data_18725 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18725 _Entry.Title ; Structure of Faap24 residues 141-215 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-18 _Entry.Accession_date 2012-09-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Hans Wienk . . . 18725 2 Jack Slootweg . . . 18725 3 Robert Kaptein . . . 18725 4 Rolf Boelens . . . 18725 5 Gert Folkers . E. . 18725 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18725 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA-binding protein' . 18725 'Fanconi anemia' . 18725 'interstrand crosslink repair' . 18725 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18725 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 341 18725 '15N chemical shifts' 79 18725 '1H chemical shifts' 560 18725 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 . . 2013-07-29 2012-09-18 update BMRB 'update entry citation' 18725 1 . . 2013-04-29 2012-09-18 original author 'original release' 18725 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LYH 'BMRB Entry Tracking System' 18725 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18725 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23661679 _Citation.Full_citation . _Citation.Title 'The Fanconi anemia associated protein FAAP24 uses two substrate specific binding surfaces for DNA recognition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 41 _Citation.Journal_issue 13 _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 6739 _Citation.Page_last 6749 _Citation.Year 2013 _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 Hans Wienk . . . 18725 1 2 Jack Slootweg . C. . 18725 1 3 Sietske Speerstra . . . 18725 1 4 Robert Kaptein . . . 18725 1 5 Rolf Boelens . . . 18725 1 6 Gert Folkers . E. . 18725 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18725 _Assembly.ID 1 _Assembly.Name Faap24 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _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 Faap24 1 $Faap24 A . yes native no no . . . 18725 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Faap24 _Entity.Sf_category entity _Entity.Sf_framecode Faap24 _Entity.Entry_ID 18725 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Faap24 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSHMLVPRGS SKNPLLGKKRALLLSEPSLL RTVQQIPGVGKVKAPLLLQK FPSIQQLSNASIGELEQVVG QAVAQQIHAFFTQPR ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10411.190 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19303 . FAAP24_HhH2 . . . . . 64.21 63 100.00 100.00 1.33e-32 . . . . 18725 1 2 no PDB 2LYH . "Structure Of Faap24 Residues 141-215" . . . . . 103.16 98 96.94 96.94 5.32e-56 . . . . 18725 1 3 no PDB 2M9N . "Solution Structure Of (hhh)2 Domain Of Human Faap24" . . . . . 64.21 63 100.00 100.00 1.33e-32 . . . . 18725 1 4 no PDB 4BXO . "Architecture And Dna Recognition Elements Of The Fanconi Anemia Fancm-faap24 Complex" . . . . . 77.89 217 100.00 100.00 7.98e-41 . . . . 18725 1 5 no PDB 4M6W . "Crystal Structure Of The C-terminal Segment Of Fancm In Complex With Faap24" . . . . . 78.95 208 100.00 100.00 9.36e-42 . . . . 18725 1 6 no DBJ BAG54708 . "unnamed protein product [Homo sapiens]" . . . . . 78.95 215 100.00 100.00 8.34e-42 . . . . 18725 1 7 no GB AAH03535 . "Chromosome 19 open reading frame 40 [Homo sapiens]" . . . . . 78.95 215 100.00 100.00 8.34e-42 . . . . 18725 1 8 no GB AAH10170 . "Chromosome 19 open reading frame 40 [Homo sapiens]" . . . . . 78.95 215 100.00 100.00 8.34e-42 . . . . 18725 1 9 no GB AAH20247 . "Chromosome 19 open reading frame 40 [Homo sapiens]" . . . . . 78.95 215 100.00 100.00 8.34e-42 . . . . 18725 1 10 no GB ADQ32151 . "chromosome 19 open reading frame 40 [synthetic construct]" . . . . . 78.95 215 100.00 100.00 8.34e-42 . . . . 18725 1 11 no GB AIC52732 . "C19orf40, partial [synthetic construct]" . . . . . 78.95 215 100.00 100.00 8.34e-42 . . . . 18725 1 12 no REF NP_001287907 . "Fanconi anemia core complex-associated protein 24 isoform 2 [Homo sapiens]" . . . . . 78.95 120 100.00 100.00 7.25e-43 . . . . 18725 1 13 no REF NP_689479 . "Fanconi anemia core complex-associated protein 24 isoform 1 [Homo sapiens]" . . . . . 78.95 215 100.00 100.00 8.34e-42 . . . . 18725 1 14 no REF XP_002762034 . "PREDICTED: Fanconi anemia-associated protein of 24 kDa isoform X1 [Callithrix jacchus]" . . . . . 78.95 215 97.33 98.67 5.14e-40 . . . . 18725 1 15 no REF XP_003780763 . "PREDICTED: LOW QUALITY PROTEIN: Fanconi anemia-associated protein of 24 kDa [Pongo abelii]" . . . . . 78.95 215 100.00 100.00 1.02e-41 . . . . 18725 1 16 no REF XP_003816251 . "PREDICTED: Fanconi anemia core complex-associated protein 24 isoform X2 [Pan paniscus]" . . . . . 78.95 215 100.00 100.00 8.90e-42 . . . . 18725 1 17 no SP Q9BTP7 . "RecName: Full=Fanconi anemia core complex-associated protein 24; AltName: Full=Fanconi anemia-associated protein of 24 kDa" . . . . . 78.95 215 100.00 100.00 8.34e-42 . . . . 18725 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 121 MET . 18725 1 2 122 GLY . 18725 1 3 123 SER . 18725 1 4 124 SER . 18725 1 5 125 HIS . 18725 1 6 126 HIS . 18725 1 7 127 HIS . 18725 1 8 128 HIS . 18725 1 9 129 HIS . 18725 1 10 130 HIS . 18725 1 11 131 SER . 18725 1 12 132 SER . 18725 1 13 133 HIS . 18725 1 14 134 MET . 18725 1 15 135 LEU . 18725 1 16 136 VAL . 18725 1 17 137 PRO . 18725 1 18 138 ARG . 18725 1 19 139 GLY . 18725 1 20 140 SER . 18725 1 21 141 SER . 18725 1 22 142 LYS . 18725 1 23 143 ASN . 18725 1 24 144 PRO . 18725 1 25 145 LEU . 18725 1 26 146 LEU . 18725 1 27 147 GLY . 18725 1 28 148 LYS . 18725 1 29 149 LYS . 18725 1 30 150 ARG . 18725 1 31 151 ALA . 18725 1 32 152 LEU . 18725 1 33 153 LEU . 18725 1 34 154 LEU . 18725 1 35 155 SER . 18725 1 36 156 GLU . 18725 1 37 157 PRO . 18725 1 38 158 SER . 18725 1 39 159 LEU . 18725 1 40 160 LEU . 18725 1 41 161 ARG . 18725 1 42 162 THR . 18725 1 43 163 VAL . 18725 1 44 164 GLN . 18725 1 45 165 GLN . 18725 1 46 166 ILE . 18725 1 47 167 PRO . 18725 1 48 168 GLY . 18725 1 49 169 VAL . 18725 1 50 170 GLY . 18725 1 51 171 LYS . 18725 1 52 172 VAL . 18725 1 53 173 LYS . 18725 1 54 174 ALA . 18725 1 55 175 PRO . 18725 1 56 176 LEU . 18725 1 57 177 LEU . 18725 1 58 178 LEU . 18725 1 59 179 GLN . 18725 1 60 180 LYS . 18725 1 61 181 PHE . 18725 1 62 182 PRO . 18725 1 63 183 SER . 18725 1 64 184 ILE . 18725 1 65 185 GLN . 18725 1 66 186 GLN . 18725 1 67 187 LEU . 18725 1 68 188 SER . 18725 1 69 189 ASN . 18725 1 70 190 ALA . 18725 1 71 191 SER . 18725 1 72 192 ILE . 18725 1 73 193 GLY . 18725 1 74 194 GLU . 18725 1 75 195 LEU . 18725 1 76 196 GLU . 18725 1 77 197 GLN . 18725 1 78 198 VAL . 18725 1 79 199 VAL . 18725 1 80 200 GLY . 18725 1 81 201 GLN . 18725 1 82 202 ALA . 18725 1 83 203 VAL . 18725 1 84 204 ALA . 18725 1 85 205 GLN . 18725 1 86 206 GLN . 18725 1 87 207 ILE . 18725 1 88 208 HIS . 18725 1 89 209 ALA . 18725 1 90 210 PHE . 18725 1 91 211 PHE . 18725 1 92 212 THR . 18725 1 93 213 GLN . 18725 1 94 214 PRO . 18725 1 95 215 ARG . 18725 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18725 1 . GLY 2 2 18725 1 . SER 3 3 18725 1 . SER 4 4 18725 1 . HIS 5 5 18725 1 . HIS 6 6 18725 1 . HIS 7 7 18725 1 . HIS 8 8 18725 1 . HIS 9 9 18725 1 . HIS 10 10 18725 1 . SER 11 11 18725 1 . SER 12 12 18725 1 . HIS 13 13 18725 1 . MET 14 14 18725 1 . LEU 15 15 18725 1 . VAL 16 16 18725 1 . PRO 17 17 18725 1 . ARG 18 18 18725 1 . GLY 19 19 18725 1 . SER 20 20 18725 1 . SER 21 21 18725 1 . LYS 22 22 18725 1 . ASN 23 23 18725 1 . PRO 24 24 18725 1 . LEU 25 25 18725 1 . LEU 26 26 18725 1 . GLY 27 27 18725 1 . LYS 28 28 18725 1 . LYS 29 29 18725 1 . ARG 30 30 18725 1 . ALA 31 31 18725 1 . LEU 32 32 18725 1 . LEU 33 33 18725 1 . LEU 34 34 18725 1 . SER 35 35 18725 1 . GLU 36 36 18725 1 . PRO 37 37 18725 1 . SER 38 38 18725 1 . LEU 39 39 18725 1 . LEU 40 40 18725 1 . ARG 41 41 18725 1 . THR 42 42 18725 1 . VAL 43 43 18725 1 . GLN 44 44 18725 1 . GLN 45 45 18725 1 . ILE 46 46 18725 1 . PRO 47 47 18725 1 . GLY 48 48 18725 1 . VAL 49 49 18725 1 . GLY 50 50 18725 1 . LYS 51 51 18725 1 . VAL 52 52 18725 1 . LYS 53 53 18725 1 . ALA 54 54 18725 1 . PRO 55 55 18725 1 . LEU 56 56 18725 1 . LEU 57 57 18725 1 . LEU 58 58 18725 1 . GLN 59 59 18725 1 . LYS 60 60 18725 1 . PHE 61 61 18725 1 . PRO 62 62 18725 1 . SER 63 63 18725 1 . ILE 64 64 18725 1 . GLN 65 65 18725 1 . GLN 66 66 18725 1 . LEU 67 67 18725 1 . SER 68 68 18725 1 . ASN 69 69 18725 1 . ALA 70 70 18725 1 . SER 71 71 18725 1 . ILE 72 72 18725 1 . GLY 73 73 18725 1 . GLU 74 74 18725 1 . LEU 75 75 18725 1 . GLU 76 76 18725 1 . GLN 77 77 18725 1 . VAL 78 78 18725 1 . VAL 79 79 18725 1 . GLY 80 80 18725 1 . GLN 81 81 18725 1 . ALA 82 82 18725 1 . VAL 83 83 18725 1 . ALA 84 84 18725 1 . GLN 85 85 18725 1 . GLN 86 86 18725 1 . ILE 87 87 18725 1 . HIS 88 88 18725 1 . ALA 89 89 18725 1 . PHE 90 90 18725 1 . PHE 91 91 18725 1 . THR 92 92 18725 1 . GLN 93 93 18725 1 . PRO 94 94 18725 1 . ARG 95 95 18725 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18725 _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 $Faap24 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18725 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 18725 _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 $Faap24 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pLICHIS . . . . . . 18725 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18725 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 FAAP24 '[U-100% 13C; U-100% 15N]' . . 1 $Faap24 . . 0.2 . . mM . . . . 18725 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18725 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18725 1 4 PMSF 'natural abundance' . . . . . . 0.2 . . mM . . . . 18725 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18725 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18725 1 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 18725 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 18725 1 pressure 1 . atm 18725 1 temperature 298 . K 18725 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18725 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18725 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18725 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18725 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18725 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18725 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18725 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18725 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18725 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18725 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18725 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18725 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18725 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18725 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18725 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18725 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18725 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18725 6 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 18725 _Software.ID 7 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 18725 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18725 7 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 18725 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18725 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18725 _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 . 