data_15939 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15939 _Entry.Title ; Solution Structure of FOXO3a Forkhead domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-02 _Entry.Accession_date 2008-09-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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 Feng Wang . . . 15939 2 Christopher Marshall . B. . 15939 3 Guang-Yao Li . . . 15939 4 Michael Plevin . J. . 15939 5 Mitsuhiko Ikura . . . 15939 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 . 'not applicable' 'not applicable' . 15939 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding domain' . 15939 Forkhead . 15939 Winged-helix . 15939 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15939 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 15939 '15N chemical shifts' 93 15939 '1H chemical shifts' 593 15939 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 3 . . 2010-05-27 2008-09-02 update BMRB 'update entity/assembly name' 15939 2 . . 2009-03-26 2008-09-02 update BMRB 'complete entry citation' 15939 1 . . 2009-02-16 2008-09-02 original author 'original release' 15939 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K86 'BMRB Entry Tracking System' 15939 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15939 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18824006 _Citation.Full_citation . _Citation.Title 'Biochemical and structural characterization of an intramolecular interaction in FOXO3a and its binding with p53' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 384 _Citation.Journal_issue 3 _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 590 _Citation.Page_last 603 _Citation.Year 2008 _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 Feng Wang . . . 15939 1 2 Christopher Marshall . B. . 15939 1 3 Kazuo Yamamoto . . . 15939 1 4 Guang-Yao Li . . . 15939 1 5 Michael Plevin . J. . 15939 1 6 Han You . . . 15939 1 7 Tak Mak . W. . 15939 1 8 Mitsuhiko Ikura . . . 15939 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15939 _Assembly.ID 1 _Assembly.Name FOXO3a _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 GLYCINE 1 $entity_2 A . yes native no no . . . 15939 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 15939 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FOXO3a _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 ; GSSSRRNAWGNLSYADLITR AIESSPDKRLTLSQIYEWMV RCVPYFKDKGDSNSSAGWKN SIRHNLSLHSRFMRVQNEGT GKSSWWIINPDGGKSGKAPR RRA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '1 and 2 are residues from vector. 3-103 are region 151-250 of human FOXO3a.' _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Forkheead (FH) domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K86 . "Solution Structure Of Foxo3a Forkhead Domain" . . . . . 100.00 103 100.00 100.00 1.07e-67 . . . . 15939 1 2 no PDB 2UZK . "Crystal Structure Of The Human Foxo3a-dbd Bound To Dna" . . . . . 91.26 97 100.00 100.00 9.64e-62 . . . . 15939 1 3 no DBJ BAC33049 . "unnamed protein product [Mus musculus]" . . . . . 98.06 672 100.00 100.00 2.79e-64 . . . . 15939 1 4 no DBJ BAG74316 . "forkhead box O3 [Sus scrofa]" . . . . . 98.06 672 100.00 100.00 2.68e-64 . . . . 15939 1 5 no DBJ BAJ21194 . "forkhead box O3 [synthetic construct]" . . . . . 98.06 673 100.00 100.00 2.55e-64 . . . . 15939 1 6 no GB AAC39592 . "forkhead protein [Homo sapiens]" . . . . . 98.06 673 100.00 100.00 2.55e-64 . . . . 15939 1 7 no GB AAD42107 . "forkhead protein FKHR2 [Mus musculus]" . . . . . 98.06 672 100.00 100.00 2.79e-64 . . . . 15939 1 8 no GB AAH19532 . "Foxo3 protein, partial [Mus musculus]" . . . . . 98.06 277 100.00 100.00 9.58e-67 . . . . 15939 1 9 no GB AAH20227 . "Forkhead box O3 [Homo sapiens]" . . . . . 98.06 673 100.00 100.00 2.55e-64 . . . . 15939 1 10 no GB AAH21224 . "Forkhead box O3 [Homo sapiens]" . . . . . 98.06 673 100.00 100.00 2.55e-64 . . . . 15939 1 11 no REF NP_001099865 . "forkhead box protein O3 [Rattus norvegicus]" . . . . . 98.06 672 100.00 100.00 2.68e-64 . . . . 15939 1 12 no REF NP_001129431 . "forkhead box protein O3 [Sus scrofa]" . . . . . 98.06 672 100.00 100.00 2.68e-64 . . . . 15939 1 13 no REF NP_001193012 . "forkhead box protein O3 [Bos taurus]" . . . . . 98.06 672 100.00 100.00 3.13e-64 . . . . 15939 1 14 no REF NP_001254818 . "forkhead box protein O3 [Ovis aries]" . . . . . 98.06 672 100.00 100.00 3.13e-64 . . . . 15939 1 15 no REF NP_001446 . "forkhead box protein O3 [Homo sapiens]" . . . . . 98.06 673 100.00 100.00 2.55e-64 . . . . 15939 1 16 no SP O43524 . "RecName: Full=Forkhead box protein O3; AltName: Full=AF6q21 protein; AltName: Full=Forkhead in rhabdomyosarcoma-like 1" . . . . . 98.06 673 100.00 100.00 2.55e-64 . . . . 15939 1 17 no SP Q9WVH4 . "RecName: Full=Forkhead box protein O3" . . . . . 98.06 672 100.00 100.00 2.79e-64 . . . . 15939 1 18 no TPG DAA26278 . "TPA: forkhead box O3 [Bos taurus]" . . . . . 98.06 672 100.00 100.00 3.13e-64 . . . . 15939 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 -2 GLY . 15939 1 2 -1 SER . 15939 1 3 151 SER . 15939 1 4 152 SER . 15939 1 5 153 ARG . 15939 1 6 154 ARG . 15939 1 7 155 ASN . 15939 1 8 156 ALA . 15939 1 9 157 TRP . 15939 1 10 158 GLY . 15939 1 11 159 ASN . 15939 1 12 160 LEU . 15939 1 13 161 SER . 15939 1 14 162 TYR . 15939 1 15 163 ALA . 15939 1 16 164 ASP . 15939 1 17 165 LEU . 15939 1 18 166 ILE . 15939 1 19 167 THR . 15939 1 20 168 ARG . 15939 1 21 169 ALA . 15939 1 22 170 ILE . 15939 1 23 171 GLU . 15939 1 24 172 SER . 15939 1 25 173 SER . 15939 1 26 174 PRO . 15939 1 27 175 ASP . 15939 1 28 176 LYS . 15939 1 29 177 ARG . 15939 1 30 178 LEU . 15939 1 31 179 THR . 15939 1 32 180 LEU . 15939 1 33 181 SER . 15939 1 34 182 GLN . 15939 1 35 183 ILE . 15939 1 36 184 TYR . 15939 1 37 185 GLU . 15939 1 38 186 TRP . 15939 1 39 187 MET . 15939 1 40 188 VAL . 15939 1 41 189 ARG . 15939 1 42 190 CYS . 15939 1 43 191 VAL . 15939 1 44 192 PRO . 15939 1 45 193 TYR . 15939 1 46 194 PHE . 15939 1 47 195 LYS . 15939 1 48 196 ASP . 15939 1 49 197 LYS . 15939 1 50 198 GLY . 15939 1 51 199 ASP . 15939 1 52 200 SER . 15939 1 53 201 ASN . 15939 1 54 202 SER . 15939 1 55 203 SER . 15939 1 56 204 ALA . 15939 1 57 205 GLY . 15939 1 58 206 TRP . 15939 1 59 207 LYS . 15939 1 60 208 ASN . 15939 1 61 209 SER . 15939 1 62 210 ILE . 15939 1 63 211 ARG . 15939 1 64 212 HIS . 15939 1 65 213 ASN . 15939 1 66 214 LEU . 15939 1 67 215 SER . 15939 1 68 216 LEU . 15939 1 69 217 HIS . 15939 1 70 218 SER . 15939 1 71 219 ARG . 15939 1 72 220 PHE . 15939 1 73 221 MET . 15939 1 74 222 ARG . 15939 1 75 223 VAL . 15939 1 76 224 GLN . 15939 1 77 225 ASN . 15939 1 78 226 GLU . 15939 1 79 227 GLY . 15939 1 80 228 THR . 15939 1 81 229 GLY . 15939 1 82 230 LYS . 15939 1 83 231 SER . 15939 1 84 232 SER . 15939 1 85 233 TRP . 15939 1 86 234 TRP . 15939 1 87 235 ILE . 15939 1 88 236 ILE . 15939 1 89 237 ASN . 15939 1 90 238 PRO . 15939 1 91 239 ASP . 15939 1 92 240 GLY . 15939 1 93 241 GLY . 15939 1 94 242 LYS . 15939 1 95 243 SER . 15939 1 96 244 GLY . 15939 1 97 245 LYS . 15939 1 98 246 ALA . 15939 1 99 247 PRO . 15939 1 100 248 ARG . 15939 1 101 249 ARG . 15939 1 102 250 ARG . 15939 1 103 251 ALA . 15939 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15939 1 . SER 2 2 15939 1 . SER 3 3 15939 1 . SER 4 4 15939 1 . ARG 5 5 15939 1 . ARG 6 6 15939 1 . ASN 7 7 15939 1 . ALA 8 8 15939 1 . TRP 9 9 15939 1 . GLY 10 10 15939 1 . ASN 11 11 15939 1 . LEU 12 12 15939 1 . SER 13 13 15939 1 . TYR 14 14 15939 1 . ALA 15 15 15939 1 . ASP 16 16 15939 1 . LEU 17 17 15939 1 . ILE 18 18 15939 1 . THR 19 19 15939 1 . ARG 20 20 15939 1 . ALA 21 21 15939 1 . ILE 22 22 15939 1 . GLU 23 23 15939 1 . SER 24 24 15939 1 . SER 25 25 15939 1 . PRO 26 26 15939 1 . ASP 27 27 15939 1 . LYS 28 28 15939 1 . ARG 29 29 15939 1 . LEU 30 30 15939 1 . THR 31 31 15939 1 . LEU 32 32 15939 1 . SER 33 33 15939 1 . GLN 34 34 15939 1 . ILE 35 35 15939 1 . TYR 36 36 15939 1 . GLU 37 37 15939 1 . TRP 38 38 15939 1 . MET 39 39 15939 1 . VAL 40 40 15939 1 . ARG 41 41 15939 1 . CYS 42 42 15939 1 . VAL 43 43 15939 1 . PRO 44 44 15939 1 . TYR 45 45 15939 1 . PHE 46 46 15939 1 . LYS 47 47 15939 1 . ASP 48 48 15939 1 . LYS 49 49 15939 1 . GLY 50 50 15939 1 . ASP 51 51 15939 1 . SER 52 52 15939 1 . ASN 53 53 15939 1 . SER 54 54 15939 1 . SER 55 55 15939 1 . ALA 56 56 15939 1 . GLY 57 57 15939 1 . TRP 58 58 15939 1 . LYS 59 59 15939 1 . ASN 60 60 15939 1 . SER 61 61 15939 1 . ILE 62 62 15939 1 . ARG 63 63 15939 1 . HIS 64 64 15939 1 . ASN 65 65 15939 1 . LEU 66 66 15939 1 . SER 67 67 15939 1 . LEU 68 68 15939 1 . HIS 69 69 15939 1 . SER 70 70 15939 1 . ARG 71 71 15939 1 . PHE 72 72 15939 1 . MET 73 73 15939 1 . ARG 74 74 15939 1 . VAL 75 75 15939 1 . GLN 76 76 15939 1 . ASN 77 77 15939 1 . GLU 78 78 15939 1 . GLY 79 79 15939 1 . THR 80 80 15939 1 . GLY 81 81 15939 1 . LYS 82 82 15939 1 . SER 83 83 15939 1 . SER 84 84 15939 1 . TRP 85 85 15939 1 . TRP 86 86 15939 1 . ILE 87 87 15939 1 . ILE 88 88 15939 1 . ASN 89 89 15939 1 . PRO 90 90 15939 1 . ASP 91 91 15939 1 . GLY 92 92 15939 1 . GLY 93 93 15939 1 . LYS 94 94 15939 1 . SER 95 95 15939 1 . GLY 96 96 15939 1 . LYS 97 97 15939 1 . ALA 98 98 15939 1 . PRO 99 99 15939 1 . ARG 100 100 15939 1 . ARG 101 101 15939 1 . ARG 102 102 15939 1 . ALA 103 103 15939 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 15939 _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 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15939 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 15939 _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 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX4T-1 . . . . . . 15939 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15939 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . 1 $entity_2 . . 20 . . mM . . . . 15939 1 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15939 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15939 1 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 15939 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 15939 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . 1 $entity_2 . . 20 . . mM . . . . 15939 2 2 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15939 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15939 2 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 15939 2 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 15939 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.08 . M 15939 1 pH 6.5 . pH 15939 1 pressure 1 . atm 15939 1 temperature 298 . K 15939 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15939 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 15939 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15939 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15939 _Software.ID 2 _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' . . 