data_6874 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6874 _Entry.Title ; Structural diversity in CBP/p160 complexes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-25 _Entry.Accession_date 2005-10-25 _Entry.Last_release_date 2006-06-26 _Entry.Original_release_date 2006-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lorna Waters . C. . 6874 2 Baigong Yue . . . 6874 3 Vaclav Veverka . . . 6874 4 Philip Renshaw . S. . 6874 5 Janice Bramham . . . 6874 6 Sachiko Matsuda . . . 6874 7 Thomas Frenkiel . A. . 6874 8 Geoff Kelly . . . 6874 9 Fred Muskett . W. . 6874 10 David Heery . M. . 6874 11 Mark Carr . D. . 6874 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6874 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 6874 '15N chemical shifts' 108 6874 '1H chemical shifts' 764 6874 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 1 . . 2006-06-26 2005-10-25 original author . 6874 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6874 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16540468 _Citation.Full_citation . _Citation.Title 'Structural Diversity in p160/CREB-binding Protein Coactivator Complexes' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 21 _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 14787 _Citation.Page_last 14795 _Citation.Year 2006 _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 Lorna Waters . C. . 6874 1 2 Baigong Yue . . . 6874 1 3 Vaclav Veverka . . . 6874 1 4 Philip Renshaw . S. . 6874 1 5 Janice Bramham . . . 6874 1 6 Sachiko Matsuda . . . 6874 1 7 Thomas Frenkiel . A. . 6874 1 8 Geoff Kelly . . . 6874 1 9 Fred Muskett . W. . 6874 1 10 Mark Carr . D. . 6874 1 11 David Heery . M. . 6874 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CBP-SID-SRC1-AD1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CBP-SID-SRC1-AD1 _Assembly.Entry_ID 6874 _Assembly.ID 1 _Assembly.Name 'CBP-SID domain in complex with SRC1-AD1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID heterodimer 6874 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CBP SID DOMAIN' 1 $CBP . . . native . . . . . 6874 1 2 'SRC1 AD1 DOMAIN' 2 $SRC1 . . . native . . . . . 6874 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes Swiss-Prot O00150 . . . . . 'System reported here is CBP - SID domain in complex with SRC1 - AD1 domain.' 6874 1 yes Swiss-Prot P45481 . . . . . 'System reported here is CBP - SID domain in complex with SRC1 - AD1 domain.' 6874 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CBP-SID domain in complex with SRC1-AD1 domain' system 6874 1 CBP-SID/SRC1-AD1 abbreviation 6874 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBP _Entity.Sf_category entity _Entity.Sf_framecode CBP _Entity.Entry_ID 6874 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CREB-Binding Protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPNRSISPSALQDLLRTLKS PSSPQQQQQVLNILKSNPQL MAAFIKQRTAKYVANQPGMQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2C52 . "Structural Diversity In Cbp P160 Complexes" . . . . . 86.76 59 100.00 100.00 2.54e-31 . . . . 6874 1 2 no GB EPY77026 . "nuclear receptor coactivator 1 isoform 2 isoform 3-like protein [Camelus ferus]" . . . . . 63.24 1029 100.00 100.00 2.71e-17 . . . . 6874 1 3 no GB KFO94678 . "Nuclear receptor coactivator 1, partial [Buceros rhinoceros silvestris]" . . . . . 63.24 1130 97.67 97.67 2.51e-16 . . . . 6874 1 4 no GB KFQ55766 . "Nuclear receptor coactivator 1, partial [Nestor notabilis]" . . . . . 69.12 1472 97.87 97.87 1.40e-19 . . . . 6874 1 5 no GB KFW05013 . "Nuclear receptor coactivator 1, partial [Fulmarus glacialis]" . . . . . 64.71 1408 97.73 97.73 1.76e-17 . . . . 6874 1 6 no REF XP_004324562 . "PREDICTED: nuclear receptor coactivator 1-like, partial [Tursiops truncatus]" . . . . . 63.24 962 100.00 100.00 1.87e-17 . . . . 6874 1 7 no REF XP_005443577 . "PREDICTED: nuclear receptor coactivator 1 isoform X1 [Falco cherrug]" . . . . . 69.12 1449 97.87 97.87 1.10e-19 . . . . 6874 1 8 no REF XP_005443578 . "PREDICTED: nuclear receptor coactivator 1 isoform X2 [Falco cherrug]" . . . . . 69.12 1448 97.87 97.87 1.10e-19 . . . . 6874 1 9 no REF XP_007110326 . "PREDICTED: nuclear receptor coactivator 1-like isoform X1 [Physeter catodon]" . . . . . 63.24 970 100.00 100.00 1.81e-17 . . . . 6874 1 10 no REF XP_007110327 . "PREDICTED: nuclear receptor coactivator 1-like isoform X2 [Physeter catodon]" . . . . . 63.24 970 100.00 100.00 1.81e-17 . . . . 6874 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CBP abbreviation 6874 1 'CREB-Binding Protein' common 6874 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 0 MET . 6874 1 2 2059 PRO . 6874 1 3 2060 ASN . 6874 1 4 2061 ARG . 6874 1 5 2062 SER . 6874 1 6 2063 ILE . 6874 1 7 2064 SER . 6874 1 8 2065 PRO . 6874 1 9 2066 SER . 6874 1 10 2067 ALA . 6874 1 11 2068 LEU . 6874 1 12 2069 GLN . 6874 1 13 2070 ASP . 6874 1 14 2071 LEU . 6874 1 15 2072 LEU . 6874 1 16 2073 ARG . 6874 1 17 2074 THR . 6874 1 18 2075 LEU . 6874 1 19 2076 LYS . 6874 1 20 2077 SER . 6874 1 21 2078 PRO . 6874 1 22 2079 SER . 6874 1 23 2080 SER . 6874 1 24 2081 PRO . 6874 1 25 2082 GLN . 6874 1 26 2083 GLN . 6874 1 27 2084 GLN . 6874 1 28 2085 GLN . 6874 1 29 2086 GLN . 6874 1 30 2087 VAL . 6874 1 31 2088 LEU . 6874 1 32 2089 ASN . 6874 1 33 2090 ILE . 6874 1 34 2091 LEU . 6874 1 35 2092 LYS . 6874 1 36 2093 SER . 6874 1 37 2094 ASN . 6874 1 38 2095 PRO . 6874 1 39 2096 GLN . 6874 1 40 2097 LEU . 6874 1 41 2098 MET . 6874 1 42 2099 ALA . 6874 1 43 2100 ALA . 6874 1 44 2101 PHE . 6874 1 45 2102 ILE . 6874 1 46 2103 LYS . 6874 1 47 2104 GLN . 6874 1 48 2105 ARG . 6874 1 49 2106 THR . 6874 1 50 2107 ALA . 6874 1 51 2108 LYS . 6874 1 52 2109 TYR . 6874 1 53 2110 VAL . 6874 1 54 2111 ALA . 6874 1 55 2112 ASN . 6874 1 56 2113 GLN . 6874 1 57 2114 PRO . 6874 1 58 2115 GLY . 6874 1 59 2116 MET . 6874 1 60 2117 GLN . 