500 . . . 18725 1 2 spectrometer_2 Bruker Avance . 600 . . . 18725 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 18725 _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 . . . . . . . . . . . . . . . . . . . . . 18725 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18725 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 18725 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18725 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18725 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18725 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 18725 _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' . . . 18725 1 2 '2D 1H-13C HSQC' . . . 18725 1 3 '2D 1H-1H NOESY' . . . 18725 1 4 '3D CBCA(CO)NH' . . . 18725 1 5 '3D HNCO' . . . 18725 1 6 '3D HNCA' . . . 18725 1 7 '3D HNCACB' . . . 18725 1 8 '3D HBHA(CO)NH' . . . 18725 1 9 '3D H(CCO)NH' . . . 18725 1 10 '3D HCCH-TOCSY' . . . 18725 1 11 '3D 1H-15N NOESY' . . . 18725 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 13 13 HIS HA H 1 4.549 0.003 . 1 . . . A 133 HIS HA . 18725 1 2 . 1 1 13 13 HIS HB2 H 1 3.098 0.117 . 1 . . . A 133 HIS HB2 . 18725 1 3 . 1 1 13 13 HIS HB3 H 1 3.003 0.148 . 1 . . . A 133 HIS HB3 . 18725 1 4 . 1 1 13 13 HIS C C 13 172.275 0.023 . 1 . . . A 133 HIS C . 18725 1 5 . 1 1 13 13 HIS CA C 13 56.202 0.001 . 1 . . . A 133 HIS CA . 18725 1 6 . 1 1 13 13 HIS CB C 13 30.294 0.006 . 1 . . . A 133 HIS CB . 18725 1 7 . 1 1 14 14 MET H H 1 8.098 0.007 . 1 . . . A 134 MET H . 18725 1 8 . 1 1 14 14 MET HA H 1 4.357 0.006 . 1 . . . A 134 MET HA . 18725 1 9 . 1 1 14 14 MET HB2 H 1 1.984 0.075 . 1 . . . A 134 MET HB2 . 18725 1 10 . 1 1 14 14 MET HB3 H 1 1.902 0.141 . 1 . . . A 134 MET HB3 . 18725 1 11 . 1 1 14 14 MET HG2 H 1 2.426 0.036 . 1 . . . A 134 MET HG2 . 18725 1 12 . 1 1 14 14 MET HG3 H 1 2.369 0.033 . 1 . . . A 134 MET HG3 . 18725 1 13 . 1 1 14 14 MET HE1 H 1 2.035 0.003 . 1 . . . A 134 MET HE1 . 18725 1 14 . 1 1 14 14 MET HE2 H 1 2.035 0.005 . 1 . . . A 134 MET HE2 . 18725 1 15 . 1 1 14 14 MET HE3 H 1 2.035 0.007 . 1 . . . A 134 MET HE3 . 18725 1 16 . 1 1 14 14 MET C C 13 172.968 0.010 . 1 . . . A 134 MET C . 18725 1 17 . 1 1 14 14 MET CA C 13 55.497 0.013 . 1 . . . A 134 MET CA . 18725 1 18 . 1 1 14 14 MET CB C 13 32.805 0.011 . 1 . . . A 134 MET CB . 18725 1 19 . 1 1 14 14 MET CG C 13 31.841 0.015 . 1 . . . A 134 MET CG . 18725 1 20 . 1 1 14 14 MET CE C 13 16.858 0.058 . 1 . . . A 134 MET CE . 18725 1 21 . 1 1 14 14 MET N N 15 120.816 0.007 . 1 . . . A 134 MET N . 18725 1 22 . 1 1 15 15 LEU H H 1 8.193 0.005 . 1 . . . A 135 LEU H . 18725 1 23 . 1 1 15 15 LEU HA H 1 4.321 0.004 . 1 . . . A 135 LEU HA . 18725 1 24 . 1 1 15 15 LEU HB2 H 1 1.567 0.078 . 1 . . . A 135 LEU HB2 . 18725 1 25 . 1 1 15 15 LEU HB3 H 1 1.567 0.111 . 1 . . . A 135 LEU HB3 . 18725 1 26 . 1 1 15 15 LEU HG H 1 1.573 0.081 . 1 . . . A 135 LEU HG . 18725 1 27 . 1 1 15 15 LEU HD11 H 1 0.883 0.053 . 1 . . . A 135 LEU HD11 . 18725 1 28 . 1 1 15 15 LEU HD12 H 1 0.883 0.020 . 1 . . . A 135 LEU HD12 . 18725 1 29 . 1 1 15 15 LEU HD13 H 1 0.883 0.004 . 1 . . . A 135 LEU HD13 . 18725 1 30 . 1 1 15 15 LEU HD21 H 1 0.828 0.017 . 1 . . . A 135 LEU HD21 . 18725 1 31 . 1 1 15 15 LEU HD22 H 1 0.828 0.008 . 1 . . . A 135 LEU HD22 . 18725 1 32 . 1 1 15 15 LEU HD23 H 1 0.828 0.003 . 1 . . . A 135 LEU HD23 . 18725 1 33 . 1 1 15 15 LEU C C 13 174.116 0.005 . 1 . . . A 135 LEU C . 18725 1 34 . 1 1 15 15 LEU CA C 13 55.163 0.101 . 1 . . . A 135 LEU CA . 18725 1 35 . 1 1 15 15 LEU CB C 13 42.265 0.007 . 1 . . . A 135 LEU CB . 18725 1 36 . 1 1 15 15 LEU CG C 13 27.032 0.000 . 1 . . . A 135 LEU CG . 18725 1 37 . 1 1 15 15 LEU CD1 C 13 24.799 0.059 . 1 . . . A 135 LEU CD1 . 18725 1 38 . 1 1 15 15 LEU CD2 C 13 23.507 0.107 . 1 . . . A 135 LEU CD2 . 18725 1 39 . 1 1 15 15 LEU N N 15 123.498 0.097 . 1 . . . A 135 LEU N . 18725 1 40 . 1 1 16 16 VAL H H 1 8.018 0.008 . 1 . . . A 136 VAL H . 18725 1 41 . 1 1 16 16 VAL HA H 1 4.369 0.007 . 1 . . . A 136 VAL HA . 18725 1 42 . 1 1 16 16 VAL HB H 1 2.018 0.008 . 1 . . . A 136 VAL HB . 18725 1 43 . 1 1 16 16 VAL HG11 H 1 0.892 0.085 . 1 . . . A 136 VAL HG11 . 18725 1 44 . 1 1 16 16 VAL HG12 H 1 0.892 0.010 . 1 . . . A 136 VAL HG12 . 18725 1 45 . 1 1 16 16 VAL HG13 H 1 0.892 0.000 . 1 . . . A 136 VAL HG13 . 18725 1 46 . 1 1 16 16 VAL HG21 H 1 0.892 0.121 . 1 . . . A 136 VAL HG21 . 18725 1 47 . 1 1 16 16 VAL HG22 H 1 0.892 0.168 . 1 . . . A 136 VAL HG22 . 18725 1 48 . 1 1 16 16 VAL HG23 H 1 0.892 0.001 . 1 . . . A 136 VAL HG23 . 18725 1 49 . 1 1 16 16 VAL C C 13 171.506 0.000 . 1 . . . A 136 VAL C . 18725 1 50 . 1 1 16 16 VAL CA C 13 59.696 0.000 . 1 . . . A 136 VAL CA . 18725 1 51 . 1 1 16 16 VAL CB C 13 32.731 0.024 . 1 . . . A 136 VAL CB . 18725 1 52 . 1 1 16 16 VAL CG1 C 13 20.418 0.082 . 1 . . . A 136 VAL CG1 . 18725 1 53 . 1 1 16 16 VAL CG2 C 13 20.418 0.104 . 1 . . . A 136 VAL CG2 . 18725 1 54 . 1 1 16 16 VAL N N 15 122.469 0.053 . 1 . . . A 136 VAL N . 18725 1 55 . 1 1 17 17 PRO HA H 1 4.358 0.001 . 1 . . . A 137 PRO HA . 18725 1 56 . 1 1 17 17 PRO HB2 H 1 2.182 0.042 . 1 . . . A 137 PRO HB2 . 18725 1 57 . 1 1 17 17 PRO HB3 H 1 1.786 0.010 . 1 . . . A 137 PRO HB3 . 18725 1 58 . 1 1 17 17 PRO C C 13 174.241 0.089 . 1 . . . A 137 PRO C . 18725 1 59 . 1 1 17 17 PRO CA C 13 63.031 0.008 . 1 . . . A 137 PRO CA . 18725 1 60 . 1 1 17 17 PRO CB C 13 31.916 0.007 . 1 . . . A 137 PRO CB . 18725 1 61 . 1 1 18 18 ARG H H 1 8.449 0.003 . 1 . . . A 138 ARG H . 18725 1 62 . 1 1 18 18 ARG HA H 1 4.247 0.001 . 1 . . . A 138 ARG HA . 18725 1 63 . 1 1 18 18 ARG HB2 H 1 1.786 0.036 . 1 . . . A 138 ARG HB2 . 18725 1 64 . 1 1 18 18 ARG HB3 H 1 1.786 0.003 . 1 . . . A 138 ARG HB3 . 18725 1 65 . 1 1 18 18 ARG HG2 H 1 1.610 0.012 . 1 . . . A 138 ARG HG2 . 18725 1 66 . 1 1 18 18 ARG HG3 H 1 1.610 0.003 . 1 . . . A 138 ARG HG3 . 18725 1 67 . 1 1 18 18 ARG HD2 H 1 3.173 0.167 . 1 . . . A 138 ARG HD2 . 18725 1 68 . 1 1 18 18 ARG HD3 H 1 3.173 0.033 . 1 . . . A 138 ARG HD3 . 18725 1 69 . 1 1 18 18 ARG C C 13 174.361 0.074 . 1 . . . A 138 ARG C . 18725 1 70 . 1 1 18 18 ARG CA C 13 56.496 0.064 . 1 . . . A 138 ARG CA . 18725 1 71 . 1 1 18 18 ARG CB C 13 30.731 0.003 . 1 . . . A 138 ARG CB . 18725 1 72 . 1 1 18 18 ARG CG C 13 27.064 0.087 . 1 . . . A 138 ARG CG . 18725 1 73 . 1 1 18 18 ARG CD C 13 43.300 0.000 . 1 . . . A 138 ARG CD . 18725 1 74 . 1 1 18 18 ARG N N 15 121.990 0.103 . 1 . . . A 138 ARG N . 18725 1 75 . 1 1 19 19 GLY H H 1 8.485 0.110 . 1 . . . A 139 GLY H . 18725 1 76 . 1 1 19 19 GLY HA2 H 1 3.931 0.005 . 1 . . . A 139 GLY HA2 . 18725 1 77 . 1 1 19 19 GLY HA3 H 1 3.898 0.008 . 1 . . . A 139 GLY HA3 . 18725 1 78 . 1 1 19 19 GLY C C 13 171.411 0.087 . 1 . . . A 139 GLY C . 18725 1 79 . 1 1 19 19 GLY CA C 13 45.260 0.018 . 1 . . . A 139 GLY CA . 18725 1 80 . 1 1 19 19 GLY N N 15 110.513 0.004 . 1 . . . A 139 GLY N . 18725 1 81 . 1 1 20 20 SER H H 1 8.156 0.049 . 1 . . . A 140 SER H . 18725 1 82 . 1 1 20 20 SER C C 13 171.654 0.134 . 1 . . . A 140 SER C . 18725 1 83 . 1 1 20 20 SER CA C 13 58.455 0.005 . 1 . . . A 140 SER CA . 18725 1 84 . 1 1 20 20 SER CB C 13 64.052 0.015 . 1 . . . A 140 SER CB . 18725 1 85 . 1 1 20 20 SER N N 15 115.549 0.086 . 1 . . . A 140 SER N . 18725 1 86 . 1 1 21 21 SER H H 1 8.276 0.018 . 1 . . . A 141 SER H . 18725 1 87 . 1 1 21 21 SER HA H 1 4.311 0.000 . 1 . . . A 141 SER HA . 18725 1 88 . 1 1 21 21 SER HB2 H 1 3.836 0.010 . 1 . . . A 141 SER HB2 . 18725 1 89 . 1 1 21 21 SER HB3 H 1 3.836 0.057 . 1 . . . A 141 SER HB3 . 18725 1 90 . 1 1 21 21 SER C C 13 172.089 0.005 . 1 . . . A 141 SER C . 18725 1 91 . 1 1 21 21 SER CA C 13 58.751 0.003 . 1 . . . A 141 SER CA . 18725 1 92 . 1 1 21 21 SER CB C 13 63.675 0.005 . 1 . . . A 141 SER CB . 18725 1 93 . 1 1 21 21 SER N N 15 123.689 0.005 . 1 . . . A 141 SER N . 18725 1 94 . 1 1 22 22 LYS H H 1 8.255 0.006 . 1 . . . A 142 LYS H . 18725 1 95 . 1 1 22 22 LYS HA H 1 4.281 0.004 . 1 . . . A 142 LYS HA . 18725 1 96 . 1 1 22 22 LYS HB2 H 1 1.736 0.050 . 1 . . . A 142 LYS HB2 . 18725 1 97 . 1 1 22 22 LYS HB3 H 1 1.736 0.004 . 1 . . . A 142 LYS HB3 . 18725 1 98 . 1 1 22 22 LYS C C 13 173.230 0.000 . 1 . . . A 142 LYS C . 18725 1 99 . 1 1 22 22 LYS CA C 13 56.080 0.198 . 1 . . . A 142 LYS CA . 18725 1 100 . 1 1 22 22 LYS CB C 13 32.971 0.099 . 1 . . . A 142 LYS CB . 18725 1 101 . 1 1 22 22 LYS N N 15 122.762 0.008 . 1 . . . A 142 LYS N . 18725 1 102 . 1 1 23 23 ASN H H 1 8.251 0.015 . 1 . . . A 143 ASN H . 18725 1 103 . 1 1 23 23 ASN HA H 1 4.901 0.013 . 1 . . . A 143 ASN HA . 18725 1 104 . 1 1 23 23 ASN HB2 H 1 2.834 0.018 . 1 . . . A 143 ASN HB2 . 18725 1 105 . 1 1 23 23 ASN HB3 H 1 2.685 0.094 . 1 . . . A 143 ASN HB3 . 18725 1 106 . 1 1 23 23 ASN HD21 H 1 7.693 0.149 . 1 . . . A 143 ASN HD21 . 18725 1 107 . 1 1 23 23 ASN HD22 H 1 6.969 0.002 . 1 . . . A 143 ASN HD22 . 18725 1 108 . 1 1 23 23 ASN C C 13 171.174 0.015 . 1 . . . A 143 ASN C . 18725 1 109 . 1 1 23 23 ASN CA C 13 51.156 0.071 . 1 . . . A 143 ASN CA . 18725 1 110 . 1 1 23 23 ASN CB C 13 38.944 0.013 . 1 . . . A 143 ASN CB . 18725 1 111 . 1 1 23 23 ASN N N 15 120.224 0.029 . 1 . . . A 143 ASN N . 18725 1 112 . 1 1 23 23 ASN ND2 N 15 112.903 0.063 . 1 . . . A 143 ASN ND2 . 18725 1 113 . 1 1 24 24 PRO HA H 1 4.359 0.160 . 1 . . . A 144 PRO HA . 18725 1 114 . 1 1 24 24 PRO HB2 H 1 2.280 0.009 . 1 . . . A 144 PRO HB2 . 18725 1 115 . 1 1 24 24 PRO HB3 H 1 1.921 0.016 . 1 . . . A 144 PRO HB3 . 18725 1 116 . 1 1 24 24 PRO C C 13 174.460 0.085 . 1 . . . A 144 PRO C . 18725 1 117 . 1 1 24 24 PRO CA C 13 63.616 0.019 . 1 . . . A 144 PRO CA . 18725 1 118 . 1 1 24 24 PRO CB C 13 31.988 0.005 . 1 . . . A 144 PRO CB . 18725 1 119 . 1 1 25 25 LEU H H 1 8.132 0.071 . 1 . . . A 145 LEU H . 18725 1 120 . 1 1 25 25 LEU HA H 1 4.232 0.004 . 1 . . . A 145 LEU HA . 18725 1 121 . 