15939 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15939 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15939 _Software.ID 3 _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' . . 15939 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15939 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15939 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15939 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15939 4 'peak picking' 15939 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15939 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15939 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15939 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15939 _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' . . 15939 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15939 6 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15939 _Software.ID 7 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15939 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15939 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 15939 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15939 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15939 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15939 _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 . 800 . . . 15939 1 2 spectrometer_2 Varian INOVA . 600 . . . 15939 1 3 spectrometer_3 Varian INOVA . 500 . . . 15939 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 15939 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15939 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15939 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15939 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15939 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15939 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15939 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15939 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15939 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15939 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $Sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15939 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 15939 _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 . indirect 0.251449530 . . . . . . . . . 15939 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15939 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15939 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 15939 _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' . . . 15939 1 2 '3D HNCACB' . . . 15939 1 3 '3D CBCA(CO)NH' . . . 15939 1 4 '3D HNCO' . . . 15939 1 5 '3D C(CO)NH' . . . 15939 1 6 '3D H(CCO)NH' . . . 15939 1 9 '2D 1H-13C HSQC' . . . 15939 1 10 '3D HCCH-TOCSY' . . . 15939 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 1 1 GLY HA2 H 1 3.902 0.009 . 2 . . . . -2 G HA2 . 15939 1 2 . 1 1 1 1 GLY HA3 H 1 3.81 0 . 2 . . . . -2 G HA3 . 15939 1 3 . 1 1 1 1 GLY CA C 13 43.235 0 . 1 . . . . -2 G CA . 15939 1 4 . 1 1 3 3 SER HA H 1 4.535 0.007 . 1 . . . . 151 S HA . 15939 1 5 . 1 1 3 3 SER HB2 H 1 3.935 0.003 . 2 . . . . 151 S HB2 . 15939 1 6 . 1 1 3 3 SER HB3 H 1 3.935 0.003 . 2 . . . . 151 S HB3 . 15939 1 7 . 1 1 3 3 SER C C 13 174.559 0 . 1 . . . . 151 S C . 15939 1 8 . 1 1 3 3 SER CA C 13 58.218 0 . 1 . . . . 151 S CA . 15939 1 9 . 1 1 3 3 SER CB C 13 63.499 0 . 1 . . . . 151 S CB . 15939 1 10 . 1 1 4 4 SER H H 1 8.373 0 . 1 . . . . 152 S H . 15939 1 11 . 1 1 4 4 SER HA H 1 4.431 0.003 . 1 . . . . 152 S HA . 15939 1 12 . 1 1 4 4 SER HB2 H 1 3.892 0.006 . 2 . . . . 152 S HB2 . 15939 1 13 . 1 1 4 4 SER HB3 H 1 3.892 0.006 . 2 . . . . 152 S HB3 . 15939 1 14 . 1 1 4 4 SER C C 13 174.391 0 . 1 . . . . 152 S C . 15939 1 15 . 1 1 4 4 SER CA C 13 58.263 0 . 1 . . . . 152 S CA . 15939 1 16 . 1 1 4 4 SER CB C 13 63.576 0 . 1 . . . . 152 S CB . 15939 1 17 . 1 1 4 4 SER N N 15 117.798 0 . 1 . . . . 152 S N . 15939 1 18 . 1 1 5 5 ARG H H 1 8.307 0 . 1 . . . . 153 R H . 15939 1 19 . 1 1 5 5 ARG HA H 1 4.317 0.007 . 1 . . . . 153 R HA . 15939 1 20 . 1 1 5 5 ARG HB2 H 1 1.807 0.006 . 2 . . . . 153 R HB2 . 15939 1 21 . 1 1 5 5 ARG HB3 H 1 1.807 0.006 . 2 . . . . 153 R HB3 . 15939 1 22 . 1 1 5 5 ARG HD2 H 1 3.211 0.007 . 2 . . . . 153 R HD2 . 15939 1 23 . 1 1 5 5 ARG HD3 H 1 3.211 0.007 . 2 . . . . 153 R HD3 . 15939 1 24 . 1 1 5 5 ARG HG2 H 1 1.597 0.023 . 2 . . . . 153 R HG2 . 15939 1 25 . 1 1 5 5 ARG HG3 H 1 1.597 0.023 . 2 . . . . 153 R HG3 . 15939 1 26 . 1 1 5 5 ARG C C 13 175.998 0 . 1 . . . . 153 R C . 15939 1 27 . 1 1 5 5 ARG CA C 13 55.949 0 . 1 . . . . 153 R CA . 15939 1 28 . 1 1 5 5 ARG CB C 13 30.676 0 . 1 . . . . 153 R CB . 15939 1 29 . 1 1 5 5 ARG CD C 13 43.162 0 . 1 . . . . 153 R CD . 15939 1 30 . 1 1 5 5 ARG CG C 13 27.097 0 . 1 . . . . 153 R CG . 15939 1 31 . 1 1 5 5 ARG N N 15 122.995 0 . 1 . . . . 153 R N . 15939 1 32 . 1 1 6 6 ARG H H 1 8.259 0 . 1 . . . . 154 R H . 15939 1 33 . 1 1 6 6 ARG HA H 1 4.164 0.005 . 1 . . . . 154 R HA . 15939 1 34 . 1 1 6 6 ARG HB2 H 1 1.699 0.009 . 2 . . . . 154 R HB2 . 15939 1 35 . 1 1 6 6 ARG HB3 H 1 1.699 0.009 . 2 . . . . 154 R HB3 . 15939 1 36 . 1 1 6 6 ARG HD2 H 1 3.147 0.01 . 2 . . . . 154 R HD2 . 15939 1 37 . 1 1 6 6 ARG HD3 H 1 3.147 0.01 . 2 . . . . 154 R HD3 . 15939 1 38 . 1 1 6 6 ARG HG2 H 1 1.547 0.006 . 2 . . . . 154 R HG2 . 15939 1 39 . 1 1 6 6 ARG HG3 H 1 1.547 0.006 . 2 . . . . 154 R HG3 . 15939 1 40 . 1 1 6 6 ARG C C 13 175.714 0 . 1 . . . . 154 R C . 15939 1 41 . 1 1 6 6 ARG CA C 13 56.229 0 . 1 . . . . 154 R CA . 15939 1 42 . 1 1 6 6 ARG CB C 13 30.806 0 . 1 . . . . 154 R CB . 15939 1 43 . 1 1 6 6 ARG CD C 13 43.147 0 . 1 . . . . 154 R CD . 15939 1 44 . 1 1 6 6 ARG CG C 13 27.042 0 . 1 . . . . 154 R CG . 15939 1 45 . 1 1 6 6 ARG N N 15 121.833 0 . 1 . . . . 154 R N . 15939 1 46 . 1 1 7 7 ASN H H 1 8.041 0 . 1 . . . . 155 N H . 15939 1 47 . 1 1 7 7 ASN HA H 1 4.461 0.002 . 1 . . . . 155 N HA . 15939 1 48 . 1 1 7 7 ASN HB2 H 1 2.037 0.003 . 2 . . . . 155 N HB2 . 15939 1 49 . 1 1 7 7 ASN HB3 H 1 1.646 0.002 . 2 . . . . 155 N HB3 . 15939 1 50 . 1 1 7 7 ASN C C 13 175.212 0 . 1 . . . . 155 N C . 15939 1 51 . 1 1 7 7 ASN CA C 13 52.144 0 . 1 . . . . 155 N CA . 15939 1 52 . 1 1 7 7 ASN CB C 13 38.74 0 . 1 . . . . 155 N CB . 15939 1 53 . 1 1 7 7 ASN N N 15 118.715 0 . 1 . . . . 155 N N . 15939 1 54 . 1 1 8 8 ALA H H 1 8.212 0 . 1 . . . . 156 A H . 15939 1 55 . 1 1 8 8 ALA HA H 1 3.992 0 . 1 . . . . 156 A HA . 15939 1 56 . 1 1 8 8 ALA HB1 H 1 1.059 0.003 . 1 . . . . 156 A HB1 . 15939 1 57 . 1 1 8 8 ALA HB2 H 1 1.059 0.003 . 1 . . . . 156 A HB2 . 15939 1 58 . 1 1 8 8 ALA HB3 H 1 1.059 0.003 . 1 . . . . 156 A HB3 . 15939 1 59 . 1 1 8 8 ALA C C 13 177.338 0 . 1 . . . . 156 A C . 15939 1 60 . 1 1 8 8 ALA CA C 13 53.367 0 . 1 . . . . 156 A CA . 15939 1 61 . 1 1 8 8 ALA CB C 13 18.705 0 . 1 . . . . 156 A CB . 15939 1 62 . 1 1 8 8 ALA N N 15 123.615 0 . 1 . . . . 156 A N . 15939 1 63 . 1 1 9 9 TRP H H 1 7.219 0 . 1 . . . . 157 W H . 15939 1 64 . 1 1 9 9 TRP HA H 1 4.425 0.002 . 1 . . . . 157 W HA . 15939 1 65 . 1 1 9 9 TRP HB2 H 1 3.144 0.002 . 2 . . . . 157 W HB2 . 15939 1 66 . 1 1 9 9 TRP HB3 H 1 2.851 0.006 . 2 . . . . 157 W HB3 . 15939 1 67 . 1 1 9 9 TRP C C 13 175.965 0 . 1 . . . . 157 W C . 15939 1 68 . 1 1 9 9 TRP CA C 13 56.7 0 . 1 . . . . 157 W CA . 15939 1 69 . 1 1 9 9 TRP CB C 13 28.858 0 . 1 . . . . 157 W CB . 15939 1 70 . 1 1 9 9 TRP N N 15 114.907 0 . 1 . . . . 157 W N . 15939 1 71 . 1 1 10 10 GLY H H 1 7.651 0 . 1 . . . . 158 G H . 15939 1 72 . 1 1 10 10 GLY HA2 H 1 4.092 0.003 . 2 . . . . 158 G HA2 . 15939 1 73 . 1 1 10 10 GLY HA3 H 1 3.641 0.003 . 2 . . . . 158 G HA3 . 15939 1 74 . 1 1 10 10 GLY C C 13 173.537 0 . 1 . . . . 158 G C . 15939 1 75 . 1 1 10 10 GLY CA C 13 45.056 0.002 . 1 . . . . 158 G CA . 15939 1 76 . 1 1 10 10 GLY N N 15 109.764 0 . 1 . . . . 158 G N . 15939 1 77 . 1 1 11 11 ASN H H 1 8.392 0 . 1 . . . . 159 N H . 15939 1 78 . 1 1 11 11 ASN HA H 1 4.651 0.001 . 1 . . . . 159 N HA . 15939 1 79 . 1 1 11 11 ASN HB2 H 1 2.857 0.002 . 2 . . . . 159 N HB2 . 15939 1 80 . 1 1 11 11 ASN HB3 H 1 2.72 0.003 . 2 . . . . 159 N HB3 . 15939 1 81 . 1 1 11 11 ASN C C 13 174.827 0 . 1 . . . . 159 N C . 15939 1 82 . 1 1 11 11 ASN CA C 13 53.185 0 . 1 . . . . 159 N CA . 15939 1 83 . 1 1 11 11 ASN CB C 13 38.207 0.001 . 1 . . . . 159 N CB . 15939 1 84 . 1 1 11 11 ASN N N 15 118.617 0 . 1 . . . . 159 N N . 15939 1 85 . 1 1 12 12 LEU H H 1 7.666 0 . 1 . . . . 160 L H . 15939 1 86 . 1 1 12 12 LEU HA H 1 4.526 0.003 . 1 . . . . 160 L HA . 15939 1 87 . 1 1 12 12 LEU HB2 H 1 1.669 0.005 . 2 . . . . 160 L HB2 . 15939 1 88 . 1 1 12 12 LEU HB3 H 1 1.44 0.009 . 2 . . . . 160 L HB3 . 15939 1 89 . 1 1 12 12 LEU HD11 H 1 0.826 0.004 . 2 . . . . 160 L HD11 . 15939 1 90 . 1 1 12 12 LEU HD12 H 1 0.826 0.004 . 2 . . . . 160 L HD12 . 15939 1 91 . 1 1 12 12 LEU HD13 H 1 0.826 0.004 . 2 . . . . 160 L HD13 . 15939 1 92 . 1 1 12 12 LEU HD21 H 1 0.796 0.004 . 2 . . . . 160 L HD21 . 15939 1 93 . 1 1 12 12 LEU HD22 H 1 0.796 0.004 . 2 . . . . 160 L HD22 . 15939 1 94 . 1 1 12 12 LEU HD23 H 1 0.796 0.004 . 2 . . . . 160 L HD23 . 15939 1 95 . 1 1 12 12 LEU HG H 1 1.644 0.004 . 1 . . . . 160 L HG . 15939 1 96 . 1 1 12 12 LEU C C 13 176.45 0 . 1 . . . . 160 L C . 15939 1 97 . 1 1 12 12 LEU CA C 13 54.561 0 . 1 . . . . 160 L CA . 15939 1 98 . 1 1 12 12 LEU CB C 13 42.987 0.003 . 1 . . . . 160 L CB . 15939 1 99 . 1 1 12 12 LEU CD1 C 13 25.667 0 . 2 . . . . 160 L CD1 . 15939 1 100 . 1 1 12 12 LEU CD2 C 13 23.488 0 . 2 . . . . 160 L CD2 . 15939 1 101 . 1 1 12 12 LEU CG C 13 27.086 0 . 1 . . . . 160 L CG . 15939 1 102 . 1 1 12 12 LEU N N 15 120.826 0 . 1 . . . . 160 L N . 15939 1 103 . 1 1 13 13 SER H H 1 9.024 0 . 1 . . . . 161 S H . 15939 1 104 . 1 1 13 13 SER HA H 1 4.725 0.003 . 1 . . . . 161 S HA . 15939 1 105 . 1 1 13 13 SER HB2 H 1 4.344 0.002 . 2 . . . . 161 S HB2 . 15939 1 106 . 1 1 13 13 SER HB3 H 1 4.066 0.001 . 2 . . . . 161 S HB3 . 15939 1 107 . 1 1 13 13 SER C C 13 175.63 0 . 1 . . . . 161 S C . 15939 1 108 . 1 1 13 13 SER CA C 13 56.389 0 . 1 . . . . 161 S CA . 15939 1 109 . 1 1 13 13 SER CB C 13 64.594 0.006 . 1 . . . . 161 S CB . 15939 1 110 . 1 1 13 13 SER N N 15 118.443 0 . 1 . . . . 161 S N . 15939 1 111 . 1 1 14 14 TYR H H 1 8.87 0 . 1 . . . . 162 Y H . 15939 1 112 . 1 1 14 14 TYR HA H 1 4.197 0.002 . 1 . . . . 162 Y HA . 15939 1 113 . 1 1 14 14 TYR HB2 H 1 2.965 0 . 2 . . . . 162 Y HB2 . 15939 1 114 . 1 1 14 14 TYR HB3 H 1 2.719 0.006 . 2 . . . . 162 Y HB3 . 15939 1 115 . 1 1 14 14 TYR C C 13 178.141 0 . 1 . . . . 162 Y C . 15939 1 116 . 1 1 14 14 TYR CA C 13 63.127 0 . 1 . . . . 162 Y CA . 15939 1 117 . 1 1 14 14 TYR CB C 13 38.572 0.006 . 1 . . . . 162 Y CB . 15939 1 118 . 1 1 14 14 TYR N N 15 120.782 0 . 1 . . . . 162 Y N . 15939 1 119 . 1 1 15 15 ALA H H 1 8.696 0 . 1 . . . . 163 A H . 15939 1 120 . 1 1 15 15 ALA HA H 1 4.11 0.001 . 1 . . . . 163 A HA . 15939 1 121 . 1 1 15 15 ALA HB1 H 1 1.357 0 . 1 . . . . 163 A HB1 . 15939 1 122 . 1 1 15 15 ALA HB2 H 1 1.357 0 . 1 . . . . 163 A HB2 . 