.02 . 1 . . . . 77 LEU H . 16956 1 787 . 1 1 77 77 LEU HA H 1 4.44 0.02 . 1 . . . . 77 LEU HA . 16956 1 788 . 1 1 77 77 LEU HB2 H 1 1.83 0.02 . 2 . . . . 77 LEU HB2 . 16956 1 789 . 1 1 77 77 LEU HB3 H 1 1.71 0.02 . 2 . . . . 77 LEU HB3 . 16956 1 790 . 1 1 77 77 LEU HD11 H 1 0.96 0.02 . 1 . . . . 77 LEU HD1 . 16956 1 791 . 1 1 77 77 LEU HD12 H 1 0.96 0.02 . 1 . . . . 77 LEU HD1 . 16956 1 792 . 1 1 77 77 LEU HD13 H 1 0.96 0.02 . 1 . . . . 77 LEU HD1 . 16956 1 793 . 1 1 77 77 LEU HD21 H 1 0.90 0.02 . 1 . . . . 77 LEU HD2 . 16956 1 794 . 1 1 77 77 LEU HD22 H 1 0.90 0.02 . 1 . . . . 77 LEU HD2 . 16956 1 795 . 1 1 77 77 LEU HD23 H 1 0.90 0.02 . 1 . . . . 77 LEU HD2 . 16956 1 796 . 1 1 77 77 LEU HG H 1 1.51 0.02 . 1 . . . . 77 LEU HG . 16956 1 797 . 1 1 77 77 LEU C C 13 177.3 0.3 . 1 . . . . 77 LEU C . 16956 1 798 . 1 1 77 77 LEU CA C 13 55.2 0.3 . 1 . . . . 77 LEU CA . 16956 1 799 . 1 1 77 77 LEU CB C 13 42.3 0.3 . 1 . . . . 77 LEU CB . 16956 1 800 . 1 1 77 77 LEU CD1 C 13 23.7 0.3 . 1 . . . . 77 LEU CD1 . 16956 1 801 . 1 1 77 77 LEU CD2 C 13 24.9 0.3 . 1 . . . . 77 LEU CD2 . 16956 1 802 . 1 1 77 77 LEU CG C 13 26.9 0.3 . 1 . . . . 77 LEU CG . 16956 1 803 . 1 1 77 77 LEU N N 15 115.3 0.3 . 1 . . . . 77 LEU N . 16956 1 804 . 1 1 78 78 GLY H H 1 7.93 0.02 . 1 . . . . 78 GLY H . 16956 1 805 . 1 1 78 78 GLY HA2 H 1 4.17 0.02 . 2 . . . . 78 GLY HA2 . 16956 1 806 . 1 1 78 78 GLY HA3 H 1 3.81 0.02 . 2 . . . . 78 GLY HA3 . 16956 1 807 . 1 1 78 78 GLY C C 13 170.9 0.3 . 1 . . . . 78 GLY C . 16956 1 808 . 1 1 78 78 GLY CA C 13 45.1 0.3 . 1 . . . . 78 GLY CA . 16956 1 809 . 1 1 78 78 GLY N N 15 108.3 0.3 . 1 . . . . 78 GLY N . 16956 1 810 . 1 1 79 79 THR H H 1 7.86 0.02 . 1 . . . . 79 THR H . 16956 1 811 . 1 1 79 79 THR HA H 1 4.35 0.02 . 1 . . . . 79 THR HA . 16956 1 812 . 1 1 79 79 THR HB H 1 4.03 0.02 . 1 . . . . 79 THR HB . 16956 1 813 . 1 1 79 79 THR HG21 H 1 1.12 0.02 . 1 . . . . 79 THR HG2 . 16956 1 814 . 1 1 79 79 THR HG22 H 1 1.12 0.02 . 1 . . . . 79 THR HG2 . 16956 1 815 . 1 1 79 79 THR HG23 H 1 1.12 0.02 . 1 . . . . 79 THR HG2 . 16956 1 816 . 1 1 79 79 THR C C 13 172.8 0.3 . 1 . . . . 79 THR C . 16956 1 817 . 1 1 79 79 THR CA C 13 60.0 0.3 . 1 . . . . 79 THR CA . 16956 1 818 . 1 1 79 79 THR CB C 13 69.2 0.3 . 1 . . . . 79 THR CB . 16956 1 819 . 1 1 79 79 THR CG2 C 13 20.4 0.3 . 1 . . . . 79 THR CG2 . 16956 1 820 . 1 1 79 79 THR N N 15 112.4 0.3 . 1 . . . . 79 THR N . 16956 1 821 . 1 1 80 80 PHE H H 1 8.43 0.02 . 1 . . . . 80 PHE H . 16956 1 822 . 1 1 80 80 PHE HA H 1 4.47 0.02 . 1 . . . . 80 PHE HA . 16956 1 823 . 1 1 80 80 PHE HB2 H 1 3.04 0.02 . 2 . . . . 80 PHE HB2 . 16956 1 824 . 1 1 80 80 PHE HB3 H 1 1.92 0.02 . 2 . . . . 80 PHE HB3 . 16956 1 825 . 1 1 80 80 PHE HD2 H 1 7.00 0.02 . 1 . . . . 80 PHE HD2 . 16956 1 826 . 1 1 80 80 PHE HE2 H 1 7.18 0.02 . 1 . . . . 80 PHE HE2 . 16956 1 827 . 1 1 80 80 PHE HZ H 1 7.10 0.02 . 1 . . . . 80 PHE HZ . 16956 1 828 . 1 1 80 80 PHE C C 13 176.3 0.3 . 1 . . . . 80 PHE C . 16956 1 829 . 1 1 80 80 PHE CA C 13 56.5 0.3 . 1 . . . . 80 PHE CA . 16956 1 830 . 1 1 80 80 PHE CB C 13 38.2 0.3 . 1 . . . . 80 PHE CB . 16956 1 831 . 1 1 80 80 PHE CE2 C 13 130.8 0.3 . 1 . . . . 80 PHE CE2 . 16956 1 832 . 1 1 80 80 PHE CZ C 13 128.8 0.3 . 1 . . . . 80 PHE CZ . 16956 1 833 . 1 1 80 80 PHE N N 15 127.8 0.3 . 1 . . . . 80 PHE N . 16956 1 834 . 1 1 81 81 GLY H H 1 7.97 0.02 . 1 . . . . 81 GLY H . 16956 1 835 . 1 1 81 81 GLY HA2 H 1 4.05 0.02 . 2 . . . . 81 GLY HA2 . 16956 1 836 . 1 1 81 81 GLY HA3 H 1 3.35 0.02 . 2 . . . . 81 GLY HA3 . 16956 1 837 . 1 1 81 81 GLY C C 13 173.6 0.3 . 1 . . . . 81 GLY C . 16956 1 838 . 1 1 81 81 GLY CA C 13 45.6 0.3 . 1 . . . . 81 GLY CA . 16956 1 839 . 1 1 81 81 GLY N N 15 108.8 0.3 . 1 . . . . 81 GLY N . 16956 1 840 . 1 1 82 82 ASP H H 1 9.55 0.02 . 1 . . . . 82 ASP H . 16956 1 841 . 1 1 82 82 ASP HA H 1 5.10 0.02 . 1 . . . . 82 ASP HA . 16956 1 842 . 1 1 82 82 ASP HB2 H 1 3.03 0.02 . 2 . . . . 82 ASP HB2 . 16956 1 843 . 1 1 82 82 ASP HB3 H 1 2.68 0.02 . 2 . . . . 82 ASP HB3 . 16956 1 844 . 1 1 82 82 ASP C C 13 174.8 0.3 . 1 . . . . 82 ASP C . 16956 1 845 . 1 1 82 82 ASP CA C 13 54.3 0.3 . 1 . . . . 82 ASP CA . 16956 1 846 . 1 1 82 82 ASP CB C 13 41.0 0.3 . 1 . . . . 82 ASP CB . 16956 1 847 . 1 1 82 82 ASP N N 15 126.4 0.3 . 1 . . . . 82 ASP N . 16956 1 848 . 1 1 83 83 ARG H H 1 8.49 0.02 . 1 . . . . 83 ARG H . 16956 1 849 . 1 1 83 83 ARG HA H 1 5.40 0.02 . 1 . . . . 83 ARG HA . 16956 1 850 . 1 1 83 83 ARG HB2 H 1 1.73 0.02 . 2 . . . . 83 ARG HB2 . 16956 1 851 . 1 1 83 83 ARG HB3 H 1 1.59 0.02 . 2 . . . . 83 ARG HB3 . 16956 1 852 . 1 1 83 83 ARG HD2 H 1 3.19 0.02 . 2 . . . . 83 ARG HD2 . 16956 1 853 . 1 1 83 83 ARG HD3 H 1 3.02 0.02 . 2 . . . . 83 ARG HD3 . 16956 1 854 . 1 1 83 83 ARG HG2 H 1 1.67 0.02 . 2 . . . . 83 ARG HG2 . 16956 1 855 . 1 1 83 83 ARG HG3 H 1 1.45 0.02 . 2 . . . . 83 ARG HG3 . 16956 1 856 . 1 1 83 83 ARG C C 13 175.3 0.3 . 1 . . . . 83 ARG C . 16956 1 857 . 1 1 83 83 ARG CA C 13 53.6 0.3 . 1 . . . . 83 ARG CA . 16956 1 858 . 1 1 83 83 ARG CB C 13 34.1 0.3 . 1 . . . . 83 ARG CB . 16956 1 859 . 1 1 83 83 ARG CD C 13 43.5 0.3 . 1 . . . . 83 ARG CD . 16956 1 860 . 1 1 83 83 ARG CG C 13 27.1 0.3 . 1 . . . . 83 ARG CG . 16956 1 861 . 1 1 83 83 ARG N N 15 118.4 0.3 . 1 . . . . 83 ARG N . 16956 1 862 . 1 1 84 84 ILE H H 1 9.18 0.02 . 1 . . . . 84 ILE H . 16956 1 863 . 1 1 84 84 ILE HA H 1 4.57 0.02 . 1 . . . . 84 ILE HA . 16956 1 864 . 1 1 84 84 ILE HB H 1 1.53 0.02 . 1 . . . . 84 ILE HB . 16956 1 865 . 1 1 84 84 ILE HD11 H 1 0.45 0.02 . 1 . . . . 84 ILE HD1 . 16956 1 866 . 1 1 84 84 ILE HD12 H 1 0.45 0.02 . 1 . . . . 84 ILE HD1 . 16956 1 867 . 1 1 84 84 ILE HD13 H 1 0.45 0.02 . 1 . . . . 84 ILE HD1 . 16956 1 868 . 1 1 84 84 ILE HG12 H 1 1.53 0.02 . 2 . . . . 84 ILE HG12 . 16956 1 869 . 1 1 84 84 ILE HG13 H 1 1.49 0.02 . 2 . . . . 84 ILE HG13 . 16956 1 870 . 1 1 84 84 ILE HG21 H 1 0.21 0.02 . 1 . . . . 84 ILE HG2 . 16956 1 871 . 1 1 84 84 ILE HG22 H 1 0.21 0.02 . 1 . . . . 84 ILE HG2 . 16956 1 872 . 1 1 84 84 ILE HG23 H 1 0.21 0.02 . 1 . . . . 84 ILE HG2 . 16956 1 873 . 1 1 84 84 ILE C C 13 178.1 0.3 . 1 . . . . 84 ILE C . 16956 1 874 . 1 1 84 84 ILE CA C 13 60.7 0.3 . 1 . . . . 84 ILE CA . 16956 1 875 . 1 1 84 84 ILE CB C 13 38.2 0.3 . 1 . . . . 84 ILE CB . 16956 1 876 . 1 1 84 84 ILE CD1 C 13 13.3 0.3 . 1 . . . . 84 ILE CD1 . 16956 1 877 . 1 1 84 84 ILE CG1 C 13 27.3 0.3 . 1 . . . . 84 ILE CG1 . 16956 1 878 . 1 1 84 84 ILE CG2 C 13 17.2 0.3 . 1 . . . . 84 ILE CG2 . 16956 1 879 . 1 1 84 84 ILE N N 15 125.2 0.3 . 1 . . . . 84 ILE N . 16956 1 880 . 1 1 85 85 LEU H H 1 9.36 0.02 . 1 . . . . 85 LEU H . 16956 1 881 . 1 1 85 85 LEU HA H 1 4.17 0.02 . 1 . . . . 85 LEU HA . 16956 1 882 . 1 1 85 85 LEU HB2 H 1 1.74 0.02 . 2 . . . . 85 LEU HB2 . 16956 1 883 . 1 1 85 85 LEU HB3 H 1 1.66 0.02 . 2 . . . . 85 LEU HB3 . 16956 1 884 . 1 1 85 85 LEU HD11 H 1 0.87 0.02 . 1 . . . . 85 LEU HD1 . 16956 1 885 . 1 1 85 85 LEU HD12 H 1 0.87 0.02 . 1 . . . . 85 LEU HD1 . 16956 1 886 . 1 1 85 85 LEU HD13 H 1 0.87 0.02 . 1 . . . . 85 LEU HD1 . 16956 1 887 . 1 1 85 85 LEU HD21 H 1 0.80 0.02 . 1 . . . . 85 LEU HD2 . 16956 1 888 . 1 1 85 85 LEU HD22 H 1 0.80 0.02 . 1 . . . . 85 LEU HD2 . 16956 1 889 . 1 1 85 85 LEU HD23 H 1 0.80 0.02 . 1 . . . . 85 LEU HD2 . 16956 1 890 . 1 1 85 85 LEU HG H 1 1.61 0.02 . 1 . . . . 85 LEU HG . 16956 1 891 . 1 1 85 85 LEU C C 13 177.2 0.3 . 1 . . . . 85 LEU C . 16956 1 892 . 1 1 85 85 LEU CA C 13 57.7 0.3 . 1 . . . . 85 LEU CA . 16956 1 893 . 1 1 85 85 LEU CB C 13 41.7 0.3 . 1 . . . . 85 LEU CB . 16956 1 894 . 1 1 85 85 LEU CD1 C 13 25.1 0.3 . 1 . . . . 85 LEU CD1 . 16956 1 895 . 1 1 85 85 LEU CD2 C 13 23.1 0.3 . 1 . . . . 85 LEU CD2 . 16956 1 896 . 1 1 85 85 LEU CG C 13 27.4 0.3 . 1 . . . . 85 LEU CG . 16956 1 897 . 1 1 85 85 LEU N N 15 130.2 0.3 . 1 . . . . 85 LEU N . 16956 1 898 . 1 1 86 86 ASP H H 1 8.00 0.02 . 1 . . . . 86 ASP H . 16956 1 899 . 1 1 86 86 ASP HA H 1 4.88 0.02 . 1 . . . . 86 ASP HA . 16956 1 900 . 1 1 86 86 ASP HB2 H 1 2.95 0.02 . 2 . . . . 86 ASP HB2 . 16956 1 901 . 1 1 86 86 ASP HB3 H 1 2.40 0.02 . 2 . . . . 86 ASP HB3 . 16956 1 902 . 1 1 86 86 ASP C C 13 175.3 0.3 . 1 . . . . 86 ASP C . 16956 1 903 . 1 1 86 86 ASP CA C 13 52.4 0.3 . 1 . . . . 86 ASP CA . 16956 1 904 . 1 1 86 86 ASP CB C 13 40.1 0.3 . 1 . . . . 86 ASP CB . 16956 1 905 . 1 1 86 86 ASP N N 15 122.1 0.3 . 1 . . . . 86 ASP N . 16956 1 906 . 1 1 87 87 PHE H H 1 9.36 0.02 . 1 . . . . 87 PHE H . 16956 1 907 . 1 1 87 87 PHE HA H 1 4.23 0.02 . 1 . . . . 87 PHE HA . 16956 1 908 . 1 1 87 87 PHE HB2 H 1 2.66 0.02 . 2 . . . . 87 PHE HB2 . 16956 1 909 . 1 1 87 87 PHE HB3 H 1 2.35 0.02 . 2 . . . . 87 PHE HB3 . 16956 1 910 . 1 1 87 87 PHE HD2 H 1 6.55 0.02 . 1 . . . . 87 PHE HD2 . 16956 1 911 . 1 1 87 87 PHE HE2 H 1 6.96 0.02 . 1 . . . . 87 PHE HE2 . 16956 1 912 . 1 1 87 87 PHE HZ H 1 7.08 0.02 . 1 . . . . 87 PHE HZ . 16956 1 913 . 1 1 87 87 PHE C C 13 174.9 0.3 . 1 . . . . 87 PHE C . 16956 1 914 . 1 1 87 87 PHE CA C 13 59.8 0.3 . 1 . . . . 87 PHE CA . 16956 1 915 . 1 1 87 87 PHE CB C 13 40.2 0.3 . 1 . . . . 87 PHE CB . 16956 1 916 . 1 1 87 87 PHE CD2 C 13 133.6 0.3 . 1 . . . . 87 PHE CD2 . 16956 1 917 . 1 1 87 87 PHE CZ C 13 128.3 0.3 . 1 . . . . 87 PHE CZ . 16956 1 918 . 1 1 87 87 PHE N N 15 123.1 0.3 . 1 . . . . 87 PHE N . 16956 1 919 . 1 1 88 88 ASP H H 1 9.08 0.02 . 1 . . . . 88 ASP H . 16956 1 920 . 1 1 88 88 ASP HA H 1 5.05 0.02 . 1 . . . . 88 ASP HA . 16956 1 921 . 1 1 88 88 ASP HB2 H 1 2.87 0.02 . 2 . . . . 88 ASP HB2 . 16956 1 922 . 1 1 88 88 ASP HB3 H 1 2.58 0.02 . 2 . . . . 88 ASP HB3 . 16956 1 923 . 1 1 88 88 ASP CA C 13 49.0 0.3 . 1 . . . . 88 ASP CA . 16956 1 924 . 1 1 88 88 ASP CB C 13 40.1 0.3 . 1 . . . . 88 ASP CB . 16956 1 925 . 1 1 88 88 ASP N N 15 127.6 0.3 . 1 . . . . 88 ASP N . 16956 1 926 . 1 1 89 89 PRO HA H 1 3.90 0.02 . 1 . . . . 89 PRO HA . 16956 1 927 . 1 1 89 89 PRO HB2 H 1 2.25 0.02 . 2 . . . . 89 PRO HB2 . 16956 1 928 . 1 1 89 89 PRO HB3 H 1 2.15 0.02 . 2 . . . . 89 PRO HB3 . 16956 1 929 . 1 1 89 89 PRO HD2 H 1 4.01 0.02 . 2 . . . . 89 PRO HD2 . 16956 1 930 . 1 1 89 89 PRO HD3 H 1 3.66 0.02 . 2 . . . . 89 PRO HD3 . 16956 1 931 . 1 1 89 89 PRO C C 13 176.7 0.3 . 1 . . . . 89 PRO C . 16956 1 932 . 1 1 89 89 PRO CA C 13 63.8 0.3 . 