1 1 25 25 LEU HB2 H 1 1.588 0.198 . 1 . . . A 145 LEU HB2 . 18725 1 122 . 1 1 25 25 LEU HB3 H 1 1.588 0.006 . 1 . . . A 145 LEU HB3 . 18725 1 123 . 1 1 25 25 LEU C C 13 174.882 0.000 . 1 . . . A 145 LEU C . 18725 1 124 . 1 1 25 25 LEU CA C 13 55.496 0.000 . 1 . . . A 145 LEU CA . 18725 1 125 . 1 1 25 25 LEU CB C 13 41.789 0.003 . 1 . . . A 145 LEU CB . 18725 1 126 . 1 1 25 25 LEU N N 15 120.059 0.061 . 1 . . . A 145 LEU N . 18725 1 127 . 1 1 26 26 LEU H H 1 7.768 0.013 . 1 . . . A 146 LEU H . 18725 1 128 . 1 1 26 26 LEU HA H 1 4.275 0.059 . 1 . . . A 146 LEU HA . 18725 1 129 . 1 1 26 26 LEU HB2 H 1 1.622 0.080 . 1 . . . A 146 LEU HB2 . 18725 1 130 . 1 1 26 26 LEU HB3 H 1 1.622 0.003 . 1 . . . A 146 LEU HB3 . 18725 1 131 . 1 1 26 26 LEU C C 13 175.130 0.009 . 1 . . . A 146 LEU C . 18725 1 132 . 1 1 26 26 LEU CA C 13 55.386 0.027 . 1 . . . A 146 LEU CA . 18725 1 133 . 1 1 26 26 LEU CB C 13 42.294 0.005 . 1 . . . A 146 LEU CB . 18725 1 134 . 1 1 26 26 LEU N N 15 121.075 0.000 . 1 . . . A 146 LEU N . 18725 1 135 . 1 1 27 27 GLY H H 1 8.241 0.036 . 1 . . . A 147 GLY H . 18725 1 136 . 1 1 27 27 GLY HA2 H 1 3.898 0.067 . 1 . . . A 147 GLY HA2 . 18725 1 137 . 1 1 27 27 GLY HA3 H 1 3.898 0.065 . 1 . . . A 147 GLY HA3 . 18725 1 138 . 1 1 27 27 GLY C C 13 171.604 0.005 . 1 . . . A 147 GLY C . 18725 1 139 . 1 1 27 27 GLY CA C 13 45.416 0.008 . 1 . . . A 147 GLY CA . 18725 1 140 . 1 1 27 27 GLY N N 15 109.343 0.090 . 1 . . . A 147 GLY N . 18725 1 141 . 1 1 28 28 LYS H H 1 8.080 0.005 . 1 . . . A 148 LYS H . 18725 1 142 . 1 1 28 28 LYS CA C 13 56.539 0.012 . 1 . . . A 148 LYS CA . 18725 1 143 . 1 1 28 28 LYS CB C 13 32.892 0.036 . 1 . . . A 148 LYS CB . 18725 1 144 . 1 1 28 28 LYS N N 15 120.898 0.038 . 1 . . . A 148 LYS N . 18725 1 145 . 1 1 29 29 LYS H H 1 8.278 0.003 . 1 . . . A 149 LYS H . 18725 1 146 . 1 1 29 29 LYS HA H 1 4.226 0.009 . 1 . . . A 149 LYS HA . 18725 1 147 . 1 1 29 29 LYS HB2 H 1 1.756 0.008 . 1 . . . A 149 LYS HB2 . 18725 1 148 . 1 1 29 29 LYS HB3 H 1 1.756 0.107 . 1 . . . A 149 LYS HB3 . 18725 1 149 . 1 1 29 29 LYS HG2 H 1 1.433 0.013 . 1 . . . A 149 LYS HG2 . 18725 1 150 . 1 1 29 29 LYS HG3 H 1 1.433 0.075 . 1 . . . A 149 LYS HG3 . 18725 1 151 . 1 1 29 29 LYS C C 13 174.134 0.031 . 1 . . . A 149 LYS C . 18725 1 152 . 1 1 29 29 LYS CA C 13 56.672 0.005 . 1 . . . A 149 LYS CA . 18725 1 153 . 1 1 29 29 LYS CB C 13 32.888 0.000 . 1 . . . A 149 LYS CB . 18725 1 154 . 1 1 29 29 LYS N N 15 121.952 0.064 . 1 . . . A 149 LYS N . 18725 1 155 . 1 1 30 30 ARG H H 1 8.267 0.005 . 1 . . . A 150 ARG H . 18725 1 156 . 1 1 30 30 ARG HA H 1 4.194 0.000 . 1 . . . A 150 ARG HA . 18725 1 157 . 1 1 30 30 ARG HB2 H 1 1.753 0.000 . 1 . . . A 150 ARG HB2 . 18725 1 158 . 1 1 30 30 ARG HB3 H 1 1.753 0.062 . 1 . . . A 150 ARG HB3 . 18725 1 159 . 1 1 30 30 ARG C C 13 173.380 0.086 . 1 . . . A 150 ARG C . 18725 1 160 . 1 1 30 30 ARG CA C 13 56.557 0.026 . 1 . . . A 150 ARG CA . 18725 1 161 . 1 1 30 30 ARG CB C 13 30.691 0.003 . 1 . . . A 150 ARG CB . 18725 1 162 . 1 1 30 30 ARG N N 15 122.068 0.008 . 1 . . . A 150 ARG N . 18725 1 163 . 1 1 31 31 ALA H H 1 8.233 0.007 . 1 . . . A 151 ALA H . 18725 1 164 . 1 1 31 31 ALA HA H 1 4.215 0.078 . 1 . . . A 151 ALA HA . 18725 1 165 . 1 1 31 31 ALA HB1 H 1 1.339 0.007 . 1 . . . A 151 ALA HB1 . 18725 1 166 . 1 1 31 31 ALA HB2 H 1 1.339 0.010 . 1 . . . A 151 ALA HB2 . 18725 1 167 . 1 1 31 31 ALA HB3 H 1 1.339 0.014 . 1 . . . A 151 ALA HB3 . 18725 1 168 . 1 1 31 31 ALA C C 13 175.013 0.075 . 1 . . . A 151 ALA C . 18725 1 169 . 1 1 31 31 ALA CA C 13 52.718 0.086 . 1 . . . A 151 ALA CA . 18725 1 170 . 1 1 31 31 ALA CB C 13 19.103 0.005 . 1 . . . A 151 ALA CB . 18725 1 171 . 1 1 31 31 ALA N N 15 124.570 0.011 . 1 . . . A 151 ALA N . 18725 1 172 . 1 1 32 32 LEU H H 1 8.074 0.108 . 1 . . . A 152 LEU H . 18725 1 173 . 1 1 32 32 LEU HA H 1 4.271 0.016 . 1 . . . A 152 LEU HA . 18725 1 174 . 1 1 32 32 LEU HB2 H 1 1.577 0.007 . 1 . . . A 152 LEU HB2 . 18725 1 175 . 1 1 32 32 LEU HB3 H 1 1.577 0.030 . 1 . . . A 152 LEU HB3 . 18725 1 176 . 1 1 32 32 LEU HD11 H 1 0.884 0.067 . 1 . . . A 152 LEU HD11 . 18725 1 177 . 1 1 32 32 LEU HD12 H 1 0.884 0.108 . 1 . . . A 152 LEU HD12 . 18725 1 178 . 1 1 32 32 LEU HD13 H 1 0.884 0.003 . 1 . . . A 152 LEU HD13 . 18725 1 179 . 1 1 32 32 LEU HD21 H 1 0.884 0.008 . 1 . . . A 152 LEU HD21 . 18725 1 180 . 1 1 32 32 LEU HD22 H 1 0.884 0.071 . 1 . . . A 152 LEU HD22 . 18725 1 181 . 1 1 32 32 LEU HD23 H 1 0.884 0.007 . 1 . . . A 152 LEU HD23 . 18725 1 182 . 1 1 32 32 LEU C C 13 174.537 0.000 . 1 . . . A 152 LEU C . 18725 1 183 . 1 1 32 32 LEU CA C 13 55.483 0.201 . 1 . . . A 152 LEU CA . 18725 1 184 . 1 1 32 32 LEU CB C 13 42.316 0.081 . 1 . . . A 152 LEU CB . 18725 1 185 . 1 1 32 32 LEU N N 15 121.127 0.028 . 1 . . . A 152 LEU N . 18725 1 186 . 1 1 33 33 LEU H H 1 8.120 0.012 . 1 . . . A 153 LEU H . 18725 1 187 . 1 1 33 33 LEU HA H 1 4.259 0.012 . 1 . . . A 153 LEU HA . 18725 1 188 . 1 1 33 33 LEU HB2 H 1 1.577 0.005 . 1 . . . A 153 LEU HB2 . 18725 1 189 . 1 1 33 33 LEU HB3 H 1 1.577 0.009 . 1 . . . A 153 LEU HB3 . 18725 1 190 . 1 1 33 33 LEU HD11 H 1 0.891 0.116 . 1 . . . A 153 LEU HD11 . 18725 1 191 . 1 1 33 33 LEU HD12 H 1 0.891 0.012 . 1 . . . A 153 LEU HD12 . 18725 1 192 . 1 1 33 33 LEU HD13 H 1 0.891 0.004 . 1 . . . A 153 LEU HD13 . 18725 1 193 . 1 1 33 33 LEU HD21 H 1 0.840 0.132 . 1 . . . A 153 LEU HD21 . 18725 1 194 . 1 1 33 33 LEU HD22 H 1 0.840 0.049 . 1 . . . A 153 LEU HD22 . 18725 1 195 . 1 1 33 33 LEU HD23 H 1 0.840 0.058 . 1 . . . A 153 LEU HD23 . 18725 1 196 . 1 1 33 33 LEU C C 13 174.440 0.040 . 1 . . . A 153 LEU C . 18725 1 197 . 1 1 33 33 LEU CA C 13 55.333 0.013 . 1 . . . A 153 LEU CA . 18725 1 198 . 1 1 33 33 LEU CB C 13 42.213 0.005 . 1 . . . A 153 LEU CB . 18725 1 199 . 1 1 33 33 LEU CD1 C 13 24.905 0.011 . 1 . . . A 153 LEU CD1 . 18725 1 200 . 1 1 33 33 LEU N N 15 122.758 0.011 . 1 . . . A 153 LEU N . 18725 1 201 . 1 1 34 34 LEU H H 1 8.113 0.005 . 1 . . . A 154 LEU H . 18725 1 202 . 1 1 34 34 LEU HA H 1 4.335 0.008 . 1 . . . A 154 LEU HA . 18725 1 203 . 1 1 34 34 LEU HB2 H 1 1.597 0.013 . 1 . . . A 154 LEU HB2 . 18725 1 204 . 1 1 34 34 LEU HB3 H 1 1.597 0.167 . 1 . . . A 154 LEU HB3 . 18725 1 205 . 1 1 34 34 LEU HD11 H 1 0.857 0.092 . 1 . . . A 154 LEU HD11 . 18725 1 206 . 1 1 34 34 LEU HD12 H 1 0.857 0.006 . 1 . . . A 154 LEU HD12 . 18725 1 207 . 1 1 34 34 LEU HD13 H 1 0.857 0.009 . 1 . . . A 154 LEU HD13 . 18725 1 208 . 1 1 34 34 LEU HD21 H 1 0.857 0.010 . 1 . . . A 154 LEU HD21 . 18725 1 209 . 1 1 34 34 LEU HD22 H 1 0.857 0.014 . 1 . . . A 154 LEU HD22 . 18725 1 210 . 1 1 34 34 LEU HD23 H 1 0.857 0.094 . 1 . . . A 154 LEU HD23 . 18725 1 211 . 1 1 34 34 LEU C C 13 174.442 0.004 . 1 . . . A 154 LEU C . 18725 1 212 . 1 1 34 34 LEU CA C 13 55.120 0.004 . 1 . . . A 154 LEU CA . 18725 1 213 . 1 1 34 34 LEU CB C 13 42.321 0.078 . 1 . . . A 154 LEU CB . 18725 1 214 . 1 1 34 34 LEU N N 15 122.436 0.079 . 1 . . . A 154 LEU N . 18725 1 215 . 1 1 35 35 SER H H 1 8.085 0.045 . 1 . . . A 155 SER H . 18725 1 216 . 1 1 35 35 SER HA H 1 4.394 0.006 . 1 . . . A 155 SER HA . 18725 1 217 . 1 1 35 35 SER HB2 H 1 3.815 0.009 . 1 . . . A 155 SER HB2 . 18725 1 218 . 1 1 35 35 SER HB3 H 1 3.815 0.007 . 1 . . . A 155 SER HB3 . 18725 1 219 . 1 1 35 35 SER C C 13 171.305 0.016 . 1 . . . A 155 SER C . 18725 1 220 . 1 1 35 35 SER CA C 13 58.354 0.156 . 1 . . . A 155 SER CA . 18725 1 221 . 1 1 35 35 SER CB C 13 63.907 0.004 . 1 . . . A 155 SER CB . 18725 1 222 . 1 1 35 35 SER N N 15 115.934 0.004 . 1 . . . A 155 SER N . 18725 1 223 . 1 1 36 36 GLU H H 1 8.300 0.044 . 1 . . . A 156 GLU H . 18725 1 224 . 1 1 36 36 GLU HA H 1 4.524 0.051 . 1 . . . A 156 GLU HA . 18725 1 225 . 1 1 36 36 GLU HB2 H 1 1.979 0.057 . 1 . . . A 156 GLU HB2 . 18725 1 226 . 1 1 36 36 GLU HB3 H 1 1.859 0.068 . 1 . . . A 156 GLU HB3 . 18725 1 227 . 1 1 36 36 GLU HG2 H 1 2.238 0.013 . 1 . . . A 156 GLU HG2 . 18725 1 228 . 1 1 36 36 GLU HG3 H 1 2.238 0.011 . 1 . . . A 156 GLU HG3 . 18725 1 229 . 1 1 36 36 GLU C C 13 172.238 0.005 . 1 . . . A 156 GLU C . 18725 1 230 . 1 1 36 36 GLU CA C 13 54.405 0.005 . 1 . . . A 156 GLU CA . 18725 1 231 . 1 1 36 36 GLU CB C 13 29.734 0.009 . 1 . . . A 156 GLU CB . 18725 1 232 . 1 1 36 36 GLU CG C 13 36.011 0.007 . 1 . . . A 156 GLU CG . 18725 1 233 . 1 1 36 36 GLU N N 15 123.889 0.035 . 1 . . . A 156 GLU N . 18725 1 234 . 1 1 37 37 PRO HA H 1 4.367 0.000 . 1 . . . A 157 PRO HA . 18725 1 235 . 1 1 37 37 PRO HB2 H 1 2.264 0.013 . 1 . . . A 157 PRO HB2 . 18725 1 236 . 1 1 37 37 PRO HB3 H 1 1.898 0.011 . 1 . . . A 157 PRO HB3 . 18725 1 237 . 1 1 37 37 PRO HG2 H 1 1.987 0.067 . 1 . . . A 157 PRO HG2 . 18725 1 238 . 1 1 37 37 PRO HG3 H 1 1.987 0.061 . 1 . . . A 157 PRO HG3 . 18725 1 239 . 1 1 37 37 PRO HD2 H 1 3.775 0.050 . 1 . . . A 157 PRO HD2 . 18725 1 240 . 1 1 37 37 PRO HD3 H 1 3.677 0.103 . 1 . . . A 157 PRO HD3 . 18725 1 241 . 1 1 37 37 PRO C C 13 175.106 0.006 . 1 . . . A 157 PRO C . 18725 1 242 . 1 1 37 37 PRO CA C 13 63.568 0.005 . 1 . . . A 157 PRO CA . 18725 1 243 . 1 1 37 37 PRO CB C 13 32.072 0.100 . 1 . . . A 157 PRO CB . 18725 1 244 . 1 1 37 37 PRO CG C 13 27.354 0.010 . 1 . . . A 157 PRO CG . 18725 1 245 . 1 1 37 37 PRO CD C 13 50.775 0.008 . 1 . . . A 157 PRO CD . 18725 1 246 . 1 1 38 38 SER H H 1 8.356 0.012 . 1 . . . A 158 SER H . 18725 1 247 . 1 1 38 38 SER HA H 1 4.341 0.000 . 1 . . . A 158 SER HA . 18725 1 248 . 1 1 38 38 SER HB2 H 1 4.013 0.040 . 1 . . . A 158 SER HB2 . 18725 1 249 . 1 1 38 38 SER HB3 H 1 3.920 0.060 . 1 . . . A 158 SER HB3 . 18725 1 250 . 1 1 38 38 SER C C 13 173.174 0.029 . 1 . . . A 158 SER C . 18725 1 251 . 1 1 38 38 SER CA C 13 59.035 0.006 . 1 . . . A 158 SER CA . 18725 1 252 . 1 1 38 38 SER CB C 13 63.401 0.004 . 1 . . . A 158 SER CB . 18725 1 253 . 1 1 38 38 SER N N 15 115.276 0.005 . 1 . . . A 158 SER N . 18725 1 254 . 1 1 39 39 LEU H H 1 8.412 0.004 . 1 . . . A 159 LEU H . 18725 1 255 . 1 1 39 39 LEU HA H 1 4.164 0.079 . 1 . . . A 159 LEU HA . 18725 1 256 . 1 1 39 39 LEU HB3 H 1 1.469 0.010 . 1 . . . A 159 LEU HB3 . 18725 1 257 . 1 1 39 39 LEU HD11 H 1 0.927 0.143 . 1 . . . A 159 LEU HD11 . 18725 1 258 . 1 1 39 39 LEU HD12 H 1 0.927 0.062 . 1 . . . A 159 LEU HD12 . 18725 1 259 . 1 1 39 39 LEU HD13 H 1 0.927 0.022 . 1 . . . A 159 LEU HD13 . 18725 1 260 . 1 1 39 39 LEU HD21 H 1 0.927 0.047 . 1 . . . A 159 LEU HD21 . 18725 1 261 . 1 1 39 39 LEU HD22 H 1 0.927 0.005 . 1 . . . A 159 LEU HD22 . 18725 1 262 . 1 1 39 39 LEU HD23 H 1 0.927 0.009 . 1 . . . A 159 LEU HD23 . 18725 1 263 . 1 1 39 39 LEU C C 13 175.170 0.007 . 1 . . . A 159 LEU C . 18725 1 264 . 1 1 39 39 LEU CA C 13 57.937 0.008 . 1 . . . A 159 LEU CA . 