15939 1 123 . 1 1 15 15 ALA HB3 H 1 1.357 0 . 1 . . . . 163 A HB3 . 15939 1 124 . 1 1 15 15 ALA C C 13 180.2 0 . 1 . . . . 163 A C . 15939 1 125 . 1 1 15 15 ALA CA C 13 55.772 0 . 1 . . . . 163 A CA . 15939 1 126 . 1 1 15 15 ALA CB C 13 17.463 0 . 1 . . . . 163 A CB . 15939 1 127 . 1 1 15 15 ALA N N 15 119.463 0 . 1 . . . . 163 A N . 15939 1 128 . 1 1 16 16 ASP H H 1 8.103 0 . 1 . . . . 164 D H . 15939 1 129 . 1 1 16 16 ASP HA H 1 4.367 0.002 . 1 . . . . 164 D HA . 15939 1 130 . 1 1 16 16 ASP HB2 H 1 3.038 0.002 . 2 . . . . 164 D HB2 . 15939 1 131 . 1 1 16 16 ASP HB3 H 1 2.704 0.005 . 2 . . . . 164 D HB3 . 15939 1 132 . 1 1 16 16 ASP C C 13 178.694 0 . 1 . . . . 164 D C . 15939 1 133 . 1 1 16 16 ASP CA C 13 57.429 0 . 1 . . . . 164 D CA . 15939 1 134 . 1 1 16 16 ASP CB C 13 40.835 0.002 . 1 . . . . 164 D CB . 15939 1 135 . 1 1 16 16 ASP N N 15 120.706 0 . 1 . . . . 164 D N . 15939 1 136 . 1 1 17 17 LEU H H 1 8.135 0 . 1 . . . . 165 L H . 15939 1 137 . 1 1 17 17 LEU HA H 1 4.009 0.006 . 1 . . . . 165 L HA . 15939 1 138 . 1 1 17 17 LEU HB2 H 1 2.093 0.005 . 2 . . . . 165 L HB2 . 15939 1 139 . 1 1 17 17 LEU HB3 H 1 1.505 0.007 . 2 . . . . 165 L HB3 . 15939 1 140 . 1 1 17 17 LEU HD11 H 1 0.781 0.003 . 2 . . . . 165 L HD11 . 15939 1 141 . 1 1 17 17 LEU HD12 H 1 0.781 0.003 . 2 . . . . 165 L HD12 . 15939 1 142 . 1 1 17 17 LEU HD13 H 1 0.781 0.003 . 2 . . . . 165 L HD13 . 15939 1 143 . 1 1 17 17 LEU HD21 H 1 1.055 0.003 . 2 . . . . 165 L HD21 . 15939 1 144 . 1 1 17 17 LEU HD22 H 1 1.055 0.003 . 2 . . . . 165 L HD22 . 15939 1 145 . 1 1 17 17 LEU HD23 H 1 1.055 0.003 . 2 . . . . 165 L HD23 . 15939 1 146 . 1 1 17 17 LEU HG H 1 1.87 0.005 . 1 . . . . 165 L HG . 15939 1 147 . 1 1 17 17 LEU C C 13 177.472 0 . 1 . . . . 165 L C . 15939 1 148 . 1 1 17 17 LEU CA C 13 58.104 0 . 1 . . . . 165 L CA . 15939 1 149 . 1 1 17 17 LEU CB C 13 42.526 0.003 . 1 . . . . 165 L CB . 15939 1 150 . 1 1 17 17 LEU CD1 C 13 25.959 0 . 2 . . . . 165 L CD1 . 15939 1 151 . 1 1 17 17 LEU CD2 C 13 23.644 0 . 2 . . . . 165 L CD2 . 15939 1 152 . 1 1 17 17 LEU CG C 13 26.601 0 . 1 . . . . 165 L CG . 15939 1 153 . 1 1 17 17 LEU N N 15 121.701 0.026 . 1 . . . . 165 L N . 15939 1 154 . 1 1 18 18 ILE H H 1 8.463 0 . 1 . . . . 166 I H . 15939 1 155 . 1 1 18 18 ILE HA H 1 2.993 0.005 . 1 . . . . 166 I HA . 15939 1 156 . 1 1 18 18 ILE HB H 1 1.511 0.002 . 1 . . . . 166 I HB . 15939 1 157 . 1 1 18 18 ILE HD11 H 1 0.506 0.004 . 1 . . . . 166 I HD11 . 15939 1 158 . 1 1 18 18 ILE HD12 H 1 0.506 0.004 . 1 . . . . 166 I HD12 . 15939 1 159 . 1 1 18 18 ILE HD13 H 1 0.506 0.004 . 1 . . . . 166 I HD13 . 15939 1 160 . 1 1 18 18 ILE HG12 H 1 0.395 0.006 . 2 . . . . 166 I HG12 . 15939 1 161 . 1 1 18 18 ILE HG13 H 1 0.395 0.006 . 2 . . . . 166 I HG13 . 15939 1 162 . 1 1 18 18 ILE HG21 H 1 0.012 0.005 . 1 . . . . 166 I HG21 . 15939 1 163 . 1 1 18 18 ILE HG22 H 1 0.012 0.005 . 1 . . . . 166 I HG22 . 15939 1 164 . 1 1 18 18 ILE HG23 H 1 0.012 0.005 . 1 . . . . 166 I HG23 . 15939 1 165 . 1 1 18 18 ILE C C 13 177.17 0 . 1 . . . . 166 I C . 15939 1 166 . 1 1 18 18 ILE CA C 13 65.409 0 . 1 . . . . 166 I CA . 15939 1 167 . 1 1 18 18 ILE CB C 13 37.989 0 . 1 . . . . 166 I CB . 15939 1 168 . 1 1 18 18 ILE CD1 C 13 15.216 0 . 1 . . . . 166 I CD1 . 15939 1 169 . 1 1 18 18 ILE CG1 C 13 29.613 0 . 1 . . . . 166 I CG1 . 15939 1 170 . 1 1 18 18 ILE CG2 C 13 18.912 0 . 1 . . . . 166 I CG2 . 15939 1 171 . 1 1 18 18 ILE N N 15 118.458 0 . 1 . . . . 166 I N . 15939 1 172 . 1 1 19 19 THR H H 1 7.886 0 . 1 . . . . 167 T H . 15939 1 173 . 1 1 19 19 THR HA H 1 4.42 0.003 . 1 . . . . 167 T HA . 15939 1 174 . 1 1 19 19 THR HB H 1 3.746 0.002 . 1 . . . . 167 T HB . 15939 1 175 . 1 1 19 19 THR HG21 H 1 1.206 0.001 . 1 . . . . 167 T HG21 . 15939 1 176 . 1 1 19 19 THR HG22 H 1 1.206 0.001 . 1 . . . . 167 T HG22 . 15939 1 177 . 1 1 19 19 THR HG23 H 1 1.206 0.001 . 1 . . . . 167 T HG23 . 15939 1 178 . 1 1 19 19 THR C C 13 174.827 0 . 1 . . . . 167 T C . 15939 1 179 . 1 1 19 19 THR CA C 13 68.536 0 . 1 . . . . 167 T CA . 15939 1 180 . 1 1 19 19 THR CB C 13 67.882 0 . 1 . . . . 167 T CB . 15939 1 181 . 1 1 19 19 THR CG2 C 13 20.868 0 . 1 . . . . 167 T CG2 . 15939 1 182 . 1 1 19 19 THR N N 15 115.122 0 . 1 . . . . 167 T N . 15939 1 183 . 1 1 20 20 ARG H H 1 7.611 0 . 1 . . . . 168 R H . 15939 1 184 . 1 1 20 20 ARG HA H 1 3.87 0.002 . 1 . . . . 168 R HA . 15939 1 185 . 1 1 20 20 ARG HB2 H 1 1.84 0.011 . 2 . . . . 168 R HB2 . 15939 1 186 . 1 1 20 20 ARG HB3 H 1 1.84 0.011 . 2 . . . . 168 R HB3 . 15939 1 187 . 1 1 20 20 ARG HD2 H 1 3.287 0.004 . 2 . . . . 168 R HD2 . 15939 1 188 . 1 1 20 20 ARG HD3 H 1 3.236 0.007 . 2 . . . . 168 R HD3 . 15939 1 189 . 1 1 20 20 ARG HG2 H 1 1.833 0.004 . 2 . . . . 168 R HG2 . 15939 1 190 . 1 1 20 20 ARG HG3 H 1 1.756 0.004 . 2 . . . . 168 R HG3 . 15939 1 191 . 1 1 20 20 ARG C C 13 178.359 0 . 1 . . . . 168 R C . 15939 1 192 . 1 1 20 20 ARG CA C 13 58.728 0 . 1 . . . . 168 R CA . 15939 1 193 . 1 1 20 20 ARG CB C 13 30.053 0 . 1 . . . . 168 R CB . 15939 1 194 . 1 1 20 20 ARG CD C 13 43.56 0.004 . 1 . . . . 168 R CD . 15939 1 195 . 1 1 20 20 ARG CG C 13 27.514 0.001 . 1 . . . . 168 R CG . 15939 1 196 . 1 1 20 20 ARG N N 15 120.074 0.012 . 1 . . . . 168 R N . 15939 1 197 . 1 1 21 21 ALA H H 1 7.466 0 . 1 . . . . 169 A H . 15939 1 198 . 1 1 21 21 ALA HA H 1 1.891 0.002 . 1 . . . . 169 A HA . 15939 1 199 . 1 1 21 21 ALA HB1 H 1 0.519 0.003 . 1 . . . . 169 A HB1 . 15939 1 200 . 1 1 21 21 ALA HB2 H 1 0.519 0.003 . 1 . . . . 169 A HB2 . 15939 1 201 . 1 1 21 21 ALA HB3 H 1 0.519 0.003 . 1 . . . . 169 A HB3 . 15939 1 202 . 1 1 21 21 ALA C C 13 179.547 0 . 1 . . . . 169 A C . 15939 1 203 . 1 1 21 21 ALA CA C 13 54.359 0 . 1 . . . . 169 A CA . 15939 1 204 . 1 1 21 21 ALA CB C 13 16.966 0 . 1 . . . . 169 A CB . 15939 1 205 . 1 1 21 21 ALA N N 15 123.26 0 . 1 . . . . 169 A N . 15939 1 206 . 1 1 22 22 ILE H H 1 8.01 0 . 1 . . . . 170 I H . 15939 1 207 . 1 1 22 22 ILE HA H 1 3.195 0.003 . 1 . . . . 170 I HA . 15939 1 208 . 1 1 22 22 ILE HB H 1 1.669 0.012 . 1 . . . . 170 I HB . 15939 1 209 . 1 1 22 22 ILE HD11 H 1 0.634 0.005 . 1 . . . . 170 I HD11 . 15939 1 210 . 1 1 22 22 ILE HD12 H 1 0.634 0.005 . 1 . . . . 170 I HD12 . 15939 1 211 . 1 1 22 22 ILE HD13 H 1 0.634 0.005 . 1 . . . . 170 I HD13 . 15939 1 212 . 1 1 22 22 ILE HG12 H 1 0.644 0.005 . 2 . . . . 170 I HG12 . 15939 1 213 . 1 1 22 22 ILE HG13 H 1 0.644 0.005 . 2 . . . . 170 I HG13 . 15939 1 214 . 1 1 22 22 ILE HG21 H 1 0.815 0.002 . 1 . . . . 170 I HG21 . 15939 1 215 . 1 1 22 22 ILE HG22 H 1 0.815 0.002 . 1 . . . . 170 I HG22 . 15939 1 216 . 1 1 22 22 ILE HG23 H 1 0.815 0.002 . 1 . . . . 170 I HG23 . 15939 1 217 . 1 1 22 22 ILE C C 13 179.414 0 . 1 . . . . 170 I C . 15939 1 218 . 1 1 22 22 ILE CA C 13 66.175 0 . 1 . . . . 170 I CA . 15939 1 219 . 1 1 22 22 ILE CB C 13 38.498 0 . 1 . . . . 170 I CB . 15939 1 220 . 1 1 22 22 ILE CD1 C 13 14.294 0 . 1 . . . . 170 I CD1 . 15939 1 221 . 1 1 22 22 ILE CG1 C 13 29.939 0 . 1 . . . . 170 I CG1 . 15939 1 222 . 1 1 22 22 ILE CG2 C 13 18.204 0 . 1 . . . . 170 I CG2 . 15939 1 223 . 1 1 22 22 ILE N N 15 118.102 0 . 1 . . . . 170 I N . 15939 1 224 . 1 1 23 23 GLU H H 1 8.742 0 . 1 . . . . 171 E H . 15939 1 225 . 1 1 23 23 GLU HA H 1 3.939 0.001 . 1 . . . . 171 E HA . 15939 1 226 . 1 1 23 23 GLU HB2 H 1 2.079 0.006 . 2 . . . . 171 E HB2 . 15939 1 227 . 1 1 23 23 GLU HB3 H 1 1.963 0.004 . 2 . . . . 171 E HB3 . 15939 1 228 . 1 1 23 23 GLU HG2 H 1 2.428 0.005 . 2 . . . . 171 E HG2 . 15939 1 229 . 1 1 23 23 GLU HG3 H 1 2.204 0.011 . 2 . . . . 171 E HG3 . 15939 1 230 . 1 1 23 23 GLU C C 13 177.237 0 . 1 . . . . 171 E C . 15939 1 231 . 1 1 23 23 GLU CA C 13 58.902 0 . 1 . . . . 171 E CA . 15939 1 232 . 1 1 23 23 GLU CB C 13 29.431 0 . 1 . . . . 171 E CB . 15939 1 233 . 1 1 23 23 GLU CG C 13 37.122 0.004 . 1 . . . . 171 E CG . 15939 1 234 . 1 1 23 23 GLU N N 15 118.005 0 . 1 . . . . 171 E N . 15939 1 235 . 1 1 24 24 SER H H 1 7.489 0 . 1 . . . . 172 S H . 15939 1 236 . 1 1 24 24 SER HA H 1 4.412 0.003 . 1 . . . . 172 S HA . 15939 1 237 . 1 1 24 24 SER HB2 H 1 4.102 0.004 . 2 . . . . 172 S HB2 . 15939 1 238 . 1 1 24 24 SER HB3 H 1 4.102 0.004 . 2 . . . . 172 S HB3 . 15939 1 239 . 1 1 24 24 SER C C 13 174.241 0 . 1 . . . . 172 S C . 15939 1 240 . 1 1 24 24 SER CA C 13 59.347 0 . 1 . . . . 172 S CA . 15939 1 241 . 1 1 24 24 SER CB C 13 63.554 0 . 1 . . . . 172 S CB . 15939 1 242 . 1 1 24 24 SER N N 15 112.188 0 . 1 . . . . 172 S N . 15939 1 243 . 1 1 25 25 SER H H 1 7.533 0 . 1 . . . . 173 S H . 15939 1 244 . 1 1 25 25 SER HA H 1 4.849 0.002 . 1 . . . . 173 S HA . 15939 1 245 . 1 1 25 25 SER HB2 H 1 4.222 0.002 . 2 . . . . 173 S HB2 . 15939 1 246 . 1 1 25 25 SER HB3 H 1 4.011 0.002 . 2 . . . . 173 S HB3 . 15939 1 247 . 1 1 25 25 SER CA C 13 56.198 0 . 1 . . . . 173 S CA . 15939 1 248 . 1 1 25 25 SER CB C 13 63.729 0 . 1 . . . . 173 S CB . 15939 1 249 . 1 1 25 25 SER N N 15 120.083 0 . 1 . . . . 173 S N . 15939 1 250 . 1 1 26 26 PRO HA H 1 4.353 0.007 . 1 . . . . 174 P HA . 15939 1 251 . 1 1 26 26 PRO HB2 H 1 2.4 0.005 . 2 . . . . 174 P HB2 . 15939 1 252 . 1 1 26 26 PRO HB3 H 1 1.944 0.002 . 2 . . . . 174 P HB3 . 15939 1 253 . 1 1 26 26 PRO HD2 H 1 4.004 0.002 . 2 . . . . 174 P HD2 . 15939 1 254 . 1 1 26 26 PRO HD3 H 1 4.004 0.002 . 2 . . . . 174 P HD3 . 15939 1 255 . 1 1 26 26 PRO HG2 H 1 2.147 0.003 . 2 . . . . 174 P HG2 . 15939 1 256 . 1 1 26 26 PRO HG3 H 1 2.147 0.003 . 2 . . . . 174 P HG3 . 15939 1 257 . 1 1 26 26 PRO C C 13 177.572 0 . 1 . . . . 174 P C . 15939 1 258 . 1 1 26 26 PRO CA C 13 65.247 0 . 1 . . . . 174 P CA . 15939 1 259 . 1 1 26 26 PRO CB C 13 31.934 0.002 . 1 . . . . 174 P CB . 15939 1 260 . 1 1 26 26 PRO CD C 13 50.565 0 . 1 . . . . 174 P CD . 15939 1 261 . 1 1 26 26 PRO CG C 13 27.743 0 . 1 . . . . 174 P CG . 15939 1 262 . 1 1 27 27 ASP H H 1 8.221 0 . 1 . . . . 175 D H . 15939 1 263 . 1 1 27 27 ASP HA H 1 4.754 0.002 . 1 . . . . 175 D HA . 15939 1 264 . 1 1 27 27 ASP HB2 H 1 2.598 0.011 . 2 . . . . 175 D HB2 . 15939 1 265 . 1 1 27 27 ASP HB3 H 1 2.403 0.003 . 2 . . . . 175 D HB3 . 15939 1 266 . 1 1 27 27 ASP C C 13 174.709 0 . 1 . . . . 175 D C . 15939 1 267 . 1 1 27 27 ASP CA C 13 53.257 0 . 1 . . . . 175 D CA . 15939 1 268 . 1 1 27 27 ASP CB C 13 41.092 0 . 1 . . . . 175 D CB . 15939 1 269 . 1 1 27 27 ASP N N 15 113.724 0 . 1 . . . . 175 D N . 15939 1 270 . 1 1 28 28 LYS H H 1 7.916 0 . 1 . . . . 176 K H . 15939 1 271 . 1 1 28 28 LYS HA H 1 3.99 0.003 . 1 . . . . 176 K HA . 15939 1 272 . 1 1 28 28 LYS HB2 H 1 2.097 0.002 . 2 . . . . 176 K HB2 . 15939 1 273 . 1 1 28 28 LYS HD2 H 1 1.883 0.003 . 2 . . . . 176 K HD2 . 15939 1 274 . 1 1 28 28 LYS HD3 H 1 1.883 0.003 . 2 . . . . 176 K HD3 . 15939 1 275 . 1 1 28 28 LYS HE2 H 1 3.104 0.003 . 2 . . . . 176 K HE2 . 15939 1 276 . 1 1 28 28 LYS HE3 H 1 3.021 0.008 . 2 . . . . 176 K HE3 . 15939 1 277 . 1 1 28 28 LYS HG2 H 1 1.462 0.006 . 2 . . . . 176 K HG2 . 15939 1 278 . 1 1 28 28 LYS HG3 H 1 1.255 0.003 . 