6874 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6874 1 . PRO 2 2 6874 1 . ASN 3 3 6874 1 . ARG 4 4 6874 1 . SER 5 5 6874 1 . ILE 6 6 6874 1 . SER 7 7 6874 1 . PRO 8 8 6874 1 . SER 9 9 6874 1 . ALA 10 10 6874 1 . LEU 11 11 6874 1 . GLN 12 12 6874 1 . ASP 13 13 6874 1 . LEU 14 14 6874 1 . LEU 15 15 6874 1 . ARG 16 16 6874 1 . THR 17 17 6874 1 . LEU 18 18 6874 1 . LYS 19 19 6874 1 . SER 20 20 6874 1 . PRO 21 21 6874 1 . SER 22 22 6874 1 . SER 23 23 6874 1 . PRO 24 24 6874 1 . GLN 25 25 6874 1 . GLN 26 26 6874 1 . GLN 27 27 6874 1 . GLN 28 28 6874 1 . GLN 29 29 6874 1 . VAL 30 30 6874 1 . LEU 31 31 6874 1 . ASN 32 32 6874 1 . ILE 33 33 6874 1 . LEU 34 34 6874 1 . LYS 35 35 6874 1 . SER 36 36 6874 1 . ASN 37 37 6874 1 . PRO 38 38 6874 1 . GLN 39 39 6874 1 . LEU 40 40 6874 1 . MET 41 41 6874 1 . ALA 42 42 6874 1 . ALA 43 43 6874 1 . PHE 44 44 6874 1 . ILE 45 45 6874 1 . LYS 46 46 6874 1 . GLN 47 47 6874 1 . ARG 48 48 6874 1 . THR 49 49 6874 1 . ALA 50 50 6874 1 . LYS 51 51 6874 1 . TYR 52 52 6874 1 . VAL 53 53 6874 1 . ALA 54 54 6874 1 . ASN 55 55 6874 1 . GLN 56 56 6874 1 . PRO 57 57 6874 1 . GLY 58 58 6874 1 . MET 59 59 6874 1 . GLN 60 60 6874 1 stop_ save_ save_SRC1 _Entity.Sf_category entity _Entity.Sf_framecode SRC1 _Entity.Entry_ID 6874 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Steroid Receptor Coactivator -1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGPTTVEGRNDEKALLEQLV SFLSGKDETELAELDRALGI DKLVQGGGLDVLSKLVPRGS LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The residue number 3-53 corresponds to 920-970 in another numbering system.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SRC1 abbreviation 6874 2 'Steroid Receptor Coactivator -1' common 6874 2 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 1 301 MET . 6874 2 2 302 GLY . 6874 2 3 303 PRO . 6874 2 4 304 THR . 6874 2 5 305 THR . 6874 2 6 306 VAL . 6874 2 7 307 GLU . 6874 2 8 308 GLY . 6874 2 9 309 ARG . 6874 2 10 310 ASN . 6874 2 11 311 ASP . 6874 2 12 312 GLU . 6874 2 13 313 LYS . 6874 2 14 314 ALA . 6874 2 15 315 LEU . 6874 2 16 316 LEU . 6874 2 17 317 GLU . 6874 2 18 318 GLN . 6874 2 19 319 LEU . 6874 2 20 320 VAL . 6874 2 21 321 SER . 6874 2 22 322 PHE . 6874 2 23 323 LEU . 6874 2 24 324 SER . 6874 2 25 325 GLY . 6874 2 26 326 LYS . 6874 2 27 327 ASP . 6874 2 28 328 GLU . 6874 2 29 329 THR . 6874 2 30 330 GLU . 6874 2 31 331 LEU . 6874 2 32 332 ALA . 6874 2 33 333 GLU . 6874 2 34 334 LEU . 6874 2 35 335 ASP . 6874 2 36 336 ARG . 6874 2 37 337 ALA . 6874 2 38 338 LEU . 6874 2 39 339 GLY . 6874 2 40 340 ILE . 6874 2 41 341 ASP . 6874 2 42 342 LYS . 6874 2 43 343 LEU . 6874 2 44 344 VAL . 6874 2 45 345 GLN . 6874 2 46 346 GLY . 6874 2 47 347 GLY . 6874 2 48 348 GLY . 6874 2 49 349 LEU . 6874 2 50 350 ASP . 6874 2 51 351 VAL . 6874 2 52 352 LEU . 6874 2 53 353 SER . 6874 2 54 354 LYS . 6874 2 55 355 LEU . 6874 2 56 356 VAL . 6874 2 57 357 PRO . 6874 2 58 358 ARG . 6874 2 59 359 GLY . 6874 2 60 360 SER . 6874 2 61 361 LEU . 6874 2 62 362 GLU . 6874 2 63 363 HIS . 6874 2 64 364 HIS . 6874 2 65 365 HIS . 6874 2 66 366 HIS . 6874 2 67 367 HIS . 6874 2 68 368 HIS . 6874 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6874 2 . GLY 2 2 6874 2 . PRO 3 3 6874 2 . THR 4 4 6874 2 . THR 5 5 6874 2 . VAL 6 6 6874 2 . GLU 7 7 6874 2 . GLY 8 8 6874 2 . ARG 9 9 6874 2 . ASN 10 10 6874 2 . ASP 11 11 6874 2 . GLU 12 12 6874 2 . LYS 13 13 6874 2 . ALA 14 14 6874 2 . LEU 15 15 6874 2 . LEU 16 16 6874 2 . GLU 17 17 6874 2 . GLN 18 18 6874 2 . LEU 19 19 6874 2 . VAL 20 20 6874 2 . SER 21 21 6874 2 . PHE 22 22 6874 2 . LEU 23 23 6874 2 . SER 24 24 6874 2 . GLY 25 25 6874 2 . LYS 26 26 6874 2 . ASP 27 27 6874 2 . GLU 28 28 6874 2 . THR 29 29 6874 2 . GLU 30 30 6874 2 . LEU 31 31 6874 2 . ALA 32 32 6874 2 . GLU 33 33 6874 2 . LEU 34 34 6874 2 . ASP 35 35 6874 2 . ARG 36 36 6874 2 . ALA 37 37 6874 2 . LEU 38 38 6874 2 . GLY 39 39 6874 2 . ILE 40 40 6874 2 . ASP 41 41 6874 2 . LYS 42 42 6874 2 . LEU 43 43 6874 2 . VAL 44 44 6874 2 . GLN 45 45 6874 2 . GLY 46 46 6874 2 . GLY 47 47 6874 2 . GLY 48 48 6874 2 . LEU 49 49 6874 2 . ASP 50 50 6874 2 . VAL 51 51 6874 2 . LEU 52 52 6874 2 . SER 53 53 6874 2 . LYS 54 54 6874 2 . LEU 55 55 6874 2 . VAL 56 56 6874 2 . PRO 57 57 6874 2 . ARG 58 58 6874 2 . GLY 59 59 6874 2 . SER 60 60 6874 2 . LEU 61 61 6874 2 . GLU 62 62 6874 2 . HIS 63 63 6874 2 . HIS 64 64 6874 2 . HIS 65 65 6874 2 . HIS 66 66 6874 2 . HIS 67 67 6874 2 . HIS 68 68 6874 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6874 _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 $CBP . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6874 1 2 2 $SRC1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6874 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 6874 _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 $CBP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 2 2 $SRC1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6874 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CREB-Binding Protein' '[U-13C; U-15N]' . . 1 $CBP . . . 1.3 1.5 mM . . . . 6874 1 2 'Steroid Receptor Coactivator -1' '[U-13C; U-15N]' . . 2 $SRC1 . . . 1.3 1.5 mM . . . . 6874 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6874 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CREB-Binding Protein' [U-15N] . . 1 $CBP . . . 1.3 1.5 mM . . . . 6874 2 2 'Steroid Receptor Coactivator -1' [U-15N] . . 2 $SRC1 . . . 1.3 1.5 mM . . . . 6874 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6874 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 6874 1 temperature 298 1 K 6874 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6874 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6874 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6874 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Inova . 800 . . . 