18725 1 265 . 1 1 39 39 LEU CB C 13 41.640 0.007 . 1 . . . A 159 LEU CB . 18725 1 266 . 1 1 39 39 LEU CD1 C 13 23.676 0.040 . 1 . . . A 159 LEU CD1 . 18725 1 267 . 1 1 39 39 LEU CD2 C 13 23.676 0.015 . 1 . . . A 159 LEU CD2 . 18725 1 268 . 1 1 39 39 LEU N N 15 126.925 0.078 . 1 . . . A 159 LEU N . 18725 1 269 . 1 1 40 40 LEU H H 1 7.981 0.121 . 1 . . . A 160 LEU H . 18725 1 270 . 1 1 40 40 LEU HA H 1 3.833 0.093 . 1 . . . A 160 LEU HA . 18725 1 271 . 1 1 40 40 LEU HB2 H 1 1.636 0.009 . 1 . . . A 160 LEU HB2 . 18725 1 272 . 1 1 40 40 LEU HB3 H 1 1.638 0.010 . 1 . . . A 160 LEU HB3 . 18725 1 273 . 1 1 40 40 LEU HG H 1 1.372 0.012 . 1 . . . A 160 LEU HG . 18725 1 274 . 1 1 40 40 LEU HD11 H 1 0.812 0.010 . 1 . . . A 160 LEU HD11 . 18725 1 275 . 1 1 40 40 LEU HD12 H 1 0.812 0.003 . 1 . . . A 160 LEU HD12 . 18725 1 276 . 1 1 40 40 LEU HD13 H 1 0.812 0.006 . 1 . . . A 160 LEU HD13 . 18725 1 277 . 1 1 40 40 LEU HD21 H 1 0.812 0.011 . 1 . . . A 160 LEU HD21 . 18725 1 278 . 1 1 40 40 LEU HD22 H 1 0.812 0.014 . 1 . . . A 160 LEU HD22 . 18725 1 279 . 1 1 40 40 LEU HD23 H 1 0.812 0.077 . 1 . . . A 160 LEU HD23 . 18725 1 280 . 1 1 40 40 LEU C C 13 175.413 0.063 . 1 . . . A 160 LEU C . 18725 1 281 . 1 1 40 40 LEU CA C 13 58.492 0.012 . 1 . . . A 160 LEU CA . 18725 1 282 . 1 1 40 40 LEU CB C 13 41.447 0.048 . 1 . . . A 160 LEU CB . 18725 1 283 . 1 1 40 40 LEU CG C 13 27.028 0.128 . 1 . . . A 160 LEU CG . 18725 1 284 . 1 1 40 40 LEU CD1 C 13 23.465 0.112 . 1 . . . A 160 LEU CD1 . 18725 1 285 . 1 1 40 40 LEU CD2 C 13 23.465 0.006 . 1 . . . A 160 LEU CD2 . 18725 1 286 . 1 1 40 40 LEU N N 15 118.775 0.007 . 1 . . . A 160 LEU N . 18725 1 287 . 1 1 41 41 ARG H H 1 7.712 0.014 . 1 . . . A 161 ARG H . 18725 1 288 . 1 1 41 41 ARG HA H 1 3.909 0.007 . 1 . . . A 161 ARG HA . 18725 1 289 . 1 1 41 41 ARG HB2 H 1 1.823 0.008 . 1 . . . A 161 ARG HB2 . 18725 1 290 . 1 1 41 41 ARG HB3 H 1 1.823 0.014 . 1 . . . A 161 ARG HB3 . 18725 1 291 . 1 1 41 41 ARG HG2 H 1 1.627 0.113 . 1 . . . A 161 ARG HG2 . 18725 1 292 . 1 1 41 41 ARG HG3 H 1 1.627 0.005 . 1 . . . A 161 ARG HG3 . 18725 1 293 . 1 1 41 41 ARG HD2 H 1 3.159 0.000 . 1 . . . A 161 ARG HD2 . 18725 1 294 . 1 1 41 41 ARG HD3 H 1 3.159 0.038 . 1 . . . A 161 ARG HD3 . 18725 1 295 . 1 1 41 41 ARG C C 13 175.815 0.120 . 1 . . . A 161 ARG C . 18725 1 296 . 1 1 41 41 ARG CA C 13 59.036 0.028 . 1 . . . A 161 ARG CA . 18725 1 297 . 1 1 41 41 ARG CB C 13 29.695 0.040 . 1 . . . A 161 ARG CB . 18725 1 298 . 1 1 41 41 ARG CG C 13 27.232 0.034 . 1 . . . A 161 ARG CG . 18725 1 299 . 1 1 41 41 ARG CD C 13 43.286 0.003 . 1 . . . A 161 ARG CD . 18725 1 300 . 1 1 41 41 ARG N N 15 117.104 0.009 . 1 . . . A 161 ARG N . 18725 1 301 . 1 1 42 42 THR H H 1 7.891 0.006 . 1 . . . A 162 THR H . 18725 1 302 . 1 1 42 42 THR HA H 1 3.820 0.004 . 1 . . . A 162 THR HA . 18725 1 303 . 1 1 42 42 THR HB H 1 4.396 0.010 . 1 . . . A 162 THR HB . 18725 1 304 . 1 1 42 42 THR HG21 H 1 1.219 0.008 . 1 . . . A 162 THR HG21 . 18725 1 305 . 1 1 42 42 THR HG22 H 1 1.219 0.013 . 1 . . . A 162 THR HG22 . 18725 1 306 . 1 1 42 42 THR HG23 H 1 1.219 0.118 . 1 . . . A 162 THR HG23 . 18725 1 307 . 1 1 42 42 THR C C 13 173.611 0.004 . 1 . . . A 162 THR C . 18725 1 308 . 1 1 42 42 THR CA C 13 66.867 0.177 . 1 . . . A 162 THR CA . 18725 1 309 . 1 1 42 42 THR CB C 13 68.815 0.038 . 1 . . . A 162 THR CB . 18725 1 310 . 1 1 42 42 THR CG2 C 13 21.283 0.073 . 1 . . . A 162 THR CG2 . 18725 1 311 . 1 1 42 42 THR N N 15 115.756 0.117 . 1 . . . A 162 THR N . 18725 1 312 . 1 1 43 43 VAL H H 1 8.151 0.005 . 1 . . . A 163 VAL H . 18725 1 313 . 1 1 43 43 VAL HA H 1 3.538 0.008 . 1 . . . A 163 VAL HA . 18725 1 314 . 1 1 43 43 VAL HB H 1 2.051 0.009 . 1 . . . A 163 VAL HB . 18725 1 315 . 1 1 43 43 VAL HG11 H 1 1.014 0.006 . 1 . . . A 163 VAL HG11 . 18725 1 316 . 1 1 43 43 VAL HG12 H 1 1.014 0.010 . 1 . . . A 163 VAL HG12 . 18725 1 317 . 1 1 43 43 VAL HG13 H 1 1.014 0.005 . 1 . . . A 163 VAL HG13 . 18725 1 318 . 1 1 43 43 VAL HG21 H 1 0.926 0.013 . 1 . . . A 163 VAL HG21 . 18725 1 319 . 1 1 43 43 VAL HG22 H 1 0.926 0.002 . 1 . . . A 163 VAL HG22 . 18725 1 320 . 1 1 43 43 VAL HG23 H 1 0.926 0.018 . 1 . . . A 163 VAL HG23 . 18725 1 321 . 1 1 43 43 VAL C C 13 174.644 0.004 . 1 . . . A 163 VAL C . 18725 1 322 . 1 1 43 43 VAL CA C 13 65.928 0.009 . 1 . . . A 163 VAL CA . 18725 1 323 . 1 1 43 43 VAL CB C 13 31.644 0.008 . 1 . . . A 163 VAL CB . 18725 1 324 . 1 1 43 43 VAL CG1 C 13 23.335 0.202 . 1 . . . A 163 VAL CG1 . 18725 1 325 . 1 1 43 43 VAL CG2 C 13 22.621 0.008 . 1 . . . A 163 VAL CG2 . 18725 1 326 . 1 1 43 43 VAL N N 15 118.971 0.044 . 1 . . . A 163 VAL N . 18725 1 327 . 1 1 44 44 GLN H H 1 8.198 0.083 . 1 . . . A 164 GLN H . 18725 1 328 . 1 1 44 44 GLN HA H 1 3.791 0.050 . 1 . . . A 164 GLN HA . 18725 1 329 . 1 1 44 44 GLN HB2 H 1 2.146 0.022 . 1 . . . A 164 GLN HB2 . 18725 1 330 . 1 1 44 44 GLN HB3 H 1 1.836 0.010 . 1 . . . A 164 GLN HB3 . 18725 1 331 . 1 1 44 44 GLN HG2 H 1 2.436 0.006 . 1 . . . A 164 GLN HG2 . 18725 1 332 . 1 1 44 44 GLN HG3 H 1 2.180 0.011 . 1 . . . A 164 GLN HG3 . 18725 1 333 . 1 1 44 44 GLN HE21 H 1 7.242 0.003 . 1 . . . A 164 GLN HE21 . 18725 1 334 . 1 1 44 44 GLN HE22 H 1 6.724 0.003 . 1 . . . A 164 GLN HE22 . 18725 1 335 . 1 1 44 44 GLN C C 13 174.600 0.043 . 1 . . . A 164 GLN C . 18725 1 336 . 1 1 44 44 GLN CA C 13 58.194 0.009 . 1 . . . A 164 GLN CA . 18725 1 337 . 1 1 44 44 GLN CB C 13 28.641 0.041 . 1 . . . A 164 GLN CB . 18725 1 338 . 1 1 44 44 GLN CG C 13 34.284 0.007 . 1 . . . A 164 GLN CG . 18725 1 339 . 1 1 44 44 GLN N N 15 116.280 0.007 . 1 . . . A 164 GLN N . 18725 1 340 . 1 1 44 44 GLN NE2 N 15 110.677 0.006 . 1 . . . A 164 GLN NE2 . 18725 1 341 . 1 1 45 45 GLN H H 1 7.181 0.253 . 1 . . . A 165 GLN H . 18725 1 342 . 1 1 45 45 GLN HA H 1 4.075 0.009 . 1 . . . A 165 GLN HA . 18725 1 343 . 1 1 45 45 GLN HB2 H 1 2.191 0.008 . 1 . . . A 165 GLN HB2 . 18725 1 344 . 1 1 45 45 GLN HB3 H 1 2.040 0.077 . 1 . . . A 165 GLN HB3 . 18725 1 345 . 1 1 45 45 GLN HG2 H 1 2.548 0.034 . 1 . . . A 165 GLN HG2 . 18725 1 346 . 1 1 45 45 GLN HG3 H 1 2.392 0.047 . 1 . . . A 165 GLN HG3 . 18725 1 347 . 1 1 45 45 GLN C C 13 173.327 0.057 . 1 . . . A 165 GLN C . 18725 1 348 . 1 1 45 45 GLN CA C 13 55.807 0.053 . 1 . . . A 165 GLN CA . 18725 1 349 . 1 1 45 45 GLN CB C 13 29.171 0.008 . 1 . . . A 165 GLN CB . 18725 1 350 . 1 1 45 45 GLN CG C 13 34.390 0.007 . 1 . . . A 165 GLN CG . 18725 1 351 . 1 1 45 45 GLN N N 15 114.153 0.003 . 1 . . . A 165 GLN N . 18725 1 352 . 1 1 46 46 ILE H H 1 7.295 0.007 . 1 . . . A 166 ILE H . 18725 1 353 . 1 1 46 46 ILE HA H 1 3.475 0.066 . 1 . . . A 166 ILE HA . 18725 1 354 . 1 1 46 46 ILE HB H 1 1.619 0.012 . 1 . . . A 166 ILE HB . 18725 1 355 . 1 1 46 46 ILE HG12 H 1 1.512 0.006 . 1 . . . A 166 ILE HG12 . 18725 1 356 . 1 1 46 46 ILE HG13 H 1 -0.447 0.012 . 1 . . . A 166 ILE HG13 . 18725 1 357 . 1 1 46 46 ILE HG21 H 1 0.536 0.006 . 1 . . . A 166 ILE HG21 . 18725 1 358 . 1 1 46 46 ILE HG22 H 1 0.536 0.007 . 1 . . . A 166 ILE HG22 . 18725 1 359 . 1 1 46 46 ILE HG23 H 1 0.536 0.081 . 1 . . . A 166 ILE HG23 . 18725 1 360 . 1 1 46 46 ILE HD11 H 1 0.523 0.057 . 1 . . . A 166 ILE HD11 . 18725 1 361 . 1 1 46 46 ILE HD12 H 1 0.523 0.094 . 1 . . . A 166 ILE HD12 . 18725 1 362 . 1 1 46 46 ILE HD13 H 1 0.523 0.048 . 1 . . . A 166 ILE HD13 . 18725 1 363 . 1 1 46 46 ILE C C 13 171.731 0.008 . 1 . . . A 166 ILE C . 18725 1 364 . 1 1 46 46 ILE CA C 13 60.504 0.008 . 1 . . . A 166 ILE CA . 18725 1 365 . 1 1 46 46 ILE CB C 13 37.676 0.009 . 1 . . . A 166 ILE CB . 18725 1 366 . 1 1 46 46 ILE CG1 C 13 26.829 0.003 . 1 . . . A 166 ILE CG1 . 18725 1 367 . 1 1 46 46 ILE CG2 C 13 15.954 0.010 . 1 . . . A 166 ILE CG2 . 18725 1 368 . 1 1 46 46 ILE CD1 C 13 14.859 0.031 . 1 . . . A 166 ILE CD1 . 18725 1 369 . 1 1 46 46 ILE N N 15 125.188 0.000 . 1 . . . A 166 ILE N . 18725 1 370 . 1 1 47 47 PRO HA H 1 4.065 0.014 . 1 . . . A 167 PRO HA . 18725 1 371 . 1 1 47 47 PRO HB2 H 1 2.195 0.126 . 1 . . . A 167 PRO HB2 . 18725 1 372 . 1 1 47 47 PRO HB3 H 1 1.833 0.086 . 1 . . . A 167 PRO HB3 . 18725 1 373 . 1 1 47 47 PRO HG2 H 1 2.084 0.095 . 1 . . . A 167 PRO HG2 . 18725 1 374 . 1 1 47 47 PRO HG3 H 1 1.898 0.034 . 1 . . . A 167 PRO HG3 . 18725 1 375 . 1 1 47 47 PRO HD2 H 1 3.860 0.071 . 1 . . . A 167 PRO HD2 . 18725 1 376 . 1 1 47 47 PRO HD3 H 1 3.328 0.007 . 1 . . . A 167 PRO HD3 . 18725 1 377 . 1 1 47 47 PRO C C 13 172.846 0.005 . 1 . . . A 167 PRO C . 18725 1 378 . 1 1 47 47 PRO CA C 13 64.504 0.012 . 1 . . . A 167 PRO CA . 18725 1 379 . 1 1 47 47 PRO CB C 13 31.753 0.007 . 1 . . . A 167 PRO CB . 18725 1 380 . 1 1 47 47 PRO CG C 13 27.810 0.008 . 1 . . . A 167 PRO CG . 18725 1 381 . 1 1 47 47 PRO CD C 13 51.372 0.005 . 1 . . . A 167 PRO CD . 18725 1 382 . 1 1 48 48 GLY H H 1 8.167 0.064 . 1 . . . A 168 GLY H . 18725 1 383 . 1 1 48 48 GLY HA2 H 1 4.199 0.008 . 1 . . . A 168 GLY HA2 . 18725 1 384 . 1 1 48 48 GLY HA3 H 1 3.497 0.008 . 1 . . . A 168 GLY HA3 . 18725 1 385 . 1 1 48 48 GLY C C 13 171.852 0.000 . 1 . . . A 168 GLY C . 18725 1 386 . 1 1 48 48 GLY CA C 13 45.089 0.053 . 1 . . . A 168 GLY CA . 18725 1 387 . 1 1 48 48 GLY N N 15 108.505 0.028 . 1 . . . A 168 GLY N . 18725 1 388 . 1 1 49 49 VAL H H 1 7.752 0.004 . 1 . . . A 169 VAL H . 18725 1 389 . 1 1 49 49 VAL HA H 1 3.813 0.003 . 1 . . . A 169 VAL HA . 18725 1 390 . 1 1 49 49 VAL HB H 1 2.293 0.012 . 1 . . . A 169 VAL HB . 18725 1 391 . 1 1 49 49 VAL HG11 H 1 0.831 0.039 . 1 . . . A 169 VAL HG11 . 18725 1 392 . 1 1 49 49 VAL HG12 H 1 0.831 0.009 . 1 . . . A 169 VAL HG12 . 18725 1 393 . 1 1 49 49 VAL HG13 H 1 0.831 0.081 . 1 . . . A 169 VAL HG13 . 18725 1 394 . 1 1 49 49 VAL HG21 H 1 0.586 0.082 . 1 . . . A 169 VAL HG21 . 18725 1 395 . 1 1 49 49 VAL HG22 H 1 0.586 0.098 . 1 . . . A 169 VAL HG22 . 18725 1 396 . 1 1 49 49 VAL HG23 H 1 0.586 0.085 . 1 . . . A 169 VAL HG23 . 18725 1 397 . 1 1 49 49 VAL C C 13 173.601 0.005 . 1 . . . A 169 VAL C . 18725 1 398 . 1 1 49 49 VAL CA C 13 64.821 0.006 . 1 . . . A 169 VAL CA . 18725 1 399 . 1 1 49 49 VAL CB C 13 30.891 0.009 . 1 . . . A 169 VAL CB . 18725 1 400 . 1 1 49 49 VAL CG1 C 13 22.389 0.013 . 1 . . . A 169 VAL CG1 . 18725 1 401 . 1 1 49 49 VAL CG2 C 13 23.328 0.005 . 1 . . . A 169 VAL CG2 . 18725 1 402 . 1 1 49 49 VAL N N 15 120.690 0.006 . 1 . . . A 169 VAL N . 18725 1 403 . 1 1 50 50 GLY H H 1 7.621 0.004 . 1 . . . A 170 GLY H . 18725 1 404 . 1 1 50 50 GLY HA2 H 1 4.168 0.098 . 1 . . . A 170 GLY HA2 . 18725 1 405 . 1 1 50 50 GLY HA3 H 1 4.085 0.043 . 1 . . . A 170 GLY HA3 . 18725 1 406 . 1 1 50 50 GLY C C 13 171.139 0.111 . 1 . . . A 170 GLY C . 18725 1 407 . 1 1 50 50 GLY CA C 13 45.086 0.028 . 1 . . . A 170 GLY CA . 