2 . . . . 176 K HG3 . 15939 1 279 . 1 1 28 28 LYS C C 13 174.626 0 . 1 . . . . 176 K C . 15939 1 280 . 1 1 28 28 LYS CA C 13 55.376 0 . 1 . . . . 176 K CA . 15939 1 281 . 1 1 28 28 LYS CB C 13 28.554 0 . 1 . . . . 176 K CB . 15939 1 282 . 1 1 28 28 LYS CD C 13 28.42 0 . 1 . . . . 176 K CD . 15939 1 283 . 1 1 28 28 LYS CE C 13 42.551 0.002 . 1 . . . . 176 K CE . 15939 1 284 . 1 1 28 28 LYS CG C 13 24.844 0.001 . 1 . . . . 176 K CG . 15939 1 285 . 1 1 28 28 LYS N N 15 115.928 0 . 1 . . . . 176 K N . 15939 1 286 . 1 1 29 29 ARG H H 1 7.327 0 . 1 . . . . 177 R H . 15939 1 287 . 1 1 29 29 ARG HA H 1 5.224 0.005 . 1 . . . . 177 R HA . 15939 1 288 . 1 1 29 29 ARG HB2 H 1 1.678 0.013 . 2 . . . . 177 R HB2 . 15939 1 289 . 1 1 29 29 ARG HB3 H 1 1.214 0.005 . 2 . . . . 177 R HB3 . 15939 1 290 . 1 1 29 29 ARG HD2 H 1 2.11 0.004 . 2 . . . . 177 R HD2 . 15939 1 291 . 1 1 29 29 ARG HD3 H 1 2.11 0.004 . 2 . . . . 177 R HD3 . 15939 1 292 . 1 1 29 29 ARG HG2 H 1 1.096 0.005 . 2 . . . . 177 R HG2 . 15939 1 293 . 1 1 29 29 ARG HG3 H 1 0.676 0.006 . 2 . . . . 177 R HG3 . 15939 1 294 . 1 1 29 29 ARG C C 13 173.722 0 . 1 . . . . 177 R C . 15939 1 295 . 1 1 29 29 ARG CA C 13 54.221 0 . 1 . . . . 177 R CA . 15939 1 296 . 1 1 29 29 ARG CB C 13 32.216 0.006 . 1 . . . . 177 R CB . 15939 1 297 . 1 1 29 29 ARG CD C 13 42.928 0 . 1 . . . . 177 R CD . 15939 1 298 . 1 1 29 29 ARG CG C 13 24.346 0.007 . 1 . . . . 177 R CG . 15939 1 299 . 1 1 29 29 ARG N N 15 112.633 0 . 1 . . . . 177 R N . 15939 1 300 . 1 1 30 30 LEU H H 1 8.561 0 . 1 . . . . 178 L H . 15939 1 301 . 1 1 30 30 LEU HA H 1 5.336 0.003 . 1 . . . . 178 L HA . 15939 1 302 . 1 1 30 30 LEU HB2 H 1 1.893 0.006 . 2 . . . . 178 L HB2 . 15939 1 303 . 1 1 30 30 LEU HB3 H 1 1.47 0.009 . 2 . . . . 178 L HB3 . 15939 1 304 . 1 1 30 30 LEU HD11 H 1 0.51 0.007 . 2 . . . . 178 L HD11 . 15939 1 305 . 1 1 30 30 LEU HD12 H 1 0.51 0.007 . 2 . . . . 178 L HD12 . 15939 1 306 . 1 1 30 30 LEU HD13 H 1 0.51 0.007 . 2 . . . . 178 L HD13 . 15939 1 307 . 1 1 30 30 LEU HD21 H 1 0.435 0.009 . 2 . . . . 178 L HD21 . 15939 1 308 . 1 1 30 30 LEU HD22 H 1 0.435 0.009 . 2 . . . . 178 L HD22 . 15939 1 309 . 1 1 30 30 LEU HD23 H 1 0.435 0.009 . 2 . . . . 178 L HD23 . 15939 1 310 . 1 1 30 30 LEU HG H 1 1.173 0.003 . 1 . . . . 178 L HG . 15939 1 311 . 1 1 30 30 LEU C C 13 177.17 0 . 1 . . . . 178 L C . 15939 1 312 . 1 1 30 30 LEU CA C 13 53.918 0 . 1 . . . . 178 L CA . 15939 1 313 . 1 1 30 30 LEU CB C 13 49.527 0 . 1 . . . . 178 L CB . 15939 1 314 . 1 1 30 30 LEU CD1 C 13 27.145 0 . 2 . . . . 178 L CD1 . 15939 1 315 . 1 1 30 30 LEU CD2 C 13 23.66 0 . 2 . . . . 178 L CD2 . 15939 1 316 . 1 1 30 30 LEU CG C 13 23.665 0 . 1 . . . . 178 L CG . 15939 1 317 . 1 1 30 30 LEU N N 15 119.812 0 . 1 . . . . 178 L N . 15939 1 318 . 1 1 31 31 THR H H 1 8.922 0 . 1 . . . . 179 T H . 15939 1 319 . 1 1 31 31 THR HA H 1 5.006 0.001 . 1 . . . . 179 T HA . 15939 1 320 . 1 1 31 31 THR HB H 1 4.626 0.004 . 1 . . . . 179 T HB . 15939 1 321 . 1 1 31 31 THR HG21 H 1 0.806 0.002 . 1 . . . . 179 T HG21 . 15939 1 322 . 1 1 31 31 THR HG22 H 1 0.806 0.002 . 1 . . . . 179 T HG22 . 15939 1 323 . 1 1 31 31 THR HG23 H 1 0.806 0.002 . 1 . . . . 179 T HG23 . 15939 1 324 . 1 1 31 31 THR C C 13 175.429 0 . 1 . . . . 179 T C . 15939 1 325 . 1 1 31 31 THR CA C 13 60.322 0 . 1 . . . . 179 T CA . 15939 1 326 . 1 1 31 31 THR CB C 13 70.76 0 . 1 . . . . 179 T CB . 15939 1 327 . 1 1 31 31 THR CG2 C 13 21.337 0 . 1 . . . . 179 T CG2 . 15939 1 328 . 1 1 31 31 THR N N 15 112.415 0 . 1 . . . . 179 T N . 15939 1 329 . 1 1 32 32 LEU H H 1 9.382 0 . 1 . . . . 180 L H . 15939 1 330 . 1 1 32 32 LEU HA H 1 3.708 0.003 . 1 . . . . 180 L HA . 15939 1 331 . 1 1 32 32 LEU HB2 H 1 1.758 0.007 . 2 . . . . 180 L HB2 . 15939 1 332 . 1 1 32 32 LEU HB3 H 1 1.509 0.005 . 2 . . . . 180 L HB3 . 15939 1 333 . 1 1 32 32 LEU HD11 H 1 0.83 0.003 . 2 . . . . 180 L HD11 . 15939 1 334 . 1 1 32 32 LEU HD12 H 1 0.83 0.003 . 2 . . . . 180 L HD12 . 15939 1 335 . 1 1 32 32 LEU HD13 H 1 0.83 0.003 . 2 . . . . 180 L HD13 . 15939 1 336 . 1 1 32 32 LEU HD21 H 1 0.433 0.005 . 2 . . . . 180 L HD21 . 15939 1 337 . 1 1 32 32 LEU HD22 H 1 0.433 0.005 . 2 . . . . 180 L HD22 . 15939 1 338 . 1 1 32 32 LEU HD23 H 1 0.433 0.005 . 2 . . . . 180 L HD23 . 15939 1 339 . 1 1 32 32 LEU HG H 1 0.94 0.005 . 1 . . . . 180 L HG . 15939 1 340 . 1 1 32 32 LEU C C 13 177.924 0 . 1 . . . . 180 L C . 15939 1 341 . 1 1 32 32 LEU CA C 13 58.501 0 . 1 . . . . 180 L CA . 15939 1 342 . 1 1 32 32 LEU CB C 13 41.593 0.001 . 1 . . . . 180 L CB . 15939 1 343 . 1 1 32 32 LEU CD1 C 13 25.629 0 . 2 . . . . 180 L CD1 . 15939 1 344 . 1 1 32 32 LEU CD2 C 13 23.561 0 . 2 . . . . 180 L CD2 . 15939 1 345 . 1 1 32 32 LEU CG C 13 26.627 0 . 1 . . . . 180 L CG . 15939 1 346 . 1 1 32 32 LEU N N 15 121.953 0 . 1 . . . . 180 L N . 15939 1 347 . 1 1 33 33 SER H H 1 8.4 0 . 1 . . . . 181 S H . 15939 1 348 . 1 1 33 33 SER HA H 1 3.978 0.001 . 1 . . . . 181 S HA . 15939 1 349 . 1 1 33 33 SER HB2 H 1 3.887 0.003 . 2 . . . . 181 S HB2 . 15939 1 350 . 1 1 33 33 SER HB3 H 1 3.887 0.003 . 2 . . . . 181 S HB3 . 15939 1 351 . 1 1 33 33 SER C C 13 177.338 0 . 1 . . . . 181 S C . 15939 1 352 . 1 1 33 33 SER CA C 13 62.597 0 . 1 . . . . 181 S CA . 15939 1 353 . 1 1 33 33 SER CB C 13 62.128 0 . 1 . . . . 181 S CB . 15939 1 354 . 1 1 33 33 SER N N 15 111.226 0 . 1 . . . . 181 S N . 15939 1 355 . 1 1 34 34 GLN H H 1 7.635 0 . 1 . . . . 182 Q H . 15939 1 356 . 1 1 34 34 GLN HA H 1 4.238 0.002 . 1 . . . . 182 Q HA . 15939 1 357 . 1 1 34 34 GLN HB2 H 1 2.194 0.003 . 2 . . . . 182 Q HB2 . 15939 1 358 . 1 1 34 34 GLN HB3 H 1 2.194 0.003 . 2 . . . . 182 Q HB3 . 15939 1 359 . 1 1 34 34 GLN HG2 H 1 2.615 0.002 . 2 . . . . 182 Q HG2 . 15939 1 360 . 1 1 34 34 GLN HG3 H 1 2.615 0.002 . 2 . . . . 182 Q HG3 . 15939 1 361 . 1 1 34 34 GLN C C 13 179.966 0 . 1 . . . . 182 Q C . 15939 1 362 . 1 1 34 34 GLN CA C 13 58.452 0 . 1 . . . . 182 Q CA . 15939 1 363 . 1 1 34 34 GLN CB C 13 34.86 0 . 1 . . . . 182 Q CB . 15939 1 364 . 1 1 34 34 GLN CG C 13 30.308 0 . 1 . . . . 182 Q CG . 15939 1 365 . 1 1 34 34 GLN N N 15 120.083 0 . 1 . . . . 182 Q N . 15939 1 366 . 1 1 35 35 ILE H H 1 8.381 0 . 1 . . . . 183 I H . 15939 1 367 . 1 1 35 35 ILE HA H 1 3.573 0.002 . 1 . . . . 183 I HA . 15939 1 368 . 1 1 35 35 ILE HB H 1 1.987 0.007 . 1 . . . . 183 I HB . 15939 1 369 . 1 1 35 35 ILE HD11 H 1 0.438 0 . 1 . . . . 183 I HD11 . 15939 1 370 . 1 1 35 35 ILE HD12 H 1 0.438 0 . 1 . . . . 183 I HD12 . 15939 1 371 . 1 1 35 35 ILE HD13 H 1 0.438 0 . 1 . . . . 183 I HD13 . 15939 1 372 . 1 1 35 35 ILE HG12 H 1 0.445 0.003 . 2 . . . . 183 I HG12 . 15939 1 373 . 1 1 35 35 ILE HG13 H 1 0.445 0.003 . 2 . . . . 183 I HG13 . 15939 1 374 . 1 1 35 35 ILE HG21 H 1 0.717 0.002 . 1 . . . . 183 I HG21 . 15939 1 375 . 1 1 35 35 ILE HG22 H 1 0.717 0.002 . 1 . . . . 183 I HG22 . 15939 1 376 . 1 1 35 35 ILE HG23 H 1 0.717 0.002 . 1 . . . . 183 I HG23 . 15939 1 377 . 1 1 35 35 ILE C C 13 177.723 0 . 1 . . . . 183 I C . 15939 1 378 . 1 1 35 35 ILE CA C 13 66.521 0 . 1 . . . . 183 I CA . 15939 1 379 . 1 1 35 35 ILE CB C 13 37.59 0 . 1 . . . . 183 I CB . 15939 1 380 . 1 1 35 35 ILE CD1 C 13 13.86 0 . 1 . . . . 183 I CD1 . 15939 1 381 . 1 1 35 35 ILE CG1 C 13 30.939 0 . 1 . . . . 183 I CG1 . 15939 1 382 . 1 1 35 35 ILE CG2 C 13 18.55 0 . 1 . . . . 183 I CG2 . 15939 1 383 . 1 1 35 35 ILE N N 15 124.427 0 . 1 . . . . 183 I N . 15939 1 384 . 1 1 36 36 TYR H H 1 8.148 0 . 1 . . . . 184 Y H . 15939 1 385 . 1 1 36 36 TYR HA H 1 4.543 0.002 . 1 . . . . 184 Y HA . 15939 1 386 . 1 1 36 36 TYR HB2 H 1 3.443 0.002 . 2 . . . . 184 Y HB2 . 15939 1 387 . 1 1 36 36 TYR HB3 H 1 3.292 0 . 2 . . . . 184 Y HB3 . 15939 1 388 . 1 1 36 36 TYR C C 13 178.124 0 . 1 . . . . 184 Y C . 15939 1 389 . 1 1 36 36 TYR CA C 13 59.3 0 . 1 . . . . 184 Y CA . 15939 1 390 . 1 1 36 36 TYR CB C 13 36.735 0 . 1 . . . . 184 Y CB . 15939 1 391 . 1 1 36 36 TYR N N 15 118.207 0 . 1 . . . . 184 Y N . 15939 1 392 . 1 1 37 37 GLU H H 1 8.201 0 . 1 . . . . 185 E H . 15939 1 393 . 1 1 37 37 GLU HA H 1 4.007 0.002 . 1 . . . . 185 E HA . 15939 1 394 . 1 1 37 37 GLU HB2 H 1 2.601 0.002 . 2 . . . . 185 E HB2 . 15939 1 395 . 1 1 37 37 GLU HB3 H 1 2.366 0.003 . 2 . . . . 185 E HB3 . 15939 1 396 . 1 1 37 37 GLU HG2 H 1 2.205 0.003 . 2 . . . . 185 E HG2 . 15939 1 397 . 1 1 37 37 GLU HG3 H 1 2.205 0.003 . 2 . . . . 185 E HG3 . 15939 1 398 . 1 1 37 37 GLU C C 13 178.476 0 . 1 . . . . 185 E C . 15939 1 399 . 1 1 37 37 GLU CA C 13 59.447 0 . 1 . . . . 185 E CA . 15939 1 400 . 1 1 37 37 GLU CB C 13 36.577 0.003 . 1 . . . . 185 E CB . 15939 1 401 . 1 1 37 37 GLU CG C 13 29.695 0 . 1 . . . . 185 E CG . 15939 1 402 . 1 1 37 37 GLU N N 15 117.403 0.012 . 1 . . . . 185 E N . 15939 1 403 . 1 1 38 38 TRP H H 1 8.196 0 . 1 . . . . 186 W H . 15939 1 404 . 1 1 38 38 TRP HA H 1 4.441 0 . 1 . . . . 186 W HA . 15939 1 405 . 1 1 38 38 TRP HB2 H 1 3.569 0 . 2 . . . . 186 W HB2 . 15939 1 406 . 1 1 38 38 TRP HB3 H 1 3.306 0 . 2 . . . . 186 W HB3 . 15939 1 407 . 1 1 38 38 TRP C C 13 178.041 0 . 1 . . . . 186 W C . 15939 1 408 . 1 1 38 38 TRP CA C 13 62.779 0 . 1 . . . . 186 W CA . 15939 1 409 . 1 1 38 38 TRP CB C 13 29.284 0 . 1 . . . . 186 W CB . 15939 1 410 . 1 1 38 38 TRP N N 15 121.151 0 . 1 . . . . 186 W N . 15939 1 411 . 1 1 39 39 MET H H 1 8.217 0 . 1 . . . . 187 M H . 15939 1 412 . 1 1 39 39 MET HA H 1 3.982 0.004 . 1 . . . . 187 M HA . 15939 1 413 . 1 1 39 39 MET HB2 H 1 2.352 0.002 . 2 . . . . 187 M HB2 . 15939 1 414 . 1 1 39 39 MET HB3 H 1 2.352 0.002 . 2 . . . . 187 M HB3 . 15939 1 415 . 1 1 39 39 MET HE1 H 1 1.602 0.002 . 1 . . . . 187 M HE1 . 15939 1 416 . 1 1 39 39 MET HE2 H 1 1.602 0.002 . 1 . . . . 187 M HE2 . 15939 1 417 . 1 1 39 39 MET HE3 H 1 1.602 0.002 . 1 . . . . 187 M HE3 . 15939 1 418 . 1 1 39 39 MET HG2 H 1 2.894 0.001 . 2 . . . . 187 M HG2 . 15939 1 419 . 1 1 39 39 MET HG3 H 1 2.786 0.003 . 2 . . . . 187 M HG3 . 15939 1 420 . 1 1 39 39 MET C C 13 177.338 0 . 1 . . . . 187 M C . 15939 1 421 . 1 1 39 39 MET CA C 13 58.022 0 . 1 . . . . 187 M CA . 15939 1 422 . 1 1 39 39 MET CB C 13 31.648 0 . 1 . . . . 187 M CB . 15939 1 423 . 1 1 39 39 MET CE C 13 18.598 0 . 1 . . . . 187 M CE . 15939 1 424 . 1 1 39 39 MET CG C 13 33.606 0 . 1 . . . . 187 M CG . 15939 1 425 . 1 1 39 39 MET N N 15 117.026 0 . 1 . . . . 187 M N . 15939 1 426 . 1 1 40 40 VAL H H 1 7.403 0 . 1 . . . . 188 V H . 15939 1 427 . 1 1 40 40 VAL HA H 1 3.389 0.004 . 1 . . . . 188 V HA . 15939 1 428 . 1 1 40 40 VAL HB H 1 2.038 0.003 . 1 . . . . 188 V HB . 15939 1 429 . 1 1 40 40 VAL HG11 H 1 1.098 0.004 . 2 . . . . 188 V HG11 . 15939 1 430 . 1 1 40 40 VAL HG12 H 1 1.098 0.004 . 2 . . . . 188 V HG12 . 15939 1 431 . 1 1 40 40 VAL HG13 H 1 1.098 0.004 . 2 . . . . 188 V HG13 . 15939 1 432 . 1 1 40 40 VAL HG21 H 1 0.982 0.004 . 2 . . . . 188 V HG21 . 15939 1 433 . 1 1 40 40 VAL HG22 H 1 0.982 0.004 . 2 . . . . 188 V HG22 . 15939 1 434 . 1 1 40 40 VAL HG23 H 1 0.982 0.004 . 2 . . . . 