1 . . . . 89 PRO CA . 16956 1 933 . 1 1 89 89 PRO CB C 13 32.9 0.3 . 1 . . . . 89 PRO CB . 16956 1 934 . 1 1 89 89 PRO CD C 13 51.5 0.3 . 1 . . . . 89 PRO CD . 16956 1 935 . 1 1 90 90 SER H H 1 8.30 0.02 . 1 . . . . 90 SER H . 16956 1 936 . 1 1 90 90 SER HA H 1 4.45 0.02 . 1 . . . . 90 SER HA . 16956 1 937 . 1 1 90 90 SER HB2 H 1 4.03 0.02 . 2 . . . . 90 SER HB2 . 16956 1 938 . 1 1 90 90 SER HB3 H 1 3.99 0.02 . 2 . . . . 90 SER HB3 . 16956 1 939 . 1 1 90 90 SER C C 13 174.3 0.3 . 1 . . . . 90 SER C . 16956 1 940 . 1 1 90 90 SER CA C 13 59.7 0.3 . 1 . . . . 90 SER CA . 16956 1 941 . 1 1 90 90 SER CB C 13 64.3 0.3 . 1 . . . . 90 SER CB . 16956 1 942 . 1 1 90 90 SER N N 15 113.4 0.3 . 1 . . . . 90 SER N . 16956 1 943 . 1 1 91 91 GLN H H 1 7.42 0.02 . 1 . . . . 91 GLN H . 16956 1 944 . 1 1 91 91 GLN HA H 1 4.61 0.02 . 1 . . . . 91 GLN HA . 16956 1 945 . 1 1 91 91 GLN HB2 H 1 1.92 0.02 . 2 . . . . 91 GLN HB2 . 16956 1 946 . 1 1 91 91 GLN HB3 H 1 1.73 0.02 . 2 . . . . 91 GLN HB3 . 16956 1 947 . 1 1 91 91 GLN HE21 H 1 7.41 0.02 . 1 . . . . 91 GLN HE21 . 16956 1 948 . 1 1 91 91 GLN HE22 H 1 6.86 0.02 . 1 . . . . 91 GLN HE22 . 16956 1 949 . 1 1 91 91 GLN HG2 H 1 2.25 0.02 . 2 . . . . 91 GLN HG2 . 16956 1 950 . 1 1 91 91 GLN HG3 H 1 2.09 0.02 . 2 . . . . 91 GLN HG3 . 16956 1 951 . 1 1 91 91 GLN C C 13 174.6 0.3 . 1 . . . . 91 GLN C . 16956 1 952 . 1 1 91 91 GLN CA C 13 57.2 0.3 . 1 . . . . 91 GLN CA . 16956 1 953 . 1 1 91 91 GLN CB C 13 32.6 0.3 . 1 . . . . 91 GLN CB . 16956 1 954 . 1 1 91 91 GLN CG C 13 33.1 0.3 . 1 . . . . 91 GLN CG . 16956 1 955 . 1 1 91 91 GLN N N 15 118.4 0.3 . 1 . . . . 91 GLN N . 16956 1 956 . 1 1 91 91 GLN NE2 N 15 112.1 0.3 . 1 . . . . 91 GLN NE2 . 16956 1 957 . 1 1 92 92 ASP H H 1 8.48 0.02 . 1 . . . . 92 ASP H . 16956 1 958 . 1 1 92 92 ASP HA H 1 5.24 0.02 . 1 . . . . 92 ASP HA . 16956 1 959 . 1 1 92 92 ASP HB2 H 1 3.09 0.02 . 2 . . . . 92 ASP HB2 . 16956 1 960 . 1 1 92 92 ASP HB3 H 1 2.29 0.02 . 2 . . . . 92 ASP HB3 . 16956 1 961 . 1 1 92 92 ASP C C 13 174.6 0.3 . 1 . . . . 92 ASP C . 16956 1 962 . 1 1 92 92 ASP CA C 13 54.0 0.3 . 1 . . . . 92 ASP CA . 16956 1 963 . 1 1 92 92 ASP CB C 13 44.0 0.3 . 1 . . . . 92 ASP CB . 16956 1 964 . 1 1 92 92 ASP N N 15 119.5 0.3 . 1 . . . . 92 ASP N . 16956 1 965 . 1 1 93 93 ARG H H 1 9.12 0.02 . 1 . . . . 93 ARG H . 16956 1 966 . 1 1 93 93 ARG HA H 1 5.69 0.02 . 1 . . . . 93 ARG HA . 16956 1 967 . 1 1 93 93 ARG HB2 H 1 1.69 0.02 . 2 . . . . 93 ARG HB2 . 16956 1 968 . 1 1 93 93 ARG HB3 H 1 1.63 0.02 . 2 . . . . 93 ARG HB3 . 16956 1 969 . 1 1 93 93 ARG HD2 H 1 3.08 0.02 . 2 . . . . 93 ARG HD2 . 16956 1 970 . 1 1 93 93 ARG HD3 H 1 3.01 0.02 . 2 . . . . 93 ARG HD3 . 16956 1 971 . 1 1 93 93 ARG HG2 H 1 1.63 0.02 . 2 . . . . 93 ARG HG2 . 16956 1 972 . 1 1 93 93 ARG HG3 H 1 1.52 0.02 . 2 . . . . 93 ARG HG3 . 16956 1 973 . 1 1 93 93 ARG C C 13 175.7 0.3 . 1 . . . . 93 ARG C . 16956 1 974 . 1 1 93 93 ARG CA C 13 54.5 0.3 . 1 . . . . 93 ARG CA . 16956 1 975 . 1 1 93 93 ARG CB C 13 34.9 0.3 . 1 . . . . 93 ARG CB . 16956 1 976 . 1 1 93 93 ARG CD C 13 43.4 0.3 . 1 . . . . 93 ARG CD . 16956 1 977 . 1 1 93 93 ARG CG C 13 27.3 0.3 . 1 . . . . 93 ARG CG . 16956 1 978 . 1 1 93 93 ARG N N 15 114.2 0.3 . 1 . . . . 93 ARG N . 16956 1 979 . 1 1 94 94 ILE H H 1 9.06 0.02 . 1 . . . . 94 ILE H . 16956 1 980 . 1 1 94 94 ILE HA H 1 4.99 0.02 . 1 . . . . 94 ILE HA . 16956 1 981 . 1 1 94 94 ILE HB H 1 1.82 0.02 . 1 . . . . 94 ILE HB . 16956 1 982 . 1 1 94 94 ILE HD11 H 1 0.20 0.02 . 1 . . . . 94 ILE HD1 . 16956 1 983 . 1 1 94 94 ILE HD12 H 1 0.20 0.02 . 1 . . . . 94 ILE HD1 . 16956 1 984 . 1 1 94 94 ILE HD13 H 1 0.20 0.02 . 1 . . . . 94 ILE HD1 . 16956 1 985 . 1 1 94 94 ILE HG12 H 1 1.75 0.02 . 2 . . . . 94 ILE HG12 . 16956 1 986 . 1 1 94 94 ILE HG13 H 1 0.84 0.02 . 2 . . . . 94 ILE HG13 . 16956 1 987 . 1 1 94 94 ILE HG21 H 1 0.93 0.02 . 1 . . . . 94 ILE HG2 . 16956 1 988 . 1 1 94 94 ILE HG22 H 1 0.93 0.02 . 1 . . . . 94 ILE HG2 . 16956 1 989 . 1 1 94 94 ILE HG23 H 1 0.93 0.02 . 1 . . . . 94 ILE HG2 . 16956 1 990 . 1 1 94 94 ILE C C 13 174.2 0.3 . 1 . . . . 94 ILE C . 16956 1 991 . 1 1 94 94 ILE CA C 13 60.4 0.3 . 1 . . . . 94 ILE CA . 16956 1 992 . 1 1 94 94 ILE CB C 13 39.4 0.3 . 1 . . . . 94 ILE CB . 16956 1 993 . 1 1 94 94 ILE CD1 C 13 13.9 0.3 . 1 . . . . 94 ILE CD1 . 16956 1 994 . 1 1 94 94 ILE CG1 C 13 28.6 0.3 . 1 . . . . 94 ILE CG1 . 16956 1 995 . 1 1 94 94 ILE CG2 C 13 17.6 0.3 . 1 . . . . 94 ILE CG2 . 16956 1 996 . 1 1 94 94 ILE N N 15 123.6 0.3 . 1 . . . . 94 ILE N . 16956 1 997 . 1 1 95 95 ASP H H 1 9.60 0.02 . 1 . . . . 95 ASP H . 16956 1 998 . 1 1 95 95 ASP HA H 1 5.14 0.02 . 1 . . . . 95 ASP HA . 16956 1 999 . 1 1 95 95 ASP HB2 H 1 2.78 0.02 . 2 . . . . 95 ASP HB2 . 16956 1 1000 . 1 1 95 95 ASP HB3 H 1 2.22 0.02 . 2 . . . . 95 ASP HB3 . 16956 1 1001 . 1 1 95 95 ASP C C 13 176.2 0.3 . 1 . . . . 95 ASP C . 16956 1 1002 . 1 1 95 95 ASP CA C 13 53.6 0.3 . 1 . . . . 95 ASP CA . 16956 1 1003 . 1 1 95 95 ASP CB C 13 41.8 0.3 . 1 . . . . 95 ASP CB . 16956 1 1004 . 1 1 95 95 ASP N N 15 127.2 0.3 . 1 . . . . 95 ASP N . 16956 1 1005 . 1 1 96 96 VAL H H 1 8.10 0.02 . 1 . . . . 96 VAL H . 16956 1 1006 . 1 1 96 96 VAL HA H 1 4.85 0.02 . 1 . . . . 96 VAL HA . 16956 1 1007 . 1 1 96 96 VAL HB H 1 2.66 0.02 . 1 . . . . 96 VAL HB . 16956 1 1008 . 1 1 96 96 VAL HG11 H 1 0.77 0.02 . 1 . . . . 96 VAL HG1 . 16956 1 1009 . 1 1 96 96 VAL HG12 H 1 0.77 0.02 . 1 . . . . 96 VAL HG1 . 16956 1 1010 . 1 1 96 96 VAL HG13 H 1 0.77 0.02 . 1 . . . . 96 VAL HG1 . 16956 1 1011 . 1 1 96 96 VAL HG21 H 1 0.57 0.02 . 1 . . . . 96 VAL HG2 . 16956 1 1012 . 1 1 96 96 VAL HG22 H 1 0.57 0.02 . 1 . . . . 96 VAL HG2 . 16956 1 1013 . 1 1 96 96 VAL HG23 H 1 0.57 0.02 . 1 . . . . 96 VAL HG2 . 16956 1 1014 . 1 1 96 96 VAL C C 13 177.3 0.3 . 1 . . . . 96 VAL C . 16956 1 1015 . 1 1 96 96 VAL CA C 13 59.8 0.3 . 1 . . . . 96 VAL CA . 16956 1 1016 . 1 1 96 96 VAL CB C 13 31.2 0.3 . 1 . . . . 96 VAL CB . 16956 1 1017 . 1 1 96 96 VAL CG1 C 13 22.0 0.3 . 1 . . . . 96 VAL CG1 . 16956 1 1018 . 1 1 96 96 VAL CG2 C 13 19.5 0.3 . 1 . . . . 96 VAL CG2 . 16956 1 1019 . 1 1 96 96 VAL N N 15 118.7 0.3 . 1 . . . . 96 VAL N . 16956 1 1020 . 1 1 97 97 SER H H 1 9.04 0.02 . 1 . . . . 97 SER H . 16956 1 1021 . 1 1 97 97 SER HA H 1 4.95 0.02 . 1 . . . . 97 SER HA . 16956 1 1022 . 1 1 97 97 SER HB2 H 1 3.79 0.02 . 2 . . . . 97 SER HB2 . 16956 1 1023 . 1 1 97 97 SER HB3 H 1 3.67 0.02 . 2 . . . . 97 SER HB3 . 16956 1 1024 . 1 1 97 97 SER C C 13 176.1 0.3 . 1 . . . . 97 SER C . 16956 1 1025 . 1 1 97 97 SER CA C 13 56.5 0.3 . 1 . . . . 97 SER CA . 16956 1 1026 . 1 1 97 97 SER CB C 13 63.5 0.3 . 1 . . . . 97 SER CB . 16956 1 1027 . 1 1 97 97 SER N N 15 123.9 0.3 . 1 . . . . 97 SER N . 16956 1 1028 . 1 1 98 98 ALA H H 1 8.90 0.02 . 1 . . . . 98 ALA H . 16956 1 1029 . 1 1 98 98 ALA HA H 1 4.48 0.02 . 1 . . . . 98 ALA HA . 16956 1 1030 . 1 1 98 98 ALA HB1 H 1 1.47 0.02 . 1 . . . . 98 ALA HB . 16956 1 1031 . 1 1 98 98 ALA HB2 H 1 1.47 0.02 . 1 . . . . 98 ALA HB . 16956 1 1032 . 1 1 98 98 ALA HB3 H 1 1.47 0.02 . 1 . . . . 98 ALA HB . 16956 1 1033 . 1 1 98 98 ALA C C 13 179.1 0.3 . 1 . . . . 98 ALA C . 16956 1 1034 . 1 1 98 98 ALA CA C 13 53.0 0.3 . 1 . . . . 98 ALA CA . 16956 1 1035 . 1 1 98 98 ALA CB C 13 18.9 0.3 . 1 . . . . 98 ALA CB . 16956 1 1036 . 1 1 98 98 ALA N N 15 125.2 0.3 . 1 . . . . 98 ALA N . 16956 1 1037 . 1 1 99 99 LEU H H 1 7.97 0.02 . 1 . . . . 99 LEU H . 16956 1 1038 . 1 1 99 99 LEU HA H 1 4.06 0.02 . 1 . . . . 99 LEU HA . 16956 1 1039 . 1 1 99 99 LEU HB2 H 1 1.83 0.02 . 2 . . . . 99 LEU HB2 . 16956 1 1040 . 1 1 99 99 LEU HB3 H 1 1.07 0.02 . 2 . . . . 99 LEU HB3 . 16956 1 1041 . 1 1 99 99 LEU HD11 H 1 0.40 0.02 . 1 . . . . 99 LEU HD1 . 16956 1 1042 . 1 1 99 99 LEU HD12 H 1 0.40 0.02 . 1 . . . . 99 LEU HD1 . 16956 1 1043 . 1 1 99 99 LEU HD13 H 1 0.40 0.02 . 1 . . . . 99 LEU HD1 . 16956 1 1044 . 1 1 99 99 LEU HD21 H 1 0.38 0.02 . 1 . . . . 99 LEU HD2 . 16956 1 1045 . 1 1 99 99 LEU HD22 H 1 0.38 0.02 . 1 . . . . 99 LEU HD2 . 16956 1 1046 . 1 1 99 99 LEU HD23 H 1 0.38 0.02 . 1 . . . . 99 LEU HD2 . 16956 1 1047 . 1 1 99 99 LEU HG H 1 1.34 0.02 . 1 . . . . 99 LEU HG . 16956 1 1048 . 1 1 99 99 LEU C C 13 177.2 0.3 . 1 . . . . 99 LEU C . 16956 1 1049 . 1 1 99 99 LEU CA C 13 54.7 0.3 . 1 . . . . 99 LEU CA . 16956 1 1050 . 1 1 99 99 LEU CB C 13 41.9 0.3 . 1 . . . . 99 LEU CB . 16956 1 1051 . 1 1 99 99 LEU CD1 C 13 27.0 0.3 . 1 . . . . 99 LEU CD1 . 16956 1 1052 . 1 1 99 99 LEU CD2 C 13 22.5 0.3 . 1 . . . . 99 LEU CD2 . 16956 1 1053 . 1 1 99 99 LEU CG C 13 26.9 0.3 . 1 . . . . 99 LEU CG . 16956 1 1054 . 1 1 99 99 LEU N N 15 114.9 0.3 . 1 . . . . 99 LEU N . 16956 1 1055 . 1 1 100 100 GLY H H 1 7.90 0.02 . 1 . . . . 100 GLY H . 16956 1 1056 . 1 1 100 100 GLY HA2 H 1 3.77 0.02 . 2 . . . . 100 GLY HA2 . 16956 1 1057 . 1 1 100 100 GLY HA3 H 1 3.66 0.02 . 2 . . . . 100 GLY HA3 . 16956 1 1058 . 1 1 100 100 GLY C C 13 174.0 0.3 . 1 . . . . 100 GLY C . 16956 1 1059 . 1 1 100 100 GLY CA C 13 46.4 0.3 . 1 . . . . 100 GLY CA . 16956 1 1060 . 1 1 100 100 GLY N N 15 106.8 0.3 . 1 . . . . 100 GLY N . 16956 1 1061 . 1 1 101 101 PHE H H 1 7.77 0.02 . 1 . . . . 101 PHE H . 16956 1 1062 . 1 1 101 101 PHE HA H 1 5.43 0.02 . 1 . . . . 101 PHE HA . 16956 1 1063 . 1 1 101 101 PHE HB2 H 1 3.27 0.02 . 2 . . . . 101 PHE HB2 . 16956 1 1064 . 1 1 101 101 PHE HB3 H 1 2.92 0.02 . 2 . . . . 101 PHE HB3 . 16956 1 1065 . 1 1 101 101 PHE HD2 H 1 6.93 0.02 . 1 . . . . 101 PHE HD2 . 16956 1 1066 . 1 1 101 101 PHE HE2 H 1 7.25 0.02 . 1 . . . . 101 PHE HE2 . 16956 1 1067 . 1 1 101 101 PHE C C 13 176.0 0.3 . 1 . . . . 101 PHE C . 16956 1 1068 . 1 1 101 101 PHE CA C 13 56.6 0.3 . 1 . . . . 101 PHE CA . 16956 1 1069 . 1 1 101 101 PHE CB C 13 40.2 0.3 . 1 . . . . 101 PHE CB . 16956 1 1070 . 1 1 101 101 PHE CD2 C 13 130.0 0.3 . 1 . . . . 101 PHE CD2 . 16956 1 1071 . 1 1 101 101 PHE CZ C 13 129.5 0.3 . 1 . . . . 101 PHE CZ . 16956 1 1072 . 1 1 101 101 PHE N N 15 118.7 0.3 . 1 . . . . 101 PHE N . 16956 1 1073 . 1 1 102 102 SER H H 1 9.32 0.02 . 1 . . . . 102 SER H . 16956 1 1074 . 1 1 102 102 SER HA H 1 4.53 0.02 . 1 . . . . 102 SER HA . 16956 1 1075 . 1 1 102 102 SER HB2 H 1 3.87 0.02 . 2 . . . . 102 SER HB2 . 16956 1 1076 . 1 1 102 102 SER HB3 H 1 3.72 0.02 . 