6874 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 6874 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 6874 _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 '1H/1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 2 '1H/1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 3 '15N/1H HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 4 '15N/1H TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 5 '15N/1H NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 6 '13C/1H HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 7 '13C/1H HMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 8 '15N/13C/1H HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 9 '15N/13C/1H CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6874 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H/1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H/1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N/1H HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '15N/1H TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N/1H NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C/1H HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '13C/1H HMQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N/13C/1H HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6874 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N/13C/1H CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6874 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6874 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6874 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6874 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_chemical_shift_CBP-SID _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_CBP-SID _Assigned_chem_shift_list.Entry_ID 6874 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H/1H TOCSY' . . . 6874 1 2 '1H/1H NOESY' . . . 6874 1 3 '15N/1H HSQC' . . . 6874 1 4 '15N/1H TOCSY-HSQC' . . . 6874 1 5 '15N/1H NOESY-HSQC' . . . 6874 1 6 '13C/1H HCCH-TOCSY' . . . 6874 1 7 '13C/1H HMQC-NOESY' . . . 6874 1 8 '15N/13C/1H HNCACB' . . . 6874 1 9 '15N/13C/1H CBCA(CO)NH' . . . 6874 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO CD C 13 50.2 0.000 . 1 . . . . . . . . 6874 1 2 . 1 1 2 2 PRO CA C 13 62.4 0.000 . 1 . . . . . . . . 6874 1 3 . 1 1 2 2 PRO HA H 1 4.72 0.002 . 1 . . . . . . . . 6874 1 4 . 1 1 2 2 PRO CB C 13 34.6 0.000 . 1 . . . . . . . . 6874 1 5 . 1 1 2 2 PRO HB2 H 1 2.43 0.001 . 2 . . . . . . . . 6874 1 6 . 1 1 2 2 PRO HB3 H 1 2.17 0.001 . 2 . . . . . . . . 6874 1 7 . 1 1 2 2 PRO CG C 13 24.6 0.000 . 1 . . . . . . . . 6874 1 8 . 1 1 2 2 PRO HG2 H 1 1.96 0.001 . 2 . . . . . . . . 6874 1 9 . 1 1 2 2 PRO HG3 H 1 1.86 0.001 . 2 . . . . . . . . 6874 1 10 . 1 1 2 2 PRO HD2 H 1 3.59 0.001 . 2 . . . . . . . . 6874 1 11 . 1 1 2 2 PRO HD3 H 1 3.56 0.000 . 2 . . . . . . . . 6874 1 12 . 1 1 3 3 ASN CA C 13 53.5 0.000 . 1 . . . . . . . . 6874 1 13 . 1 1 3 3 ASN HA H 1 4.76 0.002 . 1 . . . . . . . . 6874 1 14 . 1 1 3 3 ASN CB C 13 39.0 0.000 . 1 . . . . . . . . 6874 1 15 . 1 1 3 3 ASN HB2 H 1 2.88 0.011 . 2 . . . . . . . . 6874 1 16 . 1 1 3 3 ASN HB3 H 1 2.80 0.001 . 2 . . . . . . . . 6874 1 17 . 1 1 3 3 ASN ND2 N 15 112.7 0.000 . 1 . . . . . . . . 6874 1 18 . 1 1 3 3 ASN HD21 H 1 7.60 0.000 . 2 . . . . . . . . 6874 1 19 . 1 1 3 3 ASN HD22 H 1 6.94 0.000 . 2 . . . . . . . . 6874 1 20 . 1 1 4 4 ARG CA C 13 55.9 0.000 . 1 . . . . . . . . 6874 1 21 . 1 1 4 4 ARG HA H 1 4.43 0.001 . 1 . . . . . . . . 6874 1 22 . 1 1 4 4 ARG CB C 13 30.7 0.000 . 1 . . . . . . . . 6874 1 23 . 1 1 4 4 ARG HB2 H 1 1.92 0.001 . 2 . . . . . . . . 6874 1 24 . 1 1 4 4 ARG HB3 H 1 1.78 0.001 . 2 . . . . . . . . 6874 1 25 . 1 1 4 4 ARG CG C 13 27.2 0.000 . 1 . . . . . . . . 6874 1 26 . 1 1 4 4 ARG HG2 H 1 1.66 0.000 . 2 . . . . . . . . 6874 1 27 . 1 1 4 4 ARG HG3 H 1 1.65 0.000 . 2 . . . . . . . . 6874 1 28 . 1 1 4 4 ARG CD C 13 43.3 0.000 . 1 . . . . . . . . 6874 1 29 . 1 1 4 4 ARG HD2 H 1 3.22 0.001 . 1 . . . . . . . . 6874 1 30 . 1 1 4 4 ARG HD3 H 1 3.22 0.000 . 1 . . . . . . . . 6874 1 31 . 1 1 5 5 SER N N 15 117.6 0.000 . 1 . . . . . . . . 6874 1 32 . 1 1 5 5 SER H H 1 8.40 0.001 . 1 . . . . . . . . 6874 1 33 . 1 1 5 5 SER CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 1 34 . 1 1 5 5 SER HA H 1 4.55 0.000 . 1 . . . . . . . . 6874 1 35 . 1 1 5 5 SER CB C 13 64.2 0.000 . 1 . . . . . . . . 6874 1 36 . 1 1 5 5 SER HB2 H 1 3.89 0.000 . 2 . . . . . . . . 6874 1 37 . 1 1 5 5 SER HB3 H 1 3.86 0.000 . 2 . . . . . . . . 6874 1 38 . 1 1 6 6 ILE N N 15 123.5 0.000 . 1 . . . . . . . . 6874 1 39 . 1 1 6 6 ILE H H 1 8.46 0.001 . 1 . . . . . . . . 6874 1 40 . 1 1 6 6 ILE CA C 13 60.9 0.000 . 1 . . . . . . . . 6874 1 41 . 1 1 6 6 ILE HA H 1 4.08 0.001 . 1 . . . . . . . . 6874 1 42 . 1 1 6 6 ILE CB C 13 39.3 0.014 . 1 . . . . . . . . 6874 1 43 . 1 1 6 6 ILE HB H 1 1.75 0.001 . 1 . . . . . . . . 6874 1 44 . 1 1 6 6 ILE HG21 H 1 0.87 0.001 . 1 . . . . . . . . 6874 1 45 . 1 1 6 6 ILE HG22 H 1 0.87 0.001 . 1 . . . . . . . . 6874 1 46 . 1 1 6 6 ILE HG23 H 1 0.87 0.001 . 1 . . . . . . . . 6874 1 47 . 1 1 6 6 ILE CG2 C 13 18.0 0.000 . 1 . . . . . . . . 6874 1 48 . 1 1 6 6 ILE CG1 C 13 28.0 0.010 . 1 . . . . . . . . 6874 1 49 . 1 1 6 6 ILE HG12 H 1 1.59 0.003 . 2 . . . . . . . . 6874 1 50 . 1 1 6 6 ILE HG13 H 1 0.95 0.003 . 2 . . . . . . . . 6874 1 51 . 1 1 6 6 ILE HD11 H 1 0.82 0.001 . 1 . . . . . . . . 6874 1 52 . 1 1 6 6 ILE HD12 H 1 0.82 0.001 . 1 . . . . . . . . 6874 1 53 . 1 1 6 6 ILE HD13 H 1 0.82 0.001 . 1 . . . . . . . . 6874 1 54 . 1 1 6 6 ILE CD1 C 13 13.5 0.000 . 1 . . . . . . . . 6874 1 55 . 1 1 7 7 SER N N 15 122.6 0.000 . 1 . . . . . . . . 6874 1 56 . 1 1 7 7 SER H H 1 8.46 0.000 . 1 . . . . . . . . 6874 1 57 . 1 1 7 7 SER CA C 13 55.2 0.000 . 1 . . . . . . . . 6874 1 58 . 1 1 7 7 SER HA H 1 4.80 0.000 . 1 . . . . . . . . 6874 1 59 . 1 1 7 7 SER CB C 13 63.4 0.000 . 1 . . . . . . . . 6874 1 60 . 1 1 7 7 SER HB2 H 1 4.07 0.003 . 2 . . . . . . . . 6874 1 61 . 1 1 7 7 SER HB3 H 1 3.89 0.000 . 