18725 1 408 . 1 1 50 50 GLY N N 15 106.148 0.008 . 1 . . . A 170 GLY N . 18725 1 409 . 1 1 51 51 LYS H H 1 8.447 0.009 . 1 . . . A 171 LYS H . 18725 1 410 . 1 1 51 51 LYS HA H 1 3.919 0.010 . 1 . . . A 171 LYS HA . 18725 1 411 . 1 1 51 51 LYS HB2 H 1 1.793 0.009 . 1 . . . A 171 LYS HB2 . 18725 1 412 . 1 1 51 51 LYS HB3 H 1 1.793 0.007 . 1 . . . A 171 LYS HB3 . 18725 1 413 . 1 1 51 51 LYS HG2 H 1 1.458 0.003 . 1 . . . A 171 LYS HG2 . 18725 1 414 . 1 1 51 51 LYS HG3 H 1 1.325 0.011 . 1 . . . A 171 LYS HG3 . 18725 1 415 . 1 1 51 51 LYS HD2 H 1 1.640 0.067 . 1 . . . A 171 LYS HD2 . 18725 1 416 . 1 1 51 51 LYS HD3 H 1 1.640 0.008 . 1 . . . A 171 LYS HD3 . 18725 1 417 . 1 1 51 51 LYS HE2 H 1 2.931 0.047 . 1 . . . A 171 LYS HE2 . 18725 1 418 . 1 1 51 51 LYS HE3 H 1 2.931 0.108 . 1 . . . A 171 LYS HE3 . 18725 1 419 . 1 1 51 51 LYS C C 13 175.899 0.116 . 1 . . . A 171 LYS C . 18725 1 420 . 1 1 51 51 LYS CA C 13 59.123 0.077 . 1 . . . A 171 LYS CA . 18725 1 421 . 1 1 51 51 LYS CB C 13 33.035 0.005 . 1 . . . A 171 LYS CB . 18725 1 422 . 1 1 51 51 LYS CG C 13 25.390 0.010 . 1 . . . A 171 LYS CG . 18725 1 423 . 1 1 51 51 LYS CD C 13 29.529 0.011 . 1 . . . A 171 LYS CD . 18725 1 424 . 1 1 51 51 LYS CE C 13 42.071 0.022 . 1 . . . A 171 LYS CE . 18725 1 425 . 1 1 51 51 LYS N N 15 116.745 0.016 . 1 . . . A 171 LYS N . 18725 1 426 . 1 1 52 52 VAL H H 1 8.332 0.039 . 1 . . . A 172 VAL H . 18725 1 427 . 1 1 52 52 VAL HA H 1 3.846 0.012 . 1 . . . A 172 VAL HA . 18725 1 428 . 1 1 52 52 VAL HB H 1 2.100 0.014 . 1 . . . A 172 VAL HB . 18725 1 429 . 1 1 52 52 VAL HG11 H 1 0.995 0.062 . 1 . . . A 172 VAL HG11 . 18725 1 430 . 1 1 52 52 VAL HG12 H 1 0.995 0.070 . 1 . . . A 172 VAL HG12 . 18725 1 431 . 1 1 52 52 VAL HG13 H 1 0.995 0.032 . 1 . . . A 172 VAL HG13 . 18725 1 432 . 1 1 52 52 VAL HG21 H 1 0.925 0.004 . 1 . . . A 172 VAL HG21 . 18725 1 433 . 1 1 52 52 VAL HG22 H 1 0.925 0.012 . 1 . . . A 172 VAL HG22 . 18725 1 434 . 1 1 52 52 VAL HG23 H 1 0.925 0.044 . 1 . . . A 172 VAL HG23 . 18725 1 435 . 1 1 52 52 VAL C C 13 175.282 0.016 . 1 . . . A 172 VAL C . 18725 1 436 . 1 1 52 52 VAL CA C 13 65.146 0.035 . 1 . . . A 172 VAL CA . 18725 1 437 . 1 1 52 52 VAL CB C 13 31.895 0.006 . 1 . . . A 172 VAL CB . 18725 1 438 . 1 1 52 52 VAL CG1 C 13 22.200 0.079 . 1 . . . A 172 VAL CG1 . 18725 1 439 . 1 1 52 52 VAL CG2 C 13 21.182 0.084 . 1 . . . A 172 VAL CG2 . 18725 1 440 . 1 1 52 52 VAL N N 15 118.206 0.060 . 1 . . . A 172 VAL N . 18725 1 441 . 1 1 53 53 LYS H H 1 7.577 0.004 . 1 . . . A 173 LYS H . 18725 1 442 . 1 1 53 53 LYS HA H 1 4.263 0.006 . 1 . . . A 173 LYS HA . 18725 1 443 . 1 1 53 53 LYS HB2 H 1 1.984 0.006 . 1 . . . A 173 LYS HB2 . 18725 1 444 . 1 1 53 53 LYS HB3 H 1 1.666 0.010 . 1 . . . A 173 LYS HB3 . 18725 1 445 . 1 1 53 53 LYS HG2 H 1 1.511 0.009 . 1 . . . A 173 LYS HG2 . 18725 1 446 . 1 1 53 53 LYS HG3 H 1 1.511 0.005 . 1 . . . A 173 LYS HG3 . 18725 1 447 . 1 1 53 53 LYS HD2 H 1 1.843 0.056 . 1 . . . A 173 LYS HD2 . 18725 1 448 . 1 1 53 53 LYS HD3 H 1 1.717 0.011 . 1 . . . A 173 LYS HD3 . 18725 1 449 . 1 1 53 53 LYS HE2 H 1 3.087 0.011 . 1 . . . A 173 LYS HE2 . 18725 1 450 . 1 1 53 53 LYS HE3 H 1 3.087 0.061 . 1 . . . A 173 LYS HE3 . 18725 1 451 . 1 1 53 53 LYS C C 13 174.708 0.094 . 1 . . . A 173 LYS C . 18725 1 452 . 1 1 53 53 LYS CA C 13 57.231 0.053 . 1 . . . A 173 LYS CA . 18725 1 453 . 1 1 53 53 LYS CB C 13 33.157 0.036 . 1 . . . A 173 LYS CB . 18725 1 454 . 1 1 53 53 LYS CG C 13 26.343 0.040 . 1 . . . A 173 LYS CG . 18725 1 455 . 1 1 53 53 LYS CD C 13 29.328 0.005 . 1 . . . A 173 LYS CD . 18725 1 456 . 1 1 53 53 LYS CE C 13 42.460 0.006 . 1 . . . A 173 LYS CE . 18725 1 457 . 1 1 53 53 LYS N N 15 115.136 0.006 . 1 . . . A 173 LYS N . 18725 1 458 . 1 1 54 54 ALA H H 1 7.343 0.009 . 1 . . . A 174 ALA H . 18725 1 459 . 1 1 54 54 ALA HA H 1 3.891 0.011 . 1 . . . A 174 ALA HA . 18725 1 460 . 1 1 54 54 ALA HB1 H 1 1.384 0.012 . 1 . . . A 174 ALA HB1 . 18725 1 461 . 1 1 54 54 ALA HB2 H 1 1.384 0.063 . 1 . . . A 174 ALA HB2 . 18725 1 462 . 1 1 54 54 ALA HB3 H 1 1.384 0.007 . 1 . . . A 174 ALA HB3 . 18725 1 463 . 1 1 54 54 ALA C C 13 172.263 0.006 . 1 . . . A 174 ALA C . 18725 1 464 . 1 1 54 54 ALA CA C 13 57.246 0.000 . 1 . . . A 174 ALA CA . 18725 1 465 . 1 1 54 54 ALA CB C 13 16.818 0.057 . 1 . . . A 174 ALA CB . 18725 1 466 . 1 1 54 54 ALA N N 15 120.521 0.051 . 1 . . . A 174 ALA N . 18725 1 467 . 1 1 55 55 PRO HA H 1 4.139 0.078 . 1 . . . A 175 PRO HA . 18725 1 468 . 1 1 55 55 PRO HB2 H 1 2.275 0.009 . 1 . . . A 175 PRO HB2 . 18725 1 469 . 1 1 55 55 PRO HB3 H 1 1.787 0.006 . 1 . . . A 175 PRO HB3 . 18725 1 470 . 1 1 55 55 PRO HG2 H 1 2.022 0.005 . 1 . . . A 175 PRO HG2 . 18725 1 471 . 1 1 55 55 PRO HG3 H 1 1.932 0.005 . 1 . . . A 175 PRO HG3 . 18725 1 472 . 1 1 55 55 PRO HD2 H 1 3.589 0.052 . 1 . . . A 175 PRO HD2 . 18725 1 473 . 1 1 55 55 PRO HD3 H 1 3.589 0.014 . 1 . . . A 175 PRO HD3 . 18725 1 474 . 1 1 55 55 PRO C C 13 176.337 0.007 . 1 . . . A 175 PRO C . 18725 1 475 . 1 1 55 55 PRO CA C 13 65.832 0.006 . 1 . . . A 175 PRO CA . 18725 1 476 . 1 1 55 55 PRO CB C 13 31.012 0.063 . 1 . . . A 175 PRO CB . 18725 1 477 . 1 1 55 55 PRO CG C 13 27.343 0.104 . 1 . . . A 175 PRO CG . 18725 1 478 . 1 1 55 55 PRO CD C 13 50.653 0.041 . 1 . . . A 175 PRO CD . 18725 1 479 . 1 1 56 56 LEU H H 1 6.713 0.058 . 1 . . . A 176 LEU H . 18725 1 480 . 1 1 56 56 LEU HA H 1 4.033 0.009 . 1 . . . A 176 LEU HA . 18725 1 481 . 1 1 56 56 LEU HB2 H 1 1.811 0.011 . 1 . . . A 176 LEU HB2 . 18725 1 482 . 1 1 56 56 LEU HB3 H 1 1.502 0.005 . 1 . . . A 176 LEU HB3 . 18725 1 483 . 1 1 56 56 LEU HG H 1 1.701 0.005 . 1 . . . A 176 LEU HG . 18725 1 484 . 1 1 56 56 LEU HD11 H 1 0.945 0.008 . 1 . . . A 176 LEU HD11 . 18725 1 485 . 1 1 56 56 LEU HD12 H 1 0.945 0.001 . 1 . . . A 176 LEU HD12 . 18725 1 486 . 1 1 56 56 LEU HD13 H 1 0.945 0.005 . 1 . . . A 176 LEU HD13 . 18725 1 487 . 1 1 56 56 LEU HD21 H 1 0.872 0.002 . 1 . . . A 176 LEU HD21 . 18725 1 488 . 1 1 56 56 LEU HD22 H 1 0.872 0.050 . 1 . . . A 176 LEU HD22 . 18725 1 489 . 1 1 56 56 LEU HD23 H 1 0.872 0.109 . 1 . . . A 176 LEU HD23 . 18725 1 490 . 1 1 56 56 LEU C C 13 177.160 0.007 . 1 . . . A 176 LEU C . 18725 1 491 . 1 1 56 56 LEU CA C 13 57.268 0.013 . 1 . . . A 176 LEU CA . 18725 1 492 . 1 1 56 56 LEU CB C 13 41.489 0.010 . 1 . . . A 176 LEU CB . 18725 1 493 . 1 1 56 56 LEU CG C 13 26.995 0.007 . 1 . . . A 176 LEU CG . 18725 1 494 . 1 1 56 56 LEU CD1 C 13 25.006 0.141 . 1 . . . A 176 LEU CD1 . 18725 1 495 . 1 1 56 56 LEU N N 15 116.309 0.010 . 1 . . . A 176 LEU N . 18725 1 496 . 1 1 57 57 LEU H H 1 7.660 0.062 . 1 . . . A 177 LEU H . 18725 1 497 . 1 1 57 57 LEU HA H 1 4.062 0.033 . 1 . . . A 177 LEU HA . 18725 1 498 . 1 1 57 57 LEU HB2 H 1 1.846 0.036 . 1 . . . A 177 LEU HB2 . 18725 1 499 . 1 1 57 57 LEU HB3 H 1 1.633 0.078 . 1 . . . A 177 LEU HB3 . 18725 1 500 . 1 1 57 57 LEU HG H 1 1.654 0.040 . 1 . . . A 177 LEU HG . 18725 1 501 . 1 1 57 57 LEU HD11 H 1 0.850 0.005 . 1 . . . A 177 LEU HD11 . 18725 1 502 . 1 1 57 57 LEU HD12 H 1 0.850 0.005 . 1 . . . A 177 LEU HD12 . 18725 1 503 . 1 1 57 57 LEU HD13 H 1 0.850 0.005 . 1 . . . A 177 LEU HD13 . 18725 1 504 . 1 1 57 57 LEU HD21 H 1 0.850 0.008 . 1 . . . A 177 LEU HD21 . 18725 1 505 . 1 1 57 57 LEU HD22 H 1 0.850 0.007 . 1 . . . A 177 LEU HD22 . 18725 1 506 . 1 1 57 57 LEU HD23 H 1 0.850 0.003 . 1 . . . A 177 LEU HD23 . 18725 1 507 . 1 1 57 57 LEU C C 13 175.631 0.009 . 1 . . . A 177 LEU C . 18725 1 508 . 1 1 57 57 LEU CA C 13 57.865 0.074 . 1 . . . A 177 LEU CA . 18725 1 509 . 1 1 57 57 LEU CB C 13 42.542 0.004 . 1 . . . A 177 LEU CB . 18725 1 510 . 1 1 57 57 LEU CG C 13 26.854 0.082 . 1 . . . A 177 LEU CG . 18725 1 511 . 1 1 57 57 LEU CD1 C 13 26.288 0.096 . 1 . . . A 177 LEU CD1 . 18725 1 512 . 1 1 57 57 LEU CD2 C 13 26.288 0.055 . 1 . . . A 177 LEU CD2 . 18725 1 513 . 1 1 57 57 LEU N N 15 118.755 0.005 . 1 . . . A 177 LEU N . 18725 1 514 . 1 1 58 58 LEU H H 1 7.764 0.007 . 1 . . . A 178 LEU H . 18725 1 515 . 1 1 58 58 LEU HA H 1 4.134 0.008 . 1 . . . A 178 LEU HA . 18725 1 516 . 1 1 58 58 LEU HB2 H 1 1.579 0.005 . 1 . . . A 178 LEU HB2 . 18725 1 517 . 1 1 58 58 LEU HB3 H 1 1.579 0.001 . 1 . . . A 178 LEU HB3 . 18725 1 518 . 1 1 58 58 LEU HD11 H 1 0.863 0.008 . 1 . . . A 178 LEU HD11 . 18725 1 519 . 1 1 58 58 LEU HD12 H 1 0.863 0.042 . 1 . . . A 178 LEU HD12 . 18725 1 520 . 1 1 58 58 LEU HD13 H 1 0.863 0.002 . 1 . . . A 178 LEU HD13 . 18725 1 521 . 1 1 58 58 LEU HD21 H 1 0.863 0.006 . 1 . . . A 178 LEU HD21 . 18725 1 522 . 1 1 58 58 LEU HD22 H 1 0.863 0.048 . 1 . . . A 178 LEU HD22 . 18725 1 523 . 1 1 58 58 LEU HD23 H 1 0.863 0.058 . 1 . . . A 178 LEU HD23 . 18725 1 524 . 1 1 58 58 LEU C C 13 175.473 0.066 . 1 . . . A 178 LEU C . 18725 1 525 . 1 1 58 58 LEU CA C 13 56.561 0.062 . 1 . . . A 178 LEU CA . 18725 1 526 . 1 1 58 58 LEU CB C 13 41.530 0.009 . 1 . . . A 178 LEU CB . 18725 1 527 . 1 1 58 58 LEU CD1 C 13 23.616 0.009 . 1 . . . A 178 LEU CD1 . 18725 1 528 . 1 1 58 58 LEU CD2 C 13 23.616 0.007 . 1 . . . A 178 LEU CD2 . 18725 1 529 . 1 1 58 58 LEU N N 15 117.692 0.007 . 1 . . . A 178 LEU N . 18725 1 530 . 1 1 59 59 GLN H H 1 7.400 0.003 . 1 . . . A 179 GLN H . 18725 1 531 . 1 1 59 59 GLN HA H 1 3.927 0.008 . 1 . . . A 179 GLN HA . 18725 1 532 . 1 1 59 59 GLN HB2 H 1 2.076 0.013 . 1 . . . A 179 GLN HB2 . 18725 1 533 . 1 1 59 59 GLN HB3 H 1 2.024 0.012 . 1 . . . A 179 GLN HB3 . 18725 1 534 . 1 1 59 59 GLN HG2 H 1 2.461 0.098 . 1 . . . A 179 GLN HG2 . 18725 1 535 . 1 1 59 59 GLN HG3 H 1 2.317 0.052 . 1 . . . A 179 GLN HG3 . 18725 1 536 . 1 1 59 59 GLN C C 13 174.539 0.004 . 1 . . . A 179 GLN C . 18725 1 537 . 1 1 59 59 GLN CA C 13 58.155 0.073 . 1 . . . A 179 GLN CA . 18725 1 538 . 1 1 59 59 GLN CB C 13 28.664 0.049 . 1 . . . A 179 GLN CB . 18725 1 539 . 1 1 59 59 GLN CG C 13 33.996 0.072 . 1 . . . A 179 GLN CG . 18725 1 540 . 1 1 59 59 GLN N N 15 116.247 0.043 . 1 . . . A 179 GLN N . 18725 1 541 . 1 1 60 60 LYS H H 1 6.811 0.039 . 1 . . . A 180 LYS H . 18725 1 542 . 1 1 60 60 LYS HA H 1 3.929 0.004 . 1 . . . A 180 LYS HA . 18725 1 543 . 1 1 60 60 LYS HB2 H 1 1.390 0.007 . 1 . . . A 180 LYS HB2 . 18725 1 544 . 1 1 60 60 LYS HB3 H 1 1.026 0.009 . 1 . . . A 180 LYS HB3 . 18725 1 545 . 1 1 60 60 LYS HG2 H 1 0.851 0.009 . 1 . . . A 180 LYS HG2 . 18725 1 546 . 1 1 60 60 LYS HG3 H 1 0.851 0.014 . 1 . . . A 180 LYS HG3 . 18725 1 547 . 1 1 60 60 LYS HD2 H 1 1.379 0.004 . 1 . . . A 180 LYS HD2 . 18725 1 548 . 1 1 60 60 LYS HD3 H 1 1.379 0.008 . 1 . . . A 180 LYS HD3 . 18725 1 549 . 1 1 60 60 LYS HE2 H 1 2.802 0.041 . 1 . . . A 180 LYS HE2 . 18725 1 550 . 1 1 60 60 LYS HE3 H 1 2.758 0.004 . 1 . . . A 180 LYS HE3 . 