2 . . . . 102 SER HB3 . 16956 1 1077 . 1 1 102 102 SER C C 13 174.2 0.3 . 1 . . . . 102 SER C . 16956 1 1078 . 1 1 102 102 SER CA C 13 58.4 0.3 . 1 . . . . 102 SER CA . 16956 1 1079 . 1 1 102 102 SER CB C 13 64.4 0.3 . 1 . . . . 102 SER CB . 16956 1 1080 . 1 1 102 102 SER N N 15 116.2 0.3 . 1 . . . . 102 SER N . 16956 1 1081 . 1 1 103 103 GLY H H 1 6.64 0.02 . 1 . . . . 103 GLY H . 16956 1 1082 . 1 1 103 103 GLY HA2 H 1 3.57 0.02 . 2 . . . . 103 GLY HA2 . 16956 1 1083 . 1 1 103 103 GLY HA3 H 1 1.70 0.02 . 2 . . . . 103 GLY HA3 . 16956 1 1084 . 1 1 103 103 GLY C C 13 171.6 0.3 . 1 . . . . 103 GLY C . 16956 1 1085 . 1 1 103 103 GLY CA C 13 44.1 0.3 . 1 . . . . 103 GLY CA . 16956 1 1086 . 1 1 103 103 GLY N N 15 110.0 0.3 . 1 . . . . 103 GLY N . 16956 1 1087 . 1 1 104 104 LEU H H 1 8.32 0.02 . 1 . . . . 104 LEU H . 16956 1 1088 . 1 1 104 104 LEU HA H 1 5.10 0.02 . 1 . . . . 104 LEU HA . 16956 1 1089 . 1 1 104 104 LEU HB2 H 1 1.81 0.02 . 2 . . . . 104 LEU HB2 . 16956 1 1090 . 1 1 104 104 LEU HB3 H 1 1.62 0.02 . 2 . . . . 104 LEU HB3 . 16956 1 1091 . 1 1 104 104 LEU HD11 H 1 0.83 0.02 . 1 . . . . 104 LEU HD1 . 16956 1 1092 . 1 1 104 104 LEU HD12 H 1 0.83 0.02 . 1 . . . . 104 LEU HD1 . 16956 1 1093 . 1 1 104 104 LEU HD13 H 1 0.83 0.02 . 1 . . . . 104 LEU HD1 . 16956 1 1094 . 1 1 104 104 LEU HD21 H 1 0.88 0.02 . 1 . . . . 104 LEU HD2 . 16956 1 1095 . 1 1 104 104 LEU HD22 H 1 0.88 0.02 . 1 . . . . 104 LEU HD2 . 16956 1 1096 . 1 1 104 104 LEU HD23 H 1 0.88 0.02 . 1 . . . . 104 LEU HD2 . 16956 1 1097 . 1 1 104 104 LEU HG H 1 1.67 0.02 . 1 . . . . 104 LEU HG . 16956 1 1098 . 1 1 104 104 LEU C C 13 178.5 0.3 . 1 . . . . 104 LEU C . 16956 1 1099 . 1 1 104 104 LEU CA C 13 53.8 0.3 . 1 . . . . 104 LEU CA . 16956 1 1100 . 1 1 104 104 LEU CB C 13 42.4 0.3 . 1 . . . . 104 LEU CB . 16956 1 1101 . 1 1 104 104 LEU CD1 C 13 24.3 0.3 . 1 . . . . 104 LEU CD1 . 16956 1 1102 . 1 1 104 104 LEU CD2 C 13 23.5 0.3 . 1 . . . . 104 LEU CD2 . 16956 1 1103 . 1 1 104 104 LEU CG C 13 27.3 0.3 . 1 . . . . 104 LEU CG . 16956 1 1104 . 1 1 104 104 LEU N N 15 119.8 0.3 . 1 . . . . 104 LEU N . 16956 1 1105 . 1 1 105 105 GLY H H 1 8.99 0.02 . 1 . . . . 105 GLY H . 16956 1 1106 . 1 1 105 105 GLY HA2 H 1 4.11 0.02 . 2 . . . . 105 GLY HA2 . 16956 1 1107 . 1 1 105 105 GLY HA3 H 1 3.92 0.02 . 2 . . . . 105 GLY HA3 . 16956 1 1108 . 1 1 105 105 GLY C C 13 171.9 0.3 . 1 . . . . 105 GLY C . 16956 1 1109 . 1 1 105 105 GLY CA C 13 47.1 0.3 . 1 . . . . 105 GLY CA . 16956 1 1110 . 1 1 105 105 GLY N N 15 112.3 0.3 . 1 . . . . 105 GLY N . 16956 1 1111 . 1 1 106 106 ASN H H 1 8.39 0.02 . 1 . . . . 106 ASN H . 16956 1 1112 . 1 1 106 106 ASN HA H 1 4.82 0.02 . 1 . . . . 106 ASN HA . 16956 1 1113 . 1 1 106 106 ASN HB2 H 1 3.45 0.02 . 2 . . . . 106 ASN HB2 . 16956 1 1114 . 1 1 106 106 ASN HB3 H 1 3.00 0.02 . 2 . . . . 106 ASN HB3 . 16956 1 1115 . 1 1 106 106 ASN HD21 H 1 7.76 0.02 . 1 . . . . 106 ASN HD21 . 16956 1 1116 . 1 1 106 106 ASN HD22 H 1 7.12 0.02 . 1 . . . . 106 ASN HD22 . 16956 1 1117 . 1 1 106 106 ASN C C 13 176.2 0.3 . 1 . . . . 106 ASN C . 16956 1 1118 . 1 1 106 106 ASN CA C 13 52.3 0.3 . 1 . . . . 106 ASN CA . 16956 1 1119 . 1 1 106 106 ASN CB C 13 38.2 0.3 . 1 . . . . 106 ASN CB . 16956 1 1120 . 1 1 106 106 ASN N N 15 124.5 0.3 . 1 . . . . 106 ASN N . 16956 1 1121 . 1 1 106 106 ASN ND2 N 15 111.0 0.3 . 1 . . . . 106 ASN ND2 . 16956 1 1122 . 1 1 107 107 GLY H H 1 8.25 0.02 . 1 . . . . 107 GLY H . 16956 1 1123 . 1 1 107 107 GLY HA2 H 1 4.15 0.02 . 2 . . . . 107 GLY HA2 . 16956 1 1124 . 1 1 107 107 GLY HA3 H 1 3.69 0.02 . 2 . . . . 107 GLY HA3 . 16956 1 1125 . 1 1 107 107 GLY C C 13 172.6 0.3 . 1 . . . . 107 GLY C . 16956 1 1126 . 1 1 107 107 GLY CA C 13 46.0 0.3 . 1 . . . . 107 GLY CA . 16956 1 1127 . 1 1 107 107 GLY N N 15 107.7 0.3 . 1 . . . . 107 GLY N . 16956 1 1128 . 1 1 108 108 TYR H H 1 8.00 0.02 . 1 . . . . 108 TYR H . 16956 1 1129 . 1 1 108 108 TYR HA H 1 4.87 0.02 . 1 . . . . 108 TYR HA . 16956 1 1130 . 1 1 108 108 TYR HB2 H 1 3.19 0.02 . 2 . . . . 108 TYR HB2 . 16956 1 1131 . 1 1 108 108 TYR HB3 H 1 2.86 0.02 . 2 . . . . 108 TYR HB3 . 16956 1 1132 . 1 1 108 108 TYR HD2 H 1 7.02 0.02 . 1 . . . . 108 TYR HD2 . 16956 1 1133 . 1 1 108 108 TYR HE2 H 1 6.72 0.02 . 1 . . . . 108 TYR HE2 . 16956 1 1134 . 1 1 108 108 TYR C C 13 176.9 0.3 . 1 . . . . 108 TYR C . 16956 1 1135 . 1 1 108 108 TYR CA C 13 56.9 0.3 . 1 . . . . 108 TYR CA . 16956 1 1136 . 1 1 108 108 TYR CB C 13 40.5 0.3 . 1 . . . . 108 TYR CB . 16956 1 1137 . 1 1 108 108 TYR CD2 C 13 132.7 0.3 . 1 . . . . 108 TYR CD2 . 16956 1 1138 . 1 1 108 108 TYR CE2 C 13 118.3 0.3 . 1 . . . . 108 TYR CE2 . 16956 1 1139 . 1 1 108 108 TYR N N 15 117.0 0.3 . 1 . . . . 108 TYR N . 16956 1 1140 . 1 1 109 109 ALA H H 1 9.75 0.02 . 1 . . . . 109 ALA H . 16956 1 1141 . 1 1 109 109 ALA HA H 1 4.21 0.02 . 1 . . . . 109 ALA HA . 16956 1 1142 . 1 1 109 109 ALA HB1 H 1 1.50 0.02 . 1 . . . . 109 ALA HB . 16956 1 1143 . 1 1 109 109 ALA HB2 H 1 1.50 0.02 . 1 . . . . 109 ALA HB . 16956 1 1144 . 1 1 109 109 ALA HB3 H 1 1.50 0.02 . 1 . . . . 109 ALA HB . 16956 1 1145 . 1 1 109 109 ALA C C 13 177.9 0.3 . 1 . . . . 109 ALA C . 16956 1 1146 . 1 1 109 109 ALA CA C 13 53.1 0.3 . 1 . . . . 109 ALA CA . 16956 1 1147 . 1 1 109 109 ALA CB C 13 17.0 0.3 . 1 . . . . 109 ALA CB . 16956 1 1148 . 1 1 109 109 ALA N N 15 126.3 0.3 . 1 . . . . 109 ALA N . 16956 1 1149 . 1 1 110 110 GLY H H 1 9.46 0.02 . 1 . . . . 110 GLY H . 16956 1 1150 . 1 1 110 110 GLY HA2 H 1 4.42 0.02 . 2 . . . . 110 GLY HA2 . 16956 1 1151 . 1 1 110 110 GLY HA3 H 1 3.99 0.02 . 2 . . . . 110 GLY HA3 . 16956 1 1152 . 1 1 110 110 GLY C C 13 172.9 0.3 . 1 . . . . 110 GLY C . 16956 1 1153 . 1 1 110 110 GLY CA C 13 46.1 0.3 . 1 . . . . 110 GLY CA . 16956 1 1154 . 1 1 110 110 GLY N N 15 108.2 0.3 . 1 . . . . 110 GLY N . 16956 1 1155 . 1 1 111 111 SER H H 1 7.83 0.02 . 1 . . . . 111 SER H . 16956 1 1156 . 1 1 111 111 SER HA H 1 5.23 0.02 . 1 . . . . 111 SER HA . 16956 1 1157 . 1 1 111 111 SER HB2 H 1 3.94 0.02 . 2 . . . . 111 SER HB2 . 16956 1 1158 . 1 1 111 111 SER HB3 H 1 3.68 0.02 . 2 . . . . 111 SER HB3 . 16956 1 1159 . 1 1 111 111 SER C C 13 173.1 0.3 . 1 . . . . 111 SER C . 16956 1 1160 . 1 1 111 111 SER CA C 13 56.7 0.3 . 1 . . . . 111 SER CA . 16956 1 1161 . 1 1 111 111 SER CB C 13 67.5 0.3 . 1 . . . . 111 SER CB . 16956 1 1162 . 1 1 111 111 SER N N 15 115.5 0.3 . 1 . . . . 111 SER N . 16956 1 1163 . 1 1 112 112 LEU H H 1 8.23 0.02 . 1 . . . . 112 LEU H . 16956 1 1164 . 1 1 112 112 LEU HA H 1 4.62 0.02 . 1 . . . . 112 LEU HA . 16956 1 1165 . 1 1 112 112 LEU HB2 H 1 1.37 0.02 . 2 . . . . 112 LEU HB2 . 16956 1 1166 . 1 1 112 112 LEU HB3 H 1 1.01 0.02 . 2 . . . . 112 LEU HB3 . 16956 1 1167 . 1 1 112 112 LEU HD11 H 1 0.53 0.02 . 1 . . . . 112 LEU HD1 . 16956 1 1168 . 1 1 112 112 LEU HD12 H 1 0.53 0.02 . 1 . . . . 112 LEU HD1 . 16956 1 1169 . 1 1 112 112 LEU HD13 H 1 0.53 0.02 . 1 . . . . 112 LEU HD1 . 16956 1 1170 . 1 1 112 112 LEU HD21 H 1 -0.15 0.02 . 1 . . . . 112 LEU HD2 . 16956 1 1171 . 1 1 112 112 LEU HD22 H 1 -0.15 0.02 . 1 . . . . 112 LEU HD2 . 16956 1 1172 . 1 1 112 112 LEU HD23 H 1 -0.15 0.02 . 1 . . . . 112 LEU HD2 . 16956 1 1173 . 1 1 112 112 LEU HG H 1 1.01 0.02 . 1 . . . . 112 LEU HG . 16956 1 1174 . 1 1 112 112 LEU C C 13 174.9 0.3 . 1 . . . . 112 LEU C . 16956 1 1175 . 1 1 112 112 LEU CA C 13 52.4 0.3 . 1 . . . . 112 LEU CA . 16956 1 1176 . 1 1 112 112 LEU CB C 13 45.6 0.3 . 1 . . . . 112 LEU CB . 16956 1 1177 . 1 1 112 112 LEU CD1 C 13 25.2 0.3 . 1 . . . . 112 LEU CD1 . 16956 1 1178 . 1 1 112 112 LEU CD2 C 13 23.5 0.3 . 1 . . . . 112 LEU CD2 . 16956 1 1179 . 1 1 112 112 LEU CG C 13 25.3 0.3 . 1 . . . . 112 LEU CG . 16956 1 1180 . 1 1 112 112 LEU N N 15 117.0 0.3 . 1 . . . . 112 LEU N . 16956 1 1181 . 1 1 113 113 ALA H H 1 9.17 0.02 . 1 . . . . 113 ALA H . 16956 1 1182 . 1 1 113 113 ALA HA H 1 4.96 0.02 . 1 . . . . 113 ALA HA . 16956 1 1183 . 1 1 113 113 ALA HB1 H 1 1.15 0.02 . 1 . . . . 113 ALA HB . 16956 1 1184 . 1 1 113 113 ALA HB2 H 1 1.15 0.02 . 1 . . . . 113 ALA HB . 16956 1 1185 . 1 1 113 113 ALA HB3 H 1 1.15 0.02 . 1 . . . . 113 ALA HB . 16956 1 1186 . 1 1 113 113 ALA C C 13 177.4 0.3 . 1 . . . . 113 ALA C . 16956 1 1187 . 1 1 113 113 ALA CA C 13 50.1 0.3 . 1 . . . . 113 ALA CA . 16956 1 1188 . 1 1 113 113 ALA CB C 13 20.5 0.3 . 1 . . . . 113 ALA CB . 16956 1 1189 . 1 1 113 113 ALA N N 15 124.7 0.3 . 1 . . . . 113 ALA N . 16956 1 1190 . 1 1 114 114 VAL H H 1 8.69 0.02 . 1 . . . . 114 VAL H . 16956 1 1191 . 1 1 114 114 VAL HA H 1 5.17 0.02 . 1 . . . . 114 VAL HA . 16956 1 1192 . 1 1 114 114 VAL HB H 1 1.98 0.02 . 1 . . . . 114 VAL HB . 16956 1 1193 . 1 1 114 114 VAL HG11 H 1 1.02 0.02 . 1 . . . . 114 VAL HG1 . 16956 1 1194 . 1 1 114 114 VAL HG12 H 1 1.02 0.02 . 1 . . . . 114 VAL HG1 . 16956 1 1195 . 1 1 114 114 VAL HG13 H 1 1.02 0.02 . 1 . . . . 114 VAL HG1 . 16956 1 1196 . 1 1 114 114 VAL HG21 H 1 1.00 0.02 . 1 . . . . 114 VAL HG2 . 16956 1 1197 . 1 1 114 114 VAL HG22 H 1 1.00 0.02 . 1 . . . . 114 VAL HG2 . 16956 1 1198 . 1 1 114 114 VAL HG23 H 1 1.00 0.02 . 1 . . . . 114 VAL HG2 . 16956 1 1199 . 1 1 114 114 VAL C C 13 176.0 0.3 . 1 . . . . 114 VAL C . 16956 1 1200 . 1 1 114 114 VAL CA C 13 60.6 0.3 . 1 . . . . 114 VAL CA . 16956 1 1201 . 1 1 114 114 VAL CB C 13 33.8 0.3 . 1 . . . . 114 VAL CB . 16956 1 1202 . 1 1 114 114 VAL CG1 C 13 22.6 0.3 . 1 . . . . 114 VAL CG1 . 16956 1 1203 . 1 1 114 114 VAL CG2 C 13 21.7 0.3 . 1 . . . . 114 VAL CG2 . 16956 1 1204 . 1 1 114 114 VAL N N 15 123.4 0.3 . 1 . . . . 114 VAL N . 16956 1 1205 . 1 1 115 115 SER H H 1 9.00 0.02 . 1 . . . . 115 SER H . 16956 1 1206 . 1 1 115 115 SER HA H 1 4.90 0.02 . 1 . . . . 115 SER HA . 16956 1 1207 . 1 1 115 115 SER HB2 H 1 3.91 0.02 . 2 . . . . 115 SER HB2 . 16956 1 1208 . 1 1 115 115 SER HB3 H 1 3.85 0.02 . 2 . . . . 115 SER HB3 . 16956 1 1209 . 1 1 115 115 SER C C 13 172.1 0.3 . 1 . . . . 115 SER C . 16956 1 1210 . 1 1 115 115 SER CA C 13 56.9 0.3 . 1 . . . . 115 SER CA . 16956 1 1211 . 1 1 115 115 SER CB C 13 65.9 0.3 . 1 . . . . 115 SER CB . 16956 1 1212 . 1 1 115 115 SER N N 15 121.9 0.3 . 1 . . . . 115 SER N . 16956 1 1213 . 1 1 116 116 VAL H H 1 8.70 0.02 . 1 . . . . 116 VAL H . 16956 1 1214 . 1 1 116 116 VAL HA H 1 5.22 0.02 . 1 . . . . 116 VAL HA . 