2 . . . . . . . . 6874 1 62 . 1 1 8 8 PRO CD C 13 51.0 0.000 . 1 . . . . . . . . 6874 1 63 . 1 1 8 8 PRO CA C 13 65.0 0.000 . 1 . . . . . . . . 6874 1 64 . 1 1 8 8 PRO HA H 1 4.29 0.001 . 1 . . . . . . . . 6874 1 65 . 1 1 8 8 PRO CB C 13 32.0 0.000 . 1 . . . . . . . . 6874 1 66 . 1 1 8 8 PRO HB2 H 1 2.34 0.001 . 2 . . . . . . . . 6874 1 67 . 1 1 8 8 PRO HB3 H 1 2.02 0.002 . 2 . . . . . . . . 6874 1 68 . 1 1 8 8 PRO CG C 13 27.7 0.000 . 1 . . . . . . . . 6874 1 69 . 1 1 8 8 PRO HG2 H 1 2.21 0.001 . 2 . . . . . . . . 6874 1 70 . 1 1 8 8 PRO HG3 H 1 2.02 0.002 . 2 . . . . . . . . 6874 1 71 . 1 1 8 8 PRO HD2 H 1 4.11 0.001 . 2 . . . . . . . . 6874 1 72 . 1 1 8 8 PRO HD3 H 1 3.96 0.002 . 2 . . . . . . . . 6874 1 73 . 1 1 9 9 SER N N 15 113.7 0.000 . 1 . . . . . . . . 6874 1 74 . 1 1 9 9 SER H H 1 8.08 0.001 . 1 . . . . . . . . 6874 1 75 . 1 1 9 9 SER CA C 13 60.2 0.000 . 1 . . . . . . . . 6874 1 76 . 1 1 9 9 SER HA H 1 4.26 0.001 . 1 . . . . . . . . 6874 1 77 . 1 1 9 9 SER CB C 13 62.4 0.000 . 1 . . . . . . . . 6874 1 78 . 1 1 9 9 SER HB2 H 1 3.93 0.003 . 2 . . . . . . . . 6874 1 79 . 1 1 9 9 SER HB3 H 1 3.85 0.001 . 2 . . . . . . . . 6874 1 80 . 1 1 10 10 ALA N N 15 126.3 0.000 . 1 . . . . . . . . 6874 1 81 . 1 1 10 10 ALA H H 1 7.83 0.001 . 1 . . . . . . . . 6874 1 82 . 1 1 10 10 ALA CA C 13 54.8 0.000 . 1 . . . . . . . . 6874 1 83 . 1 1 10 10 ALA HA H 1 4.24 0.001 . 1 . . . . . . . . 6874 1 84 . 1 1 10 10 ALA HB1 H 1 1.42 0.002 . 1 . . . . . . . . 6874 1 85 . 1 1 10 10 ALA HB2 H 1 1.42 0.002 . 1 . . . . . . . . 6874 1 86 . 1 1 10 10 ALA HB3 H 1 1.42 0.002 . 1 . . . . . . . . 6874 1 87 . 1 1 10 10 ALA CB C 13 18.6 0.000 . 1 . . . . . . . . 6874 1 88 . 1 1 11 11 LEU N N 15 118.3 0.000 . 1 . . . . . . . . 6874 1 89 . 1 1 11 11 LEU H H 1 7.86 0.000 . 1 . . . . . . . . 6874 1 90 . 1 1 11 11 LEU CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 1 91 . 1 1 11 11 LEU HA H 1 3.93 0.000 . 1 . . . . . . . . 6874 1 92 . 1 1 11 11 LEU CB C 13 41.5 0.000 . 1 . . . . . . . . 6874 1 93 . 1 1 11 11 LEU HB2 H 1 1.77 0.006 . 2 . . . . . . . . 6874 1 94 . 1 1 11 11 LEU HB3 H 1 1.61 0.001 . 2 . . . . . . . . 6874 1 95 . 1 1 11 11 LEU HD11 H 1 0.90 0.003 . 2 . . . . . . . . 6874 1 96 . 1 1 11 11 LEU HD12 H 1 0.90 0.003 . 2 . . . . . . . . 6874 1 97 . 1 1 11 11 LEU HD13 H 1 0.90 0.003 . 2 . . . . . . . . 6874 1 98 . 1 1 11 11 LEU HD21 H 1 0.86 0.003 . 2 . . . . . . . . 6874 1 99 . 1 1 11 11 LEU HD22 H 1 0.86 0.003 . 2 . . . . . . . . 6874 1 100 . 1 1 11 11 LEU HD23 H 1 0.86 0.003 . 2 . . . . . . . . 6874 1 101 . 1 1 11 11 LEU CD1 C 13 25.9 0.000 . 1 . . . . . . . . 6874 1 102 . 1 1 11 11 LEU CD2 C 13 25.9 0.000 . 1 . . . . . . . . 6874 1 103 . 1 1 12 12 GLN N N 15 118.1 0.000 . 1 . . . . . . . . 6874 1 104 . 1 1 12 12 GLN H H 1 8.16 0.000 . 1 . . . . . . . . 6874 1 105 . 1 1 12 12 GLN CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1 106 . 1 1 12 12 GLN HA H 1 3.93 0.002 . 1 . . . . . . . . 6874 1 107 . 1 1 12 12 GLN CB C 13 28.0 0.000 . 1 . . . . . . . . 6874 1 108 . 1 1 12 12 GLN HB2 H 1 2.18 0.002 . 2 . . . . . . . . 6874 1 109 . 1 1 12 12 GLN HB3 H 1 2.12 0.004 . 2 . . . . . . . . 6874 1 110 . 1 1 12 12 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 1 111 . 1 1 12 12 GLN HG2 H 1 2.43 0.000 . 1 . . . . . . . . 6874 1 112 . 1 1 12 12 GLN HG3 H 1 2.43 0.000 . 1 . . . . . . . . 6874 1 113 . 1 1 13 13 ASP N N 15 121.2 0.000 . 1 . . . . . . . . 6874 1 114 . 1 1 13 13 ASP H H 1 8.27 0.000 . 1 . . . . . . . . 6874 1 115 . 1 1 13 13 ASP CA C 13 57.2 0.000 . 1 . . . . . . . . 6874 1 116 . 1 1 13 13 ASP HA H 1 4.41 0.001 . 1 . . . . . . . . 6874 1 117 . 1 1 13 13 ASP CB C 13 40.1 0.000 . 1 . . . . . . . . 6874 1 118 . 1 1 13 13 ASP HB2 H 1 2.84 0.001 . 2 . . . . . . . . 6874 1 119 . 1 1 13 13 ASP HB3 H 1 2.60 0.000 . 2 . . . . . . . . 6874 1 120 . 1 1 14 14 LEU N N 15 123.5 0.000 . 1 . . . . . . . . 6874 1 121 . 1 1 14 14 LEU H H 1 8.60 0.000 . 1 . . . . . . . . 6874 1 122 . 1 1 14 14 LEU CA C 13 58.2 0.024 . 1 . . . . . . . . 6874 1 123 . 1 1 14 14 LEU HA H 1 3.94 0.000 . 1 . . . . . . . . 6874 1 124 . 1 1 14 14 LEU CB C 13 41.1 0.011 . 1 . . . . . . . . 6874 1 125 . 1 1 14 14 LEU HD11 H 1 0.92 0.000 . 2 . . . . . . . . 6874 1 126 . 1 1 14 14 LEU HD12 H 1 0.92 0.000 . 2 . . . . . . . . 6874 1 127 . 1 1 14 14 LEU HD13 H 1 0.92 0.000 . 2 . . . . . . . . 6874 1 128 . 1 1 14 14 LEU CD1 C 13 24.3 0.000 . 1 . . . . . . . . 6874 1 129 . 1 1 15 15 LEU N N 15 119.3 0.000 . 1 . . . . . . . . 6874 1 130 . 1 1 15 15 LEU H H 1 8.42 0.000 . 1 . . . . . . . . 6874 1 131 . 1 1 15 15 LEU CA C 13 58.4 0.000 . 1 . . . . . . . . 6874 1 132 . 1 1 15 15 LEU HA H 1 3.64 0.001 . 1 . . . . . . . . 6874 1 133 . 1 1 15 15 LEU CB C 13 41.1 0.085 . 1 . . . . . . . . 6874 1 134 . 1 1 15 15 LEU HB2 H 1 1.76 0.002 . 2 . . . . . . . . 6874 1 135 . 1 1 15 15 LEU HB3 H 1 1.27 0.003 . 2 . . . . . . . . 6874 1 136 . 1 1 15 15 LEU CG C 13 27.1 0.000 . 1 . . . . . . . . 6874 1 137 . 1 1 15 15 LEU HG H 1 1.63 0.001 . 1 . . . . . . . . 6874 1 138 . 1 1 15 15 LEU HD11 H 1 0.77 0.002 . 2 . . . . . . . . 6874 1 139 . 1 1 15 15 LEU HD12 H 1 0.77 0.002 . 2 . . . . . . . . 6874 1 140 . 1 1 15 15 LEU HD13 H 1 0.77 0.002 . 2 . . . . . . . . 6874 1 141 . 1 1 15 15 LEU HD21 H 1 0.58 0.001 . 2 . . . . . . . . 6874 1 142 . 1 1 15 15 LEU HD22 H 1 0.58 0.001 . 2 . . . . . . . . 6874 1 143 . 1 1 15 15 LEU HD23 H 1 0.58 0.001 . 2 . . . . . . . . 6874 1 144 . 1 1 15 15 LEU CD1 C 13 25.3 0.000 . 1 . . . . . . . . 6874 1 145 . 1 1 15 15 LEU CD2 C 13 22.9 0.000 . 1 . . . . . . . . 6874 1 146 . 1 1 16 16 ARG N N 15 117.6 0.000 . 1 . . . . . . . . 6874 1 147 . 1 1 16 16 ARG H H 1 8.05 0.001 . 1 . . . . . . . . 6874 1 148 . 1 1 16 16 ARG CA C 13 59.3 0.027 . 1 . . . . . . . . 6874 1 149 . 1 1 16 16 ARG HA H 1 3.90 0.002 . 1 . . . . . . . . 6874 1 150 . 1 1 16 16 ARG CB C 13 30.2 0.000 . 1 . . . . . . . . 6874 1 151 . 