188 V HG23 . 15939 1 435 . 1 1 40 40 VAL C C 13 177.405 0 . 1 . . . . 188 V C . 15939 1 436 . 1 1 40 40 VAL CA C 13 64.699 0 . 1 . . . . 188 V CA . 15939 1 437 . 1 1 40 40 VAL CB C 13 32.169 0 . 1 . . . . 188 V CB . 15939 1 438 . 1 1 40 40 VAL CG1 C 13 22.665 0 . 2 . . . . 188 V CG1 . 15939 1 439 . 1 1 40 40 VAL CG2 C 13 21.51 0 . 2 . . . . 188 V CG2 . 15939 1 440 . 1 1 40 40 VAL N N 15 114.539 0 . 1 . . . . 188 V N . 15939 1 441 . 1 1 41 41 ARG H H 1 7.689 0 . 1 . . . . 189 R H . 15939 1 442 . 1 1 41 41 ARG HA H 1 4.067 0.002 . 1 . . . . 189 R HA . 15939 1 443 . 1 1 41 41 ARG HB2 H 1 1.794 0.008 . 2 . . . . 189 R HB2 . 15939 1 444 . 1 1 41 41 ARG HB3 H 1 1.794 0.008 . 2 . . . . 189 R HB3 . 15939 1 445 . 1 1 41 41 ARG HD2 H 1 3.199 0.005 . 2 . . . . 189 R HD2 . 15939 1 446 . 1 1 41 41 ARG HD3 H 1 3.135 0.006 . 2 . . . . 189 R HD3 . 15939 1 447 . 1 1 41 41 ARG HG2 H 1 1.612 0.003 . 2 . . . . 189 R HG2 . 15939 1 448 . 1 1 41 41 ARG HG3 H 1 1.612 0.003 . 2 . . . . 189 R HG3 . 15939 1 449 . 1 1 41 41 ARG C C 13 179.029 0 . 1 . . . . 189 R C . 15939 1 450 . 1 1 41 41 ARG CA C 13 58.383 0 . 1 . . . . 189 R CA . 15939 1 451 . 1 1 41 41 ARG CB C 13 31.695 0 . 1 . . . . 189 R CB . 15939 1 452 . 1 1 41 41 ARG CD C 13 43.477 0 . 1 . . . . 189 R CD . 15939 1 453 . 1 1 41 41 ARG CG C 13 27.64 0 . 1 . . . . 189 R CG . 15939 1 454 . 1 1 41 41 ARG N N 15 118.418 0.002 . 1 . . . . 189 R N . 15939 1 455 . 1 1 42 42 CYS H H 1 8.009 0 . 1 . . . . 190 C H . 15939 1 456 . 1 1 42 42 CYS HA H 1 4.04 0.002 . 1 . . . . 190 C HA . 15939 1 457 . 1 1 42 42 CYS HB2 H 1 2.128 0.003 . 2 . . . . 190 C HB2 . 15939 1 458 . 1 1 42 42 CYS HB3 H 1 1.01 0.003 . 2 . . . . 190 C HB3 . 15939 1 459 . 1 1 42 42 CYS C C 13 174.341 0 . 1 . . . . 190 C C . 15939 1 460 . 1 1 42 42 CYS CA C 13 59.84 0 . 1 . . . . 190 C CA . 15939 1 461 . 1 1 42 42 CYS CB C 13 28.453 0 . 1 . . . . 190 C CB . 15939 1 462 . 1 1 42 42 CYS N N 15 112.753 0 . 1 . . . . 190 C N . 15939 1 463 . 1 1 43 43 VAL H H 1 7.824 0 . 1 . . . . 191 V H . 15939 1 464 . 1 1 43 43 VAL HA H 1 4.301 0.003 . 1 . . . . 191 V HA . 15939 1 465 . 1 1 43 43 VAL HB H 1 2.455 0.001 . 1 . . . . 191 V HB . 15939 1 466 . 1 1 43 43 VAL HG11 H 1 0.843 0.001 . 2 . . . . 191 V HG11 . 15939 1 467 . 1 1 43 43 VAL HG12 H 1 0.843 0.001 . 2 . . . . 191 V HG12 . 15939 1 468 . 1 1 43 43 VAL HG13 H 1 0.843 0.001 . 2 . . . . 191 V HG13 . 15939 1 469 . 1 1 43 43 VAL HG21 H 1 0.748 0.004 . 2 . . . . 191 V HG21 . 15939 1 470 . 1 1 43 43 VAL HG22 H 1 0.748 0.004 . 2 . . . . 191 V HG22 . 15939 1 471 . 1 1 43 43 VAL HG23 H 1 0.748 0.004 . 2 . . . . 191 V HG23 . 15939 1 472 . 1 1 43 43 VAL CA C 13 59.401 0 . 1 . . . . 191 V CA . 15939 1 473 . 1 1 43 43 VAL CB C 13 31.887 0 . 1 . . . . 191 V CB . 15939 1 474 . 1 1 43 43 VAL CG1 C 13 22.336 0 . 2 . . . . 191 V CG1 . 15939 1 475 . 1 1 43 43 VAL CG2 C 13 21.62 0 . 2 . . . . 191 V CG2 . 15939 1 476 . 1 1 43 43 VAL N N 15 121.987 0.019 . 1 . . . . 191 V N . 15939 1 477 . 1 1 44 44 PRO HA H 1 4.007 0.003 . 1 . . . . 192 P HA . 15939 1 478 . 1 1 44 44 PRO HB2 H 1 2.285 0.001 . 2 . . . . 192 P HB2 . 15939 1 479 . 1 1 44 44 PRO HB3 H 1 1.902 0.009 . 2 . . . . 192 P HB3 . 15939 1 480 . 1 1 44 44 PRO HD2 H 1 3.774 0.008 . 2 . . . . 192 P HD2 . 15939 1 481 . 1 1 44 44 PRO HD3 H 1 3.586 0.002 . 2 . . . . 192 P HD3 . 15939 1 482 . 1 1 44 44 PRO HG2 H 1 2.012 0.005 . 2 . . . . 192 P HG2 . 15939 1 483 . 1 1 44 44 PRO HG3 H 1 2.012 0.005 . 2 . . . . 192 P HG3 . 15939 1 484 . 1 1 44 44 PRO C C 13 177.472 0 . 1 . . . . 192 P C . 15939 1 485 . 1 1 44 44 PRO CA C 13 65.801 0 . 1 . . . . 192 P CA . 15939 1 486 . 1 1 44 44 PRO CB C 13 32.025 0.002 . 1 . . . . 192 P CB . 15939 1 487 . 1 1 44 44 PRO CD C 13 50.805 0.044 . 1 . . . . 192 P CD . 15939 1 488 . 1 1 44 44 PRO CG C 13 27.274 0 . 1 . . . . 192 P CG . 15939 1 489 . 1 1 45 45 TYR H H 1 7.755 0 . 1 . . . . 193 Y H . 15939 1 490 . 1 1 45 45 TYR HA H 1 4 0.002 . 1 . . . . 193 Y HA . 15939 1 491 . 1 1 45 45 TYR HB2 H 1 2.893 0.004 . 2 . . . . 193 Y HB2 . 15939 1 492 . 1 1 45 45 TYR HB3 H 1 2.083 0.005 . 2 . . . . 193 Y HB3 . 15939 1 493 . 1 1 45 45 TYR C C 13 175.396 0 . 1 . . . . 193 Y C . 15939 1 494 . 1 1 45 45 TYR CA C 13 60.075 0 . 1 . . . . 193 Y CA . 15939 1 495 . 1 1 45 45 TYR CB C 13 38.796 0.002 . 1 . . . . 193 Y CB . 15939 1 496 . 1 1 45 45 TYR N N 15 115.305 0 . 1 . . . . 193 Y N . 15939 1 497 . 1 1 46 46 PHE H H 1 7.448 0 . 1 . . . . 194 F H . 15939 1 498 . 1 1 46 46 PHE HA H 1 3.927 0.004 . 1 . . . . 194 F HA . 15939 1 499 . 1 1 46 46 PHE HB2 H 1 2.456 0.001 . 2 . . . . 194 F HB2 . 15939 1 500 . 1 1 46 46 PHE HB3 H 1 2.361 0.004 . 2 . . . . 194 F HB3 . 15939 1 501 . 1 1 46 46 PHE C C 13 175.831 0 . 1 . . . . 194 F C . 15939 1 502 . 1 1 46 46 PHE CA C 13 58.026 0 . 1 . . . . 194 F CA . 15939 1 503 . 1 1 46 46 PHE CB C 13 37.985 0 . 1 . . . . 194 F CB . 15939 1 504 . 1 1 46 46 PHE N N 15 113.918 0 . 1 . . . . 194 F N . 15939 1 505 . 1 1 47 47 LYS H H 1 7.494 0 . 1 . . . . 195 K H . 15939 1 506 . 1 1 47 47 LYS HA H 1 4.202 0.004 . 1 . . . . 195 K HA . 15939 1 507 . 1 1 47 47 LYS HB2 H 1 1.978 0.002 . 2 . . . . 195 K HB2 . 15939 1 508 . 1 1 47 47 LYS HB3 H 1 1.978 0.002 . 2 . . . . 195 K HB3 . 15939 1 509 . 1 1 47 47 LYS HD2 H 1 1.784 0.003 . 2 . . . . 195 K HD2 . 15939 1 510 . 1 1 47 47 LYS HD3 H 1 1.646 0.003 . 2 . . . . 195 K HD3 . 15939 1 511 . 1 1 47 47 LYS HE2 H 1 2.904 0.005 . 2 . . . . 195 K HE2 . 15939 1 512 . 1 1 47 47 LYS HE3 H 1 2.904 0.005 . 2 . . . . 195 K HE3 . 15939 1 513 . 1 1 47 47 LYS HG2 H 1 1.412 0.003 . 2 . . . . 195 K HG2 . 15939 1 514 . 1 1 47 47 LYS HG3 H 1 1.412 0.003 . 2 . . . . 195 K HG3 . 15939 1 515 . 1 1 47 47 LYS C C 13 177.271 0 . 1 . . . . 195 K C . 15939 1 516 . 1 1 47 47 LYS CA C 13 58.601 0 . 1 . . . . 195 K CA . 15939 1 517 . 1 1 47 47 LYS CB C 13 32.784 0 . 1 . . . . 195 K CB . 15939 1 518 . 1 1 47 47 LYS CD C 13 29.025 0 . 1 . . . . 195 K CD . 15939 1 519 . 1 1 47 47 LYS CE C 13 41.823 0 . 1 . . . . 195 K CE . 15939 1 520 . 1 1 47 47 LYS CG C 13 24.388 0 . 1 . . . . 195 K CG . 15939 1 521 . 1 1 47 47 LYS N N 15 120.263 0 . 1 . . . . 195 K N . 15939 1 522 . 1 1 48 48 ASP H H 1 8.146 0 . 1 . . . . 196 D H . 15939 1 523 . 1 1 48 48 ASP HA H 1 4.737 0 . 1 . . . . 196 D HA . 15939 1 524 . 1 1 48 48 ASP HB2 H 1 2.817 0.009 . 2 . . . . 196 D HB2 . 15939 1 525 . 1 1 48 48 ASP HB3 H 1 2.644 0.004 . 2 . . . . 196 D HB3 . 15939 1 526 . 1 1 48 48 ASP C C 13 176.568 0 . 1 . . . . 196 D C . 15939 1 527 . 1 1 48 48 ASP CA C 13 53.534 0 . 1 . . . . 196 D CA . 15939 1 528 . 1 1 48 48 ASP CB C 13 40.458 0.002 . 1 . . . . 196 D CB . 15939 1 529 . 1 1 48 48 ASP N N 15 116.878 0 . 1 . . . . 196 D N . 15939 1 530 . 1 1 49 49 LYS H H 1 7.812 0 . 1 . . . . 197 K H . 15939 1 531 . 1 1 49 49 LYS HA H 1 4.675 0.001 . 1 . . . . 197 K HA . 15939 1 532 . 1 1 49 49 LYS HB2 H 1 2.194 0.004 . 2 . . . . 197 K HB2 . 15939 1 533 . 1 1 49 49 LYS HB3 H 1 1.629 0.005 . 2 . . . . 197 K HB3 . 15939 1 534 . 1 1 49 49 LYS HD2 H 1 1.619 0 . 2 . . . . 197 K HD2 . 15939 1 535 . 1 1 49 49 LYS HD3 H 1 1.251 0.002 . 2 . . . . 197 K HD3 . 15939 1 536 . 1 1 49 49 LYS HE2 H 1 2.866 0.01 . 2 . . . . 197 K HE2 . 15939 1 537 . 1 1 49 49 LYS HE3 H 1 2.695 0.004 . 2 . . . . 197 K HE3 . 15939 1 538 . 1 1 49 49 LYS HG2 H 1 1.414 0.048 . 2 . . . . 197 K HG2 . 15939 1 539 . 1 1 49 49 LYS HG3 H 1 1.226 0 . 2 . . . . 197 K HG3 . 15939 1 540 . 1 1 49 49 LYS C C 13 177.02 0 . 1 . . . . 197 K C . 15939 1 541 . 1 1 49 49 LYS CA C 13 55.282 0 . 1 . . . . 197 K CA . 15939 1 542 . 1 1 49 49 LYS CB C 13 32.692 0 . 1 . . . . 197 K CB . 15939 1 543 . 1 1 49 49 LYS CD C 13 28.678 0.013 . 1 . . . . 197 K CD . 15939 1 544 . 1 1 49 49 LYS CE C 13 42.045 0.004 . 1 . . . . 197 K CE . 15939 1 545 . 1 1 49 49 LYS CG C 13 24.786 0.002 . 1 . . . . 197 K CG . 15939 1 546 . 1 1 49 49 LYS N N 15 119.681 0 . 1 . . . . 197 K N . 15939 1 547 . 1 1 50 50 GLY H H 1 8.564 0 . 1 . . . . 198 G H . 15939 1 548 . 1 1 50 50 GLY HA2 H 1 4.214 0.002 . 2 . . . . 198 G HA2 . 15939 1 549 . 1 1 50 50 GLY HA3 H 1 3.948 0.005 . 2 . . . . 198 G HA3 . 15939 1 550 . 1 1 50 50 GLY C C 13 174.308 0 . 1 . . . . 198 G C . 15939 1 551 . 1 1 50 50 GLY CA C 13 46.074 0.002 . 1 . . . . 198 G CA . 15939 1 552 . 1 1 50 50 GLY N N 15 108.033 0 . 1 . . . . 198 G N . 15939 1 553 . 1 1 51 51 ASP H H 1 8.181 0 . 1 . . . . 199 D H . 15939 1 554 . 1 1 51 51 ASP HA H 1 4.74 0.001 . 1 . . . . 199 D HA . 15939 1 555 . 1 1 51 51 ASP HB2 H 1 2.739 0.004 . 2 . . . . 199 D HB2 . 15939 1 556 . 1 1 51 51 ASP HB3 H 1 2.397 0.007 . 2 . . . . 199 D HB3 . 15939 1 557 . 1 1 51 51 ASP CA C 13 53.62 0 . 1 . . . . 199 D CA . 15939 1 558 . 1 1 51 51 ASP CB C 13 41.07 0.003 . 1 . . . . 199 D CB . 15939 1 559 . 1 1 51 51 ASP N N 15 119.394 0 . 1 . . . . 199 D N . 15939 1 560 . 1 1 52 52 SER HA H 1 4.177 0.004 . 1 . . . . 200 S HA . 15939 1 561 . 1 1 52 52 SER HB2 H 1 3.902 0.002 . 2 . . . . 200 S HB2 . 15939 1 562 . 1 1 52 52 SER HB3 H 1 3.902 0.002 . 2 . . . . 200 S HB3 . 15939 1 563 . 1 1 52 52 SER C C 13 175.329 0 . 1 . . . . 200 S C . 15939 1 564 . 1 1 52 52 SER CA C 13 60.158 0 . 1 . . . . 200 S CA . 15939 1 565 . 1 1 52 52 SER CB C 13 63.305 0 . 1 . . . . 200 S CB . 15939 1 566 . 1 1 53 53 ASN H H 1 8.514 0 . 1 . . . . 201 N H . 15939 1 567 . 1 1 53 53 ASN HA H 1 4.649 0.005 . 1 . . . . 201 N HA . 15939 1 568 . 1 1 53 53 ASN HB2 H 1 2.847 0.005 . 2 . . . . 201 N HB2 . 15939 1 569 . 1 1 53 53 ASN HB3 H 1 2.847 0.005 . 2 . . . . 201 N HB3 . 15939 1 570 . 1 1 53 53 ASN C C 13 176.685 0 . 1 . . . . 201 N C . 15939 1 571 . 1 1 53 53 ASN CA C 13 54.446 0 . 1 . . . . 201 N CA . 15939 1 572 . 1 1 53 53 ASN CB C 13 38.572 0 . 1 . . . . 201 N CB . 15939 1 573 . 1 1 53 53 ASN N N 15 119.667 0 . 1 . . . . 201 N N . 15939 1 574 . 1 1 54 54 SER H H 1 8.322 0 . 1 . . . . 202 S H . 15939 1 575 . 1 1 54 54 SER HA H 1 4.402 0.006 . 1 . . . . 202 S HA . 15939 1 576 . 1 1 54 54 SER HB2 H 1 3.904 0.004 . 2 . . . . 202 S HB2 . 15939 1 577 . 1 1 54 54 SER HB3 H 1 3.904 0.004 . 2 . . . . 202 S HB3 . 15939 1 578 . 1 1 54 54 SER C C 13 175.429 0 . 1 . . . . 202 S C . 15939 1 579 . 1 1 54 54 SER CA C 13 59.571 0 . 1 . . . . 202 S CA . 15939 1 580 . 1 1 54 54 SER CB C 13 63.381 0 . 1 . . . . 202 S CB . 15939 1 581 . 1 1 54 54 SER N N 15 115.85 0 . 1 . . . . 202 S N . 15939 1 582 . 1 1 55 55 SER H H 1 8.118 0 . 1 . . . . 203 S H . 15939 1 583 . 1 1 55 55 SER HA H 1 4.275 0.003 . 1 . . . . 203 S HA . 15939 1 584 . 1 1 55 55 SER HB2 H 1 3.988 0.01 . 2 . . . . 203 S HB2 . 15939 1 585 . 1 1 55 55 SER HB3 H 1 3.487 0.002 . 2 . . . . 203 S HB3 . 15939 1 586 . 1 1 55 55 SER C C 13 174.241 0 . 1 . . . . 203 S C . 15939 1 587 . 1 1 55 55 SER CA C 13 58.924 0 . 1 . . . . 203 S CA . 15939 1 588 . 1 1 55 55 SER CB C 13 63.935 0.004 . 1 . . . . 203 S CB . 15939 1 589 . 1 1 55 55 SER N N 15 115.946 0 . 1 . . . . 203 S N . 15939 1 590 . 1 1 56 56 ALA H H 1 7.573 0 . 1 . . . . 204 A H . 15939 1 591 . 1 1 56 56 ALA HA H 1 3.973 0.004 . 1 . . . . 