16956 1 1215 . 1 1 116 116 VAL HB H 1 2.01 0.02 . 1 . . . . 116 VAL HB . 16956 1 1216 . 1 1 116 116 VAL HG11 H 1 1.16 0.02 . 1 . . . . 116 VAL HG1 . 16956 1 1217 . 1 1 116 116 VAL HG12 H 1 1.16 0.02 . 1 . . . . 116 VAL HG1 . 16956 1 1218 . 1 1 116 116 VAL HG13 H 1 1.16 0.02 . 1 . . . . 116 VAL HG1 . 16956 1 1219 . 1 1 116 116 VAL HG21 H 1 1.10 0.02 . 1 . . . . 116 VAL HG2 . 16956 1 1220 . 1 1 116 116 VAL HG22 H 1 1.10 0.02 . 1 . . . . 116 VAL HG2 . 16956 1 1221 . 1 1 116 116 VAL HG23 H 1 1.10 0.02 . 1 . . . . 116 VAL HG2 . 16956 1 1222 . 1 1 116 116 VAL C C 13 176.5 0.3 . 1 . . . . 116 VAL C . 16956 1 1223 . 1 1 116 116 VAL CA C 13 60.6 0.3 . 1 . . . . 116 VAL CA . 16956 1 1224 . 1 1 116 116 VAL CB C 13 34.5 0.3 . 1 . . . . 116 VAL CB . 16956 1 1225 . 1 1 116 116 VAL CG1 C 13 20.8 0.3 . 1 . . . . 116 VAL CG1 . 16956 1 1226 . 1 1 116 116 VAL CG2 C 13 21.1 0.3 . 1 . . . . 116 VAL CG2 . 16956 1 1227 . 1 1 116 116 VAL N N 15 121.3 0.3 . 1 . . . . 116 VAL N . 16956 1 1228 . 1 1 117 117 SER H H 1 9.24 0.02 . 1 . . . . 117 SER H . 16956 1 1229 . 1 1 117 117 SER HA H 1 4.52 0.02 . 1 . . . . 117 SER HA . 16956 1 1230 . 1 1 117 117 SER HB2 H 1 4.03 0.02 . 2 . . . . 117 SER HB2 . 16956 1 1231 . 1 1 117 117 SER HB3 H 1 3.99 0.02 . 2 . . . . 117 SER HB3 . 16956 1 1232 . 1 1 117 117 SER CA C 13 58.6 0.3 . 1 . . . . 117 SER CA . 16956 1 1233 . 1 1 117 117 SER CB C 13 64.5 0.3 . 1 . . . . 117 SER CB . 16956 1 1234 . 1 1 117 117 SER N N 15 122.4 0.3 . 1 . . . . 117 SER N . 16956 1 1235 . 1 1 118 118 ASP HA H 1 4.68 0.02 . 1 . . . . 118 ASP HA . 16956 1 1236 . 1 1 118 118 ASP HB2 H 1 3.39 0.02 . 2 . . . . 118 ASP HB2 . 16956 1 1237 . 1 1 118 118 ASP HB3 H 1 2.80 0.02 . 2 . . . . 118 ASP HB3 . 16956 1 1238 . 1 1 118 118 ASP CA C 13 52.3 0.3 . 1 . . . . 118 ASP CA . 16956 1 1239 . 1 1 118 118 ASP CB C 13 40.8 0.3 . 1 . . . . 118 ASP CB . 16956 1 1240 . 1 1 119 119 ASP HA H 1 4.57 0.02 . 1 . . . . 119 ASP HA . 16956 1 1241 . 1 1 119 119 ASP HB2 H 1 3.09 0.02 . 2 . . . . 119 ASP HB2 . 16956 1 1242 . 1 1 119 119 ASP HB3 H 1 2.68 0.02 . 2 . . . . 119 ASP HB3 . 16956 1 1243 . 1 1 119 119 ASP C C 13 177.3 0.3 . 1 . . . . 119 ASP C . 16956 1 1244 . 1 1 119 119 ASP CA C 13 53.0 0.3 . 1 . . . . 119 ASP CA . 16956 1 1245 . 1 1 119 119 ASP CB C 13 40.4 0.3 . 1 . . . . 119 ASP CB . 16956 1 1246 . 1 1 120 120 GLY H H 1 8.21 0.02 . 1 . . . . 120 GLY H . 16956 1 1247 . 1 1 120 120 GLY HA2 H 1 4.12 0.02 . 2 . . . . 120 GLY HA2 . 16956 1 1248 . 1 1 120 120 GLY HA3 H 1 3.68 0.02 . 2 . . . . 120 GLY HA3 . 16956 1 1249 . 1 1 120 120 GLY C C 13 174.9 0.3 . 1 . . . . 120 GLY C . 16956 1 1250 . 1 1 120 120 GLY CA C 13 45.9 0.3 . 1 . . . . 120 GLY CA . 16956 1 1251 . 1 1 120 120 GLY N N 15 109.1 0.3 . 1 . . . . 120 GLY N . 16956 1 1252 . 1 1 121 121 THR H H 1 7.72 0.02 . 1 . . . . 121 THR H . 16956 1 1253 . 1 1 121 121 THR HA H 1 4.24 0.02 . 1 . . . . 121 THR HA . 16956 1 1254 . 1 1 121 121 THR HB H 1 3.92 0.02 . 1 . . . . 121 THR HB . 16956 1 1255 . 1 1 121 121 THR HG21 H 1 1.10 0.02 . 1 . . . . 121 THR HG2 . 16956 1 1256 . 1 1 121 121 THR HG22 H 1 1.10 0.02 . 1 . . . . 121 THR HG2 . 16956 1 1257 . 1 1 121 121 THR HG23 H 1 1.10 0.02 . 1 . . . . 121 THR HG2 . 16956 1 1258 . 1 1 121 121 THR C C 13 174.8 0.3 . 1 . . . . 121 THR C . 16956 1 1259 . 1 1 121 121 THR CA C 13 62.8 0.3 . 1 . . . . 121 THR CA . 16956 1 1260 . 1 1 121 121 THR CB C 13 70.9 0.3 . 1 . . . . 121 THR CB . 16956 1 1261 . 1 1 121 121 THR CG2 C 13 21.6 0.3 . 1 . . . . 121 THR CG2 . 16956 1 1262 . 1 1 121 121 THR N N 15 107.9 0.3 . 1 . . . . 121 THR N . 16956 1 1263 . 1 1 122 122 ARG H H 1 7.82 0.02 . 1 . . . . 122 ARG H . 16956 1 1264 . 1 1 122 122 ARG HA H 1 5.17 0.02 . 1 . . . . 122 ARG HA . 16956 1 1265 . 1 1 122 122 ARG HB2 H 1 1.51 0.02 . 2 . . . . 122 ARG HB2 . 16956 1 1266 . 1 1 122 122 ARG HB3 H 1 1.36 0.02 . 2 . . . . 122 ARG HB3 . 16956 1 1267 . 1 1 122 122 ARG HD2 H 1 3.00 0.02 . 2 . . . . 122 ARG HD2 . 16956 1 1268 . 1 1 122 122 ARG HD3 H 1 2.89 0.02 . 2 . . . . 122 ARG HD3 . 16956 1 1269 . 1 1 122 122 ARG HG2 H 1 1.51 0.02 . 2 . . . . 122 ARG HG2 . 16956 1 1270 . 1 1 122 122 ARG HG3 H 1 1.34 0.02 . 2 . . . . 122 ARG HG3 . 16956 1 1271 . 1 1 122 122 ARG C C 13 173.9 0.3 . 1 . . . . 122 ARG C . 16956 1 1272 . 1 1 122 122 ARG CA C 13 55.4 0.3 . 1 . . . . 122 ARG CA . 16956 1 1273 . 1 1 122 122 ARG CB C 13 34.9 0.3 . 1 . . . . 122 ARG CB . 16956 1 1274 . 1 1 122 122 ARG CD C 13 43.6 0.3 . 1 . . . . 122 ARG CD . 16956 1 1275 . 1 1 122 122 ARG CG C 13 27.5 0.3 . 1 . . . . 122 ARG CG . 16956 1 1276 . 1 1 122 122 ARG N N 15 122.6 0.3 . 1 . . . . 122 ARG N . 16956 1 1277 . 1 1 123 123 THR H H 1 9.24 0.02 . 1 . . . . 123 THR H . 16956 1 1278 . 1 1 123 123 THR HA H 1 5.03 0.02 . 1 . . . . 123 THR HA . 16956 1 1279 . 1 1 123 123 THR HB H 1 3.93 0.02 . 1 . . . . 123 THR HB . 16956 1 1280 . 1 1 123 123 THR HG21 H 1 1.10 0.02 . 1 . . . . 123 THR HG2 . 16956 1 1281 . 1 1 123 123 THR HG22 H 1 1.10 0.02 . 1 . . . . 123 THR HG2 . 16956 1 1282 . 1 1 123 123 THR HG23 H 1 1.10 0.02 . 1 . . . . 123 THR HG2 . 16956 1 1283 . 1 1 123 123 THR C C 13 171.8 0.3 . 1 . . . . 123 THR C . 16956 1 1284 . 1 1 123 123 THR CA C 13 61.5 0.3 . 1 . . . . 123 THR CA . 16956 1 1285 . 1 1 123 123 THR CB C 13 71.0 0.3 . 1 . . . . 123 THR CB . 16956 1 1286 . 1 1 123 123 THR CG2 C 13 22.2 0.3 . 1 . . . . 123 THR CG2 . 16956 1 1287 . 1 1 123 123 THR N N 15 118.6 0.3 . 1 . . . . 123 THR N . 16956 1 1288 . 1 1 124 124 TYR H H 1 9.63 0.02 . 1 . . . . 124 TYR H . 16956 1 1289 . 1 1 124 124 TYR HA H 1 5.25 0.02 . 1 . . . . 124 TYR HA . 16956 1 1290 . 1 1 124 124 TYR HB2 H 1 2.76 0.02 . 2 . . . . 124 TYR HB2 . 16956 1 1291 . 1 1 124 124 TYR HB3 H 1 2.51 0.02 . 2 . . . . 124 TYR HB3 . 16956 1 1292 . 1 1 124 124 TYR HD2 H 1 6.79 0.02 . 1 . . . . 124 TYR HD2 . 16956 1 1293 . 1 1 124 124 TYR HE2 H 1 6.59 0.02 . 1 . . . . 124 TYR HE2 . 16956 1 1294 . 1 1 124 124 TYR C C 13 174.4 0.3 . 1 . . . . 124 TYR C . 16956 1 1295 . 1 1 124 124 TYR CA C 13 56.5 0.3 . 1 . . . . 124 TYR CA . 16956 1 1296 . 1 1 124 124 TYR CB C 13 41.3 0.3 . 1 . . . . 124 TYR CB . 16956 1 1297 . 1 1 124 124 TYR CD2 C 13 133.0 0.3 . 1 . . . . 124 TYR CD2 . 16956 1 1298 . 1 1 124 124 TYR CE2 C 13 117.9 0.3 . 1 . . . . 124 TYR CE2 . 16956 1 1299 . 1 1 124 124 TYR N N 15 124.7 0.3 . 1 . . . . 124 TYR N . 16956 1 1300 . 1 1 125 125 LEU H H 1 8.34 0.02 . 1 . . . . 125 LEU H . 16956 1 1301 . 1 1 125 125 LEU HA H 1 5.12 0.02 . 1 . . . . 125 LEU HA . 16956 1 1302 . 1 1 125 125 LEU HB2 H 1 1.29 0.02 . 2 . . . . 125 LEU HB2 . 16956 1 1303 . 1 1 125 125 LEU HB3 H 1 1.24 0.02 . 2 . . . . 125 LEU HB3 . 16956 1 1304 . 1 1 125 125 LEU HD11 H 1 0.66 0.02 . 1 . . . . 125 LEU HD1 . 16956 1 1305 . 1 1 125 125 LEU HD12 H 1 0.66 0.02 . 1 . . . . 125 LEU HD1 . 16956 1 1306 . 1 1 125 125 LEU HD13 H 1 0.66 0.02 . 1 . . . . 125 LEU HD1 . 16956 1 1307 . 1 1 125 125 LEU HD21 H 1 0.59 0.02 . 1 . . . . 125 LEU HD2 . 16956 1 1308 . 1 1 125 125 LEU HD22 H 1 0.59 0.02 . 1 . . . . 125 LEU HD2 . 16956 1 1309 . 1 1 125 125 LEU HD23 H 1 0.59 0.02 . 1 . . . . 125 LEU HD2 . 16956 1 1310 . 1 1 125 125 LEU HG H 1 1.29 0.02 . 1 . . . . 125 LEU HG . 16956 1 1311 . 1 1 125 125 LEU C C 13 175.7 0.3 . 1 . . . . 125 LEU C . 16956 1 1312 . 1 1 125 125 LEU CA C 13 53.7 0.3 . 1 . . . . 125 LEU CA . 16956 1 1313 . 1 1 125 125 LEU CB C 13 44.2 0.3 . 1 . . . . 125 LEU CB . 16956 1 1314 . 1 1 125 125 LEU CD1 C 13 25.4 0.3 . 1 . . . . 125 LEU CD1 . 16956 1 1315 . 1 1 125 125 LEU CD2 C 13 25.3 0.3 . 1 . . . . 125 LEU CD2 . 16956 1 1316 . 1 1 125 125 LEU CG C 13 27.0 0.3 . 1 . . . . 125 LEU CG . 16956 1 1317 . 1 1 125 125 LEU N N 15 121.7 0.3 . 1 . . . . 125 LEU N . 16956 1 1318 . 1 1 126 126 LYS H H 1 8.84 0.02 . 1 . . . . 126 LYS H . 16956 1 1319 . 1 1 126 126 LYS HA H 1 4.86 0.02 . 1 . . . . 126 LYS HA . 16956 1 1320 . 1 1 126 126 LYS HB2 H 1 1.32 0.02 . 2 . . . . 126 LYS HB2 . 16956 1 1321 . 1 1 126 126 LYS HB3 H 1 1.29 0.02 . 2 . . . . 126 LYS HB3 . 16956 1 1322 . 1 1 126 126 LYS HD2 H 1 1.42 0.02 . 2 . . . . 126 LYS HD2 . 16956 1 1323 . 1 1 126 126 LYS HD3 H 1 1.38 0.02 . 2 . . . . 126 LYS HD3 . 16956 1 1324 . 1 1 126 126 LYS HE2 H 1 2.41 0.02 . 2 . . . . 126 LYS HE2 . 16956 1 1325 . 1 1 126 126 LYS HE3 H 1 2.40 0.02 . 2 . . . . 126 LYS HE3 . 16956 1 1326 . 1 1 126 126 LYS HG2 H 1 1.17 0.02 . 2 . . . . 126 LYS HG2 . 16956 1 1327 . 1 1 126 126 LYS HG3 H 1 1.04 0.02 . 2 . . . . 126 LYS HG3 . 16956 1 1328 . 1 1 126 126 LYS C C 13 174.4 0.3 . 1 . . . . 126 LYS C . 16956 1 1329 . 1 1 126 126 LYS CA C 13 55.3 0.3 . 1 . . . . 126 LYS CA . 16956 1 1330 . 1 1 126 126 LYS CB C 13 37.5 0.3 . 1 . . . . 126 LYS CB . 16956 1 1331 . 1 1 126 126 LYS CD C 13 29.6 0.3 . 1 . . . . 126 LYS CD . 16956 1 1332 . 1 1 126 126 LYS CE C 13 41.3 0.3 . 1 . . . . 126 LYS CE . 16956 1 1333 . 1 1 126 126 LYS CG C 13 24.9 0.3 . 1 . . . . 126 LYS CG . 16956 1 1334 . 1 1 126 126 LYS N N 15 119.4 0.3 . 1 . . . . 126 LYS N . 16956 1 1335 . 1 1 127 127 SER H H 1 8.08 0.02 . 1 . . . . 127 SER H . 16956 1 1336 . 1 1 127 127 SER HA H 1 4.63 0.02 . 1 . . . . 127 SER HA . 16956 1 1337 . 1 1 127 127 SER HB2 H 1 3.86 0.02 . 2 . . . . 127 SER HB2 . 16956 1 1338 . 1 1 127 127 SER HB3 H 1 3.77 0.02 . 2 . . . . 127 SER HB3 . 16956 1 1339 . 1 1 127 127 SER C C 13 174.8 0.3 . 1 . . . . 127 SER C . 16956 1 1340 . 1 1 127 127 SER CA C 13 55.8 0.3 . 1 . . . . 127 SER CA . 16956 1 1341 . 1 1 127 127 SER CB C 13 65.2 0.3 . 1 . . . . 127 SER CB . 16956 1 1342 . 1 1 127 127 SER N N 15 114.3 0.3 . 1 . . . . 127 SER N . 16956 1 1343 . 1 1 128 128 TYR H H 1 9.12 0.02 . 1 . . . . 128 TYR H . 16956 1 1344 . 1 1 128 128 TYR HA H 1 4.76 0.02 . 1 . . . . 128 TYR HA . 16956 1 1345 . 1 1 128 128 TYR HB2 H 1 3.14 0.02 . 2 . . . . 128 TYR HB2 . 16956 1 1346 . 1 1 128 128 TYR HB3 H 1 3.11 0.02 . 2 . . . . 128 TYR HB3 . 16956 1 1347 . 1 1 128 128 TYR HD2 H 1 6.96 0.02 . 1 . . . . 128 TYR HD2 . 16956 1 1348 . 1 1 128 128 TYR HE2 H 1 6.65 0.02 . 1 . . . . 128 TYR HE2 . 16956 1 1349 . 1 1 128 128 TYR C C 13 175.5 0.3 . 1 . . . . 128 TYR C . 16956 1 1350 . 1 1 128 128 TYR CA C 13 57.3 0.3 . 1 . . . . 128 TYR CA . 16956 1 1351 . 1 1 128 128 TYR CB C 13 37.3 0.3 . 1 . . . . 128 TYR CB . 16956 1 1352 . 1 1 128 128 TYR CD2 C 13 132.8 0.3 . 1 . . . . 128 TYR CD2 . 