1 1 16 16 ARG HB2 H 1 1.93 0.005 . 1 . . . . . . . . 6874 1 152 . 1 1 16 16 ARG HB3 H 1 1.93 0.000 . 1 . . . . . . . . 6874 1 153 . 1 1 16 16 ARG CG C 13 27.7 0.000 . 1 . . . . . . . . 6874 1 154 . 1 1 16 16 ARG HG2 H 1 1.73 0.003 . 2 . . . . . . . . 6874 1 155 . 1 1 16 16 ARG HG3 H 1 1.58 0.002 . 2 . . . . . . . . 6874 1 156 . 1 1 16 16 ARG CD C 13 43.0 0.000 . 1 . . . . . . . . 6874 1 157 . 1 1 16 16 ARG HD2 H 1 3.25 0.000 . 2 . . . . . . . . 6874 1 158 . 1 1 16 16 ARG HD3 H 1 3.23 0.003 . 2 . . . . . . . . 6874 1 159 . 1 1 17 17 THR N N 15 116.5 0.000 . 1 . . . . . . . . 6874 1 160 . 1 1 17 17 THR H H 1 7.99 0.001 . 1 . . . . . . . . 6874 1 161 . 1 1 17 17 THR CA C 13 66.5 0.000 . 1 . . . . . . . . 6874 1 162 . 1 1 17 17 THR HA H 1 3.94 0.001 . 1 . . . . . . . . 6874 1 163 . 1 1 17 17 THR CB C 13 68.4 0.054 . 1 . . . . . . . . 6874 1 164 . 1 1 17 17 THR HB H 1 4.16 0.000 . 1 . . . . . . . . 6874 1 165 . 1 1 17 17 THR HG21 H 1 1.24 0.000 . 1 . . . . . . . . 6874 1 166 . 1 1 17 17 THR HG22 H 1 1.24 0.000 . 1 . . . . . . . . 6874 1 167 . 1 1 17 17 THR HG23 H 1 1.24 0.000 . 1 . . . . . . . . 6874 1 168 . 1 1 17 17 THR CG2 C 13 23.2 0.000 . 1 . . . . . . . . 6874 1 169 . 1 1 18 18 LEU N N 15 122.6 0.000 . 1 . . . . . . . . 6874 1 170 . 1 1 18 18 LEU H H 1 8.55 0.000 . 1 . . . . . . . . 6874 1 171 . 1 1 18 18 LEU CA C 13 57.1 0.000 . 1 . . . . . . . . 6874 1 172 . 1 1 18 18 LEU HA H 1 3.94 0.002 . 1 . . . . . . . . 6874 1 173 . 1 1 18 18 LEU CB C 13 42.1 0.000 . 1 . . . . . . . . 6874 1 174 . 1 1 18 18 LEU HB2 H 1 1.78 0.000 . 2 . . . . . . . . 6874 1 175 . 1 1 18 18 LEU HB3 H 1 1.39 0.003 . 2 . . . . . . . . 6874 1 176 . 1 1 18 18 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 1 177 . 1 1 18 18 LEU HG H 1 1.77 0.006 . 1 . . . . . . . . 6874 1 178 . 1 1 18 18 LEU HD11 H 1 0.82 0.001 . 2 . . . . . . . . 6874 1 179 . 1 1 18 18 LEU HD12 H 1 0.82 0.001 . 2 . . . . . . . . 6874 1 180 . 1 1 18 18 LEU HD13 H 1 0.82 0.001 . 2 . . . . . . . . 6874 1 181 . 1 1 18 18 LEU HD21 H 1 0.79 0.002 . 2 . . . . . . . . 6874 1 182 . 1 1 18 18 LEU HD22 H 1 0.79 0.002 . 2 . . . . . . . . 6874 1 183 . 1 1 18 18 LEU HD23 H 1 0.79 0.002 . 2 . . . . . . . . 6874 1 184 . 1 1 18 18 LEU CD1 C 13 26.2 0.000 . 1 . . . . . . . . 6874 1 185 . 1 1 18 18 LEU CD2 C 13 26.4 0.000 . 1 . . . . . . . . 6874 1 186 . 1 1 19 19 LYS N N 15 116.5 0.000 . 1 . . . . . . . . 6874 1 187 . 1 1 19 19 LYS H H 1 7.39 0.000 . 1 . . . . . . . . 6874 1 188 . 1 1 19 19 LYS CA C 13 57.0 0.080 . 1 . . . . . . . . 6874 1 189 . 1 1 19 19 LYS HA H 1 4.31 0.002 . 1 . . . . . . . . 6874 1 190 . 1 1 19 19 LYS CB C 13 32.7 0.000 . 1 . . . . . . . . 6874 1 191 . 1 1 19 19 LYS HB2 H 1 2.01 0.002 . 2 . . . . . . . . 6874 1 192 . 1 1 19 19 LYS HB3 H 1 1.76 0.001 . 2 . . . . . . . . 6874 1 193 . 1 1 19 19 LYS CG C 13 25.9 0.000 . 1 . . . . . . . . 6874 1 194 . 1 1 19 19 LYS HG2 H 1 1.51 0.002 . 2 . . . . . . . . 6874 1 195 . 1 1 19 19 LYS HG3 H 1 1.43 0.001 . 2 . . . . . . . . 6874 1 196 . 1 1 19 19 LYS CD C 13 29.3 0.000 . 1 . . . . . . . . 6874 1 197 . 1 1 19 19 LYS HD2 H 1 1.62 0.003 . 2 . . . . . . . . 6874 1 198 . 1 1 19 19 LYS HD3 H 1 1.61 0.002 . 2 . . . . . . . . 6874 1 199 . 1 1 19 19 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 1 200 . 1 1 19 19 LYS HE2 H 1 2.90 0.003 . 2 . . . . . . . . 6874 1 201 . 1 1 19 19 LYS HE3 H 1 2.79 0.004 . 2 . . . . . . . . 6874 1 202 . 1 1 20 20 SER N N 15 117.9 0.000 . 1 . . . . . . . . 6874 1 203 . 1 1 20 20 SER H H 1 7.41 0.000 . 1 . . . . . . . . 6874 1 204 . 1 1 20 20 SER CA C 13 58.0 0.000 . 1 . . . . . . . . 6874 1 205 . 1 1 20 20 SER HA H 1 4.74 0.000 . 1 . . . . . . . . 6874 1 206 . 1 1 20 20 SER CB C 13 62.7 0.000 . 1 . . . . . . . . 6874 1 207 . 1 1 20 20 SER HB2 H 1 4.10 0.000 . 2 . . . . . . . . 6874 1 208 . 1 1 20 20 SER HB3 H 1 4.02 0.001 . 2 . . . . . . . . 6874 1 209 . 1 1 21 21 PRO CD C 13 50.5 0.000 . 1 . . . . . . . . 6874 1 210 . 1 1 21 21 PRO CA C 13 63.0 0.000 . 1 . . . . . . . . 6874 1 211 . 1 1 21 21 PRO HA H 1 4.36 0.002 . 1 . . . . . . . . 6874 1 212 . 1 1 21 21 PRO CB C 13 32.0 0.000 . 1 . . . . . . . . 6874 1 213 . 1 1 21 21 PRO HB2 H 1 2.36 0.002 . 2 . . . . . . . . 6874 1 214 . 1 1 21 21 PRO HB3 H 1 1.83 0.002 . 2 . . . . . . . . 6874 1 215 . 1 1 21 21 PRO CG C 13 27.7 0.000 . 1 . . . . . . . . 6874 1 216 . 1 1 21 21 PRO HG2 H 1 2.11 0.002 . 2 . . . . . . . . 6874 1 217 . 1 1 21 21 PRO HG3 H 1 2.10 0.000 . 2 . . . . . . . . 6874 1 218 . 1 1 21 21 PRO HD2 H 1 3.91 0.004 . 2 . . . . . . . . 6874 1 219 . 1 1 21 21 PRO HD3 H 1 3.63 0.000 . 2 . . . . . . . . 6874 1 220 . 1 1 22 22 SER N N 15 117.4 0.000 . 1 . . . . . . . . 6874 1 221 . 1 1 22 22 SER H H 1 8.45 0.001 . 1 . . . . . . . . 6874 1 222 . 1 1 22 22 SER CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1 223 . 1 1 22 22 SER HA H 1 4.30 0.000 . 1 . . . . . . . . 6874 1 224 . 1 1 22 22 SER CB C 13 63.1 0.030 . 1 . . . . . . . . 6874 1 225 . 1 1 22 22 SER HB2 H 1 3.90 0.001 . 2 . . . . . . . . 6874 1 226 . 1 1 22 22 SER HB3 H 1 3.84 0.000 . 2 . . . . . . . . 6874 1 227 . 1 1 23 23 SER N N 15 119.8 0.000 . 1 . . . . . . . . 6874 1 228 . 1 1 23 23 SER H H 1 7.84 0.003 . 1 . . . . . . . . 6874 1 229 . 1 1 23 23 SER CA C 13 56.9 0.000 . 1 . . . . . . . . 6874 1 230 . 1 1 23 23 SER HA H 1 4.89 0.001 . 1 . . . . . . . . 6874 1 231 . 1 1 23 23 SER CB C 13 63.0 0.000 . 1 . . . . . . . . 6874 1 232 . 1 1 23 23 SER HB2 H 1 4.24 0.003 . 2 . . . . . . . . 6874 1 233 . 1 1 23 23 SER HB3 H 1 4.12 0.004 . 2 . . . . . . . . 6874 1 234 . 1 1 24 24 PRO CD C 13 50.5 0.000 . 1 . . . . . . . . 6874 1 235 . 1 1 24 24 PRO CA C 13 65.5 0.013 . 1 . . . . . . . . 6874 1 236 . 1 1 24 24 PRO HA H 1 4.39 0.001 . 1 . . . . . . . . 6874 1 237 . 1 1 24 24 PRO CB C 13 31.8 0.000 . 1 . . . . . . . . 6874 1 238 . 1 1 24 24 PRO HB2 H 1 2.46 0.001 . 2 . . . . . . . . 6874 1 239 . 1 1 24 24 PRO HB3 H 1 1.95 0.002 . 2 . . . . . . . . 6874 1 240 . 