18725 1 551 . 1 1 60 60 LYS C C 13 172.875 0.054 . 1 . . . A 180 LYS C . 18725 1 552 . 1 1 60 60 LYS CA C 13 56.402 0.030 . 1 . . . A 180 LYS CA . 18725 1 553 . 1 1 60 60 LYS CB C 13 33.473 0.004 . 1 . . . A 180 LYS CB . 18725 1 554 . 1 1 60 60 LYS CG C 13 24.657 0.005 . 1 . . . A 180 LYS CG . 18725 1 555 . 1 1 60 60 LYS CD C 13 28.276 0.003 . 1 . . . A 180 LYS CD . 18725 1 556 . 1 1 60 60 LYS CE C 13 42.022 0.002 . 1 . . . A 180 LYS CE . 18725 1 557 . 1 1 60 60 LYS N N 15 116.455 0.155 . 1 . . . A 180 LYS N . 18725 1 558 . 1 1 61 61 PHE H H 1 8.188 0.011 . 1 . . . A 181 PHE H . 18725 1 559 . 1 1 61 61 PHE HA H 1 4.876 0.061 . 1 . . . A 181 PHE HA . 18725 1 560 . 1 1 61 61 PHE HB2 H 1 3.103 0.066 . 1 . . . A 181 PHE HB2 . 18725 1 561 . 1 1 61 61 PHE HB3 H 1 2.443 0.005 . 1 . . . A 181 PHE HB3 . 18725 1 562 . 1 1 61 61 PHE HD1 H 1 7.173 0.012 . 1 . . . A 181 PHE HD1 . 18725 1 563 . 1 1 61 61 PHE HD2 H 1 7.173 0.005 . 1 . . . A 181 PHE HD2 . 18725 1 564 . 1 1 61 61 PHE HE1 H 1 7.297 0.004 . 1 . . . A 181 PHE HE1 . 18725 1 565 . 1 1 61 61 PHE HE2 H 1 7.297 0.010 . 1 . . . A 181 PHE HE2 . 18725 1 566 . 1 1 61 61 PHE C C 13 169.426 0.002 . 1 . . . A 181 PHE C . 18725 1 567 . 1 1 61 61 PHE CA C 13 53.706 0.083 . 1 . . . A 181 PHE CA . 18725 1 568 . 1 1 61 61 PHE CB C 13 39.639 0.029 . 1 . . . A 181 PHE CB . 18725 1 569 . 1 1 61 61 PHE CD1 C 13 130.901 0.006 . 1 . . . A 181 PHE CD1 . 18725 1 570 . 1 1 61 61 PHE CD2 C 13 130.901 0.048 . 1 . . . A 181 PHE CD2 . 18725 1 571 . 1 1 61 61 PHE N N 15 117.211 0.038 . 1 . . . A 181 PHE N . 18725 1 572 . 1 1 62 62 PRO HA H 1 4.725 0.005 . 1 . . . A 182 PRO HA . 18725 1 573 . 1 1 62 62 PRO HB2 H 1 2.254 0.006 . 1 . . . A 182 PRO HB2 . 18725 1 574 . 1 1 62 62 PRO HB3 H 1 2.131 0.005 . 1 . . . A 182 PRO HB3 . 18725 1 575 . 1 1 62 62 PRO HG2 H 1 1.839 0.101 . 1 . . . A 182 PRO HG2 . 18725 1 576 . 1 1 62 62 PRO HG3 H 1 1.839 0.006 . 1 . . . A 182 PRO HG3 . 18725 1 577 . 1 1 62 62 PRO HD2 H 1 3.459 0.037 . 1 . . . A 182 PRO HD2 . 18725 1 578 . 1 1 62 62 PRO HD3 H 1 3.200 0.087 . 1 . . . A 182 PRO HD3 . 18725 1 579 . 1 1 62 62 PRO C C 13 173.784 0.005 . 1 . . . A 182 PRO C . 18725 1 580 . 1 1 62 62 PRO CA C 13 64.786 0.007 . 1 . . . A 182 PRO CA . 18725 1 581 . 1 1 62 62 PRO CB C 13 31.535 0.004 . 1 . . . A 182 PRO CB . 18725 1 582 . 1 1 62 62 PRO CG C 13 26.859 0.004 . 1 . . . A 182 PRO CG . 18725 1 583 . 1 1 62 62 PRO CD C 13 50.213 0.040 . 1 . . . A 182 PRO CD . 18725 1 584 . 1 1 63 63 SER H H 1 7.600 0.011 . 1 . . . A 183 SER H . 18725 1 585 . 1 1 63 63 SER HA H 1 4.713 0.132 . 1 . . . A 183 SER HA . 18725 1 586 . 1 1 63 63 SER HB2 H 1 4.209 0.072 . 1 . . . A 183 SER HB2 . 18725 1 587 . 1 1 63 63 SER HB3 H 1 3.962 0.058 . 1 . . . A 183 SER HB3 . 18725 1 588 . 1 1 63 63 SER C C 13 171.493 0.033 . 1 . . . A 183 SER C . 18725 1 589 . 1 1 63 63 SER CA C 13 56.596 0.051 . 1 . . . A 183 SER CA . 18725 1 590 . 1 1 63 63 SER CB C 13 66.911 0.005 . 1 . . . A 183 SER CB . 18725 1 591 . 1 1 63 63 SER N N 15 111.938 0.011 . 1 . . . A 183 SER N . 18725 1 592 . 1 1 64 64 ILE H H 1 9.208 0.006 . 1 . . . A 184 ILE H . 18725 1 593 . 1 1 64 64 ILE HA H 1 3.721 0.008 . 1 . . . A 184 ILE HA . 18725 1 594 . 1 1 64 64 ILE HB H 1 1.902 0.008 . 1 . . . A 184 ILE HB . 18725 1 595 . 1 1 64 64 ILE HG12 H 1 1.563 0.007 . 1 . . . A 184 ILE HG12 . 18725 1 596 . 1 1 64 64 ILE HG13 H 1 1.381 0.005 . 1 . . . A 184 ILE HG13 . 18725 1 597 . 1 1 64 64 ILE HG21 H 1 0.943 0.052 . 1 . . . A 184 ILE HG21 . 18725 1 598 . 1 1 64 64 ILE HG22 H 1 0.943 0.006 . 1 . . . A 184 ILE HG22 . 18725 1 599 . 1 1 64 64 ILE HG23 H 1 0.943 0.055 . 1 . . . A 184 ILE HG23 . 18725 1 600 . 1 1 64 64 ILE HD11 H 1 0.927 0.005 . 1 . . . A 184 ILE HD11 . 18725 1 601 . 1 1 64 64 ILE HD12 H 1 0.927 0.006 . 1 . . . A 184 ILE HD12 . 18725 1 602 . 1 1 64 64 ILE HD13 H 1 0.927 0.007 . 1 . . . A 184 ILE HD13 . 18725 1 603 . 1 1 64 64 ILE C C 13 175.198 0.220 . 1 . . . A 184 ILE C . 18725 1 604 . 1 1 64 64 ILE CA C 13 63.370 0.005 . 1 . . . A 184 ILE CA . 18725 1 605 . 1 1 64 64 ILE CB C 13 37.080 0.009 . 1 . . . A 184 ILE CB . 18725 1 606 . 1 1 64 64 ILE CG1 C 13 29.029 0.109 . 1 . . . A 184 ILE CG1 . 18725 1 607 . 1 1 64 64 ILE CG2 C 13 17.595 0.070 . 1 . . . A 184 ILE CG2 . 18725 1 608 . 1 1 64 64 ILE CD1 C 13 12.391 0.011 . 1 . . . A 184 ILE CD1 . 18725 1 609 . 1 1 64 64 ILE N N 15 122.582 0.004 . 1 . . . A 184 ILE N . 18725 1 610 . 1 1 65 65 GLN H H 1 8.658 0.008 . 1 . . . A 185 GLN H . 18725 1 611 . 1 1 65 65 GLN HA H 1 3.828 0.005 . 1 . . . A 185 GLN HA . 18725 1 612 . 1 1 65 65 GLN HB2 H 1 2.034 0.007 . 1 . . . A 185 GLN HB2 . 18725 1 613 . 1 1 65 65 GLN HB3 H 1 1.913 0.041 . 1 . . . A 185 GLN HB3 . 18725 1 614 . 1 1 65 65 GLN HG2 H 1 2.354 0.000 . 1 . . . A 185 GLN HG2 . 18725 1 615 . 1 1 65 65 GLN HG3 H 1 2.309 0.003 . 1 . . . A 185 GLN HG3 . 18725 1 616 . 1 1 65 65 GLN C C 13 175.550 0.010 . 1 . . . A 185 GLN C . 18725 1 617 . 1 1 65 65 GLN CA C 13 59.681 0.093 . 1 . . . A 185 GLN CA . 18725 1 618 . 1 1 65 65 GLN CB C 13 27.655 0.085 . 1 . . . A 185 GLN CB . 18725 1 619 . 1 1 65 65 GLN CG C 13 33.778 0.105 . 1 . . . A 185 GLN CG . 18725 1 620 . 1 1 65 65 GLN N N 15 121.937 0.100 . 1 . . . A 185 GLN N . 18725 1 621 . 1 1 66 66 GLN H H 1 7.695 0.083 . 1 . . . A 186 GLN H . 18725 1 622 . 1 1 66 66 GLN HA H 1 4.022 0.006 . 1 . . . A 186 GLN HA . 18725 1 623 . 1 1 66 66 GLN HB2 H 1 2.283 0.008 . 1 . . . A 186 GLN HB2 . 18725 1 624 . 1 1 66 66 GLN HB3 H 1 1.967 0.010 . 1 . . . A 186 GLN HB3 . 18725 1 625 . 1 1 66 66 GLN HG2 H 1 2.506 0.008 . 1 . . . A 186 GLN HG2 . 18725 1 626 . 1 1 66 66 GLN HG3 H 1 2.278 0.009 . 1 . . . A 186 GLN HG3 . 18725 1 627 . 1 1 66 66 GLN HE21 H 1 7.740 0.009 . 1 . . . A 186 GLN HE21 . 18725 1 628 . 1 1 66 66 GLN HE22 H 1 7.069 0.006 . 1 . . . A 186 GLN HE22 . 18725 1 629 . 1 1 66 66 GLN C C 13 176.013 0.039 . 1 . . . A 186 GLN C . 18725 1 630 . 1 1 66 66 GLN CA C 13 58.967 0.004 . 1 . . . A 186 GLN CA . 18725 1 631 . 1 1 66 66 GLN CB C 13 29.740 0.080 . 1 . . . A 186 GLN CB . 18725 1 632 . 1 1 66 66 GLN CG C 13 35.638 0.147 . 1 . . . A 186 GLN CG . 18725 1 633 . 1 1 66 66 GLN N N 15 116.878 0.096 . 1 . . . A 186 GLN N . 18725 1 634 . 1 1 66 66 GLN NE2 N 15 113.148 0.008 . 1 . . . A 186 GLN NE2 . 18725 1 635 . 1 1 67 67 LEU H H 1 8.034 0.007 . 1 . . . A 187 LEU H . 18725 1 636 . 1 1 67 67 LEU HA H 1 3.496 0.009 . 1 . . . A 187 LEU HA . 18725 1 637 . 1 1 67 67 LEU HB2 H 1 1.461 0.008 . 1 . . . A 187 LEU HB2 . 18725 1 638 . 1 1 67 67 LEU HB3 H 1 1.261 0.048 . 1 . . . A 187 LEU HB3 . 18725 1 639 . 1 1 67 67 LEU HG H 1 1.533 0.009 . 1 . . . A 187 LEU HG . 18725 1 640 . 1 1 67 67 LEU HD11 H 1 0.772 0.002 . 1 . . . A 187 LEU HD11 . 18725 1 641 . 1 1 67 67 LEU HD12 H 1 0.772 0.010 . 1 . . . A 187 LEU HD12 . 18725 1 642 . 1 1 67 67 LEU HD13 H 1 0.772 0.107 . 1 . . . A 187 LEU HD13 . 18725 1 643 . 1 1 67 67 LEU HD21 H 1 0.666 0.099 . 1 . . . A 187 LEU HD21 . 18725 1 644 . 1 1 67 67 LEU HD22 H 1 0.666 0.095 . 1 . . . A 187 LEU HD22 . 18725 1 645 . 1 1 67 67 LEU HD23 H 1 0.666 0.003 . 1 . . . A 187 LEU HD23 . 18725 1 646 . 1 1 67 67 LEU C C 13 174.815 0.012 . 1 . . . A 187 LEU C . 18725 1 647 . 1 1 67 67 LEU CA C 13 57.975 0.011 . 1 . . . A 187 LEU CA . 18725 1 648 . 1 1 67 67 LEU CB C 13 41.924 0.005 . 1 . . . A 187 LEU CB . 18725 1 649 . 1 1 67 67 LEU CG C 13 26.878 0.012 . 1 . . . A 187 LEU CG . 18725 1 650 . 1 1 67 67 LEU CD1 C 13 26.238 0.010 . 1 . . . A 187 LEU CD1 . 18725 1 651 . 1 1 67 67 LEU CD2 C 13 25.171 0.061 . 1 . . . A 187 LEU CD2 . 18725 1 652 . 1 1 67 67 LEU N N 15 120.828 0.013 . 1 . . . A 187 LEU N . 18725 1 653 . 1 1 68 68 SER H H 1 8.082 0.004 . 1 . . . A 188 SER H . 18725 1 654 . 1 1 68 68 SER HA H 1 3.205 0.092 . 1 . . . A 188 SER HA . 18725 1 655 . 1 1 68 68 SER HB2 H 1 3.467 0.087 . 1 . . . A 188 SER HB2 . 18725 1 656 . 1 1 68 68 SER HB3 H 1 3.217 0.049 . 1 . . . A 188 SER HB3 . 18725 1 657 . 1 1 68 68 SER C C 13 171.627 0.035 . 1 . . . A 188 SER C . 18725 1 658 . 1 1 68 68 SER CA C 13 60.624 0.007 . 1 . . . A 188 SER CA . 18725 1 659 . 1 1 68 68 SER CB C 13 62.962 0.005 . 1 . . . A 188 SER CB . 18725 1 660 . 1 1 68 68 SER N N 15 111.340 0.005 . 1 . . . A 188 SER N . 18725 1 661 . 1 1 69 69 ASN H H 1 6.988 0.004 . 1 . . . A 189 ASN H . 18725 1 662 . 1 1 69 69 ASN HA H 1 4.702 0.011 . 1 . . . A 189 ASN HA . 18725 1 663 . 1 1 69 69 ASN HB2 H 1 2.814 0.089 . 1 . . . A 189 ASN HB2 . 18725 1 664 . 1 1 69 69 ASN HB3 H 1 2.561 0.005 . 1 . . . A 189 ASN HB3 . 18725 1 665 . 1 1 69 69 ASN HD21 H 1 7.586 0.039 . 1 . . . A 189 ASN HD21 . 18725 1 666 . 1 1 69 69 ASN HD22 H 1 6.845 0.115 . 1 . . . A 189 ASN HD22 . 18725 1 667 . 1 1 69 69 ASN C C 13 171.873 0.090 . 1 . . . A 189 ASN C . 18725 1 668 . 1 1 69 69 ASN CA C 13 52.786 0.092 . 1 . . . A 189 ASN CA . 18725 1 669 . 1 1 69 69 ASN CB C 13 40.082 0.005 . 1 . . . A 189 ASN CB . 18725 1 670 . 1 1 69 69 ASN N N 15 116.522 0.006 . 1 . . . A 189 ASN N . 18725 1 671 . 1 1 69 69 ASN ND2 N 15 113.522 0.010 . 1 . . . A 189 ASN ND2 . 18725 1 672 . 1 1 70 70 ALA H H 1 6.904 0.005 . 1 . . . A 190 ALA H . 18725 1 673 . 1 1 70 70 ALA HA H 1 4.172 0.010 . 1 . . . A 190 ALA HA . 18725 1 674 . 1 1 70 70 ALA HB1 H 1 0.858 0.236 . 1 . . . A 190 ALA HB1 . 18725 1 675 . 1 1 70 70 ALA HB2 H 1 0.858 0.013 . 1 . . . A 190 ALA HB2 . 18725 1 676 . 1 1 70 70 ALA HB3 H 1 0.858 0.001 . 1 . . . A 190 ALA HB3 . 18725 1 677 . 1 1 70 70 ALA C C 13 174.825 0.092 . 1 . . . A 190 ALA C . 18725 1 678 . 1 1 70 70 ALA CA C 13 52.558 0.004 . 1 . . . A 190 ALA CA . 18725 1 679 . 1 1 70 70 ALA CB C 13 19.092 0.011 . 1 . . . A 190 ALA CB . 18725 1 680 . 1 1 70 70 ALA N N 15 124.523 0.008 . 1 . . . A 190 ALA N . 18725 1 681 . 1 1 71 71 SER H H 1 8.837 0.148 . 1 . . . A 191 SER H . 18725 1 682 . 1 1 71 71 SER HA H 1 4.417 0.027 . 1 . . . A 191 SER HA . 18725 1 683 . 1 1 71 71 SER HB2 H 1 4.236 0.043 . 1 . . . A 191 SER HB2 . 18725 1 684 . 1 1 71 71 SER HB3 H 1 4.039 0.087 . 1 . . . A 191 SER HB3 . 18725 1 685 . 1 1 71 71 SER C C 13 172.472 0.027 . 1 . . . A 191 SER C . 18725 1 686 . 1 1 71 71 SER CA C 13 57.063 0.008 . 1 . . . A 191 SER CA . 18725 1 687 . 1 1 71 71 SER CB C 13 65.194 0.007 . 1 . . . A 191 SER CB . 18725 1 688 . 1 1 71 71 SER N N 15 118.882 0.004 . 1 . . . A 191 SER N . 18725 1 689 . 1 1 72 72 ILE H H 1 8.719 0.012 . 1 . . . A 192 ILE H . 18725 1 690 . 1 1 72 72 ILE HA H 1 3.554 0.001 . 1 . . . A 192 ILE HA . 18725 1 691 . 1 1 72 72 ILE HB H 1 1.640 0.005 . 1 . . . A 192 ILE HB . 18725 1 692 . 1 1 72 72 ILE HG12 H 1 1.269 0.039 . 1 . . . A 192 ILE HG12 . 18725 1 693 . 1 1 72 72 ILE HG13 H 1 0.949 0.007 . 1 . . . A 192 ILE HG13 . 18725 1 694 . 1 1 72 72 ILE HG21 H 1 0.791 0.009 . 