16956 1 1353 . 1 1 128 128 TYR CE2 C 13 117.7 0.3 . 1 . . . . 128 TYR CE2 . 16956 1 1354 . 1 1 128 128 TYR N N 15 125.8 0.3 . 1 . . . . 128 TYR N . 16956 1 1355 . 1 1 129 129 GLU H H 1 8.38 0.02 . 1 . . . . 129 GLU H . 16956 1 1356 . 1 1 129 129 GLU HA H 1 4.54 0.02 . 1 . . . . 129 GLU HA . 16956 1 1357 . 1 1 129 129 GLU HB2 H 1 2.14 0.02 . 2 . . . . 129 GLU HB2 . 16956 1 1358 . 1 1 129 129 GLU HB3 H 1 2.05 0.02 . 2 . . . . 129 GLU HB3 . 16956 1 1359 . 1 1 129 129 GLU HG2 H 1 2.35 0.02 . 2 . . . . 129 GLU HG2 . 16956 1 1360 . 1 1 129 129 GLU HG3 H 1 2.31 0.02 . 2 . . . . 129 GLU HG3 . 16956 1 1361 . 1 1 129 129 GLU C C 13 174.5 0.3 . 1 . . . . 129 GLU C . 16956 1 1362 . 1 1 129 129 GLU CA C 13 55.9 0.3 . 1 . . . . 129 GLU CA . 16956 1 1363 . 1 1 129 129 GLU CB C 13 30.5 0.3 . 1 . . . . 129 GLU CB . 16956 1 1364 . 1 1 129 129 GLU CG C 13 35.7 0.3 . 1 . . . . 129 GLU CG . 16956 1 1365 . 1 1 129 129 GLU N N 15 122.3 0.3 . 1 . . . . 129 GLU N . 16956 1 1366 . 1 1 130 130 ALA H H 1 8.48 0.02 . 1 . . . . 130 ALA H . 16956 1 1367 . 1 1 130 130 ALA HA H 1 4.81 0.02 . 1 . . . . 130 ALA HA . 16956 1 1368 . 1 1 130 130 ALA HB1 H 1 1.28 0.02 . 1 . . . . 130 ALA HB . 16956 1 1369 . 1 1 130 130 ALA HB2 H 1 1.28 0.02 . 1 . . . . 130 ALA HB . 16956 1 1370 . 1 1 130 130 ALA HB3 H 1 1.28 0.02 . 1 . . . . 130 ALA HB . 16956 1 1371 . 1 1 130 130 ALA C C 13 178.0 0.3 . 1 . . . . 130 ALA C . 16956 1 1372 . 1 1 130 130 ALA CA C 13 50.4 0.3 . 1 . . . . 130 ALA CA . 16956 1 1373 . 1 1 130 130 ALA CB C 13 21.0 0.3 . 1 . . . . 130 ALA CB . 16956 1 1374 . 1 1 130 130 ALA N N 15 128.2 0.3 . 1 . . . . 130 ALA N . 16956 1 1375 . 1 1 131 131 ASP H H 1 8.34 0.02 . 1 . . . . 131 ASP H . 16956 1 1376 . 1 1 131 131 ASP HA H 1 4.92 0.02 . 1 . . . . 131 ASP HA . 16956 1 1377 . 1 1 131 131 ASP HB2 H 1 2.80 0.02 . 2 . . . . 131 ASP HB2 . 16956 1 1378 . 1 1 131 131 ASP HB3 H 1 2.56 0.02 . 2 . . . . 131 ASP HB3 . 16956 1 1379 . 1 1 131 131 ASP C C 13 178.1 0.3 . 1 . . . . 131 ASP C . 16956 1 1380 . 1 1 131 131 ASP CA C 13 52.4 0.3 . 1 . . . . 131 ASP CA . 16956 1 1381 . 1 1 131 131 ASP CB C 13 40.9 0.3 . 1 . . . . 131 ASP CB . 16956 1 1382 . 1 1 131 131 ASP N N 15 121.9 0.3 . 1 . . . . 131 ASP N . 16956 1 1383 . 1 1 132 132 ALA H H 1 8.45 0.02 . 1 . . . . 132 ALA H . 16956 1 1384 . 1 1 132 132 ALA HA H 1 4.17 0.02 . 1 . . . . 132 ALA HA . 16956 1 1385 . 1 1 132 132 ALA HB1 H 1 1.49 0.02 . 1 . . . . 132 ALA HB . 16956 1 1386 . 1 1 132 132 ALA HB2 H 1 1.49 0.02 . 1 . . . . 132 ALA HB . 16956 1 1387 . 1 1 132 132 ALA HB3 H 1 1.49 0.02 . 1 . . . . 132 ALA HB . 16956 1 1388 . 1 1 132 132 ALA C C 13 178.9 0.3 . 1 . . . . 132 ALA C . 16956 1 1389 . 1 1 132 132 ALA CA C 13 54.5 0.3 . 1 . . . . 132 ALA CA . 16956 1 1390 . 1 1 132 132 ALA CB C 13 18.3 0.3 . 1 . . . . 132 ALA CB . 16956 1 1391 . 1 1 132 132 ALA N N 15 120.2 0.3 . 1 . . . . 132 ALA N . 16956 1 1392 . 1 1 133 133 GLN H H 1 8.20 0.02 . 1 . . . . 133 GLN H . 16956 1 1393 . 1 1 133 133 GLN HA H 1 4.46 0.02 . 1 . . . . 133 GLN HA . 16956 1 1394 . 1 1 133 133 GLN HB2 H 1 2.30 0.02 . 2 . . . . 133 GLN HB2 . 16956 1 1395 . 1 1 133 133 GLN HB3 H 1 2.17 0.02 . 2 . . . . 133 GLN HB3 . 16956 1 1396 . 1 1 133 133 GLN HE21 H 1 7.72 0.02 . 1 . . . . 133 GLN HE21 . 16956 1 1397 . 1 1 133 133 GLN HE22 H 1 6.87 0.02 . 1 . . . . 133 GLN HE22 . 16956 1 1398 . 1 1 133 133 GLN HG2 H 1 2.40 0.02 . 2 . . . . 133 GLN HG2 . 16956 1 1399 . 1 1 133 133 GLN HG3 H 1 2.32 0.02 . 2 . . . . 133 GLN HG3 . 16956 1 1400 . 1 1 133 133 GLN C C 13 175.8 0.3 . 1 . . . . 133 GLN C . 16956 1 1401 . 1 1 133 133 GLN CA C 13 55.8 0.3 . 1 . . . . 133 GLN CA . 16956 1 1402 . 1 1 133 133 GLN CB C 13 29.4 0.3 . 1 . . . . 133 GLN CB . 16956 1 1403 . 1 1 133 133 GLN CG C 13 35.6 0.3 . 1 . . . . 133 GLN CG . 16956 1 1404 . 1 1 133 133 GLN N N 15 116.7 0.3 . 1 . . . . 133 GLN N . 16956 1 1405 . 1 1 133 133 GLN NE2 N 15 112.8 0.3 . 1 . . . . 133 GLN NE2 . 16956 1 1406 . 1 1 134 134 GLY H H 1 8.29 0.02 . 1 . . . . 134 GLY H . 16956 1 1407 . 1 1 134 134 GLY HA2 H 1 4.18 0.02 . 2 . . . . 134 GLY HA2 . 16956 1 1408 . 1 1 134 134 GLY HA3 H 1 3.66 0.02 . 2 . . . . 134 GLY HA3 . 16956 1 1409 . 1 1 134 134 GLY C C 13 174.0 0.3 . 1 . . . . 134 GLY C . 16956 1 1410 . 1 1 134 134 GLY CA C 13 45.8 0.3 . 1 . . . . 134 GLY CA . 16956 1 1411 . 1 1 134 134 GLY N N 15 108.8 0.3 . 1 . . . . 134 GLY N . 16956 1 1412 . 1 1 135 135 LEU H H 1 8.72 0.02 . 1 . . . . 135 LEU H . 16956 1 1413 . 1 1 135 135 LEU HA H 1 5.11 0.02 . 1 . . . . 135 LEU HA . 16956 1 1414 . 1 1 135 135 LEU HB2 H 1 1.98 0.02 . 2 . . . . 135 LEU HB2 . 16956 1 1415 . 1 1 135 135 LEU HB3 H 1 1.07 0.02 . 2 . . . . 135 LEU HB3 . 16956 1 1416 . 1 1 135 135 LEU HD11 H 1 0.46 0.02 . 1 . . . . 135 LEU HD1 . 16956 1 1417 . 1 1 135 135 LEU HD12 H 1 0.46 0.02 . 1 . . . . 135 LEU HD1 . 16956 1 1418 . 1 1 135 135 LEU HD13 H 1 0.46 0.02 . 1 . . . . 135 LEU HD1 . 16956 1 1419 . 1 1 135 135 LEU HD21 H 1 0.39 0.02 . 1 . . . . 135 LEU HD2 . 16956 1 1420 . 1 1 135 135 LEU HD22 H 1 0.39 0.02 . 1 . . . . 135 LEU HD2 . 16956 1 1421 . 1 1 135 135 LEU HD23 H 1 0.39 0.02 . 1 . . . . 135 LEU HD2 . 16956 1 1422 . 1 1 135 135 LEU HG H 1 1.63 0.02 . 1 . . . . 135 LEU HG . 16956 1 1423 . 1 1 135 135 LEU C C 13 178.3 0.3 . 1 . . . . 135 LEU C . 16956 1 1424 . 1 1 135 135 LEU CA C 13 55.0 0.3 . 1 . . . . 135 LEU CA . 16956 1 1425 . 1 1 135 135 LEU CB C 13 40.9 0.3 . 1 . . . . 135 LEU CB . 16956 1 1426 . 1 1 135 135 LEU CD1 C 13 22.2 0.3 . 1 . . . . 135 LEU CD1 . 16956 1 1427 . 1 1 135 135 LEU CD2 C 13 24.7 0.3 . 1 . . . . 135 LEU CD2 . 16956 1 1428 . 1 1 135 135 LEU CG C 13 27.3 0.3 . 1 . . . . 135 LEU CG . 16956 1 1429 . 1 1 135 135 LEU N N 15 123.4 0.3 . 1 . . . . 135 LEU N . 16956 1 1430 . 1 1 136 136 SER H H 1 9.30 0.02 . 1 . . . . 136 SER H . 16956 1 1431 . 1 1 136 136 SER HA H 1 5.03 0.02 . 1 . . . . 136 SER HA . 16956 1 1432 . 1 1 136 136 SER HB2 H 1 3.77 0.02 . 2 . . . . 136 SER HB2 . 16956 1 1433 . 1 1 136 136 SER HB3 H 1 3.68 0.02 . 2 . . . . 136 SER HB3 . 16956 1 1434 . 1 1 136 136 SER C C 13 173.0 0.3 . 1 . . . . 136 SER C . 16956 1 1435 . 1 1 136 136 SER CA C 13 56.9 0.3 . 1 . . . . 136 SER CA . 16956 1 1436 . 1 1 136 136 SER CB C 13 66.3 0.3 . 1 . . . . 136 SER CB . 16956 1 1437 . 1 1 136 136 SER N N 15 119.0 0.3 . 1 . . . . 136 SER N . 16956 1 1438 . 1 1 137 137 PHE H H 1 9.27 0.02 . 1 . . . . 137 PHE H . 16956 1 1439 . 1 1 137 137 PHE HA H 1 5.02 0.02 . 1 . . . . 137 PHE HA . 16956 1 1440 . 1 1 137 137 PHE HB2 H 1 3.28 0.02 . 2 . . . . 137 PHE HB2 . 16956 1 1441 . 1 1 137 137 PHE HB3 H 1 2.91 0.02 . 2 . . . . 137 PHE HB3 . 16956 1 1442 . 1 1 137 137 PHE HD2 H 1 7.07 0.02 . 1 . . . . 137 PHE HD2 . 16956 1 1443 . 1 1 137 137 PHE HE2 H 1 6.93 0.02 . 1 . . . . 137 PHE HE2 . 16956 1 1444 . 1 1 137 137 PHE HZ H 1 6.12 0.02 . 1 . . . . 137 PHE HZ . 16956 1 1445 . 1 1 137 137 PHE C C 13 174.3 0.3 . 1 . . . . 137 PHE C . 16956 1 1446 . 1 1 137 137 PHE CA C 13 58.9 0.3 . 1 . . . . 137 PHE CA . 16956 1 1447 . 1 1 137 137 PHE CB C 13 41.6 0.3 . 1 . . . . 137 PHE CB . 16956 1 1448 . 1 1 137 137 PHE CD2 C 13 133.1 0.3 . 1 . . . . 137 PHE CD2 . 16956 1 1449 . 1 1 137 137 PHE N N 15 125.3 0.3 . 1 . . . . 137 PHE N . 16956 1 1450 . 1 1 138 138 GLU H H 1 7.81 0.02 . 1 . . . . 138 GLU H . 16956 1 1451 . 1 1 138 138 GLU HA H 1 4.61 0.02 . 1 . . . . 138 GLU HA . 16956 1 1452 . 1 1 138 138 GLU HB2 H 1 1.81 0.02 . 2 . . . . 138 GLU HB2 . 16956 1 1453 . 1 1 138 138 GLU HB3 H 1 1.72 0.02 . 2 . . . . 138 GLU HB3 . 16956 1 1454 . 1 1 138 138 GLU C C 13 173.0 0.3 . 1 . . . . 138 GLU C . 16956 1 1455 . 1 1 138 138 GLU CA C 13 56.0 0.3 . 1 . . . . 138 GLU CA . 16956 1 1456 . 1 1 138 138 GLU CB C 13 34.0 0.3 . 1 . . . . 138 GLU CB . 16956 1 1457 . 1 1 138 138 GLU N N 15 125.7 0.3 . 1 . . . . 138 GLU N . 16956 1 1458 . 1 1 139 139 VAL H H 1 8.40 0.02 . 1 . . . . 139 VAL H . 16956 1 1459 . 1 1 139 139 VAL HA H 1 3.94 0.02 . 1 . . . . 139 VAL HA . 16956 1 1460 . 1 1 139 139 VAL HB H 1 1.23 0.02 . 1 . . . . 139 VAL HB . 16956 1 1461 . 1 1 139 139 VAL HG11 H 1 0.48 0.02 . 1 . . . . 139 VAL HG1 . 16956 1 1462 . 1 1 139 139 VAL HG12 H 1 0.48 0.02 . 1 . . . . 139 VAL HG1 . 16956 1 1463 . 1 1 139 139 VAL HG13 H 1 0.48 0.02 . 1 . . . . 139 VAL HG1 . 16956 1 1464 . 1 1 139 139 VAL HG21 H 1 0.30 0.02 . 1 . . . . 139 VAL HG2 . 16956 1 1465 . 1 1 139 139 VAL HG22 H 1 0.30 0.02 . 1 . . . . 139 VAL HG2 . 16956 1 1466 . 1 1 139 139 VAL HG23 H 1 0.30 0.02 . 1 . . . . 139 VAL HG2 . 16956 1 1467 . 1 1 139 139 VAL C C 13 171.4 0.3 . 1 . . . . 139 VAL C . 16956 1 1468 . 1 1 139 139 VAL CA C 13 60.5 0.3 . 1 . . . . 139 VAL CA . 16956 1 1469 . 1 1 139 139 VAL CB C 13 35.1 0.3 . 1 . . . . 139 VAL CB . 16956 1 1470 . 1 1 139 139 VAL CG1 C 13 20.8 0.3 . 1 . . . . 139 VAL CG1 . 16956 1 1471 . 1 1 139 139 VAL CG2 C 13 22.5 0.3 . 1 . . . . 139 VAL CG2 . 16956 1 1472 . 1 1 139 139 VAL N N 15 123.1 0.3 . 1 . . . . 139 VAL N . 16956 1 1473 . 1 1 140 140 ALA H H 1 8.18 0.02 . 1 . . . . 140 ALA H . 16956 1 1474 . 1 1 140 140 ALA HA H 1 4.96 0.02 . 1 . . . . 140 ALA HA . 16956 1 1475 . 1 1 140 140 ALA HB1 H 1 1.07 0.02 . 1 . . . . 140 ALA HB . 16956 1 1476 . 1 1 140 140 ALA HB2 H 1 1.07 0.02 . 1 . . . . 140 ALA HB . 16956 1 1477 . 1 1 140 140 ALA HB3 H 1 1.07 0.02 . 1 . . . . 140 ALA HB . 16956 1 1478 . 1 1 140 140 ALA C C 13 175.3 0.3 . 1 . . . . 140 ALA C . 16956 1 1479 . 1 1 140 140 ALA CA C 13 50.0 0.3 . 1 . . . . 140 ALA CA . 16956 1 1480 . 1 1 140 140 ALA CB C 13 22.2 0.3 . 1 . . . . 140 ALA CB . 16956 1 1481 . 1 1 140 140 ALA N N 15 127.5 0.3 . 1 . . . . 140 ALA N . 16956 1 1482 . 1 1 141 141 LEU H H 1 9.62 0.02 . 1 . . . . 141 LEU H . 16956 1 1483 . 1 1 141 141 LEU HA H 1 4.92 0.02 . 1 . . . . 141 LEU HA . 16956 1 1484 . 1 1 141 141 LEU HB2 H 1 1.55 0.02 . 2 . . . . 141 LEU HB2 . 16956 1 1485 . 1 1 141 141 LEU HB3 H 1 1.47 0.02 . 2 . . . . 141 LEU HB3 . 16956 1 1486 . 1 1 141 141 LEU HD11 H 1 0.38 0.02 . 1 . . . . 141 LEU HD1 . 16956 1 1487 . 1 1 141 141 LEU HD12 H 1 0.38 0.02 . 1 . . . . 141 LEU HD1 . 16956 1 1488 . 1 1 141 141 LEU HD13 H 1 0.38 0.02 . 1 . . . . 141 LEU HD1 . 16956 1 1489 . 1 1 141 141 LEU HD21 H 1 0.04 0.02 . 1 . . . . 141 LEU HD2 . 16956 1 1490 . 1 1 141 141 LEU HD22 H 1 0.04 0.02 . 1 . . . . 141 LEU HD2 . 16956 1 1491 . 