1 1 24 24 PRO CG C 13 28.0 0.000 . 1 . . . . . . . . 6874 1 241 . 1 1 24 24 PRO HG2 H 1 2.21 0.001 . 2 . . . . . . . . 6874 1 242 . 1 1 24 24 PRO HG3 H 1 2.06 0.000 . 2 . . . . . . . . 6874 1 243 . 1 1 24 24 PRO HD2 H 1 3.92 0.003 . 1 . . . . . . . . 6874 1 244 . 1 1 24 24 PRO HD3 H 1 3.92 0.000 . 1 . . . . . . . . 6874 1 245 . 1 1 25 25 GLN N N 15 117.2 0.000 . 1 . . . . . . . . 6874 1 246 . 1 1 25 25 GLN H H 1 8.24 0.000 . 1 . . . . . . . . 6874 1 247 . 1 1 25 25 GLN CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1 248 . 1 1 25 25 GLN HA H 1 4.11 0.002 . 1 . . . . . . . . 6874 1 249 . 1 1 25 25 GLN CB C 13 27.7 0.006 . 1 . . . . . . . . 6874 1 250 . 1 1 25 25 GLN HB2 H 1 2.11 0.001 . 2 . . . . . . . . 6874 1 251 . 1 1 25 25 GLN HB3 H 1 2.02 0.002 . 2 . . . . . . . . 6874 1 252 . 1 1 25 25 GLN CG C 13 34.2 0.000 . 1 . . . . . . . . 6874 1 253 . 1 1 25 25 GLN HG2 H 1 2.48 0.002 . 2 . . . . . . . . 6874 1 254 . 1 1 25 25 GLN HG3 H 1 2.41 0.000 . 2 . . . . . . . . 6874 1 255 . 1 1 26 26 GLN N N 15 124.4 0.000 . 1 . . . . . . . . 6874 1 256 . 1 1 26 26 GLN H H 1 8.05 0.000 . 1 . . . . . . . . 6874 1 257 . 1 1 26 26 GLN CA C 13 59.1 0.002 . 1 . . . . . . . . 6874 1 258 . 1 1 26 26 GLN CB C 13 27.1 0.020 . 1 . . . . . . . . 6874 1 259 . 1 1 27 27 GLN N N 15 119.5 0.000 . 1 . . . . . . . . 6874 1 260 . 1 1 27 27 GLN H H 1 8.33 0.000 . 1 . . . . . . . . 6874 1 261 . 1 1 27 27 GLN CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 1 262 . 1 1 27 27 GLN HA H 1 3.73 0.001 . 1 . . . . . . . . 6874 1 263 . 1 1 27 27 GLN CB C 13 28.0 0.000 . 1 . . . . . . . . 6874 1 264 . 1 1 27 27 GLN HB2 H 1 2.28 0.004 . 2 . . . . . . . . 6874 1 265 . 1 1 27 27 GLN HB3 H 1 1.95 0.001 . 2 . . . . . . . . 6874 1 266 . 1 1 27 27 GLN CG C 13 34.3 0.000 . 1 . . . . . . . . 6874 1 267 . 1 1 27 27 GLN HG2 H 1 2.59 0.001 . 2 . . . . . . . . 6874 1 268 . 1 1 27 27 GLN HG3 H 1 2.27 0.004 . 2 . . . . . . . . 6874 1 269 . 1 1 28 28 GLN N N 15 117.9 0.000 . 1 . . . . . . . . 6874 1 270 . 1 1 28 28 GLN H H 1 7.89 0.002 . 1 . . . . . . . . 6874 1 271 . 1 1 28 28 GLN CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 1 272 . 1 1 28 28 GLN HA H 1 3.93 0.001 . 1 . . . . . . . . 6874 1 273 . 1 1 28 28 GLN CB C 13 28.0 0.000 . 1 . . . . . . . . 6874 1 274 . 1 1 28 28 GLN HB2 H 1 2.17 0.002 . 1 . . . . . . . . 6874 1 275 . 1 1 28 28 GLN HB3 H 1 2.17 0.000 . 1 . . . . . . . . 6874 1 276 . 1 1 28 28 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 1 277 . 1 1 28 28 GLN HG2 H 1 2.44 0.003 . 2 . . . . . . . . 6874 1 278 . 1 1 28 28 GLN HG3 H 1 2.43 0.001 . 2 . . . . . . . . 6874 1 279 . 1 1 29 29 GLN N N 15 119.8 0.000 . 1 . . . . . . . . 6874 1 280 . 1 1 29 29 GLN H H 1 7.97 0.000 . 1 . . . . . . . . 6874 1 281 . 1 1 29 29 GLN CA C 13 59.1 0.000 . 1 . . . . . . . . 6874 1 282 . 1 1 29 29 GLN HA H 1 4.13 0.000 . 1 . . . . . . . . 6874 1 283 . 1 1 29 29 GLN CB C 13 28.3 0.000 . 1 . . . . . . . . 6874 1 284 . 1 1 29 29 GLN HB2 H 1 2.30 0.002 . 2 . . . . . . . . 6874 1 285 . 1 1 29 29 GLN HB3 H 1 2.11 0.000 . 2 . . . . . . . . 6874 1 286 . 1 1 29 29 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 1 287 . 1 1 29 29 GLN HG2 H 1 2.51 0.001 . 2 . . . . . . . . 6874 1 288 . 1 1 29 29 GLN HG3 H 1 2.41 0.000 . 2 . . . . . . . . 6874 1 289 . 1 1 30 30 VAL N N 15 120.0 0.000 . 1 . . . . . . . . 6874 1 290 . 1 1 30 30 VAL H H 1 8.14 0.001 . 1 . . . . . . . . 6874 1 291 . 1 1 30 30 VAL CA C 13 67.4 0.000 . 1 . . . . . . . . 6874 1 292 . 1 1 30 30 VAL HA H 1 3.31 0.001 . 1 . . . . . . . . 6874 1 293 . 1 1 30 30 VAL CB C 13 31.2 0.000 . 1 . . . . . . . . 6874 1 294 . 1 1 30 30 VAL HB H 1 2.24 0.001 . 1 . . . . . . . . 6874 1 295 . 1 1 30 30 VAL HG11 H 1 0.96 0.003 . 2 . . . . . . . . 6874 1 296 . 1 1 30 30 VAL HG12 H 1 0.96 0.003 . 2 . . . . . . . . 6874 1 297 . 1 1 30 30 VAL HG13 H 1 0.96 0.003 . 2 . . . . . . . . 6874 1 298 . 1 1 30 30 VAL HG21 H 1 0.66 0.002 . 2 . . . . . . . . 6874 1 299 . 1 1 30 30 VAL HG22 H 1 0.66 0.002 . 2 . . . . . . . . 6874 1 300 . 1 1 30 30 VAL HG23 H 1 0.66 0.002 . 2 . . . . . . . . 6874 1 301 . 1 1 30 30 VAL CG1 C 13 23.4 0.000 . 1 . . . . . . . . 6874 1 302 . 1 1 30 30 VAL CG2 C 13 21.5 0.000 . 1 . . . . . . . . 6874 1 303 . 1 1 31 31 LEU N N 15 119.0 0.000 . 1 . . . . . . . . 6874 1 304 . 1 1 31 31 LEU H H 1 8.00 0.000 . 1 . . . . . . . . 6874 1 305 . 1 1 31 31 LEU CA C 13 58.4 0.000 . 1 . . . . . . . . 6874 1 306 . 1 1 31 31 LEU HA H 1 3.76 0.001 . 1 . . . . . . . . 6874 1 307 . 1 1 31 31 LEU CB C 13 41.1 0.000 . 1 . . . . . . . . 6874 1 308 . 1 1 31 31 LEU HB2 H 1 1.75 0.002 . 2 . . . . . . . . 6874 1 309 . 1 1 31 31 LEU HB3 H 1 1.59 0.002 . 2 . . . . . . . . 6874 1 310 . 1 1 31 31 LEU HG H 1 1.68 0.004 . 1 . . . . . . . . 6874 1 311 . 1 1 31 31 LEU HD11 H 1 0.85 0.005 . 2 . . . . . . . . 6874 1 312 . 1 1 31 31 LEU HD12 H 1 0.85 0.005 . 2 . . . . . . . . 6874 1 313 . 1 1 31 31 LEU HD13 H 1 0.85 0.005 . 2 . . . . . . . . 6874 1 314 . 1 1 31 31 LEU HD21 H 1 0.83 0.001 . 2 . . . . . . . . 6874 1 315 . 1 1 31 31 LEU HD22 H 1 0.83 0.001 . 2 . . . . . . . . 6874 1 316 . 1 1 31 31 LEU HD23 H 1 0.83 0.001 . 2 . . . . . . . . 6874 1 317 . 1 1 31 31 LEU CD1 C 13 24.5 0.000 . 1 . . . . . . . . 6874 1 318 . 1 1 31 31 LEU CD2 C 13 24.3 0.000 . 1 . . . . . . . . 6874 1 319 . 1 1 32 32 ASN N N 15 117.2 0.000 . 1 . . . . . . . . 6874 1 320 . 1 1 32 32 ASN H H 1 8.34 0.001 . 1 . . . . . . . . 6874 1 321 . 1 1 32 32 ASN CA C 13 56.1 0.000 . 1 . . . . . . . . 6874 1 322 . 1 1 32 32 ASN HA H 1 4.37 0.001 . 1 . . . . . . . . 6874 1 323 . 1 1 32 32 ASN CB C 13 37.9 0.000 . 1 . . . . . . . . 6874 1 324 . 1 1 32 32 ASN HB2 H 1 2.93 0.002 . 2 . . . . . . . . 6874 1 325 . 1 1 32 32 ASN HB3 H 1 2.82 0.002 . 2 . . . . . . . . 6874 1 326 . 1 1 32 32 ASN ND2 N 15 111.5 0.000 . 1 . . . . . . . . 6874 1 327 . 1 1 32 32 ASN HD21 H 1 7.55 0.000 . 2 . . . . . . . . 6874 1 328 . 1 1 32 32 ASN HD22 H 1 6.96 0.000 . 