204 A HA . 15939 1 592 . 1 1 56 56 ALA HB1 H 1 1.339 0.003 . 1 . . . . 204 A HB1 . 15939 1 593 . 1 1 56 56 ALA HB2 H 1 1.339 0.003 . 1 . . . . 204 A HB2 . 15939 1 594 . 1 1 56 56 ALA HB3 H 1 1.339 0.003 . 1 . . . . 204 A HB3 . 15939 1 595 . 1 1 56 56 ALA C C 13 179.246 0 . 1 . . . . 204 A C . 15939 1 596 . 1 1 56 56 ALA CA C 13 53.994 0 . 1 . . . . 204 A CA . 15939 1 597 . 1 1 56 56 ALA CB C 13 18.753 0 . 1 . . . . 204 A CB . 15939 1 598 . 1 1 56 56 ALA N N 15 123.972 0 . 1 . . . . 204 A N . 15939 1 599 . 1 1 57 57 GLY H H 1 8.258 0 . 1 . . . . 205 G H . 15939 1 600 . 1 1 57 57 GLY HA2 H 1 4.012 0 . 2 . . . . 205 G HA2 . 15939 1 601 . 1 1 57 57 GLY HA3 H 1 3.905 0.001 . 2 . . . . 205 G HA3 . 15939 1 602 . 1 1 57 57 GLY C C 13 176.551 0 . 1 . . . . 205 G C . 15939 1 603 . 1 1 57 57 GLY CA C 13 46.842 0 . 1 . . . . 205 G CA . 15939 1 604 . 1 1 57 57 GLY N N 15 106.632 0 . 1 . . . . 205 G N . 15939 1 605 . 1 1 58 58 TRP H H 1 8.155 0 . 1 . . . . 206 W H . 15939 1 606 . 1 1 58 58 TRP HA H 1 4.546 0.001 . 1 . . . . 206 W HA . 15939 1 607 . 1 1 58 58 TRP HB2 H 1 3.537 0.006 . 2 . . . . 206 W HB2 . 15939 1 608 . 1 1 58 58 TRP HB3 H 1 3.325 0.002 . 2 . . . . 206 W HB3 . 15939 1 609 . 1 1 58 58 TRP C C 13 174.893 0 . 1 . . . . 206 W C . 15939 1 610 . 1 1 58 58 TRP CA C 13 59.302 0 . 1 . . . . 206 W CA . 15939 1 611 . 1 1 58 58 TRP CB C 13 28.769 0.002 . 1 . . . . 206 W CB . 15939 1 612 . 1 1 58 58 TRP N N 15 122.576 0 . 1 . . . . 206 W N . 15939 1 613 . 1 1 59 59 LYS H H 1 7.441 0 . 1 . . . . 207 K H . 15939 1 614 . 1 1 59 59 LYS HA H 1 3.381 0.005 . 1 . . . . 207 K HA . 15939 1 615 . 1 1 59 59 LYS HB2 H 1 1.167 0.003 . 2 . . . . 207 K HB2 . 15939 1 616 . 1 1 59 59 LYS HB3 H 1 1.139 0.003 . 2 . . . . 207 K HB3 . 15939 1 617 . 1 1 59 59 LYS HD2 H 1 0.756 0.009 . 2 . . . . 207 K HD2 . 15939 1 618 . 1 1 59 59 LYS HD3 H 1 0.638 0.006 . 2 . . . . 207 K HD3 . 15939 1 619 . 1 1 59 59 LYS HE2 H 1 2.029 0.003 . 2 . . . . 207 K HE2 . 15939 1 620 . 1 1 59 59 LYS HE3 H 1 1.948 0.005 . 2 . . . . 207 K HE3 . 15939 1 621 . 1 1 59 59 LYS C C 13 179.598 0 . 1 . . . . 207 K C . 15939 1 622 . 1 1 59 59 LYS CA C 13 60.564 0 . 1 . . . . 207 K CA . 15939 1 623 . 1 1 59 59 LYS CB C 13 31.474 0.002 . 1 . . . . 207 K CB . 15939 1 624 . 1 1 59 59 LYS CD C 13 29.153 0 . 1 . . . . 207 K CD . 15939 1 625 . 1 1 59 59 LYS CE C 13 41.567 0 . 1 . . . . 207 K CE . 15939 1 626 . 1 1 59 59 LYS N N 15 122.16 0 . 1 . . . . 207 K N . 15939 1 627 . 1 1 60 60 ASN H H 1 7.791 0 . 1 . . . . 208 N H . 15939 1 628 . 1 1 60 60 ASN HA H 1 4.358 0.002 . 1 . . . . 208 N HA . 15939 1 629 . 1 1 60 60 ASN HB2 H 1 2.826 0.001 . 2 . . . . 208 N HB2 . 15939 1 630 . 1 1 60 60 ASN HB3 H 1 2.826 0.001 . 2 . . . . 208 N HB3 . 15939 1 631 . 1 1 60 60 ASN C C 13 177.706 0 . 1 . . . . 208 N C . 15939 1 632 . 1 1 60 60 ASN CA C 13 56.063 0 . 1 . . . . 208 N CA . 15939 1 633 . 1 1 60 60 ASN CB C 13 37.961 0 . 1 . . . . 208 N CB . 15939 1 634 . 1 1 60 60 ASN N N 15 118.836 0 . 1 . . . . 208 N N . 15939 1 635 . 1 1 61 61 SER H H 1 8.103 0 . 1 . . . . 209 S H . 15939 1 636 . 1 1 61 61 SER HA H 1 4.223 0.005 . 1 . . . . 209 S HA . 15939 1 637 . 1 1 61 61 SER HB2 H 1 3.749 0.003 . 2 . . . . 209 S HB2 . 15939 1 638 . 1 1 61 61 SER HB3 H 1 3.226 0.006 . 2 . . . . 209 S HB3 . 15939 1 639 . 1 1 61 61 SER C C 13 177.522 0 . 1 . . . . 209 S C . 15939 1 640 . 1 1 61 61 SER CA C 13 62.348 0 . 1 . . . . 209 S CA . 15939 1 641 . 1 1 61 61 SER CB C 13 62.133 0.001 . 1 . . . . 209 S CB . 15939 1 642 . 1 1 61 61 SER N N 15 117.402 0 . 1 . . . . 209 S N . 15939 1 643 . 1 1 62 62 ILE H H 1 8.259 0 . 1 . . . . 210 I H . 15939 1 644 . 1 1 62 62 ILE HA H 1 3.518 0.003 . 1 . . . . 210 I HA . 15939 1 645 . 1 1 62 62 ILE HB H 1 2.359 0.007 . 1 . . . . 210 I HB . 15939 1 646 . 1 1 62 62 ILE HD11 H 1 1.026 0.002 . 1 . . . . 210 I HD11 . 15939 1 647 . 1 1 62 62 ILE HD12 H 1 1.026 0.002 . 1 . . . . 210 I HD12 . 15939 1 648 . 1 1 62 62 ILE HD13 H 1 1.026 0.002 . 1 . . . . 210 I HD13 . 15939 1 649 . 1 1 62 62 ILE HG12 H 1 1.832 0.005 . 2 . . . . 210 I HG12 . 15939 1 650 . 1 1 62 62 ILE HG13 H 1 1.444 0.006 . 2 . . . . 210 I HG13 . 15939 1 651 . 1 1 62 62 ILE HG21 H 1 0.686 0.001 . 1 . . . . 210 I HG21 . 15939 1 652 . 1 1 62 62 ILE HG22 H 1 0.686 0.001 . 1 . . . . 210 I HG22 . 15939 1 653 . 1 1 62 62 ILE HG23 H 1 0.686 0.001 . 1 . . . . 210 I HG23 . 15939 1 654 . 1 1 62 62 ILE C C 13 176.333 0 . 1 . . . . 210 I C . 15939 1 655 . 1 1 62 62 ILE CA C 13 64.37 0 . 1 . . . . 210 I CA . 15939 1 656 . 1 1 62 62 ILE CB C 13 36.606 0.038 . 1 . . . . 210 I CB . 15939 1 657 . 1 1 62 62 ILE CD1 C 13 12.926 0 . 1 . . . . 210 I CD1 . 15939 1 658 . 1 1 62 62 ILE CG1 C 13 28.998 0.003 . 1 . . . . 210 I CG1 . 15939 1 659 . 1 1 62 62 ILE CG2 C 13 16.898 0 . 1 . . . . 210 I CG2 . 15939 1 660 . 1 1 62 62 ILE N N 15 124.781 0 . 1 . . . . 210 I N . 15939 1 661 . 1 1 63 63 ARG H H 1 7.838 0 . 1 . . . . 211 R H . 15939 1 662 . 1 1 63 63 ARG HA H 1 3.662 0.003 . 1 . . . . 211 R HA . 15939 1 663 . 1 1 63 63 ARG HB2 H 1 1.925 0.006 . 2 . . . . 211 R HB2 . 15939 1 664 . 1 1 63 63 ARG HB3 H 1 1.925 0.006 . 2 . . . . 211 R HB3 . 15939 1 665 . 1 1 63 63 ARG HD2 H 1 3.248 0.007 . 2 . . . . 211 R HD2 . 15939 1 666 . 1 1 63 63 ARG HD3 H 1 3.248 0.007 . 2 . . . . 211 R HD3 . 15939 1 667 . 1 1 63 63 ARG HG2 H 1 1.866 0.006 . 2 . . . . 211 R HG2 . 15939 1 668 . 1 1 63 63 ARG HG3 H 1 1.543 0.004 . 2 . . . . 211 R HG3 . 15939 1 669 . 1 1 63 63 ARG C C 13 178.794 0 . 1 . . . . 211 R C . 15939 1 670 . 1 1 63 63 ARG CA C 13 60.106 0 . 1 . . . . 211 R CA . 15939 1 671 . 1 1 63 63 ARG CB C 13 29.933 0 . 1 . . . . 211 R CB . 15939 1 672 . 1 1 63 63 ARG CD C 13 43.628 0 . 1 . . . . 211 R CD . 15939 1 673 . 1 1 63 63 ARG CG C 13 27.958 0.013 . 1 . . . . 211 R CG . 15939 1 674 . 1 1 63 63 ARG N N 15 118.629 0 . 1 . . . . 211 R N . 15939 1 675 . 1 1 64 64 HIS H H 1 8.415 0 . 1 . . . . 212 H H . 15939 1 676 . 1 1 64 64 HIS HA H 1 4.363 0.003 . 1 . . . . 212 H HA . 15939 1 677 . 1 1 64 64 HIS HB2 H 1 3.204 0.001 . 2 . . . . 212 H HB2 . 15939 1 678 . 1 1 64 64 HIS HB3 H 1 1.926 0 . 2 . . . . 212 H HB3 . 15939 1 679 . 1 1 64 64 HIS C C 13 177.639 0 . 1 . . . . 212 H C . 15939 1 680 . 1 1 64 64 HIS CA C 13 58.89 0 . 1 . . . . 212 H CA . 15939 1 681 . 1 1 64 64 HIS CB C 13 30.289 0 . 1 . . . . 212 H CB . 15939 1 682 . 1 1 64 64 HIS N N 15 117.618 0 . 1 . . . . 212 H N . 15939 1 683 . 1 1 65 65 ASN H H 1 7.946 0 . 1 . . . . 213 N H . 15939 1 684 . 1 1 65 65 ASN HA H 1 4.26 0.003 . 1 . . . . 213 N HA . 15939 1 685 . 1 1 65 65 ASN HB2 H 1 2.737 0.002 . 2 . . . . 213 N HB2 . 15939 1 686 . 1 1 65 65 ASN HB3 H 1 2.259 0.002 . 2 . . . . 213 N HB3 . 15939 1 687 . 1 1 65 65 ASN C C 13 176.735 0 . 1 . . . . 213 N C . 15939 1 688 . 1 1 65 65 ASN CA C 13 57.39 0 . 1 . . . . 213 N CA . 15939 1 689 . 1 1 65 65 ASN CB C 13 40.591 0.002 . 1 . . . . 213 N CB . 15939 1 690 . 1 1 65 65 ASN N N 15 117.394 0 . 1 . . . . 213 N N . 15939 1 691 . 1 1 66 66 LEU H H 1 7.843 0 . 1 . . . . 214 L H . 15939 1 692 . 1 1 66 66 LEU HA H 1 3.76 0.002 . 1 . . . . 214 L HA . 15939 1 693 . 1 1 66 66 LEU HB2 H 1 1.073 0.01 . 2 . . . . 214 L HB2 . 15939 1 694 . 1 1 66 66 LEU HB3 H 1 1.073 0.01 . 2 . . . . 214 L HB3 . 15939 1 695 . 1 1 66 66 LEU HD11 H 1 -0.503 0.003 . 2 . . . . 214 L HD11 . 15939 1 696 . 1 1 66 66 LEU HD12 H 1 -0.503 0.003 . 2 . . . . 214 L HD12 . 15939 1 697 . 1 1 66 66 LEU HD13 H 1 -0.503 0.003 . 2 . . . . 214 L HD13 . 15939 1 698 . 1 1 66 66 LEU HD21 H 1 -0.441 0.002 . 2 . . . . 214 L HD21 . 15939 1 699 . 1 1 66 66 LEU HD22 H 1 -0.441 0.002 . 2 . . . . 214 L HD22 . 15939 1 700 . 1 1 66 66 LEU HD23 H 1 -0.441 0.002 . 2 . . . . 214 L HD23 . 15939 1 701 . 1 1 66 66 LEU HG H 1 0.913 0.013 . 1 . . . . 214 L HG . 15939 1 702 . 1 1 66 66 LEU C C 13 176.819 0 . 1 . . . . 214 L C . 15939 1 703 . 1 1 66 66 LEU CA C 13 57.28 0 . 1 . . . . 214 L CA . 15939 1 704 . 1 1 66 66 LEU CB C 13 40.459 0 . 1 . . . . 214 L CB . 15939 1 705 . 1 1 66 66 LEU CD1 C 13 25.273 0 . 2 . . . . 214 L CD1 . 15939 1 706 . 1 1 66 66 LEU CD2 C 13 21.766 0 . 2 . . . . 214 L CD2 . 15939 1 707 . 1 1 66 66 LEU CG C 13 24.898 0 . 1 . . . . 214 L CG . 15939 1 708 . 1 1 66 66 LEU N N 15 119.738 0 . 1 . . . . 214 L N . 15939 1 709 . 1 1 67 67 SER H H 1 7.136 0 . 1 . . . . 215 S H . 15939 1 710 . 1 1 67 67 SER HA H 1 4.465 0.001 . 1 . . . . 215 S HA . 15939 1 711 . 1 1 67 67 SER HB2 H 1 4.02 0 . 2 . . . . 215 S HB2 . 15939 1 712 . 1 1 67 67 SER HB3 H 1 4.02 0 . 2 . . . . 215 S HB3 . 15939 1 713 . 1 1 67 67 SER C C 13 174.659 0 . 1 . . . . 215 S C . 15939 1 714 . 1 1 67 67 SER CA C 13 59.724 0 . 1 . . . . 215 S CA . 15939 1 715 . 1 1 67 67 SER CB C 13 63.779 0 . 1 . . . . 215 S CB . 15939 1 716 . 1 1 67 67 SER N N 15 109.489 0 . 1 . . . . 215 S N . 15939 1 717 . 1 1 68 68 LEU H H 1 7.454 0 . 1 . . . . 216 L H . 15939 1 718 . 1 1 68 68 LEU HA H 1 4.335 0.004 . 1 . . . . 216 L HA . 15939 1 719 . 1 1 68 68 LEU HB2 H 1 1.688 0.01 . 2 . . . . 216 L HB2 . 15939 1 720 . 1 1 68 68 LEU HB3 H 1 1.325 0.007 . 2 . . . . 216 L HB3 . 15939 1 721 . 1 1 68 68 LEU HD11 H 1 0.859 0.007 . 2 . . . . 216 L HD11 . 15939 1 722 . 1 1 68 68 LEU HD12 H 1 0.859 0.007 . 2 . . . . 216 L HD12 . 15939 1 723 . 1 1 68 68 LEU HD13 H 1 0.859 0.007 . 2 . . . . 216 L HD13 . 15939 1 724 . 1 1 68 68 LEU HD21 H 1 0.728 0.001 . 2 . . . . 216 L HD21 . 15939 1 725 . 1 1 68 68 LEU HD22 H 1 0.728 0.001 . 2 . . . . 216 L HD22 . 15939 1 726 . 1 1 68 68 LEU HD23 H 1 0.728 0.001 . 2 . . . . 216 L HD23 . 15939 1 727 . 1 1 68 68 LEU HG H 1 1.431 0.001 . 1 . . . . 216 L HG . 15939 1 728 . 1 1 68 68 LEU CA C 13 55.74 0 . 1 . . . . 216 L CA . 15939 1 729 . 1 1 68 68 LEU CB C 13 43.074 0.001 . 1 . . . . 216 L CB . 15939 1 730 . 1 1 68 68 LEU CD1 C 13 23.569 0 . 2 . . . . 216 L CD1 . 15939 1 731 . 1 1 68 68 LEU CD2 C 13 23.599 0 . 2 . . . . 216 L CD2 . 15939 1 732 . 1 1 68 68 LEU CG C 13 26.415 0 . 1 . . . . 216 L CG . 15939 1 733 . 1 1 68 68 LEU N N 15 120.914 0 . 1 . . . . 216 L N . 15939 1 734 . 1 1 69 69 HIS HA H 1 4.742 0 . 1 . . . . 217 H HA . 15939 1 735 . 1 1 69 69 HIS HB2 H 1 3.297 0.003 . 2 . . . . 217 H HB2 . 15939 1 736 . 1 1 69 69 HIS HB3 H 1 3.297 0.003 . 2 . . . . 217 H HB3 . 15939 1 737 . 1 1 69 69 HIS CA C 13 56.845 0 . 1 . . . . 217 H CA . 15939 1 738 . 1 1 69 69 HIS CB C 13 30.18 0 . 1 . . . . 217 H CB . 15939 1 739 . 1 1 70 70 SER HA H 1 4.347 0 . 1 . . . . 218 S HA . 15939 1 740 . 1 1 70 70 SER HB2 H 1 3.977 0 . 2 . . . . 218 S HB2 . 15939 1 741 . 1 1 70 70 SER HB3 H 1 3.977 0 . 2 . . . . 218 S HB3 . 15939 1 742 . 1 1 70 70 SER C C 13 176.869 0 . 1 . . . . 218 S C . 15939 1 743 . 1 1 70 70 SER CA C 13 59.459 0 . 1 . . . . 218 S CA . 15939 1 744 . 1 1 70 70 SER CB C 13 62.703 0 . 1 . . . . 218 S CB . 15939 1 745 . 1 1 71 71 ARG H H 1 8.01 0 . 1 . . . . 219 R H . 15939 1 746 . 1 1 71 71 ARG HA H 1 4.108 0.001 . 1 . . . . 219 R HA . 15939 1 747 . 1 1 71 71 ARG HB2 H 1 1.457 0.004 . 2 . . . . 219 R HB2 . 15939 1 748 . 