1 1 141 141 LEU HD23 H 1 0.04 0.02 . 1 . . . . 141 LEU HD2 . 16956 1 1492 . 1 1 141 141 LEU HG H 1 1.26 0.02 . 1 . . . . 141 LEU HG . 16956 1 1493 . 1 1 141 141 LEU CA C 13 53.9 0.3 . 1 . . . . 141 LEU CA . 16956 1 1494 . 1 1 141 141 LEU CB C 13 43.5 0.3 . 1 . . . . 141 LEU CB . 16956 1 1495 . 1 1 141 141 LEU CD1 C 13 24.5 0.3 . 1 . . . . 141 LEU CD1 . 16956 1 1496 . 1 1 141 141 LEU CD2 C 13 27.3 0.3 . 1 . . . . 141 LEU CD2 . 16956 1 1497 . 1 1 141 141 LEU CG C 13 28.6 0.3 . 1 . . . . 141 LEU CG . 16956 1 1498 . 1 1 141 141 LEU N N 15 122.7 0.3 . 1 . . . . 141 LEU N . 16956 1 1499 . 1 1 142 142 GLU HA H 1 4.47 0.02 . 1 . . . . 142 GLU HA . 16956 1 1500 . 1 1 142 142 GLU HB2 H 1 2.09 0.02 . 2 . . . . 142 GLU HB2 . 16956 1 1501 . 1 1 142 142 GLU HB3 H 1 1.99 0.02 . 2 . . . . 142 GLU HB3 . 16956 1 1502 . 1 1 142 142 GLU HG2 H 1 2.54 0.02 . 2 . . . . 142 GLU HG2 . 16956 1 1503 . 1 1 142 142 GLU HG3 H 1 2.28 0.02 . 2 . . . . 142 GLU HG3 . 16956 1 1504 . 1 1 142 142 GLU CA C 13 57.1 0.3 . 1 . . . . 142 GLU CA . 16956 1 1505 . 1 1 142 142 GLU CB C 13 29.6 0.3 . 1 . . . . 142 GLU CB . 16956 1 1506 . 1 1 142 142 GLU CG C 13 36.7 0.3 . 1 . . . . 142 GLU CG . 16956 1 1507 . 1 1 143 143 GLY HA2 H 1 4.26 0.02 . 2 . . . . 143 GLY HA2 . 16956 1 1508 . 1 1 143 143 GLY HA3 H 1 3.49 0.02 . 2 . . . . 143 GLY HA3 . 16956 1 1509 . 1 1 143 143 GLY CA C 13 43.7 0.3 . 1 . . . . 143 GLY CA . 16956 1 1510 . 1 1 144 144 ASP H H 1 7.94 0.02 . 1 . . . . 144 ASP H . 16956 1 1511 . 1 1 144 144 ASP HA H 1 4.32 0.02 . 1 . . . . 144 ASP HA . 16956 1 1512 . 1 1 144 144 ASP HB2 H 1 2.70 0.02 . 2 . . . . 144 ASP HB2 . 16956 1 1513 . 1 1 144 144 ASP HB3 H 1 2.47 0.02 . 2 . . . . 144 ASP HB3 . 16956 1 1514 . 1 1 144 144 ASP C C 13 175.6 0.3 . 1 . . . . 144 ASP C . 16956 1 1515 . 1 1 144 144 ASP CA C 13 52.2 0.3 . 1 . . . . 144 ASP CA . 16956 1 1516 . 1 1 144 144 ASP CB C 13 39.9 0.3 . 1 . . . . 144 ASP CB . 16956 1 1517 . 1 1 144 144 ASP N N 15 117.7 0.3 . 1 . . . . 144 ASP N . 16956 1 1518 . 1 1 145 145 HIS H H 1 8.54 0.02 . 1 . . . . 145 HIS H . 16956 1 1519 . 1 1 145 145 HIS HA H 1 4.99 0.02 . 1 . . . . 145 HIS HA . 16956 1 1520 . 1 1 145 145 HIS HB2 H 1 3.45 0.02 . 2 . . . . 145 HIS HB2 . 16956 1 1521 . 1 1 145 145 HIS HB3 H 1 2.19 0.02 . 2 . . . . 145 HIS HB3 . 16956 1 1522 . 1 1 145 145 HIS HD2 H 1 6.48 0.02 . 1 . . . . 145 HIS HD2 . 16956 1 1523 . 1 1 145 145 HIS HE1 H 1 7.81 0.02 . 1 . . . . 145 HIS HE1 . 16956 1 1524 . 1 1 145 145 HIS C C 13 176.8 0.3 . 1 . . . . 145 HIS C . 16956 1 1525 . 1 1 145 145 HIS CA C 13 54.3 0.3 . 1 . . . . 145 HIS CA . 16956 1 1526 . 1 1 145 145 HIS CB C 13 33.6 0.3 . 1 . . . . 145 HIS CB . 16956 1 1527 . 1 1 145 145 HIS CD2 C 13 117.6 0.3 . 1 . . . . 145 HIS CD2 . 16956 1 1528 . 1 1 145 145 HIS CE1 C 13 139.8 0.3 . 1 . . . . 145 HIS CE1 . 16956 1 1529 . 1 1 145 145 HIS N N 15 122.4 0.3 . 1 . . . . 145 HIS N . 16956 1 1530 . 1 1 146 146 ALA H H 1 7.84 0.02 . 1 . . . . 146 ALA H . 16956 1 1531 . 1 1 146 146 ALA HA H 1 3.79 0.02 . 1 . . . . 146 ALA HA . 16956 1 1532 . 1 1 146 146 ALA HB1 H 1 1.42 0.02 . 1 . . . . 146 ALA HB . 16956 1 1533 . 1 1 146 146 ALA HB2 H 1 1.42 0.02 . 1 . . . . 146 ALA HB . 16956 1 1534 . 1 1 146 146 ALA HB3 H 1 1.42 0.02 . 1 . . . . 146 ALA HB . 16956 1 1535 . 1 1 146 146 ALA C C 13 178.9 0.3 . 1 . . . . 146 ALA C . 16956 1 1536 . 1 1 146 146 ALA CA C 13 56.4 0.3 . 1 . . . . 146 ALA CA . 16956 1 1537 . 1 1 146 146 ALA CB C 13 18.3 0.3 . 1 . . . . 146 ALA CB . 16956 1 1538 . 1 1 146 146 ALA N N 15 123.8 0.3 . 1 . . . . 146 ALA N . 16956 1 1539 . 1 1 147 147 ALA H H 1 8.88 0.02 . 1 . . . . 147 ALA H . 16956 1 1540 . 1 1 147 147 ALA HA H 1 4.34 0.02 . 1 . . . . 147 ALA HA . 16956 1 1541 . 1 1 147 147 ALA HB1 H 1 1.43 0.02 . 1 . . . . 147 ALA HB . 16956 1 1542 . 1 1 147 147 ALA HB2 H 1 1.43 0.02 . 1 . . . . 147 ALA HB . 16956 1 1543 . 1 1 147 147 ALA HB3 H 1 1.43 0.02 . 1 . . . . 147 ALA HB . 16956 1 1544 . 1 1 147 147 ALA C C 13 177.7 0.3 . 1 . . . . 147 ALA C . 16956 1 1545 . 1 1 147 147 ALA CA C 13 53.1 0.3 . 1 . . . . 147 ALA CA . 16956 1 1546 . 1 1 147 147 ALA CB C 13 18.4 0.3 . 1 . . . . 147 ALA CB . 16956 1 1547 . 1 1 147 147 ALA N N 15 117.6 0.3 . 1 . . . . 147 ALA N . 16956 1 1548 . 1 1 148 148 ALA H H 1 7.71 0.02 . 1 . . . . 148 ALA H . 16956 1 1549 . 1 1 148 148 ALA HA H 1 4.55 0.02 . 1 . . . . 148 ALA HA . 16956 1 1550 . 1 1 148 148 ALA HB1 H 1 1.57 0.02 . 1 . . . . 148 ALA HB . 16956 1 1551 . 1 1 148 148 ALA HB2 H 1 1.57 0.02 . 1 . . . . 148 ALA HB . 16956 1 1552 . 1 1 148 148 ALA HB3 H 1 1.57 0.02 . 1 . . . . 148 ALA HB . 16956 1 1553 . 1 1 148 148 ALA C C 13 178.1 0.3 . 1 . . . . 148 ALA C . 16956 1 1554 . 1 1 148 148 ALA CA C 13 51.7 0.3 . 1 . . . . 148 ALA CA . 16956 1 1555 . 1 1 148 148 ALA CB C 13 21.2 0.3 . 1 . . . . 148 ALA CB . 16956 1 1556 . 1 1 148 148 ALA N N 15 119.7 0.3 . 1 . . . . 148 ALA N . 16956 1 1557 . 1 1 149 149 LEU H H 1 7.28 0.02 . 1 . . . . 149 LEU H . 16956 1 1558 . 1 1 149 149 LEU HA H 1 5.00 0.02 . 1 . . . . 149 LEU HA . 16956 1 1559 . 1 1 149 149 LEU HB2 H 1 1.89 0.02 . 2 . . . . 149 LEU HB2 . 16956 1 1560 . 1 1 149 149 LEU HB3 H 1 1.38 0.02 . 2 . . . . 149 LEU HB3 . 16956 1 1561 . 1 1 149 149 LEU HD11 H 1 0.71 0.02 . 1 . . . . 149 LEU HD1 . 16956 1 1562 . 1 1 149 149 LEU HD12 H 1 0.71 0.02 . 1 . . . . 149 LEU HD1 . 16956 1 1563 . 1 1 149 149 LEU HD13 H 1 0.71 0.02 . 1 . . . . 149 LEU HD1 . 16956 1 1564 . 1 1 149 149 LEU HD21 H 1 0.69 0.02 . 1 . . . . 149 LEU HD2 . 16956 1 1565 . 1 1 149 149 LEU HD22 H 1 0.69 0.02 . 1 . . . . 149 LEU HD2 . 16956 1 1566 . 1 1 149 149 LEU HD23 H 1 0.69 0.02 . 1 . . . . 149 LEU HD2 . 16956 1 1567 . 1 1 149 149 LEU HG H 1 1.45 0.02 . 1 . . . . 149 LEU HG . 16956 1 1568 . 1 1 149 149 LEU C C 13 176.0 0.3 . 1 . . . . 149 LEU C . 16956 1 1569 . 1 1 149 149 LEU CA C 13 54.8 0.3 . 1 . . . . 149 LEU CA . 16956 1 1570 . 1 1 149 149 LEU CB C 13 42.2 0.3 . 1 . . . . 149 LEU CB . 16956 1 1571 . 1 1 149 149 LEU CD1 C 13 27.1 0.3 . 1 . . . . 149 LEU CD1 . 16956 1 1572 . 1 1 149 149 LEU CD2 C 13 23.3 0.3 . 1 . . . . 149 LEU CD2 . 16956 1 1573 . 1 1 149 149 LEU CG C 13 27.6 0.3 . 1 . . . . 149 LEU CG . 16956 1 1574 . 1 1 149 149 LEU N N 15 121.7 0.3 . 1 . . . . 149 LEU N . 16956 1 1575 . 1 1 150 150 SER H H 1 9.61 0.02 . 1 . . . . 150 SER H . 16956 1 1576 . 1 1 150 150 SER HA H 1 4.77 0.02 . 1 . . . . 150 SER HA . 16956 1 1577 . 1 1 150 150 SER HB2 H 1 4.27 0.02 . 2 . . . . 150 SER HB2 . 16956 1 1578 . 1 1 150 150 SER HB3 H 1 4.00 0.02 . 2 . . . . 150 SER HB3 . 16956 1 1579 . 1 1 150 150 SER C C 13 173.2 0.3 . 1 . . . . 150 SER C . 16956 1 1580 . 1 1 150 150 SER CA C 13 57.6 0.3 . 1 . . . . 150 SER CA . 16956 1 1581 . 1 1 150 150 SER CB C 13 66.7 0.3 . 1 . . . . 150 SER CB . 16956 1 1582 . 1 1 150 150 SER N N 15 119.9 0.3 . 1 . . . . 150 SER N . 16956 1 1583 . 1 1 151 151 ALA H H 1 8.94 0.02 . 1 . . . . 151 ALA H . 16956 1 1584 . 1 1 151 151 ALA HA H 1 4.92 0.02 . 1 . . . . 151 ALA HA . 16956 1 1585 . 1 1 151 151 ALA HB1 H 1 1.75 0.02 . 1 . . . . 151 ALA HB . 16956 1 1586 . 1 1 151 151 ALA HB2 H 1 1.75 0.02 . 1 . . . . 151 ALA HB . 16956 1 1587 . 1 1 151 151 ALA HB3 H 1 1.75 0.02 . 1 . . . . 151 ALA HB . 16956 1 1588 . 1 1 151 151 ALA C C 13 177.0 0.3 . 1 . . . . 151 ALA C . 16956 1 1589 . 1 1 151 151 ALA CA C 13 53.6 0.3 . 1 . . . . 151 ALA CA . 16956 1 1590 . 1 1 151 151 ALA CB C 13 18.3 0.3 . 1 . . . . 151 ALA CB . 16956 1 1591 . 1 1 151 151 ALA N N 15 120.3 0.3 . 1 . . . . 151 ALA N . 16956 1 1592 . 1 1 152 152 ASP H H 1 8.56 0.02 . 1 . . . . 152 ASP H . 16956 1 1593 . 1 1 152 152 ASP HA H 1 4.68 0.02 . 1 . . . . 152 ASP HA . 16956 1 1594 . 1 1 152 152 ASP HB2 H 1 2.73 0.02 . 2 . . . . 152 ASP HB2 . 16956 1 1595 . 1 1 152 152 ASP HB3 H 1 2.45 0.02 . 2 . . . . 152 ASP HB3 . 16956 1 1596 . 1 1 152 152 ASP C C 13 177.6 0.3 . 1 . . . . 152 ASP C . 16956 1 1597 . 1 1 152 152 ASP CA C 13 56.0 0.3 . 1 . . . . 152 ASP CA . 16956 1 1598 . 1 1 152 152 ASP CB C 13 41.3 0.3 . 1 . . . . 152 ASP CB . 16956 1 1599 . 1 1 152 152 ASP N N 15 115.9 0.3 . 1 . . . . 152 ASP N . 16956 1 1600 . 1 1 153 153 ASN H H 1 7.73 0.02 . 1 . . . . 153 ASN H . 16956 1 1601 . 1 1 153 153 ASN HA H 1 4.88 0.02 . 1 . . . . 153 ASN HA . 16956 1 1602 . 1 1 153 153 ASN HB2 H 1 3.77 0.02 . 2 . . . . 153 ASN HB2 . 16956 1 1603 . 1 1 153 153 ASN HB3 H 1 2.92 0.02 . 2 . . . . 153 ASN HB3 . 16956 1 1604 . 1 1 153 153 ASN HD21 H 1 7.67 0.02 . 1 . . . . 153 ASN HD21 . 16956 1 1605 . 1 1 153 153 ASN HD22 H 1 6.94 0.02 . 1 . . . . 153 ASN HD22 . 16956 1 1606 . 1 1 153 153 ASN C C 13 173.2 0.3 . 1 . . . . 153 ASN C . 16956 1 1607 . 1 1 153 153 ASN CA C 13 52.6 0.3 . 1 . . . . 153 ASN CA . 16956 1 1608 . 1 1 153 153 ASN CB C 13 39.1 0.3 . 1 . . . . 153 ASN CB . 16956 1 1609 . 1 1 153 153 ASN N N 15 114.5 0.3 . 1 . . . . 153 ASN N . 16956 1 1610 . 1 1 153 153 ASN ND2 N 15 113.4 0.3 . 1 . . . . 153 ASN ND2 . 16956 1 1611 . 1 1 154 154 ILE H H 1 7.73 0.02 . 1 . . . . 154 ILE H . 16956 1 1612 . 1 1 154 154 ILE HA H 1 4.83 0.02 . 1 . . . . 154 ILE HA . 16956 1 1613 . 1 1 154 154 ILE HB H 1 1.38 0.02 . 1 . . . . 154 ILE HB . 16956 1 1614 . 1 1 154 154 ILE HD11 H 1 -0.15 0.02 . 1 . . . . 154 ILE HD1 . 16956 1 1615 . 1 1 154 154 ILE HD12 H 1 -0.15 0.02 . 1 . . . . 154 ILE HD1 . 16956 1 1616 . 1 1 154 154 ILE HD13 H 1 -0.15 0.02 . 1 . . . . 154 ILE HD1 . 16956 1 1617 . 1 1 154 154 ILE HG12 H 1 1.37 0.02 . 1 . . . . 154 ILE HG12 . 16956 1 1618 . 1 1 154 154 ILE HG21 H 1 0.77 0.02 . 1 . . . . 154 ILE HG2 . 16956 1 1619 . 1 1 154 154 ILE HG22 H 1 0.77 0.02 . 1 . . . . 154 ILE HG2 . 16956 1 1620 . 1 1 154 154 ILE HG23 H 1 0.77 0.02 . 1 . . . . 154 ILE HG2 . 16956 1 1621 . 1 1 154 154 ILE C C 13 174.0 0.3 . 1 . . . . 154 ILE C . 16956 1 1622 . 1 1 154 154 ILE CA C 13 60.1 0.3 . 1 . . . . 154 ILE CA . 16956 1 1623 . 1 1 154 154 ILE CB C 13 39.8 0.3 . 1 . . . . 154 ILE CB . 16956 1 1624 . 1 1 154 154 ILE CD1 C 13 17.9 0.3 . 1 . . . . 154 ILE CD1 . 16956 1 1625 . 1 1 154 154 ILE CG2 C 13 15.8 0.3 . 1 . . . . 154 ILE CG2 . 16956 1 1626 . 1 1 154 154 ILE N N 15 120.8 0.3 . 1 . . . . 154 ILE N . 16956 1 1627 . 1 1 155 155 VAL H H 1 9.00 0.02 . 1 . . . . 155 VAL H . 16956 1 1628 . 1 1 155 155 VAL HA H 1 3.99 0.02 . 1 . . . . 155 VAL HA . 16956 1 1629 . 1 1 155 155 VAL HB H 1 2.21 0.02 . 