2 . . . . . . . . 6874 1 329 . 1 1 33 33 ILE N N 15 122.3 0.000 . 1 . . . . . . . . 6874 1 330 . 1 1 33 33 ILE H H 1 8.03 0.001 . 1 . . . . . . . . 6874 1 331 . 1 1 33 33 ILE CA C 13 65.5 0.000 . 1 . . . . . . . . 6874 1 332 . 1 1 33 33 ILE HA H 1 3.69 0.001 . 1 . . . . . . . . 6874 1 333 . 1 1 33 33 ILE CB C 13 38.2 0.000 . 1 . . . . . . . . 6874 1 334 . 1 1 33 33 ILE HB H 1 1.86 0.002 . 1 . . . . . . . . 6874 1 335 . 1 1 33 33 ILE HG21 H 1 0.86 0.001 . 1 . . . . . . . . 6874 1 336 . 1 1 33 33 ILE HG22 H 1 0.86 0.001 . 1 . . . . . . . . 6874 1 337 . 1 1 33 33 ILE HG23 H 1 0.86 0.001 . 1 . . . . . . . . 6874 1 338 . 1 1 33 33 ILE CG2 C 13 18.0 0.000 . 1 . . . . . . . . 6874 1 339 . 1 1 33 33 ILE CG1 C 13 28.8 0.000 . 1 . . . . . . . . 6874 1 340 . 1 1 33 33 ILE HG12 H 1 1.03 0.003 . 2 . . . . . . . . 6874 1 341 . 1 1 33 33 ILE HG13 H 1 1.02 0.004 . 2 . . . . . . . . 6874 1 342 . 1 1 33 33 ILE HD11 H 1 0.73 0.001 . 1 . . . . . . . . 6874 1 343 . 1 1 33 33 ILE HD12 H 1 0.73 0.001 . 1 . . . . . . . . 6874 1 344 . 1 1 33 33 ILE HD13 H 1 0.73 0.001 . 1 . . . . . . . . 6874 1 345 . 1 1 33 33 ILE CD1 C 13 14.0 0.000 . 1 . . . . . . . . 6874 1 346 . 1 1 34 34 LEU N N 15 120.0 0.000 . 1 . . . . . . . . 6874 1 347 . 1 1 34 34 LEU H H 1 8.27 0.000 . 1 . . . . . . . . 6874 1 348 . 1 1 34 34 LEU CA C 13 58.4 0.000 . 1 . . . . . . . . 6874 1 349 . 1 1 34 34 LEU HA H 1 3.89 0.001 . 1 . . . . . . . . 6874 1 350 . 1 1 34 34 LEU CB C 13 40.9 0.000 . 1 . . . . . . . . 6874 1 351 . 1 1 34 34 LEU HB2 H 1 1.87 0.002 . 2 . . . . . . . . 6874 1 352 . 1 1 34 34 LEU HB3 H 1 1.34 0.001 . 2 . . . . . . . . 6874 1 353 . 1 1 34 34 LEU CG C 13 25.9 0.000 . 1 . . . . . . . . 6874 1 354 . 1 1 34 34 LEU HG H 1 1.78 0.003 . 1 . . . . . . . . 6874 1 355 . 1 1 34 34 LEU HD11 H 1 0.55 0.002 . 2 . . . . . . . . 6874 1 356 . 1 1 34 34 LEU HD12 H 1 0.55 0.002 . 2 . . . . . . . . 6874 1 357 . 1 1 34 34 LEU HD13 H 1 0.55 0.002 . 2 . . . . . . . . 6874 1 358 . 1 1 34 34 LEU HD21 H 1 0.25 0.002 . 2 . . . . . . . . 6874 1 359 . 1 1 34 34 LEU HD22 H 1 0.25 0.002 . 2 . . . . . . . . 6874 1 360 . 1 1 34 34 LEU HD23 H 1 0.25 0.002 . 2 . . . . . . . . 6874 1 361 . 1 1 34 34 LEU CD1 C 13 22.7 0.000 . 1 . . . . . . . . 6874 1 362 . 1 1 34 34 LEU CD2 C 13 25.9 0.000 . 1 . . . . . . . . 6874 1 363 . 1 1 35 35 LYS N N 15 116.5 0.000 . 1 . . . . . . . . 6874 1 364 . 1 1 35 35 LYS H H 1 8.67 0.000 . 1 . . . . . . . . 6874 1 365 . 1 1 35 35 LYS CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1 366 . 1 1 35 35 LYS HA H 1 3.94 0.002 . 1 . . . . . . . . 6874 1 367 . 1 1 35 35 LYS CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 1 368 . 1 1 35 35 LYS HB2 H 1 1.87 0.003 . 1 . . . . . . . . 6874 1 369 . 1 1 35 35 LYS HB3 H 1 1.87 0.000 . 1 . . . . . . . . 6874 1 370 . 1 1 35 35 LYS CG C 13 25.9 0.000 . 1 . . . . . . . . 6874 1 371 . 1 1 35 35 LYS HG2 H 1 1.61 0.001 . 2 . . . . . . . . 6874 1 372 . 1 1 35 35 LYS HG3 H 1 1.40 0.002 . 2 . . . . . . . . 6874 1 373 . 1 1 35 35 LYS CD C 13 29.3 0.000 . 1 . . . . . . . . 6874 1 374 . 1 1 35 35 LYS HD2 H 1 1.64 0.002 . 2 . . . . . . . . 6874 1 375 . 1 1 35 35 LYS HD3 H 1 1.65 0.000 . 2 . . . . . . . . 6874 1 376 . 1 1 35 35 LYS CE C 13 41.8 0.055 . 1 . . . . . . . . 6874 1 377 . 1 1 35 35 LYS HE2 H 1 2.90 0.003 . 1 . . . . . . . . 6874 1 378 . 1 1 35 35 LYS HE3 H 1 2.90 0.001 . 1 . . . . . . . . 6874 1 379 . 1 1 36 36 SER N N 15 111.8 0.000 . 1 . . . . . . . . 6874 1 380 . 1 1 36 36 SER H H 1 7.49 0.000 . 1 . . . . . . . . 6874 1 381 . 1 1 36 36 SER CA C 13 59.4 0.000 . 1 . . . . . . . . 6874 1 382 . 1 1 36 36 SER HA H 1 4.50 0.000 . 1 . . . . . . . . 6874 1 383 . 1 1 36 36 SER CB C 13 64.2 0.000 . 1 . . . . . . . . 6874 1 384 . 1 1 36 36 SER HB2 H 1 4.00 0.000 . 1 . . . . . . . . 6874 1 385 . 1 1 36 36 SER HB3 H 1 4.00 0.000 . 1 . . . . . . . . 6874 1 386 . 1 1 37 37 ASN N N 15 118.8 0.000 . 1 . . . . . . . . 6874 1 387 . 1 1 37 37 ASN H H 1 7.36 0.000 . 1 . . . . . . . . 6874 1 388 . 1 1 37 37 ASN CA C 13 51.5 0.000 . 1 . . . . . . . . 6874 1 389 . 1 1 37 37 ASN HA H 1 5.33 0.001 . 1 . . . . . . . . 6874 1 390 . 1 1 37 37 ASN CB C 13 41.4 0.000 . 1 . . . . . . . . 6874 1 391 . 1 1 37 37 ASN HB2 H 1 2.79 0.003 . 2 . . . . . . . . 6874 1 392 . 1 1 37 37 ASN HB3 H 1 2.59 0.002 . 2 . . . . . . . . 6874 1 393 . 1 1 38 38 PRO CD C 13 50.5 0.000 . 1 . . . . . . . . 6874 1 394 . 1 1 38 38 PRO CA C 13 65.8 0.000 . 1 . . . . . . . . 6874 1 395 . 1 1 38 38 PRO HA H 1 4.41 0.002 . 1 . . . . . . . . 6874 1 396 . 1 1 38 38 PRO CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 1 397 . 1 1 38 38 PRO HB2 H 1 2.42 0.005 . 2 . . . . . . . . 6874 1 398 . 1 1 38 38 PRO HB3 H 1 2.00 0.002 . 2 . . . . . . . . 6874 1 399 . 1 1 38 38 PRO CG C 13 27.5 0.027 . 1 . . . . . . . . 6874 1 400 . 1 1 38 38 PRO HG2 H 1 2.16 0.002 . 2 . . . . . . . . 6874 1 401 . 1 1 38 38 PRO HG3 H 1 2.07 0.001 . 2 . . . . . . . . 6874 1 402 . 1 1 38 38 PRO HD2 H 1 3.92 0.003 . 2 . . . . . . . . 6874 1 403 . 1 1 38 38 PRO HD3 H 1 3.62 0.002 . 2 . . . . . . . . 6874 1 404 . 1 1 39 39 GLN N N 15 118.3 0.000 . 1 . . . . . . . . 6874 1 405 . 1 1 39 39 GLN H H 1 8.97 0.000 . 1 . . . . . . . . 6874 1 406 . 1 1 39 39 GLN CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 1 407 . 1 1 39 39 GLN HA H 1 4.21 0.001 . 1 . . . . . . . . 6874 1 408 . 1 1 39 39 GLN CB C 13 28.3 0.000 . 1 . . . . . . . . 6874 1 409 . 1 1 39 39 GLN HB2 H 1 2.11 0.001 . 2 . . . . . . . . 6874 1 410 . 1 1 39 39 GLN HB3 H 1 2.05 0.002 . 2 . . . . . . . . 6874 1 411 . 1 1 39 39 GLN CG C 13 34.2 0.000 . 1 . . . . . . . . 6874 1 412 . 1 1 39 39 GLN HG2 H 1 2.47 0.002 . 2 . . . . . . . . 6874 1 413 . 1 1 39 39 GLN HG3 H 1 2.42 0.002 . 2 . . . . . . . . 6874 1 414 . 1 1 40 40 LEU N N 15 121.9 0.000 . 1 . . . . . . . . 6874 1 415 . 1 1 40 40 LEU H H 1 7.85 0.000 . 1 . . . . . . . . 6874 1 416 . 1 1 40 40 LEU CA C 13 56.9 0.000 . 1 . . . . . . . . 6874 1 417 . 