1 1 71 71 ARG HB3 H 1 1.013 0.001 . 2 . . . . 219 R HB3 . 15939 1 749 . 1 1 71 71 ARG HD2 H 1 2.912 0.008 . 2 . . . . 219 R HD2 . 15939 1 750 . 1 1 71 71 ARG HD3 H 1 2.826 0.003 . 2 . . . . 219 R HD3 . 15939 1 751 . 1 1 71 71 ARG HG2 H 1 1.15 0.002 . 2 . . . . 219 R HG2 . 15939 1 752 . 1 1 71 71 ARG HG3 H 1 1.023 0.005 . 2 . . . . 219 R HG3 . 15939 1 753 . 1 1 71 71 ARG C C 13 175.58 0 . 1 . . . . 219 R C . 15939 1 754 . 1 1 71 71 ARG CA C 13 56.961 0 . 1 . . . . 219 R CA . 15939 1 755 . 1 1 71 71 ARG CB C 13 30.798 0.01 . 1 . . . . 219 R CB . 15939 1 756 . 1 1 71 71 ARG CD C 13 43.058 0.001 . 1 . . . . 219 R CD . 15939 1 757 . 1 1 71 71 ARG CG C 13 26.148 0.007 . 1 . . . . 219 R CG . 15939 1 758 . 1 1 71 71 ARG N N 15 119.252 0 . 1 . . . . 219 R N . 15939 1 759 . 1 1 72 72 PHE H H 1 8.04 0 . 1 . . . . 220 F H . 15939 1 760 . 1 1 72 72 PHE HA H 1 5.75 0.005 . 1 . . . . 220 F HA . 15939 1 761 . 1 1 72 72 PHE HB2 H 1 3.451 0.006 . 2 . . . . 220 F HB2 . 15939 1 762 . 1 1 72 72 PHE HB3 H 1 3.301 0.013 . 2 . . . . 220 F HB3 . 15939 1 763 . 1 1 72 72 PHE C C 13 174.693 0 . 1 . . . . 220 F C . 15939 1 764 . 1 1 72 72 PHE CA C 13 55.527 0 . 1 . . . . 220 F CA . 15939 1 765 . 1 1 72 72 PHE CB C 13 41.822 0.013 . 1 . . . . 220 F CB . 15939 1 766 . 1 1 72 72 PHE N N 15 118.253 0.023 . 1 . . . . 220 F N . 15939 1 767 . 1 1 73 73 MET H H 1 9.257 0 . 1 . . . . 221 M H . 15939 1 768 . 1 1 73 73 MET HA H 1 4.941 0 . 1 . . . . 221 M HA . 15939 1 769 . 1 1 73 73 MET HB2 H 1 1.933 0.005 . 2 . . . . 221 M HB2 . 15939 1 770 . 1 1 73 73 MET HB3 H 1 1.933 0.005 . 2 . . . . 221 M HB3 . 15939 1 771 . 1 1 73 73 MET HE1 H 1 2.105 0.002 . 1 . . . . 221 M HE1 . 15939 1 772 . 1 1 73 73 MET HE2 H 1 2.105 0.002 . 1 . . . . 221 M HE2 . 15939 1 773 . 1 1 73 73 MET HE3 H 1 2.105 0.002 . 1 . . . . 221 M HE3 . 15939 1 774 . 1 1 73 73 MET HG2 H 1 2.387 0.012 . 2 . . . . 221 M HG2 . 15939 1 775 . 1 1 73 73 MET HG3 H 1 2.387 0.012 . 2 . . . . 221 M HG3 . 15939 1 776 . 1 1 73 73 MET C C 13 175.195 0 . 1 . . . . 221 M C . 15939 1 777 . 1 1 73 73 MET CA C 13 54.284 0 . 1 . . . . 221 M CA . 15939 1 778 . 1 1 73 73 MET CB C 13 37.051 0 . 1 . . . . 221 M CB . 15939 1 779 . 1 1 73 73 MET CE C 13 17.356 0 . 1 . . . . 221 M CE . 15939 1 780 . 1 1 73 73 MET CG C 13 31.992 0 . 1 . . . . 221 M CG . 15939 1 781 . 1 1 73 73 MET N N 15 120.291 0 . 1 . . . . 221 M N . 15939 1 782 . 1 1 74 74 ARG H H 1 8.214 0 . 1 . . . . 222 R H . 15939 1 783 . 1 1 74 74 ARG HA H 1 4.243 0.006 . 1 . . . . 222 R HA . 15939 1 784 . 1 1 74 74 ARG HB2 H 1 1.075 0.003 . 2 . . . . 222 R HB2 . 15939 1 785 . 1 1 74 74 ARG HB3 H 1 1.075 0.003 . 2 . . . . 222 R HB3 . 15939 1 786 . 1 1 74 74 ARG HD2 H 1 2.85 0.002 . 2 . . . . 222 R HD2 . 15939 1 787 . 1 1 74 74 ARG HD3 H 1 2.781 0.004 . 2 . . . . 222 R HD3 . 15939 1 788 . 1 1 74 74 ARG HG2 H 1 0.591 0.004 . 2 . . . . 222 R HG2 . 15939 1 789 . 1 1 74 74 ARG HG3 H 1 0.34 0.004 . 2 . . . . 222 R HG3 . 15939 1 790 . 1 1 74 74 ARG CA C 13 54.296 0 . 1 . . . . 222 R CA . 15939 1 791 . 1 1 74 74 ARG CB C 13 30.959 0 . 1 . . . . 222 R CB . 15939 1 792 . 1 1 74 74 ARG CD C 13 43.266 0.016 . 1 . . . . 222 R CD . 15939 1 793 . 1 1 74 74 ARG CG C 13 26.851 0.005 . 1 . . . . 222 R CG . 15939 1 794 . 1 1 74 74 ARG N N 15 125.048 0.037 . 1 . . . . 222 R N . 15939 1 795 . 1 1 75 75 VAL H H 1 9.023 0 . 1 . . . . 223 V H . 15939 1 796 . 1 1 75 75 VAL HA H 1 4.142 0.005 . 1 . . . . 223 V HA . 15939 1 797 . 1 1 75 75 VAL HB H 1 1.908 0.002 . 1 . . . . 223 V HB . 15939 1 798 . 1 1 75 75 VAL HG11 H 1 0.897 0.003 . 2 . . . . 223 V HG11 . 15939 1 799 . 1 1 75 75 VAL HG12 H 1 0.897 0.003 . 2 . . . . 223 V HG12 . 15939 1 800 . 1 1 75 75 VAL HG13 H 1 0.897 0.003 . 2 . . . . 223 V HG13 . 15939 1 801 . 1 1 75 75 VAL HG21 H 1 0.86 0.001 . 2 . . . . 223 V HG21 . 15939 1 802 . 1 1 75 75 VAL HG22 H 1 0.86 0.001 . 2 . . . . 223 V HG22 . 15939 1 803 . 1 1 75 75 VAL HG23 H 1 0.86 0.001 . 2 . . . . 223 V HG23 . 15939 1 804 . 1 1 75 75 VAL C C 13 174.676 0 . 1 . . . . 223 V C . 15939 1 805 . 1 1 75 75 VAL CA C 13 60.995 0 . 1 . . . . 223 V CA . 15939 1 806 . 1 1 75 75 VAL CB C 13 34.253 0 . 1 . . . . 223 V CB . 15939 1 807 . 1 1 75 75 VAL CG1 C 13 21.245 0 . 2 . . . . 223 V CG1 . 15939 1 808 . 1 1 75 75 VAL CG2 C 13 20.913 0 . 2 . . . . 223 V CG2 . 15939 1 809 . 1 1 75 75 VAL N N 15 125.773 0 . 1 . . . . 223 V N . 15939 1 810 . 1 1 76 76 GLN H H 1 8.465 0 . 1 . . . . 224 Q H . 15939 1 811 . 1 1 76 76 GLN HA H 1 4.288 0.003 . 1 . . . . 224 Q HA . 15939 1 812 . 1 1 76 76 GLN HB2 H 1 2.231 0.006 . 2 . . . . 224 Q HB2 . 15939 1 813 . 1 1 76 76 GLN HB3 H 1 2.231 0.006 . 2 . . . . 224 Q HB3 . 15939 1 814 . 1 1 76 76 GLN HG2 H 1 1.925 0.006 . 2 . . . . 224 Q HG2 . 15939 1 815 . 1 1 76 76 GLN HG3 H 1 1.925 0.006 . 2 . . . . 224 Q HG3 . 15939 1 816 . 1 1 76 76 GLN C C 13 175.094 0 . 1 . . . . 224 Q C . 15939 1 817 . 1 1 76 76 GLN CA C 13 55.697 0 . 1 . . . . 224 Q CA . 15939 1 818 . 1 1 76 76 GLN CB C 13 33.645 0 . 1 . . . . 224 Q CB . 15939 1 819 . 1 1 76 76 GLN CG C 13 29.767 0 . 1 . . . . 224 Q CG . 15939 1 820 . 1 1 76 76 GLN N N 15 124.03 0 . 1 . . . . 224 Q N . 15939 1 821 . 1 1 77 77 ASN H H 1 8.493 0 . 1 . . . . 225 N H . 15939 1 822 . 1 1 77 77 ASN HA H 1 4.616 0.006 . 1 . . . . 225 N HA . 15939 1 823 . 1 1 77 77 ASN HB2 H 1 2.617 0.003 . 2 . . . . 225 N HB2 . 15939 1 824 . 1 1 77 77 ASN HB3 H 1 2.328 0.006 . 2 . . . . 225 N HB3 . 15939 1 825 . 1 1 77 77 ASN C C 13 174.843 0 . 1 . . . . 225 N C . 15939 1 826 . 1 1 77 77 ASN CA C 13 52.574 0 . 1 . . . . 225 N CA . 15939 1 827 . 1 1 77 77 ASN CB C 13 38.948 0 . 1 . . . . 225 N CB . 15939 1 828 . 1 1 77 77 ASN N N 15 121.921 0 . 1 . . . . 225 N N . 15939 1 829 . 1 1 78 78 GLU H H 1 8.677 0 . 1 . . . . 226 E H . 15939 1 830 . 1 1 78 78 GLU HA H 1 4.238 0.002 . 1 . . . . 226 E HA . 15939 1 831 . 1 1 78 78 GLU HB2 H 1 2.094 0.004 . 2 . . . . 226 E HB2 . 15939 1 832 . 1 1 78 78 GLU HB3 H 1 1.946 0.005 . 2 . . . . 226 E HB3 . 15939 1 833 . 1 1 78 78 GLU HG2 H 1 2.26 0.005 . 2 . . . . 226 E HG2 . 15939 1 834 . 1 1 78 78 GLU HG3 H 1 2.26 0.005 . 2 . . . . 226 E HG3 . 15939 1 835 . 1 1 78 78 GLU C C 13 176.919 0 . 1 . . . . 226 E C . 15939 1 836 . 1 1 78 78 GLU CA C 13 57.032 0 . 1 . . . . 226 E CA . 15939 1 837 . 1 1 78 78 GLU CB C 13 29.938 0.008 . 1 . . . . 226 E CB . 15939 1 838 . 1 1 78 78 GLU CG C 13 36.178 0 . 1 . . . . 226 E CG . 15939 1 839 . 1 1 78 78 GLU N N 15 122.336 0 . 1 . . . . 226 E N . 15939 1 840 . 1 1 79 79 GLY H H 1 8.524 0 . 1 . . . . 227 G H . 15939 1 841 . 1 1 79 79 GLY HA2 H 1 3.978 0 . 2 . . . . 227 G HA2 . 15939 1 842 . 1 1 79 79 GLY HA3 H 1 3.978 0 . 2 . . . . 227 G HA3 . 15939 1 843 . 1 1 79 79 GLY C C 13 174.324 0 . 1 . . . . 227 G C . 15939 1 844 . 1 1 79 79 GLY CA C 13 45.129 0 . 1 . . . . 227 G CA . 15939 1 845 . 1 1 79 79 GLY N N 15 109.456 0 . 1 . . . . 227 G N . 15939 1 846 . 1 1 80 80 THR H H 1 8.134 0 . 1 . . . . 228 T H . 15939 1 847 . 1 1 80 80 THR HA H 1 4.273 0.002 . 1 . . . . 228 T HA . 15939 1 848 . 1 1 80 80 THR HB H 1 4.223 0.003 . 1 . . . . 228 T HB . 15939 1 849 . 1 1 80 80 THR HG21 H 1 1.172 0.001 . 1 . . . . 228 T HG21 . 15939 1 850 . 1 1 80 80 THR HG22 H 1 1.172 0.001 . 1 . . . . 228 T HG22 . 15939 1 851 . 1 1 80 80 THR HG23 H 1 1.172 0.001 . 1 . . . . 228 T HG23 . 15939 1 852 . 1 1 80 80 THR C C 13 175.63 0 . 1 . . . . 228 T C . 15939 1 853 . 1 1 80 80 THR CA C 13 62.232 0 . 1 . . . . 228 T CA . 15939 1 854 . 1 1 80 80 THR CB C 13 69.299 0 . 1 . . . . 228 T CB . 15939 1 855 . 1 1 80 80 THR CG2 C 13 21.409 0 . 1 . . . . 228 T CG2 . 15939 1 856 . 1 1 80 80 THR N N 15 113.911 0 . 1 . . . . 228 T N . 15939 1 857 . 1 1 81 81 GLY H H 1 8.572 0 . 1 . . . . 229 G H . 15939 1 858 . 1 1 81 81 GLY HA2 H 1 4.02 0.001 . 2 . . . . 229 G HA2 . 15939 1 859 . 1 1 81 81 GLY HA3 H 1 3.852 0.001 . 2 . . . . 229 G HA3 . 15939 1 860 . 1 1 81 81 GLY C C 13 174.241 0 . 1 . . . . 229 G C . 15939 1 861 . 1 1 81 81 GLY CA C 13 45.582 0 . 1 . . . . 229 G CA . 15939 1 862 . 1 1 81 81 GLY N N 15 112.257 0 . 1 . . . . 229 G N . 15939 1 863 . 1 1 82 82 LYS H H 1 7.985 0 . 1 . . . . 230 K H . 15939 1 864 . 1 1 82 82 LYS C C 13 176.484 0 . 1 . . . . 230 K C . 15939 1 865 . 1 1 82 82 LYS N N 15 119.46 0 . 1 . . . . 230 K N . 15939 1 866 . 1 1 83 83 SER H H 1 8.17 0 . 1 . . . . 231 S H . 15939 1 867 . 1 1 83 83 SER HA H 1 4.426 0.007 . 1 . . . . 231 S HA . 15939 1 868 . 1 1 83 83 SER HB2 H 1 3.695 0 . 2 . . . . 231 S HB2 . 15939 1 869 . 1 1 83 83 SER HB3 H 1 3.633 0.002 . 2 . . . . 231 S HB3 . 15939 1 870 . 1 1 83 83 SER CA C 13 58.066 0 . 1 . . . . 231 S CA . 15939 1 871 . 1 1 83 83 SER CB C 13 63.751 0.003 . 1 . . . . 231 S CB . 15939 1 872 . 1 1 83 83 SER N N 15 116.759 0 . 1 . . . . 231 S N . 15939 1 873 . 1 1 84 84 SER H H 1 8.211 0 . 1 . . . . 232 S H . 15939 1 874 . 1 1 84 84 SER HA H 1 4.366 0.003 . 1 . . . . 232 S HA . 15939 1 875 . 1 1 84 84 SER HB2 H 1 3.424 0 . 2 . . . . 232 S HB2 . 15939 1 876 . 1 1 84 84 SER HB3 H 1 3.424 0 . 2 . . . . 232 S HB3 . 15939 1 877 . 1 1 84 84 SER C C 13 173.186 0 . 1 . . . . 232 S C . 15939 1 878 . 1 1 84 84 SER CA C 13 58.399 0 . 1 . . . . 232 S CA . 15939 1 879 . 1 1 84 84 SER CB C 13 63.968 0 . 1 . . . . 232 S CB . 15939 1 880 . 1 1 84 84 SER N N 15 116.759 0 . 1 . . . . 232 S N . 15939 1 881 . 1 1 85 85 TRP H H 1 8.368 0 . 1 . . . . 233 W H . 15939 1 882 . 1 1 85 85 TRP HA H 1 4.676 0.012 . 1 . . . . 233 W HA . 15939 1 883 . 1 1 85 85 TRP HB2 H 1 2.929 0.001 . 2 . . . . 233 W HB2 . 15939 1 884 . 1 1 85 85 TRP HB3 H 1 2.929 0.001 . 2 . . . . 233 W HB3 . 15939 1 885 . 1 1 85 85 TRP C C 13 173.956 0 . 1 . . . . 233 W C . 15939 1 886 . 1 1 85 85 TRP CA C 13 56.368 0 . 1 . . . . 233 W CA . 15939 1 887 . 1 1 85 85 TRP CB C 13 32.294 0 . 1 . . . . 233 W CB . 15939 1 888 . 1 1 85 85 TRP N N 15 120.706 0 . 1 . . . . 233 W N . 15939 1 889 . 1 1 86 86 TRP H H 1 9.138 0 . 1 . . . . 234 W H . 15939 1 890 . 1 1 86 86 TRP HA H 1 5.272 0.002 . 1 . . . . 234 W HA . 15939 1 891 . 1 1 86 86 TRP HB2 H 1 2.999 0.009 . 2 . . . . 234 W HB2 . 15939 1 892 . 1 1 86 86 TRP HB3 H 1 2.862 0.009 . 2 . . . . 234 W HB3 . 15939 1 893 . 1 1 86 86 TRP C C 13 175.161 0 . 1 . . . . 234 W C . 15939 1 894 . 1 1 86 86 TRP CA C 13 56.751 0 . 1 . . . . 234 W CA . 15939 1 895 . 1 1 86 86 TRP CB C 13 30.82 0.005 . 1 . . . . 234 W CB . 15939 1 896 . 1 1 86 86 TRP N N 15 121.959 0.01 . 1 . . . . 234 W N . 15939 1 897 . 1 1 87 87 ILE H H 1 8.948 0 . 1 . . . . 235 I H . 15939 1 898 . 1 1 87 87 ILE HA H 1 5.013 0.002 . 1 . . . . 235 I HA . 15939 1 899 . 1 1 87 87 ILE HB H 1 2.21 0.003 . 1 . . . . 235 I HB . 15939 1 900 . 1 1 87 87 ILE HD11 H 1 0.832 0.003 . 1 . . . . 235 I HD11 . 15939 1 901 . 1 1 87 87 ILE HD12 H 1 0.832 0.003 . 1 . . . . 235 I HD12 . 15939 1 902 . 1 1 87 87 ILE HD13 H 1 0.832 0.003 . 1 . . . . 235 I HD13 . 15939 1 903 . 1 1 87 87 ILE HG12 H 1 1.183 0.009 . 2 . . . . 235 I HG12 . 15939 1 904 . 1 1 87 87 ILE HG13 H 1 1.183 0.009 . 2 . . . . 235 I HG13 . 15939 1 905 . 