1 . . . A 192 ILE HG21 . 18725 1 695 . 1 1 72 72 ILE HG22 H 1 0.791 0.008 . 1 . . . A 192 ILE HG22 . 18725 1 696 . 1 1 72 72 ILE HG23 H 1 0.791 0.079 . 1 . . . A 192 ILE HG23 . 18725 1 697 . 1 1 72 72 ILE HD11 H 1 0.552 0.068 . 1 . . . A 192 ILE HD11 . 18725 1 698 . 1 1 72 72 ILE HD12 H 1 0.552 0.006 . 1 . . . A 192 ILE HD12 . 18725 1 699 . 1 1 72 72 ILE HD13 H 1 0.552 0.003 . 1 . . . A 192 ILE HD13 . 18725 1 700 . 1 1 72 72 ILE C C 13 175.254 0.011 . 1 . . . A 192 ILE C . 18725 1 701 . 1 1 72 72 ILE CA C 13 64.530 0.059 . 1 . . . A 192 ILE CA . 18725 1 702 . 1 1 72 72 ILE CB C 13 36.929 0.015 . 1 . . . A 192 ILE CB . 18725 1 703 . 1 1 72 72 ILE CG1 C 13 28.786 0.086 . 1 . . . A 192 ILE CG1 . 18725 1 704 . 1 1 72 72 ILE CG2 C 13 17.446 0.120 . 1 . . . A 192 ILE CG2 . 18725 1 705 . 1 1 72 72 ILE CD1 C 13 11.977 0.022 . 1 . . . A 192 ILE CD1 . 18725 1 706 . 1 1 72 72 ILE N N 15 121.469 0.067 . 1 . . . A 192 ILE N . 18725 1 707 . 1 1 73 73 GLY H H 1 8.480 0.004 . 1 . . . A 193 GLY H . 18725 1 708 . 1 1 73 73 GLY HA2 H 1 3.835 0.005 . 1 . . . A 193 GLY HA2 . 18725 1 709 . 1 1 73 73 GLY HA3 H 1 3.794 0.005 . 1 . . . A 193 GLY HA3 . 18725 1 710 . 1 1 73 73 GLY C C 13 174.145 0.002 . 1 . . . A 193 GLY C . 18725 1 711 . 1 1 73 73 GLY CA C 13 46.862 0.003 . 1 . . . A 193 GLY CA . 18725 1 712 . 1 1 73 73 GLY N N 15 106.731 0.040 . 1 . . . A 193 GLY N . 18725 1 713 . 1 1 74 74 GLU H H 1 7.699 0.006 . 1 . . . A 194 GLU H . 18725 1 714 . 1 1 74 74 GLU HA H 1 4.132 0.039 . 1 . . . A 194 GLU HA . 18725 1 715 . 1 1 74 74 GLU HB2 H 1 2.354 0.039 . 1 . . . A 194 GLU HB2 . 18725 1 716 . 1 1 74 74 GLU HB3 H 1 2.150 0.004 . 1 . . . A 194 GLU HB3 . 18725 1 717 . 1 1 74 74 GLU HG2 H 1 2.360 0.004 . 1 . . . A 194 GLU HG2 . 18725 1 718 . 1 1 74 74 GLU HG3 H 1 2.360 0.003 . 1 . . . A 194 GLU HG3 . 18725 1 719 . 1 1 74 74 GLU C C 13 177.310 0.070 . 1 . . . A 194 GLU C . 18725 1 720 . 1 1 74 74 GLU CA C 13 59.150 0.029 . 1 . . . A 194 GLU CA . 18725 1 721 . 1 1 74 74 GLU CB C 13 30.467 0.035 . 1 . . . A 194 GLU CB . 18725 1 722 . 1 1 74 74 GLU CG C 13 37.606 0.126 . 1 . . . A 194 GLU CG . 18725 1 723 . 1 1 74 74 GLU N N 15 121.047 0.078 . 1 . . . A 194 GLU N . 18725 1 724 . 1 1 75 75 LEU H H 1 8.097 0.006 . 1 . . . A 195 LEU H . 18725 1 725 . 1 1 75 75 LEU HA H 1 4.002 0.005 . 1 . . . A 195 LEU HA . 18725 1 726 . 1 1 75 75 LEU HB2 H 1 2.095 0.008 . 1 . . . A 195 LEU HB2 . 18725 1 727 . 1 1 75 75 LEU HB3 H 1 0.984 0.005 . 1 . . . A 195 LEU HB3 . 18725 1 728 . 1 1 75 75 LEU HG H 1 1.568 0.099 . 1 . . . A 195 LEU HG . 18725 1 729 . 1 1 75 75 LEU HD11 H 1 0.850 0.011 . 1 . . . A 195 LEU HD11 . 18725 1 730 . 1 1 75 75 LEU HD12 H 1 0.850 0.023 . 1 . . . A 195 LEU HD12 . 18725 1 731 . 1 1 75 75 LEU HD13 H 1 0.850 0.069 . 1 . . . A 195 LEU HD13 . 18725 1 732 . 1 1 75 75 LEU HD21 H 1 0.442 0.154 . 1 . . . A 195 LEU HD21 . 18725 1 733 . 1 1 75 75 LEU HD22 H 1 0.442 0.085 . 1 . . . A 195 LEU HD22 . 18725 1 734 . 1 1 75 75 LEU HD23 H 1 0.442 0.004 . 1 . . . A 195 LEU HD23 . 18725 1 735 . 1 1 75 75 LEU C C 13 177.328 0.005 . 1 . . . A 195 LEU C . 18725 1 736 . 1 1 75 75 LEU CA C 13 57.922 0.003 . 1 . . . A 195 LEU CA . 18725 1 737 . 1 1 75 75 LEU CB C 13 43.573 0.006 . 1 . . . A 195 LEU CB . 18725 1 738 . 1 1 75 75 LEU CG C 13 26.371 0.042 . 1 . . . A 195 LEU CG . 18725 1 739 . 1 1 75 75 LEU CD1 C 13 25.912 0.019 . 1 . . . A 195 LEU CD1 . 18725 1 740 . 1 1 75 75 LEU CD2 C 13 23.174 0.007 . 1 . . . A 195 LEU CD2 . 18725 1 741 . 1 1 75 75 LEU N N 15 119.422 0.074 . 1 . . . A 195 LEU N . 18725 1 742 . 1 1 76 76 GLU H H 1 9.227 0.065 . 1 . . . A 196 GLU H . 18725 1 743 . 1 1 76 76 GLU HA H 1 3.690 0.115 . 1 . . . A 196 GLU HA . 18725 1 744 . 1 1 76 76 GLU HB2 H 1 2.025 0.074 . 1 . . . A 196 GLU HB2 . 18725 1 745 . 1 1 76 76 GLU HB3 H 1 2.025 0.064 . 1 . . . A 196 GLU HB3 . 18725 1 746 . 1 1 76 76 GLU HG2 H 1 2.201 0.005 . 1 . . . A 196 GLU HG2 . 18725 1 747 . 1 1 76 76 GLU HG3 H 1 2.118 0.007 . 1 . . . A 196 GLU HG3 . 18725 1 748 . 1 1 76 76 GLU C C 13 175.754 0.009 . 1 . . . A 196 GLU C . 18725 1 749 . 1 1 76 76 GLU CA C 13 58.911 0.011 . 1 . . . A 196 GLU CA . 18725 1 750 . 1 1 76 76 GLU CB C 13 29.121 0.007 . 1 . . . A 196 GLU CB . 18725 1 751 . 1 1 76 76 GLU CG C 13 36.225 0.010 . 1 . . . A 196 GLU CG . 18725 1 752 . 1 1 76 76 GLU N N 15 121.048 0.011 . 1 . . . A 196 GLU N . 18725 1 753 . 1 1 77 77 GLN H H 1 7.195 0.068 . 1 . . . A 197 GLN H . 18725 1 754 . 1 1 77 77 GLN HA H 1 4.045 0.007 . 1 . . . A 197 GLN HA . 18725 1 755 . 1 1 77 77 GLN HB2 H 1 2.217 0.099 . 1 . . . A 197 GLN HB2 . 18725 1 756 . 1 1 77 77 GLN HB3 H 1 2.088 0.091 . 1 . . . A 197 GLN HB3 . 18725 1 757 . 1 1 77 77 GLN HG2 H 1 2.614 0.000 . 1 . . . A 197 GLN HG2 . 18725 1 758 . 1 1 77 77 GLN HG3 H 1 2.502 0.006 . 1 . . . A 197 GLN HG3 . 18725 1 759 . 1 1 77 77 GLN C C 13 173.330 0.009 . 1 . . . A 197 GLN C . 18725 1 760 . 1 1 77 77 GLN CA C 13 58.040 0.006 . 1 . . . A 197 GLN CA . 18725 1 761 . 1 1 77 77 GLN CB C 13 28.990 0.004 . 1 . . . A 197 GLN CB . 18725 1 762 . 1 1 77 77 GLN CG C 13 33.961 0.012 . 1 . . . A 197 GLN CG . 18725 1 763 . 1 1 77 77 GLN N N 15 116.225 0.059 . 1 . . . A 197 GLN N . 18725 1 764 . 1 1 78 78 VAL H H 1 7.595 0.024 . 1 . . . A 198 VAL H . 18725 1 765 . 1 1 78 78 VAL HA H 1 4.177 0.006 . 1 . . . A 198 VAL HA . 18725 1 766 . 1 1 78 78 VAL HB H 1 2.130 0.063 . 1 . . . A 198 VAL HB . 18725 1 767 . 1 1 78 78 VAL HG11 H 1 1.092 0.013 . 1 . . . A 198 VAL HG11 . 18725 1 768 . 1 1 78 78 VAL HG12 H 1 1.092 0.036 . 1 . . . A 198 VAL HG12 . 18725 1 769 . 1 1 78 78 VAL HG13 H 1 1.092 0.007 . 1 . . . A 198 VAL HG13 . 18725 1 770 . 1 1 78 78 VAL HG21 H 1 0.969 0.008 . 1 . . . A 198 VAL HG21 . 18725 1 771 . 1 1 78 78 VAL HG22 H 1 0.969 0.068 . 1 . . . A 198 VAL HG22 . 18725 1 772 . 1 1 78 78 VAL HG23 H 1 0.969 0.017 . 1 . . . A 198 VAL HG23 . 18725 1 773 . 1 1 78 78 VAL C C 13 174.247 0.052 . 1 . . . A 198 VAL C . 18725 1 774 . 1 1 78 78 VAL CA C 13 63.886 0.081 . 1 . . . A 198 VAL CA . 18725 1 775 . 1 1 78 78 VAL CB C 13 33.828 0.098 . 1 . . . A 198 VAL CB . 18725 1 776 . 1 1 78 78 VAL CG1 C 13 21.933 0.045 . 1 . . . A 198 VAL CG1 . 18725 1 777 . 1 1 78 78 VAL CG2 C 13 22.417 0.004 . 1 . . . A 198 VAL CG2 . 18725 1 778 . 1 1 78 78 VAL N N 15 114.843 0.006 . 1 . . . A 198 VAL N . 18725 1 779 . 1 1 79 79 VAL H H 1 7.741 0.004 . 1 . . . A 199 VAL H . 18725 1 780 . 1 1 79 79 VAL HA H 1 4.682 0.007 . 1 . . . A 199 VAL HA . 18725 1 781 . 1 1 79 79 VAL HB H 1 2.439 0.039 . 1 . . . A 199 VAL HB . 18725 1 782 . 1 1 79 79 VAL HG11 H 1 0.868 0.013 . 1 . . . A 199 VAL HG11 . 18725 1 783 . 1 1 79 79 VAL HG12 H 1 0.868 0.010 . 1 . . . A 199 VAL HG12 . 18725 1 784 . 1 1 79 79 VAL HG13 H 1 0.868 0.007 . 1 . . . A 199 VAL HG13 . 18725 1 785 . 1 1 79 79 VAL HG21 H 1 0.815 0.014 . 1 . . . A 199 VAL HG21 . 18725 1 786 . 1 1 79 79 VAL HG22 H 1 0.815 0.079 . 1 . . . A 199 VAL HG22 . 18725 1 787 . 1 1 79 79 VAL HG23 H 1 0.815 0.093 . 1 . . . A 199 VAL HG23 . 18725 1 788 . 1 1 79 79 VAL C C 13 173.590 0.053 . 1 . . . A 199 VAL C . 18725 1 789 . 1 1 79 79 VAL CA C 13 60.622 0.005 . 1 . . . A 199 VAL CA . 18725 1 790 . 1 1 79 79 VAL CB C 13 34.026 0.007 . 1 . . . A 199 VAL CB . 18725 1 791 . 1 1 79 79 VAL CG1 C 13 22.609 0.009 . 1 . . . A 199 VAL CG1 . 18725 1 792 . 1 1 79 79 VAL CG2 C 13 17.713 0.013 . 1 . . . A 199 VAL CG2 . 18725 1 793 . 1 1 79 79 VAL N N 15 106.257 0.100 . 1 . . . A 199 VAL N . 18725 1 794 . 1 1 80 80 GLY H H 1 8.120 0.012 . 1 . . . A 200 GLY H . 18725 1 795 . 1 1 80 80 GLY HA2 H 1 4.496 0.003 . 1 . . . A 200 GLY HA2 . 18725 1 796 . 1 1 80 80 GLY HA3 H 1 3.984 0.006 . 1 . . . A 200 GLY HA3 . 18725 1 797 . 1 1 80 80 GLY C C 13 170.792 0.106 . 1 . . . A 200 GLY C . 18725 1 798 . 1 1 80 80 GLY CA C 13 44.883 0.043 . 1 . . . A 200 GLY CA . 18725 1 799 . 1 1 80 80 GLY N N 15 111.054 0.066 . 1 . . . A 200 GLY N . 18725 1 800 . 1 1 81 81 GLN H H 1 8.661 0.008 . 1 . . . A 201 GLN H . 18725 1 801 . 1 1 81 81 GLN HA H 1 3.742 0.010 . 1 . . . A 201 GLN HA . 18725 1 802 . 1 1 81 81 GLN HB2 H 1 2.122 0.008 . 1 . . . A 201 GLN HB2 . 18725 1 803 . 1 1 81 81 GLN HB3 H 1 2.027 0.004 . 1 . . . A 201 GLN HB3 . 18725 1 804 . 1 1 81 81 GLN HG2 H 1 2.343 0.173 . 1 . . . A 201 GLN HG2 . 18725 1 805 . 1 1 81 81 GLN HG3 H 1 2.259 0.000 . 1 . . . A 201 GLN HG3 . 18725 1 806 . 1 1 81 81 GLN C C 13 174.447 0.059 . 1 . . . A 201 GLN C . 18725 1 807 . 1 1 81 81 GLN CA C 13 60.615 0.049 . 1 . . . A 201 GLN CA . 18725 1 808 . 1 1 81 81 GLN CB C 13 29.192 0.098 . 1 . . . A 201 GLN CB . 18725 1 809 . 1 1 81 81 GLN CG C 13 33.955 0.011 . 1 . . . A 201 GLN CG . 18725 1 810 . 1 1 81 81 GLN N N 15 119.321 0.007 . 1 . . . A 201 GLN N . 18725 1 811 . 1 1 82 82 ALA H H 1 8.447 0.016 . 1 . . . A 202 ALA H . 18725 1 812 . 1 1 82 82 ALA HA H 1 4.086 0.010 . 1 . . . A 202 ALA HA . 18725 1 813 . 1 1 82 82 ALA HB1 H 1 1.433 0.072 . 1 . . . A 202 ALA HB1 . 18725 1 814 . 1 1 82 82 ALA HB2 H 1 1.433 0.006 . 1 . . . A 202 ALA HB2 . 18725 1 815 . 1 1 82 82 ALA HB3 H 1 1.433 0.005 . 1 . . . A 202 ALA HB3 . 18725 1 816 . 1 1 82 82 ALA C C 13 178.658 0.083 . 1 . . . A 202 ALA C . 18725 1 817 . 1 1 82 82 ALA CA C 13 55.675 0.135 . 1 . . . A 202 ALA CA . 18725 1 818 . 1 1 82 82 ALA CB C 13 18.003 0.076 . 1 . . . A 202 ALA CB . 18725 1 819 . 1 1 82 82 ALA N N 15 121.961 0.033 . 1 . . . A 202 ALA N . 18725 1 820 . 1 1 83 83 VAL H H 1 8.540 0.018 . 1 . . . A 203 VAL H . 18725 1 821 . 1 1 83 83 VAL HA H 1 3.761 0.007 . 1 . . . A 203 VAL HA . 18725 1 822 . 1 1 83 83 VAL HB H 1 1.787 0.014 . 1 . . . A 203 VAL HB . 18725 1 823 . 1 1 83 83 VAL HG11 H 1 1.085 0.012 . 1 . . . A 203 VAL HG11 . 18725 1 824 . 1 1 83 83 VAL HG12 H 1 1.085 0.014 . 1 . . . A 203 VAL HG12 . 18725 1 825 . 1 1 83 83 VAL HG13 H 1 1.085 0.009 . 1 . . . A 203 VAL HG13 . 18725 1 826 . 1 1 83 83 VAL HG21 H 1 0.826 0.000 . 1 . . . A 203 VAL HG21 . 18725 1 827 . 1 1 83 83 VAL HG22 H 1 0.826 0.046 . 1 . . . A 203 VAL HG22 . 18725 1 828 . 1 1 83 83 VAL HG23 H 1 0.826 0.080 . 1 . . . A 203 VAL HG23 . 18725 1 829 . 1 1 83 83 VAL C C 13 175.289 0.089 . 1 . . . A 203 VAL C . 18725 1 830 . 1 1 83 83 VAL CA C 13 65.398 0.020 . 1 . . . A 203 VAL CA . 18725 1 831 . 1 1 83 83 VAL CB C 13 31.051 0.006 . 1 . . . A 203 VAL CB . 18725 1 832 . 1 1 83 83 VAL CG1 C 13 23.546 0.012 . 1 . . . A 203 VAL CG1 . 18725 1 833 . 1 1 83 83 VAL CG2 C 13 22.136 0.007 . 1 . . . A 203 VAL CG2 . 18725 1 834 . 1 1 83 83 VAL N N 15 118.956 0.007 . 1 . . . A 203 VAL N . 18725 1 835 . 1 1 84 84 ALA H H 1 8.025 0.152 . 1 . . . A 204 ALA H . 18725 1 836 . 1 1 84 84 ALA HA H 1 3.738 0.008 . 1 . . . A 204 ALA HA . 18725 1 837 . 1 1 84 84 ALA HB1 H 1 1.415 0.009 . 