1 . . . . 155 VAL HB . 16956 1 1630 . 1 1 155 155 VAL HG11 H 1 1.07 0.02 . 1 . . . . 155 VAL HG1 . 16956 1 1631 . 1 1 155 155 VAL HG12 H 1 1.07 0.02 . 1 . . . . 155 VAL HG1 . 16956 1 1632 . 1 1 155 155 VAL HG13 H 1 1.07 0.02 . 1 . . . . 155 VAL HG1 . 16956 1 1633 . 1 1 155 155 VAL HG21 H 1 0.87 0.02 . 1 . . . . 155 VAL HG2 . 16956 1 1634 . 1 1 155 155 VAL HG22 H 1 0.87 0.02 . 1 . . . . 155 VAL HG2 . 16956 1 1635 . 1 1 155 155 VAL HG23 H 1 0.87 0.02 . 1 . . . . 155 VAL HG2 . 16956 1 1636 . 1 1 155 155 VAL C C 13 175.8 0.3 . 1 . . . . 155 VAL C . 16956 1 1637 . 1 1 155 155 VAL CA C 13 61.5 0.3 . 1 . . . . 155 VAL CA . 16956 1 1638 . 1 1 155 155 VAL CB C 13 31.3 0.3 . 1 . . . . 155 VAL CB . 16956 1 1639 . 1 1 155 155 VAL CG1 C 13 20.6 0.3 . 1 . . . . 155 VAL CG1 . 16956 1 1640 . 1 1 155 155 VAL CG2 C 13 19.7 0.3 . 1 . . . . 155 VAL CG2 . 16956 1 1641 . 1 1 155 155 VAL N N 15 125.6 0.3 . 1 . . . . 155 VAL N . 16956 1 1642 . 1 1 156 156 PHE H H 1 8.52 0.02 . 1 . . . . 156 PHE H . 16956 1 1643 . 1 1 156 156 PHE HA H 1 4.42 0.02 . 1 . . . . 156 PHE HA . 16956 1 1644 . 1 1 156 156 PHE HB2 H 1 3.37 0.02 . 2 . . . . 156 PHE HB2 . 16956 1 1645 . 1 1 156 156 PHE HB3 H 1 2.76 0.02 . 2 . . . . 156 PHE HB3 . 16956 1 1646 . 1 1 156 156 PHE HD2 H 1 7.25 0.02 . 1 . . . . 156 PHE HD2 . 16956 1 1647 . 1 1 156 156 PHE HE2 H 1 6.93 0.02 . 1 . . . . 156 PHE HE2 . 16956 1 1648 . 1 1 156 156 PHE HZ H 1 6.84 0.02 . 1 . . . . 156 PHE HZ . 16956 1 1649 . 1 1 156 156 PHE C C 13 175.7 0.3 . 1 . . . . 156 PHE C . 16956 1 1650 . 1 1 156 156 PHE CA C 13 59.1 0.3 . 1 . . . . 156 PHE CA . 16956 1 1651 . 1 1 156 156 PHE CB C 13 40.1 0.3 . 1 . . . . 156 PHE CB . 16956 1 1652 . 1 1 156 156 PHE CD2 C 13 132.4 0.3 . 1 . . . . 156 PHE CD2 . 16956 1 1653 . 1 1 156 156 PHE CE2 C 13 131.0 0.3 . 1 . . . . 156 PHE CE2 . 16956 1 1654 . 1 1 156 156 PHE N N 15 124.6 0.3 . 1 . . . . 156 PHE N . 16956 1 1655 . 1 1 157 157 ALA HA H 1 4.51 0.02 . 1 . . . . 157 ALA HA . 16956 1 1656 . 1 1 157 157 ALA HB1 H 1 1.41 0.02 . 1 . . . . 157 ALA HB . 16956 1 1657 . 1 1 157 157 ALA HB2 H 1 1.41 0.02 . 1 . . . . 157 ALA HB . 16956 1 1658 . 1 1 157 157 ALA HB3 H 1 1.41 0.02 . 1 . . . . 157 ALA HB . 16956 1 1659 . 1 1 157 157 ALA CA C 13 52.0 0.3 . 1 . . . . 157 ALA CA . 16956 1 1660 . 1 1 157 157 ALA CB C 13 20.1 0.3 . 1 . . . . 157 ALA CB . 16956 1 1661 . 1 1 158 158 ALA H H 1 8.66 0.02 . 1 . . . . 158 ALA H . 16956 1 1662 . 1 1 158 158 ALA HA H 1 4.43 0.02 . 1 . . . . 158 ALA HA . 16956 1 1663 . 1 1 158 158 ALA HB1 H 1 1.42 0.02 . 1 . . . . 158 ALA HB . 16956 1 1664 . 1 1 158 158 ALA HB2 H 1 1.42 0.02 . 1 . . . . 158 ALA HB . 16956 1 1665 . 1 1 158 158 ALA HB3 H 1 1.42 0.02 . 1 . . . . 158 ALA HB . 16956 1 1666 . 1 1 158 158 ALA C C 13 177.9 0.3 . 1 . . . . 158 ALA C . 16956 1 1667 . 1 1 158 158 ALA CA C 13 52.1 0.3 . 1 . . . . 158 ALA CA . 16956 1 1668 . 1 1 158 158 ALA CB C 13 19.5 0.3 . 1 . . . . 158 ALA CB . 16956 1 1669 . 1 1 158 158 ALA N N 15 125.1 0.3 . 1 . . . . 158 ALA N . 16956 1 1670 . 1 1 159 159 THR H H 1 8.31 0.02 . 1 . . . . 159 THR H . 16956 1 1671 . 1 1 159 159 THR HA H 1 4.34 0.02 . 1 . . . . 159 THR HA . 16956 1 1672 . 1 1 159 159 THR HB H 1 4.25 0.02 . 1 . . . . 159 THR HB . 16956 1 1673 . 1 1 159 159 THR HG21 H 1 1.25 0.02 . 1 . . . . 159 THR HG2 . 16956 1 1674 . 1 1 159 159 THR HG22 H 1 1.25 0.02 . 1 . . . . 159 THR HG2 . 16956 1 1675 . 1 1 159 159 THR HG23 H 1 1.25 0.02 . 1 . . . . 159 THR HG2 . 16956 1 1676 . 1 1 159 159 THR C C 13 174.2 0.3 . 1 . . . . 159 THR C . 16956 1 1677 . 1 1 159 159 THR CA C 13 61.9 0.3 . 1 . . . . 159 THR CA . 16956 1 1678 . 1 1 159 159 THR CB C 13 69.4 0.3 . 1 . . . . 159 THR CB . 16956 1 1679 . 1 1 159 159 THR CG2 C 13 21.5 0.3 . 1 . . . . 159 THR CG2 . 16956 1 1680 . 1 1 159 159 THR N N 15 114.4 0.3 . 1 . . . . 159 THR N . 16956 1 1681 . 1 1 160 160 ASP H H 1 8.45 0.02 . 1 . . . . 160 ASP H . 16956 1 1682 . 1 1 160 160 ASP HA H 1 4.63 0.02 . 1 . . . . 160 ASP HA . 16956 1 1683 . 1 1 160 160 ASP HB2 H 1 2.81 0.02 . 2 . . . . 160 ASP HB2 . 16956 1 1684 . 1 1 160 160 ASP HB3 H 1 2.64 0.02 . 2 . . . . 160 ASP HB3 . 16956 1 1685 . 1 1 160 160 ASP CA C 13 54.1 0.3 . 1 . . . . 160 ASP CA . 16956 1 1686 . 1 1 160 160 ASP CB C 13 41.2 0.3 . 1 . . . . 160 ASP CB . 16956 1 1687 . 1 1 160 160 ASP N N 15 123.4 0.3 . 1 . . . . 160 ASP N . 16956 1 1688 . 1 1 161 161 ALA H H 1 8.34 0.02 . 1 . . . . 161 ALA H . 16956 1 1689 . 1 1 161 161 ALA HA H 1 4.26 0.02 . 1 . . . . 161 ALA HA . 16956 1 1690 . 1 1 161 161 ALA HB1 H 1 1.42 0.02 . 1 . . . . 161 ALA HB . 16956 1 1691 . 1 1 161 161 ALA HB2 H 1 1.42 0.02 . 1 . . . . 161 ALA HB . 16956 1 1692 . 1 1 161 161 ALA HB3 H 1 1.42 0.02 . 1 . . . . 161 ALA HB . 16956 1 1693 . 1 1 161 161 ALA C C 13 177.9 0.3 . 1 . . . . 161 ALA C . 16956 1 1694 . 1 1 161 161 ALA CA C 13 53.0 0.3 . 1 . . . . 161 ALA CA . 16956 1 1695 . 1 1 161 161 ALA CB C 13 19.1 0.3 . 1 . . . . 161 ALA CB . 16956 1 1696 . 1 1 161 161 ALA N N 15 125.8 0.3 . 1 . . . . 161 ALA N . 16956 1 1697 . 1 1 162 162 ALA H H 1 8.31 0.02 . 1 . . . . 162 ALA H . 16956 1 1698 . 1 1 162 162 ALA HA H 1 4.30 0.02 . 1 . . . . 162 ALA HA . 16956 1 1699 . 1 1 162 162 ALA HB1 H 1 1.42 0.02 . 1 . . . . 162 ALA HB . 16956 1 1700 . 1 1 162 162 ALA HB2 H 1 1.42 0.02 . 1 . . . . 162 ALA HB . 16956 1 1701 . 1 1 162 162 ALA HB3 H 1 1.42 0.02 . 1 . . . . 162 ALA HB . 16956 1 1702 . 1 1 162 162 ALA C C 13 177.9 0.3 . 1 . . . . 162 ALA C . 16956 1 1703 . 1 1 162 162 ALA CA C 13 52.9 0.3 . 1 . . . . 162 ALA CA . 16956 1 1704 . 1 1 162 162 ALA CB C 13 18.9 0.3 . 1 . . . . 162 ALA CB . 16956 1 1705 . 1 1 162 162 ALA N N 15 123.2 0.3 . 1 . . . . 162 ALA N . 16956 1 1706 . 1 1 163 163 ALA H H 1 8.16 0.02 . 1 . . . . 163 ALA H . 16956 1 1707 . 1 1 163 163 ALA HA H 1 4.29 0.02 . 1 . . . . 163 ALA HA . 16956 1 1708 . 1 1 163 163 ALA HB1 H 1 1.41 0.02 . 1 . . . . 163 ALA HB . 16956 1 1709 . 1 1 163 163 ALA HB2 H 1 1.41 0.02 . 1 . . . . 163 ALA HB . 16956 1 1710 . 1 1 163 163 ALA HB3 H 1 1.41 0.02 . 1 . . . . 163 ALA HB . 16956 1 1711 . 1 1 163 163 ALA C C 13 177.8 0.3 . 1 . . . . 163 ALA C . 16956 1 1712 . 1 1 163 163 ALA CA C 13 52.8 0.3 . 1 . . . . 163 ALA CA . 16956 1 1713 . 1 1 163 163 ALA CB C 13 19.2 0.3 . 1 . . . . 163 ALA CB . 16956 1 1714 . 1 1 163 163 ALA N N 15 123.7 0.3 . 1 . . . . 163 ALA N . 16956 1 1715 . 1 1 164 164 ALA H H 1 8.23 0.02 . 1 . . . . 164 ALA H . 16956 1 1716 . 1 1 164 164 ALA HA H 1 4.30 0.02 . 1 . . . . 164 ALA HA . 16956 1 1717 . 1 1 164 164 ALA HB1 H 1 1.43 0.02 . 1 . . . . 164 ALA HB . 16956 1 1718 . 1 1 164 164 ALA HB2 H 1 1.43 0.02 . 1 . . . . 164 ALA HB . 16956 1 1719 . 1 1 164 164 ALA HB3 H 1 1.43 0.02 . 1 . . . . 164 ALA HB . 16956 1 1720 . 1 1 164 164 ALA C C 13 178.4 0.3 . 1 . . . . 164 ALA C . 16956 1 1721 . 1 1 164 164 ALA CA C 13 53.0 0.3 . 1 . . . . 164 ALA CA . 16956 1 1722 . 1 1 164 164 ALA CB C 13 18.9 0.3 . 1 . . . . 164 ALA CB . 16956 1 1723 . 1 1 164 164 ALA N N 15 123.5 0.3 . 1 . . . . 164 ALA N . 16956 1 1724 . 1 1 165 165 GLY H H 1 8.31 0.02 . 1 . . . . 165 GLY H . 16956 1 1725 . 1 1 165 165 GLY HA2 H 1 4.01 0.02 . 2 . . . . 165 GLY HA2 . 16956 1 1726 . 1 1 165 165 GLY HA3 H 1 3.93 0.02 . 2 . . . . 165 GLY HA3 . 16956 1 1727 . 1 1 165 165 GLY C C 13 174.2 0.3 . 1 . . . . 165 GLY C . 16956 1 1728 . 1 1 165 165 GLY CA C 13 45.3 0.3 . 1 . . . . 165 GLY CA . 16956 1 1729 . 1 1 165 165 GLY N N 15 108.3 0.3 . 1 . . . . 165 GLY N . 16956 1 1730 . 1 1 166 166 GLU H H 1 8.56 0.02 . 1 . . . . 166 GLU H . 16956 1 1731 . 1 1 166 166 GLU HA H 1 4.32 0.02 . 1 . . . . 166 GLU HA . 16956 1 1732 . 1 1 166 166 GLU HB2 H 1 2.09 0.02 . 2 . . . . 166 GLU HB2 . 16956 1 1733 . 1 1 166 166 GLU HB3 H 1 1.99 0.02 . 2 . . . . 166 GLU HB3 . 16956 1 1734 . 1 1 166 166 GLU HG2 H 1 2.32 0.02 . 2 . . . . 166 GLU HG2 . 16956 1 1735 . 1 1 166 166 GLU HG3 H 1 2.26 0.02 . 2 . . . . 166 GLU HG3 . 16956 1 1736 . 1 1 166 166 GLU C C 13 177.2 0.3 . 1 . . . . 166 GLU C . 16956 1 1737 . 1 1 166 166 GLU CA C 13 57.0 0.3 . 1 . . . . 166 GLU CA . 16956 1 1738 . 1 1 166 166 GLU CB C 13 30.2 0.3 . 1 . . . . 166 GLU CB . 16956 1 1739 . 1 1 166 166 GLU CG C 13 36.3 0.3 . 1 . . . . 166 GLU CG . 16956 1 1740 . 1 1 166 166 GLU N N 15 121.3 0.3 . 1 . . . . 166 GLU N . 16956 1 1741 . 1 1 167 167 LEU H H 1 8.37 0.02 . 1 . . . . 167 LEU H . 16956 1 1742 . 1 1 167 167 LEU HA H 1 4.36 0.02 . 1 . . . . 167 LEU HA . 16956 1 1743 . 1 1 167 167 LEU HB2 H 1 1.71 0.02 . 2 . . . . 167 LEU HB2 . 16956 1 1744 . 1 1 167 167 LEU HB3 H 1 1.63 0.02 . 2 . . . . 167 LEU HB3 . 16956 1 1745 . 1 1 167 167 LEU HD11 H 1 0.92 0.02 . 1 . . . . 167 LEU HD1 . 16956 1 1746 . 1 1 167 167 LEU HD12 H 1 0.92 0.02 . 1 . . . . 167 LEU HD1 . 16956 1 1747 . 1 1 167 167 LEU HD13 H 1 0.92 0.02 . 1 . . . . 167 LEU HD1 . 16956 1 1748 . 1 1 167 167 LEU HD21 H 1 0.84 0.02 . 1 . . . . 167 LEU HD2 . 16956 1 1749 . 1 1 167 167 LEU HD22 H 1 0.84 0.02 . 1 . . . . 167 LEU HD2 . 16956 1 1750 . 1 1 167 167 LEU HD23 H 1 0.84 0.02 . 1 . . . . 167 LEU HD2 . 16956 1 1751 . 1 1 167 167 LEU HG H 1 1.74 0.02 . 1 . . . . 167 LEU HG . 16956 1 1752 . 1 1 167 167 LEU C C 13 177.9 0.3 . 1 . . . . 167 LEU C . 16956 1 1753 . 1 1 167 167 LEU CA C 13 55.6 0.3 . 1 . . . . 167 LEU CA . 16956 1 1754 . 1 1 167 167 LEU CB C 13 42.3 0.3 . 1 . . . . 167 LEU CB . 16956 1 1755 . 1 1 167 167 LEU CD1 C 13 22.8 0.3 . 1 . . . . 167 LEU CD1 . 16956 1 1756 . 1 1 167 167 LEU CD2 C 13 22.2 0.3 . 1 . . . . 167 LEU CD2 . 16956 1 1757 . 1 1 167 167 LEU CG C 13 27.4 0.3 . 1 . . . . 167 LEU CG . 16956 1 1758 . 1 1 167 167 LEU N N 15 123.3 0.3 . 1 . . . . 167 LEU N . 16956 1 1759 . 1 1 168 168 GLY H H 1 8.42 0.02 . 1 . . . . 168 GLY H . 16956 1 1760 . 1 1 168 168 GLY HA2 H 1 4.02 0.02 . 2 . . . . 168 GLY HA2 . 16956 1 1761 . 1 1 168 168 GLY HA3 H 1 3.91 0.02 . 2 . . . . 168 GLY HA3 . 16956 1 1762 . 1 1 168 168 GLY C C 13 173.9 0.3 . 1 . . . . 168 GLY C . 16956 1 1763 . 1 1 168 168 GLY CA C 13 45.4 0.3 . 1 . . . . 168 GLY CA . 16956 1 1764 . 1 1 168 168 GLY N N 15 109.9 0.3 . 1 . . . . 168 GLY N . 16956 1 1765 . 1 1 169 169 VAL H H 1 8.00 0.02 . 1 . . . . 169 VAL H . 16956 1 1766 . 1 1 169 169 VAL HA H 1 4.13 0.02 . 1 . . . . 169 VAL HA . 16956 1 1767 . 1 1 169 169 VAL HB H 1 2.08 0.02 . 1 . . . . 169 VAL HB . 16956 1 1768 . 