1 1 87 87 ILE HG21 H 1 1.014 0.004 . 1 . . . . 235 I HG21 . 15939 1 906 . 1 1 87 87 ILE HG22 H 1 1.014 0.004 . 1 . . . . 235 I HG22 . 15939 1 907 . 1 1 87 87 ILE HG23 H 1 1.014 0.004 . 1 . . . . 235 I HG23 . 15939 1 908 . 1 1 87 87 ILE C C 13 175.864 0 . 1 . . . . 235 I C . 15939 1 909 . 1 1 87 87 ILE CA C 13 58.827 0 . 1 . . . . 235 I CA . 15939 1 910 . 1 1 87 87 ILE CB C 13 42.58 0 . 1 . . . . 235 I CB . 15939 1 911 . 1 1 87 87 ILE CD1 C 13 13.865 0 . 1 . . . . 235 I CD1 . 15939 1 912 . 1 1 87 87 ILE CG1 C 13 26.15 0 . 1 . . . . 235 I CG1 . 15939 1 913 . 1 1 87 87 ILE CG2 C 13 17.935 0 . 1 . . . . 235 I CG2 . 15939 1 914 . 1 1 87 87 ILE N N 15 112.604 0 . 1 . . . . 235 I N . 15939 1 915 . 1 1 88 88 ILE H H 1 8.913 0 . 1 . . . . 236 I H . 15939 1 916 . 1 1 88 88 ILE HA H 1 4.53 0.001 . 1 . . . . 236 I HA . 15939 1 917 . 1 1 88 88 ILE HB H 1 1.843 0.005 . 1 . . . . 236 I HB . 15939 1 918 . 1 1 88 88 ILE HD11 H 1 1.08 0.003 . 1 . . . . 236 I HD11 . 15939 1 919 . 1 1 88 88 ILE HD12 H 1 1.08 0.003 . 1 . . . . 236 I HD12 . 15939 1 920 . 1 1 88 88 ILE HD13 H 1 1.08 0.003 . 1 . . . . 236 I HD13 . 15939 1 921 . 1 1 88 88 ILE HG12 H 1 1.744 0.005 . 2 . . . . 236 I HG12 . 15939 1 922 . 1 1 88 88 ILE HG13 H 1 1.439 0.004 . 2 . . . . 236 I HG13 . 15939 1 923 . 1 1 88 88 ILE HG21 H 1 0.885 0.003 . 1 . . . . 236 I HG21 . 15939 1 924 . 1 1 88 88 ILE HG22 H 1 0.885 0.003 . 1 . . . . 236 I HG22 . 15939 1 925 . 1 1 88 88 ILE HG23 H 1 0.885 0.003 . 1 . . . . 236 I HG23 . 15939 1 926 . 1 1 88 88 ILE C C 13 176.517 0 . 1 . . . . 236 I C . 15939 1 927 . 1 1 88 88 ILE CA C 13 60.043 0 . 1 . . . . 236 I CA . 15939 1 928 . 1 1 88 88 ILE CB C 13 37.598 0 . 1 . . . . 236 I CB . 15939 1 929 . 1 1 88 88 ILE CD1 C 13 13.581 0 . 1 . . . . 236 I CD1 . 15939 1 930 . 1 1 88 88 ILE CG1 C 13 28.181 0.011 . 1 . . . . 236 I CG1 . 15939 1 931 . 1 1 88 88 ILE CG2 C 13 17.785 0 . 1 . . . . 236 I CG2 . 15939 1 932 . 1 1 88 88 ILE N N 15 121.089 0 . 1 . . . . 236 I N . 15939 1 933 . 1 1 89 89 ASN H H 1 8.641 0 . 1 . . . . 237 N H . 15939 1 934 . 1 1 89 89 ASN HA H 1 4.65 0.006 . 1 . . . . 237 N HA . 15939 1 935 . 1 1 89 89 ASN HB2 H 1 2.95 0.005 . 2 . . . . 237 N HB2 . 15939 1 936 . 1 1 89 89 ASN HB3 H 1 2.316 0.002 . 2 . . . . 237 N HB3 . 15939 1 937 . 1 1 89 89 ASN CA C 13 50.61 0 . 1 . . . . 237 N CA . 15939 1 938 . 1 1 89 89 ASN CB C 13 38.877 0 . 1 . . . . 237 N CB . 15939 1 939 . 1 1 89 89 ASN N N 15 126.523 0 . 1 . . . . 237 N N . 15939 1 940 . 1 1 90 90 PRO HA H 1 4.398 0.005 . 1 . . . . 238 P HA . 15939 1 941 . 1 1 90 90 PRO HB2 H 1 2.296 0.004 . 2 . . . . 238 P HB2 . 15939 1 942 . 1 1 90 90 PRO HB3 H 1 2.296 0.004 . 2 . . . . 238 P HB3 . 15939 1 943 . 1 1 90 90 PRO HD2 H 1 4.089 0.004 . 2 . . . . 238 P HD2 . 15939 1 944 . 1 1 90 90 PRO HD3 H 1 3.96 0.017 . 2 . . . . 238 P HD3 . 15939 1 945 . 1 1 90 90 PRO HG2 H 1 2.007 0.007 . 2 . . . . 238 P HG2 . 15939 1 946 . 1 1 90 90 PRO HG3 H 1 2.007 0.007 . 2 . . . . 238 P HG3 . 15939 1 947 . 1 1 90 90 PRO C C 13 176.902 0 . 1 . . . . 238 P C . 15939 1 948 . 1 1 90 90 PRO CA C 13 63.773 0 . 1 . . . . 238 P CA . 15939 1 949 . 1 1 90 90 PRO CB C 13 32.203 0 . 1 . . . . 238 P CB . 15939 1 950 . 1 1 90 90 PRO CD C 13 51.186 0.005 . 1 . . . . 238 P CD . 15939 1 951 . 1 1 90 90 PRO CG C 13 26.865 0 . 1 . . . . 238 P CG . 15939 1 952 . 1 1 91 91 ASP H H 1 7.991 0 . 1 . . . . 239 D H . 15939 1 953 . 1 1 91 91 ASP HA H 1 4.635 0.006 . 1 . . . . 239 D HA . 15939 1 954 . 1 1 91 91 ASP HB2 H 1 2.739 0.003 . 2 . . . . 239 D HB2 . 15939 1 955 . 1 1 91 91 ASP HB3 H 1 2.581 0.004 . 2 . . . . 239 D HB3 . 15939 1 956 . 1 1 91 91 ASP C C 13 176.869 0 . 1 . . . . 239 D C . 15939 1 957 . 1 1 91 91 ASP CA C 13 54.179 0 . 1 . . . . 239 D CA . 15939 1 958 . 1 1 91 91 ASP CB C 13 41.146 0.001 . 1 . . . . 239 D CB . 15939 1 959 . 1 1 91 91 ASP N N 15 118.605 0 . 1 . . . . 239 D N . 15939 1 960 . 1 1 92 92 GLY H H 1 8.009 0 . 1 . . . . 240 G H . 15939 1 961 . 1 1 92 92 GLY HA2 H 1 3.897 0 . 2 . . . . 240 G HA2 . 15939 1 962 . 1 1 92 92 GLY HA3 H 1 3.897 0 . 2 . . . . 240 G HA3 . 15939 1 963 . 1 1 92 92 GLY C C 13 174.793 0 . 1 . . . . 240 G C . 15939 1 964 . 1 1 92 92 GLY CA C 13 45.737 0 . 1 . . . . 240 G CA . 15939 1 965 . 1 1 92 92 GLY N N 15 108.789 0 . 1 . . . . 240 G N . 15939 1 966 . 1 1 93 93 GLY H H 1 8.299 0 . 1 . . . . 241 G H . 15939 1 967 . 1 1 93 93 GLY HA2 H 1 3.933 0 . 2 . . . . 241 G HA2 . 15939 1 968 . 1 1 93 93 GLY HA3 H 1 3.933 0 . 2 . . . . 241 G HA3 . 15939 1 969 . 1 1 93 93 GLY C C 13 174.425 0 . 1 . . . . 241 G C . 15939 1 970 . 1 1 93 93 GLY CA C 13 45.795 0 . 1 . . . . 241 G CA . 15939 1 971 . 1 1 93 93 GLY N N 15 108.517 0 . 1 . . . . 241 G N . 15939 1 972 . 1 1 94 94 LYS H H 1 8.068 0 . 1 . . . . 242 K H . 15939 1 973 . 1 1 94 94 LYS HA H 1 4.333 0.004 . 1 . . . . 242 K HA . 15939 1 974 . 1 1 94 94 LYS HB2 H 1 1.88 0.005 . 2 . . . . 242 K HB2 . 15939 1 975 . 1 1 94 94 LYS HB3 H 1 1.781 0.001 . 2 . . . . 242 K HB3 . 15939 1 976 . 1 1 94 94 LYS HD2 H 1 1.658 0.005 . 2 . . . . 242 K HD2 . 15939 1 977 . 1 1 94 94 LYS HD3 H 1 1.658 0.005 . 2 . . . . 242 K HD3 . 15939 1 978 . 1 1 94 94 LYS HE2 H 1 2.994 0 . 2 . . . . 242 K HE2 . 15939 1 979 . 1 1 94 94 LYS HE3 H 1 2.994 0 . 2 . . . . 242 K HE3 . 15939 1 980 . 1 1 94 94 LYS HG2 H 1 1.431 0.007 . 2 . . . . 242 K HG2 . 15939 1 981 . 1 1 94 94 LYS HG3 H 1 1.431 0.007 . 2 . . . . 242 K HG3 . 15939 1 982 . 1 1 94 94 LYS C C 13 176.869 0 . 1 . . . . 242 K C . 15939 1 983 . 1 1 94 94 LYS CA C 13 56.368 0 . 1 . . . . 242 K CA . 15939 1 984 . 1 1 94 94 LYS CB C 13 32.852 0.005 . 1 . . . . 242 K CB . 15939 1 985 . 1 1 94 94 LYS CD C 13 28.913 0 . 1 . . . . 242 K CD . 15939 1 986 . 1 1 94 94 LYS CE C 13 41.876 0 . 1 . . . . 242 K CE . 15939 1 987 . 1 1 94 94 LYS CG C 13 24.786 0 . 1 . . . . 242 K CG . 15939 1 988 . 1 1 94 94 LYS N N 15 120.442 0 . 1 . . . . 242 K N . 15939 1 989 . 1 1 95 95 SER H H 1 8.342 0 . 1 . . . . 243 S H . 15939 1 990 . 1 1 95 95 SER HA H 1 4.421 0 . 1 . . . . 243 S HA . 15939 1 991 . 1 1 95 95 SER HB2 H 1 3.88 0 . 2 . . . . 243 S HB2 . 15939 1 992 . 1 1 95 95 SER HB3 H 1 3.88 0 . 2 . . . . 243 S HB3 . 15939 1 993 . 1 1 95 95 SER C C 13 175 0 . 1 . . . . 243 S C . 15939 1 994 . 1 1 95 95 SER CA C 13 58.422 0 . 1 . . . . 243 S CA . 15939 1 995 . 1 1 95 95 SER CB C 13 63.638 0 . 1 . . . . 243 S CB . 15939 1 996 . 1 1 95 95 SER N N 15 116.062 0 . 1 . . . . 243 S N . 15939 1 997 . 1 1 96 96 GLY H H 1 8.353 0 . 1 . . . . 244 G H . 15939 1 998 . 1 1 96 96 GLY HA2 H 1 3.945 0 . 2 . . . . 244 G HA2 . 15939 1 999 . 1 1 96 96 GLY HA3 H 1 3.945 0 . 2 . . . . 244 G HA3 . 15939 1 1000 . 1 1 96 96 GLY C C 13 173.822 0 . 1 . . . . 244 G C . 15939 1 1001 . 1 1 96 96 GLY CA C 13 45.312 0 . 1 . . . . 244 G CA . 15939 1 1002 . 1 1 96 96 GLY N N 15 110.71 0 . 1 . . . . 244 G N . 15939 1 1003 . 1 1 97 97 LYS H H 1 8.088 0 . 1 . . . . 245 K H . 15939 1 1004 . 1 1 97 97 LYS HA H 1 4.343 0.007 . 1 . . . . 245 K HA . 15939 1 1005 . 1 1 97 97 LYS HB2 H 1 1.825 0.003 . 2 . . . . 245 K HB2 . 15939 1 1006 . 1 1 97 97 LYS HB3 H 1 1.707 0.004 . 2 . . . . 245 K HB3 . 15939 1 1007 . 1 1 97 97 LYS HE2 H 1 2.972 0.001 . 2 . . . . 245 K HE2 . 15939 1 1008 . 1 1 97 97 LYS HE3 H 1 2.972 0.001 . 2 . . . . 245 K HE3 . 15939 1 1009 . 1 1 97 97 LYS HG2 H 1 0.768 0 . 2 . . . . 245 K HG2 . 15939 1 1010 . 1 1 97 97 LYS HG3 H 1 0.768 0 . 2 . . . . 245 K HG3 . 15939 1 1011 . 1 1 97 97 LYS C C 13 175.931 0 . 1 . . . . 245 K C . 15939 1 1012 . 1 1 97 97 LYS CA C 13 55.561 0 . 1 . . . . 245 K CA . 15939 1 1013 . 1 1 97 97 LYS CB C 13 33.12 0 . 1 . . . . 245 K CB . 15939 1 1014 . 1 1 97 97 LYS CE C 13 42.038 0 . 1 . . . . 245 K CE . 15939 1 1015 . 1 1 97 97 LYS CG C 13 24.514 0 . 1 . . . . 245 K CG . 15939 1 1016 . 1 1 97 97 LYS N N 15 120.521 0 . 1 . . . . 245 K N . 15939 1 1017 . 1 1 98 98 ALA H H 1 8.286 0 . 1 . . . . 246 A H . 15939 1 1018 . 1 1 98 98 ALA HA H 1 4.569 0.003 . 1 . . . . 246 A HA . 15939 1 1019 . 1 1 98 98 ALA HB1 H 1 1.356 0.002 . 1 . . . . 246 A HB1 . 15939 1 1020 . 1 1 98 98 ALA HB2 H 1 1.356 0.002 . 1 . . . . 246 A HB2 . 15939 1 1021 . 1 1 98 98 ALA HB3 H 1 1.356 0.002 . 1 . . . . 246 A HB3 . 15939 1 1022 . 1 1 98 98 ALA CA C 13 50.378 0 . 1 . . . . 246 A CA . 15939 1 1023 . 1 1 98 98 ALA CB C 13 18.141 0 . 1 . . . . 246 A CB . 15939 1 1024 . 1 1 98 98 ALA N N 15 126.544 0 . 1 . . . . 246 A N . 15939 1 1025 . 1 1 99 99 PRO HA H 1 4.414 0.005 . 1 . . . . 247 P HA . 15939 1 1026 . 1 1 99 99 PRO HB2 H 1 2.288 0.003 . 2 . . . . 247 P HB2 . 15939 1 1027 . 1 1 99 99 PRO HB3 H 1 1.883 0.006 . 2 . . . . 247 P HB3 . 15939 1 1028 . 1 1 99 99 PRO HD2 H 1 3.797 0.005 . 2 . . . . 247 P HD2 . 15939 1 1029 . 1 1 99 99 PRO HD3 H 1 3.641 0.002 . 2 . . . . 247 P HD3 . 15939 1 1030 . 1 1 99 99 PRO HG2 H 1 2.01 0.006 . 2 . . . . 247 P HG2 . 15939 1 1031 . 1 1 99 99 PRO HG3 H 1 2.01 0.006 . 2 . . . . 247 P HG3 . 15939 1 1032 . 1 1 99 99 PRO C C 13 176.635 0 . 1 . . . . 247 P C . 15939 1 1033 . 1 1 99 99 PRO CA C 13 62.7 0 . 1 . . . . 247 P CA . 15939 1 1034 . 1 1 99 99 PRO CB C 13 32.122 0 . 1 . . . . 247 P CB . 15939 1 1035 . 1 1 99 99 PRO CD C 13 50.393 0.004 . 1 . . . . 247 P CD . 15939 1 1036 . 1 1 99 99 PRO CG C 13 27.376 0 . 1 . . . . 247 P CG . 15939 1 1037 . 1 1 100 100 ARG H H 1 8.424 0 . 1 . . . . 248 R H . 15939 1 1038 . 1 1 100 100 ARG HA H 1 4.32 0.003 . 1 . . . . 248 R HA . 15939 1 1039 . 1 1 100 100 ARG HB2 H 1 1.858 0.007 . 2 . . . . 248 R HB2 . 15939 1 1040 . 1 1 100 100 ARG HB3 H 1 1.775 0.004 . 2 . . . . 248 R HB3 . 15939 1 1041 . 1 1 100 100 ARG HG2 H 1 1.658 0.012 . 2 . . . . 248 R HG2 . 15939 1 1042 . 1 1 100 100 ARG HG3 H 1 1.658 0.012 . 2 . . . . 248 R HG3 . 15939 1 1043 . 1 1 100 100 ARG C C 13 176.132 0 . 1 . . . . 248 R C . 15939 1 1044 . 1 1 100 100 ARG CA C 13 55.856 0 . 1 . . . . 248 R CA . 15939 1 1045 . 1 1 100 100 ARG CB C 13 30.884 0.004 . 1 . . . . 248 R CB . 15939 1 1046 . 1 1 100 100 ARG N N 15 121.613 0 . 1 . . . . 248 R N . 15939 1 1047 . 1 1 101 101 ARG H H 1 8.424 0 . 1 . . . . 249 R H . 15939 1 1048 . 1 1 101 101 ARG C C 13 175.864 0 . 1 . . . . 249 R C . 15939 1 1049 . 1 1 101 101 ARG N N 15 122.991 0 . 1 . . . . 249 R N . 15939 1 1050 . 1 1 102 102 ARG H H 1 8.461 0 . 1 . . . . 250 R H . 15939 1 1051 . 1 1 102 102 ARG C C 13 174.776 0 . 1 . . . . 250 R C . 15939 1 1052 . 1 1 102 102 ARG N N 15 123.688 0 . 1 . . . . 250 R N . 15939 1 1053 . 1 1 103 103 ALA H H 1 8.011 0 . 1 . . . . 251 A H . 15939 1 1054 . 1 1 103 103 ALA HA H 1 4.107 0.005 . 1 . . . . 251 A HA . 15939 1 1055 . 1 1 103 103 ALA HB1 H 1 1.332 0.005 . 1 . . . . 251 A HB1 . 15939 1 1056 . 1 1 103 103 ALA HB2 H 1 1.332 0.005 . 1 . . . . 251 A HB2 . 15939 1 1057 . 1 1 103 103 ALA HB3 H 1 1.332 0.005 . 1 . . . . 251 A HB3 . 15939 1 1058 . 1 1 103 103 ALA CA C 13 53.655 0 . 1 . . . . 251 A CA . 15939 1 1059 . 1 1 103 103 ALA CB C 13 20.165 0 . 1 . . . . 251 A CB . 15939 1 1060 . 1 1 103 103 ALA N N 15 131.176 0 . 1 . . . . 251 A N . 15939 1 stop_ save_