1 . . . A 204 ALA HB1 . 18725 1 838 . 1 1 84 84 ALA HB2 H 1 1.415 0.003 . 1 . . . A 204 ALA HB2 . 18725 1 839 . 1 1 84 84 ALA HB3 H 1 1.415 0.117 . 1 . . . A 204 ALA HB3 . 18725 1 840 . 1 1 84 84 ALA C C 13 176.373 0.148 . 1 . . . A 204 ALA C . 18725 1 841 . 1 1 84 84 ALA CA C 13 56.002 0.023 . 1 . . . A 204 ALA CA . 18725 1 842 . 1 1 84 84 ALA CB C 13 20.101 0.001 . 1 . . . A 204 ALA CB . 18725 1 843 . 1 1 84 84 ALA N N 15 122.844 0.006 . 1 . . . A 204 ALA N . 18725 1 844 . 1 1 85 85 GLN H H 1 7.824 0.007 . 1 . . . A 205 GLN H . 18725 1 845 . 1 1 85 85 GLN HA H 1 3.907 0.006 . 1 . . . A 205 GLN HA . 18725 1 846 . 1 1 85 85 GLN HB2 H 1 2.186 0.075 . 1 . . . A 205 GLN HB2 . 18725 1 847 . 1 1 85 85 GLN HB3 H 1 2.186 0.141 . 1 . . . A 205 GLN HB3 . 18725 1 848 . 1 1 85 85 GLN HG2 H 1 2.574 0.036 . 1 . . . A 205 GLN HG2 . 18725 1 849 . 1 1 85 85 GLN HG3 H 1 2.445 0.033 . 1 . . . A 205 GLN HG3 . 18725 1 850 . 1 1 85 85 GLN C C 13 176.477 0.003 . 1 . . . A 205 GLN C . 18725 1 851 . 1 1 85 85 GLN CA C 13 59.128 0.005 . 1 . . . A 205 GLN CA . 18725 1 852 . 1 1 85 85 GLN CB C 13 28.032 0.007 . 1 . . . A 205 GLN CB . 18725 1 853 . 1 1 85 85 GLN CG C 13 33.713 0.010 . 1 . . . A 205 GLN CG . 18725 1 854 . 1 1 85 85 GLN N N 15 114.385 0.013 . 1 . . . A 205 GLN N . 18725 1 855 . 1 1 86 86 GLN H H 1 7.467 0.011 . 1 . . . A 206 GLN H . 18725 1 856 . 1 1 86 86 GLN HA H 1 4.093 0.015 . 1 . . . A 206 GLN HA . 18725 1 857 . 1 1 86 86 GLN HB2 H 1 2.244 0.058 . 1 . . . A 206 GLN HB2 . 18725 1 858 . 1 1 86 86 GLN HB3 H 1 2.244 0.007 . 1 . . . A 206 GLN HB3 . 18725 1 859 . 1 1 86 86 GLN HG2 H 1 2.454 0.005 . 1 . . . A 206 GLN HG2 . 18725 1 860 . 1 1 86 86 GLN HG3 H 1 2.408 0.004 . 1 . . . A 206 GLN HG3 . 18725 1 861 . 1 1 86 86 GLN C C 13 176.612 0.078 . 1 . . . A 206 GLN C . 18725 1 862 . 1 1 86 86 GLN CA C 13 59.089 0.111 . 1 . . . A 206 GLN CA . 18725 1 863 . 1 1 86 86 GLN CB C 13 28.639 0.081 . 1 . . . A 206 GLN CB . 18725 1 864 . 1 1 86 86 GLN CG C 13 34.179 0.053 . 1 . . . A 206 GLN CG . 18725 1 865 . 1 1 86 86 GLN N N 15 119.529 0.020 . 1 . . . A 206 GLN N . 18725 1 866 . 1 1 87 87 ILE H H 1 8.548 0.004 . 1 . . . A 207 ILE H . 18725 1 867 . 1 1 87 87 ILE HA H 1 3.576 0.017 . 1 . . . A 207 ILE HA . 18725 1 868 . 1 1 87 87 ILE HB H 1 1.940 0.008 . 1 . . . A 207 ILE HB . 18725 1 869 . 1 1 87 87 ILE HG12 H 1 1.865 0.003 . 1 . . . A 207 ILE HG12 . 18725 1 870 . 1 1 87 87 ILE HG13 H 1 0.824 0.005 . 1 . . . A 207 ILE HG13 . 18725 1 871 . 1 1 87 87 ILE HG21 H 1 1.014 0.101 . 1 . . . A 207 ILE HG21 . 18725 1 872 . 1 1 87 87 ILE HG22 H 1 1.014 0.007 . 1 . . . A 207 ILE HG22 . 18725 1 873 . 1 1 87 87 ILE HG23 H 1 1.014 0.000 . 1 . . . A 207 ILE HG23 . 18725 1 874 . 1 1 87 87 ILE HD11 H 1 0.813 0.059 . 1 . . . A 207 ILE HD11 . 18725 1 875 . 1 1 87 87 ILE HD12 H 1 0.813 0.107 . 1 . . . A 207 ILE HD12 . 18725 1 876 . 1 1 87 87 ILE HD13 H 1 0.813 0.097 . 1 . . . A 207 ILE HD13 . 18725 1 877 . 1 1 87 87 ILE C C 13 174.200 0.008 . 1 . . . A 207 ILE C . 18725 1 878 . 1 1 87 87 ILE CA C 13 65.601 0.007 . 1 . . . A 207 ILE CA . 18725 1 879 . 1 1 87 87 ILE CB C 13 38.245 0.008 . 1 . . . A 207 ILE CB . 18725 1 880 . 1 1 87 87 ILE CG1 C 13 28.859 0.085 . 1 . . . A 207 ILE CG1 . 18725 1 881 . 1 1 87 87 ILE CG2 C 13 17.876 0.010 . 1 . . . A 207 ILE CG2 . 18725 1 882 . 1 1 87 87 ILE CD1 C 13 17.160 0.000 . 1 . . . A 207 ILE CD1 . 18725 1 883 . 1 1 87 87 ILE N N 15 121.512 0.121 . 1 . . . A 207 ILE N . 18725 1 884 . 1 1 88 88 HIS H H 1 8.305 0.168 . 1 . . . A 208 HIS H . 18725 1 885 . 1 1 88 88 HIS HA H 1 4.389 0.001 . 1 . . . A 208 HIS HA . 18725 1 886 . 1 1 88 88 HIS HB2 H 1 3.135 0.000 . 1 . . . A 208 HIS HB2 . 18725 1 887 . 1 1 88 88 HIS HB3 H 1 3.029 0.000 . 1 . . . A 208 HIS HB3 . 18725 1 888 . 1 1 88 88 HIS HD2 H 1 7.214 0.024 . 1 . . . A 208 HIS HD2 . 18725 1 889 . 1 1 88 88 HIS C C 13 175.924 0.082 . 1 . . . A 208 HIS C . 18725 1 890 . 1 1 88 88 HIS CA C 13 60.063 0.104 . 1 . . . A 208 HIS CA . 18725 1 891 . 1 1 88 88 HIS CB C 13 29.758 0.053 . 1 . . . A 208 HIS CB . 18725 1 892 . 1 1 88 88 HIS CD2 C 13 120.492 0.001 . 1 . . . A 208 HIS CD2 . 18725 1 893 . 1 1 88 88 HIS N N 15 117.504 0.042 . 1 . . . A 208 HIS N . 18725 1 894 . 1 1 89 89 ALA H H 1 8.244 0.010 . 1 . . . A 209 ALA H . 18725 1 895 . 1 1 89 89 ALA HA H 1 3.990 0.089 . 1 . . . A 209 ALA HA . 18725 1 896 . 1 1 89 89 ALA HB1 H 1 1.505 0.008 . 1 . . . A 209 ALA HB1 . 18725 1 897 . 1 1 89 89 ALA HB2 H 1 1.505 0.007 . 1 . . . A 209 ALA HB2 . 18725 1 898 . 1 1 89 89 ALA HB3 H 1 1.505 0.003 . 1 . . . A 209 ALA HB3 . 18725 1 899 . 1 1 89 89 ALA C C 13 176.760 0.001 . 1 . . . A 209 ALA C . 18725 1 900 . 1 1 89 89 ALA CA C 13 54.878 0.036 . 1 . . . A 209 ALA CA . 18725 1 901 . 1 1 89 89 ALA CB C 13 18.149 0.003 . 1 . . . A 209 ALA CB . 18725 1 902 . 1 1 89 89 ALA N N 15 120.769 0.012 . 1 . . . A 209 ALA N . 18725 1 903 . 1 1 90 90 PHE H H 1 7.903 0.003 . 1 . . . A 210 PHE H . 18725 1 904 . 1 1 90 90 PHE HA H 1 4.009 0.167 . 1 . . . A 210 PHE HA . 18725 1 905 . 1 1 90 90 PHE HB2 H 1 3.025 0.033 . 1 . . . A 210 PHE HB2 . 18725 1 906 . 1 1 90 90 PHE HB3 H 1 2.965 0.074 . 1 . . . A 210 PHE HB3 . 18725 1 907 . 1 1 90 90 PHE HD1 H 1 6.166 0.064 . 1 . . . A 210 PHE HD1 . 18725 1 908 . 1 1 90 90 PHE HD2 H 1 6.166 0.003 . 1 . . . A 210 PHE HD2 . 18725 1 909 . 1 1 90 90 PHE HE1 H 1 6.891 0.087 . 1 . . . A 210 PHE HE1 . 18725 1 910 . 1 1 90 90 PHE HE2 H 1 6.891 0.000 . 1 . . . A 210 PHE HE2 . 18725 1 911 . 1 1 90 90 PHE C C 13 174.749 0.103 . 1 . . . A 210 PHE C . 18725 1 912 . 1 1 90 90 PHE CA C 13 61.281 0.110 . 1 . . . A 210 PHE CA . 18725 1 913 . 1 1 90 90 PHE CB C 13 39.234 0.005 . 1 . . . A 210 PHE CB . 18725 1 914 . 1 1 90 90 PHE CD1 C 13 131.506 0.008 . 1 . . . A 210 PHE CD1 . 18725 1 915 . 1 1 90 90 PHE CD2 C 13 131.506 0.087 . 1 . . . A 210 PHE CD2 . 18725 1 916 . 1 1 90 90 PHE CE1 C 13 131.078 0.018 . 1 . . . A 210 PHE CE1 . 18725 1 917 . 1 1 90 90 PHE CE2 C 13 131.078 0.004 . 1 . . . A 210 PHE CE2 . 18725 1 918 . 1 1 90 90 PHE N N 15 119.492 0.049 . 1 . . . A 210 PHE N . 18725 1 919 . 1 1 91 91 PHE H H 1 7.491 0.134 . 1 . . . A 211 PHE H . 18725 1 920 . 1 1 91 91 PHE HA H 1 4.376 0.005 . 1 . . . A 211 PHE HA . 18725 1 921 . 1 1 91 91 PHE HB2 H 1 3.410 0.015 . 1 . . . A 211 PHE HB2 . 18725 1 922 . 1 1 91 91 PHE HB3 H 1 2.832 0.086 . 1 . . . A 211 PHE HB3 . 18725 1 923 . 1 1 91 91 PHE HD1 H 1 7.458 0.018 . 1 . . . A 211 PHE HD1 . 18725 1 924 . 1 1 91 91 PHE HD2 H 1 7.458 0.000 . 1 . . . A 211 PHE HD2 . 18725 1 925 . 1 1 91 91 PHE HE1 H 1 7.179 0.010 . 1 . . . A 211 PHE HE1 . 18725 1 926 . 1 1 91 91 PHE HE2 H 1 7.179 0.057 . 1 . . . A 211 PHE HE2 . 18725 1 927 . 1 1 91 91 PHE C C 13 173.560 0.005 . 1 . . . A 211 PHE C . 18725 1 928 . 1 1 91 91 PHE CA C 13 60.418 0.003 . 1 . . . A 211 PHE CA . 18725 1 929 . 1 1 91 91 PHE CB C 13 39.638 0.005 . 1 . . . A 211 PHE CB . 18725 1 930 . 1 1 91 91 PHE CD1 C 13 132.570 0.005 . 1 . . . A 211 PHE CD1 . 18725 1 931 . 1 1 91 91 PHE CD2 C 13 132.570 0.006 . 1 . . . A 211 PHE CD2 . 18725 1 932 . 1 1 91 91 PHE N N 15 113.158 0.004 . 1 . . . A 211 PHE N . 18725 1 933 . 1 1 92 92 THR H H 1 7.543 0.050 . 1 . . . A 212 THR H . 18725 1 934 . 1 1 92 92 THR HA H 1 4.322 0.004 . 1 . . . A 212 THR HA . 18725 1 935 . 1 1 92 92 THR HB H 1 4.128 0.000 . 1 . . . A 212 THR HB . 18725 1 936 . 1 1 92 92 THR HG21 H 1 1.020 0.198 . 1 . . . A 212 THR HG21 . 18725 1 937 . 1 1 92 92 THR HG22 H 1 1.020 0.099 . 1 . . . A 212 THR HG22 . 18725 1 938 . 1 1 92 92 THR HG23 H 1 1.020 0.008 . 1 . . . A 212 THR HG23 . 18725 1 939 . 1 1 92 92 THR C C 13 171.555 0.015 . 1 . . . A 212 THR C . 18725 1 940 . 1 1 92 92 THR CA C 13 62.668 0.013 . 1 . . . A 212 THR CA . 18725 1 941 . 1 1 92 92 THR CB C 13 69.933 0.018 . 1 . . . A 212 THR CB . 18725 1 942 . 1 1 92 92 THR CG2 C 13 21.257 0.094 . 1 . . . A 212 THR CG2 . 18725 1 943 . 1 1 92 92 THR N N 15 111.345 0.149 . 1 . . . A 212 THR N . 18725 1 944 . 1 1 93 93 GLN H H 1 7.684 0.002 . 1 . . . A 213 GLN H . 18725 1 945 . 1 1 93 93 GLN HA H 1 4.547 0.015 . 1 . . . A 213 GLN HA . 18725 1 946 . 1 1 93 93 GLN HB2 H 1 1.975 0.071 . 1 . . . A 213 GLN HB2 . 18725 1 947 . 1 1 93 93 GLN HB3 H 1 1.900 0.013 . 1 . . . A 213 GLN HB3 . 18725 1 948 . 1 1 93 93 GLN HG2 H 1 2.317 0.029 . 1 . . . A 213 GLN HG2 . 18725 1 949 . 1 1 93 93 GLN HG3 H 1 2.317 0.063 . 1 . . . A 213 GLN HG3 . 18725 1 950 . 1 1 93 93 GLN C C 13 170.915 0.160 . 1 . . . A 213 GLN C . 18725 1 951 . 1 1 93 93 GLN CA C 13 53.866 0.009 . 1 . . . A 213 GLN CA . 18725 1 952 . 1 1 93 93 GLN CB C 13 28.679 0.016 . 1 . . . A 213 GLN CB . 18725 1 953 . 1 1 93 93 GLN CG C 13 33.556 0.085 . 1 . . . A 213 GLN CG . 18725 1 954 . 1 1 93 93 GLN N N 15 123.165 0.019 . 1 . . . A 213 GLN N . 18725 1 955 . 1 1 94 94 PRO HA H 1 4.330 0.005 . 1 . . . A 214 PRO HA . 18725 1 956 . 1 1 94 94 PRO HB2 H 1 2.221 0.071 . 1 . . . A 214 PRO HB2 . 18725 1 957 . 1 1 94 94 PRO HB3 H 1 1.864 0.004 . 1 . . . A 214 PRO HB3 . 18725 1 958 . 1 1 94 94 PRO HG2 H 1 1.978 0.198 . 1 . . . A 214 PRO HG2 . 18725 1 959 . 1 1 94 94 PRO HG3 H 1 1.978 0.006 . 1 . . . A 214 PRO HG3 . 18725 1 960 . 1 1 94 94 PRO HD2 H 1 3.757 0.000 . 1 . . . A 214 PRO HD2 . 18725 1 961 . 1 1 94 94 PRO HD3 H 1 3.575 0.000 . 1 . . . A 214 PRO HD3 . 18725 1 962 . 1 1 94 94 PRO C C 13 173.308 0.003 . 1 . . . A 214 PRO C . 18725 1 963 . 1 1 94 94 PRO CA C 13 63.434 0.061 . 1 . . . A 214 PRO CA . 18725 1 964 . 1 1 94 94 PRO CB C 13 31.934 0.013 . 1 . . . A 214 PRO CB . 18725 1 965 . 1 1 94 94 PRO CG C 13 27.474 0.059 . 1 . . . A 214 PRO CG . 18725 1 966 . 1 1 94 94 PRO CD C 13 50.656 0.080 . 1 . . . A 214 PRO CD . 18725 1 967 . 1 1 95 95 ARG H H 1 7.943 0.003 . 1 . . . A 215 ARG H . 18725 1 968 . 1 1 95 95 ARG HA H 1 4.120 0.009 . 1 . . . A 215 ARG HA . 18725 1 969 . 1 1 95 95 ARG HB2 H 1 1.786 0.027 . 1 . . . A 215 ARG HB2 . 18725 1 970 . 1 1 95 95 ARG HB3 H 1 1.628 0.005 . 1 . . . A 215 ARG HB3 . 18725 1 971 . 1 1 95 95 ARG HG2 H 1 1.513 0.000 . 1 . . . A 215 ARG HG2 . 18725 1 972 . 1 1 95 95 ARG HG3 H 1 1.513 0.036 . 1 . . . A 215 ARG HG3 . 18725 1 973 . 1 1 95 95 ARG HD2 H 1 3.041 0.067 . 1 . . . A 215 ARG HD2 . 18725 1 974 . 1 1 95 95 ARG HD3 H 1 3.041 0.065 . 1 . . . A 215 ARG HD3 . 18725 1 975 . 1 1 95 95 ARG C C 13 178.261 0.005 . 1 . . . A 215 ARG C . 18725 1 976 . 1 1 95 95 ARG CA C 13 57.149 0.008 . 1 . . . A 215 ARG CA . 18725 1 977 . 1 1 95 95 ARG CB C 13 31.688 0.090 . 1 . . . A 215 ARG CB . 18725 1 978 . 1 1 95 95 ARG CG C 13 27.031 0.005 . 1 . . . A 215 ARG CG . 18725 1 979 . 1 1 95 95 ARG CD C 13 43.394 0.012 . 1 . . . A 215 ARG CD . 18725 1 980 . 1 1 95 95 ARG N N 15 126.801 0.036 . 1 . . . A 215 ARG N . 18725 1 stop_ save_