1 1 169 169 VAL HG11 H 1 0.94 0.02 . 1 . . . . 169 VAL HG1 . 16956 1 1769 . 1 1 169 169 VAL HG12 H 1 0.94 0.02 . 1 . . . . 169 VAL HG1 . 16956 1 1770 . 1 1 169 169 VAL HG13 H 1 0.94 0.02 . 1 . . . . 169 VAL HG1 . 16956 1 1771 . 1 1 169 169 VAL HG21 H 1 0.92 0.02 . 1 . . . . 169 VAL HG2 . 16956 1 1772 . 1 1 169 169 VAL HG22 H 1 0.92 0.02 . 1 . . . . 169 VAL HG2 . 16956 1 1773 . 1 1 169 169 VAL HG23 H 1 0.92 0.02 . 1 . . . . 169 VAL HG2 . 16956 1 1774 . 1 1 169 169 VAL C C 13 176.4 0.3 . 1 . . . . 169 VAL C . 16956 1 1775 . 1 1 169 169 VAL CA C 13 62.2 0.3 . 1 . . . . 169 VAL CA . 16956 1 1776 . 1 1 169 169 VAL CB C 13 32.5 0.3 . 1 . . . . 169 VAL CB . 16956 1 1777 . 1 1 169 169 VAL CG1 C 13 20.6 0.3 . 1 . . . . 169 VAL CG1 . 16956 1 1778 . 1 1 169 169 VAL CG2 C 13 20.1 0.3 . 1 . . . . 169 VAL CG2 . 16956 1 1779 . 1 1 169 169 VAL N N 15 120.2 0.3 . 1 . . . . 169 VAL N . 16956 1 1780 . 1 1 170 170 ILE H H 1 8.36 0.02 . 1 . . . . 170 ILE H . 16956 1 1781 . 1 1 170 170 ILE HA H 1 4.17 0.02 . 1 . . . . 170 ILE HA . 16956 1 1782 . 1 1 170 170 ILE HB H 1 1.89 0.02 . 1 . . . . 170 ILE HB . 16956 1 1783 . 1 1 170 170 ILE HD11 H 1 0.87 0.02 . 1 . . . . 170 ILE HD1 . 16956 1 1784 . 1 1 170 170 ILE HD12 H 1 0.87 0.02 . 1 . . . . 170 ILE HD1 . 16956 1 1785 . 1 1 170 170 ILE HD13 H 1 0.87 0.02 . 1 . . . . 170 ILE HD1 . 16956 1 1786 . 1 1 170 170 ILE HG12 H 1 1.54 0.02 . 2 . . . . 170 ILE HG12 . 16956 1 1787 . 1 1 170 170 ILE HG13 H 1 1.24 0.02 . 2 . . . . 170 ILE HG13 . 16956 1 1788 . 1 1 170 170 ILE HG21 H 1 0.94 0.02 . 1 . . . . 170 ILE HG2 . 16956 1 1789 . 1 1 170 170 ILE HG22 H 1 0.94 0.02 . 1 . . . . 170 ILE HG2 . 16956 1 1790 . 1 1 170 170 ILE HG23 H 1 0.94 0.02 . 1 . . . . 170 ILE HG2 . 16956 1 1791 . 1 1 170 170 ILE C C 13 176.9 0.3 . 1 . . . . 170 ILE C . 16956 1 1792 . 1 1 170 170 ILE CA C 13 61.2 0.3 . 1 . . . . 170 ILE CA . 16956 1 1793 . 1 1 170 170 ILE CB C 13 38.4 0.3 . 1 . . . . 170 ILE CB . 16956 1 1794 . 1 1 170 170 ILE CD1 C 13 12.6 0.3 . 1 . . . . 170 ILE CD1 . 16956 1 1795 . 1 1 170 170 ILE CG1 C 13 27.4 0.3 . 1 . . . . 170 ILE CG1 . 16956 1 1796 . 1 1 170 170 ILE CG2 C 13 17.4 0.3 . 1 . . . . 170 ILE CG2 . 16956 1 1797 . 1 1 170 170 ILE N N 15 126.1 0.3 . 1 . . . . 170 ILE N . 16956 1 1798 . 1 1 171 171 GLY H H 1 8.55 0.02 . 1 . . . . 171 GLY H . 16956 1 1799 . 1 1 171 171 GLY HA2 H 1 4.01 0.02 . 2 . . . . 171 GLY HA2 . 16956 1 1800 . 1 1 171 171 GLY HA3 H 1 3.95 0.02 . 2 . . . . 171 GLY HA3 . 16956 1 1801 . 1 1 171 171 GLY C C 13 173.9 0.3 . 1 . . . . 171 GLY C . 16956 1 1802 . 1 1 171 171 GLY CA C 13 45.2 0.3 . 1 . . . . 171 GLY CA . 16956 1 1803 . 1 1 171 171 GLY N N 15 114.1 0.3 . 1 . . . . 171 GLY N . 16956 1 1804 . 1 1 172 172 ALA H H 1 8.27 0.02 . 1 . . . . 172 ALA H . 16956 1 1805 . 1 1 172 172 ALA HA H 1 4.39 0.02 . 1 . . . . 172 ALA HA . 16956 1 1806 . 1 1 172 172 ALA HB1 H 1 1.43 0.02 . 1 . . . . 172 ALA HB . 16956 1 1807 . 1 1 172 172 ALA HB2 H 1 1.43 0.02 . 1 . . . . 172 ALA HB . 16956 1 1808 . 1 1 172 172 ALA HB3 H 1 1.43 0.02 . 1 . . . . 172 ALA HB . 16956 1 1809 . 1 1 172 172 ALA C C 13 178.0 0.3 . 1 . . . . 172 ALA C . 16956 1 1810 . 1 1 172 172 ALA CA C 13 52.5 0.3 . 1 . . . . 172 ALA CA . 16956 1 1811 . 1 1 172 172 ALA CB C 13 18.9 0.3 . 1 . . . . 172 ALA CB . 16956 1 1812 . 1 1 172 172 ALA N N 15 124.6 0.3 . 1 . . . . 172 ALA N . 16956 1 1813 . 1 1 173 173 SER H H 1 8.48 0.02 . 1 . . . . 173 SER H . 16956 1 1814 . 1 1 173 173 SER HA H 1 4.47 0.02 . 1 . . . . 173 SER HA . 16956 1 1815 . 1 1 173 173 SER HB2 H 1 3.98 0.02 . 2 . . . . 173 SER HB2 . 16956 1 1816 . 1 1 173 173 SER HB3 H 1 3.90 0.02 . 2 . . . . 173 SER HB3 . 16956 1 1817 . 1 1 173 173 SER C C 13 175.1 0.3 . 1 . . . . 173 SER C . 16956 1 1818 . 1 1 173 173 SER CA C 13 58.6 0.3 . 1 . . . . 173 SER CA . 16956 1 1819 . 1 1 173 173 SER CB C 13 63.7 0.3 . 1 . . . . 173 SER CB . 16956 1 1820 . 1 1 173 173 SER N N 15 115.7 0.3 . 1 . . . . 173 SER N . 16956 1 1821 . 1 1 174 174 GLY H H 1 8.46 0.02 . 1 . . . . 174 GLY H . 16956 1 1822 . 1 1 174 174 GLY HA2 H 1 4.03 0.02 . 2 . . . . 174 GLY HA2 . 16956 1 1823 . 1 1 174 174 GLY HA3 H 1 3.96 0.02 . 2 . . . . 174 GLY HA3 . 16956 1 1824 . 1 1 174 174 GLY C C 13 173.8 0.3 . 1 . . . . 174 GLY C . 16956 1 1825 . 1 1 174 174 GLY CA C 13 45.2 0.3 . 1 . . . . 174 GLY CA . 16956 1 1826 . 1 1 174 174 GLY N N 15 111.3 0.3 . 1 . . . . 174 GLY N . 16956 1 1827 . 1 1 175 175 GLN H H 1 8.30 0.02 . 1 . . . . 175 GLN H . 16956 1 1828 . 1 1 175 175 GLN HA H 1 4.32 0.02 . 1 . . . . 175 GLN HA . 16956 1 1829 . 1 1 175 175 GLN HB2 H 1 2.07 0.02 . 2 . . . . 175 GLN HB2 . 16956 1 1830 . 1 1 175 175 GLN HB3 H 1 1.96 0.02 . 2 . . . . 175 GLN HB3 . 16956 1 1831 . 1 1 175 175 GLN HE21 H 1 7.61 0.02 . 1 . . . . 175 GLN HE21 . 16956 1 1832 . 1 1 175 175 GLN HE22 H 1 6.92 0.02 . 1 . . . . 175 GLN HE22 . 16956 1 1833 . 1 1 175 175 GLN HG2 H 1 2.30 0.02 . 2 . . . . 175 GLN HG2 . 16956 1 1834 . 1 1 175 175 GLN HG3 H 1 2.27 0.02 . 2 . . . . 175 GLN HG3 . 16956 1 1835 . 1 1 175 175 GLN C C 13 176.7 0.3 . 1 . . . . 175 GLN C . 16956 1 1836 . 1 1 175 175 GLN CA C 13 56.7 0.3 . 1 . . . . 175 GLN CA . 16956 1 1837 . 1 1 175 175 GLN CB C 13 29.0 0.3 . 1 . . . . 175 GLN CB . 16956 1 1838 . 1 1 175 175 GLN CG C 13 36.1 0.3 . 1 . . . . 175 GLN CG . 16956 1 1839 . 1 1 175 175 GLN N N 15 121.3 0.3 . 1 . . . . 175 GLN N . 16956 1 1840 . 1 1 175 175 GLN NE2 N 15 113.2 0.3 . 1 . . . . 175 GLN NE2 . 16956 1 1841 . 1 1 176 176 PRO HA H 1 4.45 0.02 . 1 . . . . 176 PRO HA . 16956 1 1842 . 1 1 176 176 PRO HB2 H 1 2.32 0.02 . 2 . . . . 176 PRO HB2 . 16956 1 1843 . 1 1 176 176 PRO HB3 H 1 1.95 0.02 . 2 . . . . 176 PRO HB3 . 16956 1 1844 . 1 1 176 176 PRO HD2 H 1 3.82 0.02 . 2 . . . . 176 PRO HD2 . 16956 1 1845 . 1 1 176 176 PRO HD3 H 1 3.70 0.02 . 2 . . . . 176 PRO HD3 . 16956 1 1846 . 1 1 176 176 PRO HG2 H 1 2.05 0.02 . 2 . . . . 176 PRO HG2 . 16956 1 1847 . 1 1 176 176 PRO HG3 H 1 2.03 0.02 . 2 . . . . 176 PRO HG3 . 16956 1 1848 . 1 1 176 176 PRO C C 13 176.6 0.3 . 1 . . . . 176 PRO C . 16956 1 1849 . 1 1 176 176 PRO CA C 13 63.5 0.3 . 1 . . . . 176 PRO CA . 16956 1 1850 . 1 1 176 176 PRO CB C 13 32.1 0.3 . 1 . . . . 176 PRO CB . 16956 1 1851 . 1 1 176 176 PRO CD C 13 50.6 0.3 . 1 . . . . 176 PRO CD . 16956 1 1852 . 1 1 176 176 PRO CG C 13 27.3 0.3 . 1 . . . . 176 PRO CG . 16956 1 1853 . 1 1 177 177 ASP H H 1 8.49 0.02 . 1 . . . . 177 ASP H . 16956 1 1854 . 1 1 177 177 ASP HA H 1 4.56 0.02 . 1 . . . . 177 ASP HA . 16956 1 1855 . 1 1 177 177 ASP HB2 H 1 2.69 0.02 . 2 . . . . 177 ASP HB2 . 16956 1 1856 . 1 1 177 177 ASP HB3 H 1 2.58 0.02 . 2 . . . . 177 ASP HB3 . 16956 1 1857 . 1 1 177 177 ASP C C 13 175.6 0.3 . 1 . . . . 177 ASP C . 16956 1 1858 . 1 1 177 177 ASP CA C 13 54.2 0.3 . 1 . . . . 177 ASP CA . 16956 1 1859 . 1 1 177 177 ASP CB C 13 41.0 0.3 . 1 . . . . 177 ASP CB . 16956 1 1860 . 1 1 177 177 ASP N N 15 121.0 0.3 . 1 . . . . 177 ASP N . 16956 1 1861 . 1 1 178 178 ASP H H 1 8.21 0.02 . 1 . . . . 178 ASP H . 16956 1 1862 . 1 1 178 178 ASP HA H 1 4.91 0.02 . 1 . . . . 178 ASP HA . 16956 1 1863 . 1 1 178 178 ASP HB2 H 1 2.83 0.02 . 2 . . . . 178 ASP HB2 . 16956 1 1864 . 1 1 178 178 ASP HB3 H 1 2.76 0.02 . 2 . . . . 178 ASP HB3 . 16956 1 1865 . 1 1 178 178 ASP C C 13 174.6 0.3 . 1 . . . . 178 ASP C . 16956 1 1866 . 1 1 178 178 ASP CA C 13 52.1 0.3 . 1 . . . . 178 ASP CA . 16956 1 1867 . 1 1 178 178 ASP CB C 13 41.4 0.3 . 1 . . . . 178 ASP CB . 16956 1 1868 . 1 1 178 178 ASP N N 15 122.5 0.3 . 1 . . . . 178 ASP N . 16956 1 1869 . 1 1 179 179 PRO HA H 1 4.47 0.02 . 1 . . . . 179 PRO HA . 16956 1 1870 . 1 1 179 179 PRO HB2 H 1 2.31 0.02 . 2 . . . . 179 PRO HB2 . 16956 1 1871 . 1 1 179 179 PRO HB3 H 1 2.05 0.02 . 2 . . . . 179 PRO HB3 . 16956 1 1872 . 1 1 179 179 PRO HD2 H 1 3.89 0.02 . 2 . . . . 179 PRO HD2 . 16956 1 1873 . 1 1 179 179 PRO HD3 H 1 3.83 0.02 . 2 . . . . 179 PRO HD3 . 16956 1 1874 . 1 1 179 179 PRO HG2 H 1 2.07 0.02 . 2 . . . . 179 PRO HG2 . 16956 1 1875 . 1 1 179 179 PRO HG3 H 1 2.05 0.02 . 2 . . . . 179 PRO HG3 . 16956 1 1876 . 1 1 179 179 PRO C C 13 177.2 0.3 . 1 . . . . 179 PRO C . 16956 1 1877 . 1 1 179 179 PRO CA C 13 63.5 0.3 . 1 . . . . 179 PRO CA . 16956 1 1878 . 1 1 179 179 PRO CB C 13 31.4 0.3 . 1 . . . . 179 PRO CB . 16956 1 1879 . 1 1 179 179 PRO CD C 13 50.8 0.3 . 1 . . . . 179 PRO CD . 16956 1 1880 . 1 1 179 179 PRO CG C 13 26.7 0.3 . 1 . . . . 179 PRO CG . 16956 1 1881 . 1 1 180 180 THR H H 1 8.51 0.02 . 1 . . . . 180 THR H . 16956 1 1882 . 1 1 180 180 THR HA H 1 4.33 0.02 . 1 . . . . 180 THR HA . 16956 1 1883 . 1 1 180 180 THR HB H 1 4.24 0.02 . 1 . . . . 180 THR HB . 16956 1 1884 . 1 1 180 180 THR HG21 H 1 1.24 0.02 . 1 . . . . 180 THR HG2 . 16956 1 1885 . 1 1 180 180 THR HG22 H 1 1.24 0.02 . 1 . . . . 180 THR HG2 . 16956 1 1886 . 1 1 180 180 THR HG23 H 1 1.24 0.02 . 1 . . . . 180 THR HG2 . 16956 1 1887 . 1 1 180 180 THR C C 13 173.9 0.3 . 1 . . . . 180 THR C . 16956 1 1888 . 1 1 180 180 THR CA C 13 62.3 0.3 . 1 . . . . 180 THR CA . 16956 1 1889 . 1 1 180 180 THR CB C 13 69.9 0.3 . 1 . . . . 180 THR CB . 16956 1 1890 . 1 1 180 180 THR CG2 C 13 21.7 0.3 . 1 . . . . 180 THR CG2 . 16956 1 1891 . 1 1 180 180 THR N N 15 115.3 0.3 . 1 . . . . 180 THR N . 16956 1 1892 . 1 1 181 181 VAL H H 1 7.65 0.02 . 1 . . . . 181 VAL H . 16956 1 1893 . 1 1 181 181 VAL HA H 1 4.07 0.02 . 1 . . . . 181 VAL HA . 16956 1 1894 . 1 1 181 181 VAL HB H 1 2.11 0.02 . 1 . . . . 181 VAL HB . 16956 1 1895 . 1 1 181 181 VAL HG11 H 1 0.95 0.02 . 1 . . . . 181 VAL HG1 . 16956 1 1896 . 1 1 181 181 VAL HG12 H 1 0.95 0.02 . 1 . . . . 181 VAL HG1 . 16956 1 1897 . 1 1 181 181 VAL HG13 H 1 0.95 0.02 . 1 . . . . 181 VAL HG1 . 16956 1 1898 . 1 1 181 181 VAL HG21 H 1 0.92 0.02 . 1 . . . . 181 VAL HG2 . 16956 1 1899 . 1 1 181 181 VAL HG22 H 1 0.92 0.02 . 1 . . . . 181 VAL HG2 . 16956 1 1900 . 1 1 181 181 VAL HG23 H 1 0.92 0.02 . 1 . . . . 181 VAL HG2 . 16956 1 1901 . 1 1 181 181 VAL CA C 13 63.6 0.3 . 1 . . . . 181 VAL CA . 16956 1 1902 . 1 1 181 181 VAL CB C 13 33.0 0.3 . 1 . . . . 181 VAL CB . 16956 1 1903 . 1 1 181 181 VAL CG1 C 13 20.8 0.3 . 1 . . . . 181 VAL CG1 . 16956 1 1904 . 1 1 181 181 VAL CG2 C 13 21.3 0.3 . 1 . . . . 181 VAL CG2 . 16956 1 1905 . 1 1 181 181 VAL N N 15 126.9 0.3 . 1 . . . . 181 VAL N . 16956 1 stop_ save_