1 1 40 40 LEU HA H 1 4.21 0.003 . 1 . . . . . . . . 6874 1 418 . 1 1 40 40 LEU CB C 13 41.7 0.000 . 1 . . . . . . . . 6874 1 419 . 1 1 40 40 LEU HB2 H 1 1.77 0.012 . 2 . . . . . . . . 6874 1 420 . 1 1 40 40 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 1 421 . 1 1 40 40 LEU HG H 1 1.66 0.000 . 1 . . . . . . . . 6874 1 422 . 1 1 40 40 LEU HD11 H 1 0.87 0.000 . 2 . . . . . . . . 6874 1 423 . 1 1 40 40 LEU HD12 H 1 0.87 0.000 . 2 . . . . . . . . 6874 1 424 . 1 1 40 40 LEU HD13 H 1 0.87 0.000 . 2 . . . . . . . . 6874 1 425 . 1 1 40 40 LEU HD21 H 1 0.81 0.002 . 2 . . . . . . . . 6874 1 426 . 1 1 40 40 LEU HD22 H 1 0.81 0.002 . 2 . . . . . . . . 6874 1 427 . 1 1 40 40 LEU HD23 H 1 0.81 0.002 . 2 . . . . . . . . 6874 1 428 . 1 1 40 40 LEU CD2 C 13 24.8 0.000 . 1 . . . . . . . . 6874 1 429 . 1 1 41 41 MET N N 15 119.8 0.000 . 1 . . . . . . . . 6874 1 430 . 1 1 41 41 MET H H 1 8.21 0.000 . 1 . . . . . . . . 6874 1 431 . 1 1 42 42 ALA N N 15 120.0 0.000 . 1 . . . . . . . . 6874 1 432 . 1 1 42 42 ALA H H 1 8.17 0.001 . 1 . . . . . . . . 6874 1 433 . 1 1 42 42 ALA CA C 13 55.2 0.000 . 1 . . . . . . . . 6874 1 434 . 1 1 42 42 ALA HA H 1 4.04 0.000 . 1 . . . . . . . . 6874 1 435 . 1 1 42 42 ALA HB1 H 1 1.51 0.002 . 1 . . . . . . . . 6874 1 436 . 1 1 42 42 ALA HB2 H 1 1.51 0.002 . 1 . . . . . . . . 6874 1 437 . 1 1 42 42 ALA HB3 H 1 1.51 0.002 . 1 . . . . . . . . 6874 1 438 . 1 1 42 42 ALA CB C 13 18.1 0.000 . 1 . . . . . . . . 6874 1 439 . 1 1 43 43 ALA N N 15 120.9 0.000 . 1 . . . . . . . . 6874 1 440 . 1 1 43 43 ALA H H 1 7.55 0.000 . 1 . . . . . . . . 6874 1 441 . 1 1 43 43 ALA CA C 13 54.9 0.000 . 1 . . . . . . . . 6874 1 442 . 1 1 43 43 ALA HA H 1 4.13 0.000 . 1 . . . . . . . . 6874 1 443 . 1 1 43 43 ALA HB1 H 1 1.52 0.000 . 1 . . . . . . . . 6874 1 444 . 1 1 43 43 ALA HB2 H 1 1.52 0.000 . 1 . . . . . . . . 6874 1 445 . 1 1 43 43 ALA HB3 H 1 1.52 0.000 . 1 . . . . . . . . 6874 1 446 . 1 1 43 43 ALA CB C 13 18.1 0.000 . 1 . . . . . . . . 6874 1 447 . 1 1 44 44 PHE N N 15 120.5 0.000 . 1 . . . . . . . . 6874 1 448 . 1 1 44 44 PHE H H 1 8.58 0.000 . 1 . . . . . . . . 6874 1 449 . 1 1 44 44 PHE CA C 13 62.3 0.000 . 1 . . . . . . . . 6874 1 450 . 1 1 44 44 PHE HA H 1 3.87 0.000 . 1 . . . . . . . . 6874 1 451 . 1 1 44 44 PHE CB C 13 40.2 0.000 . 1 . . . . . . . . 6874 1 452 . 1 1 44 44 PHE HB2 H 1 3.44 0.000 . 2 . . . . . . . . 6874 1 453 . 1 1 44 44 PHE HB3 H 1 2.98 0.002 . 2 . . . . . . . . 6874 1 454 . 1 1 44 44 PHE HD1 H 1 6.98 0.000 . 1 . . . . . . . . 6874 1 455 . 1 1 44 44 PHE HD2 H 1 6.98 0.000 . 1 . . . . . . . . 6874 1 456 . 1 1 44 44 PHE HE1 H 1 7.20 0.001 . 1 . . . . . . . . 6874 1 457 . 1 1 44 44 PHE HE2 H 1 7.20 0.001 . 1 . . . . . . . . 6874 1 458 . 1 1 45 45 ILE N N 15 118.8 0.000 . 1 . . . . . . . . 6874 1 459 . 1 1 45 45 ILE H H 1 8.80 0.001 . 1 . . . . . . . . 6874 1 460 . 1 1 45 45 ILE CA C 13 65.8 0.000 . 1 . . . . . . . . 6874 1 461 . 1 1 45 45 ILE HA H 1 3.46 0.001 . 1 . . . . . . . . 6874 1 462 . 1 1 45 45 ILE CB C 13 37.9 0.000 . 1 . . . . . . . . 6874 1 463 . 1 1 45 45 ILE HB H 1 1.96 0.008 . 1 . . . . . . . . 6874 1 464 . 1 1 45 45 ILE HG21 H 1 0.85 0.001 . 1 . . . . . . . . 6874 1 465 . 1 1 45 45 ILE HG22 H 1 0.85 0.001 . 1 . . . . . . . . 6874 1 466 . 1 1 45 45 ILE HG23 H 1 0.85 0.001 . 1 . . . . . . . . 6874 1 467 . 1 1 45 45 ILE CG2 C 13 17.5 0.064 . 1 . . . . . . . . 6874 1 468 . 1 1 45 45 ILE CG1 C 13 29.9 0.013 . 1 . . . . . . . . 6874 1 469 . 1 1 45 45 ILE HG12 H 1 1.13 0.001 . 1 . . . . . . . . 6874 1 470 . 1 1 45 45 ILE HG13 H 1 1.13 0.001 . 1 . . . . . . . . 6874 1 471 . 1 1 45 45 ILE HD11 H 1 0.91 0.003 . 1 . . . . . . . . 6874 1 472 . 1 1 45 45 ILE HD12 H 1 0.91 0.003 . 1 . . . . . . . . 6874 1 473 . 1 1 45 45 ILE HD13 H 1 0.91 0.003 . 1 . . . . . . . . 6874 1 474 . 1 1 45 45 ILE CD1 C 13 13.8 0.000 . 1 . . . . . . . . 6874 1 475 . 1 1 46 46 LYS N N 15 121.6 0.000 . 1 . . . . . . . . 6874 1 476 . 1 1 46 46 LYS H H 1 8.14 0.003 . 1 . . . . . . . . 6874 1 477 . 1 1 46 46 LYS CA C 13 59.9 0.000 . 1 . . . . . . . . 6874 1 478 . 1 1 46 46 LYS HA H 1 3.93 0.003 . 1 . . . . . . . . 6874 1 479 . 1 1 46 46 LYS CB C 13 32.2 0.096 . 1 . . . . . . . . 6874 1 480 . 1 1 46 46 LYS HB2 H 1 1.94 0.002 . 2 . . . . . . . . 6874 1 481 . 1 1 46 46 LYS HB3 H 1 1.87 0.000 . 2 . . . . . . . . 6874 1 482 . 1 1 46 46 LYS CG C 13 25.1 0.000 . 1 . . . . . . . . 6874 1 483 . 1 1 46 46 LYS HG2 H 1 1.52 0.004 . 2 . . . . . . . . 6874 1 484 . 1 1 46 46 LYS HG3 H 1 1.38 0.003 . 2 . . . . . . . . 6874 1 485 . 1 1 46 46 LYS CD C 13 29.3 0.000 . 1 . . . . . . . . 6874 1 486 . 1 1 46 46 LYS HD2 H 1 1.68 0.002 . 2 . . . . . . . . 6874 1 487 . 1 1 46 46 LYS HD3 H 1 1.66 0.000 . 2 . . . . . . . . 6874 1 488 . 1 1 46 46 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 1 489 . 1 1 46 46 LYS HE2 H 1 2.94 0.002 . 1 . . . . . . . . 6874 1 490 . 1 1 46 46 LYS HE3 H 1 2.94 0.000 . 1 . . . . . . . . 6874 1 491 . 1 1 47 47 GLN N N 15 117.6 0.000 . 1 . . . . . . . . 6874 1 492 . 1 1 47 47 GLN H H 1 7.66 0.000 . 1 . . . . . . . . 6874 1 493 . 1 1 47 47 GLN CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 1 494 . 1 1 47 47 GLN HA H 1 4.04 0.002 . 1 . . . . . . . . 6874 1 495 . 1 1 47 47 GLN CB C 13 27.1 0.000 . 1 . . . . . . . . 6874 1 496 . 1 1 47 47 GLN HB2 H 1 2.11 0.001 . 2 . . . . . . . . 6874 1 497 . 1 1 47 47 GLN HB3 H 1 1.88 0.000 . 2 . . . . . . . . 6874 1 498 . 1 1 47 47 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 1 499 . 1 1 47 47 GLN HG2 H 1 2.46 0.002 . 2 . . . . . . . . 6874 1 500 . 1 1 47 47 GLN HG3 H 1 2.22 0.002 . 2 . . . . . . . . 6874 1 501 . 1 1 48 48 ARG N N 15 117.4 0.000 . 1 . . . . . . . . 6874 1 502 . 1 1 48 48 ARG H H 1 8.14 0.002 . 1 . . . . . . . . 6874 1 503 . 1 1 48 48 ARG CA C 13 56.4 0.000 . 1 . . . . . . . . 6874 1 504 . 1 1 48 48 ARG HA H 1 4.30 0.000 . 1 . . . . . . . . 6874 1 505 . 1 1 48 48 ARG CB C 13 28.8 0.000 . 1 . . . . . . . . 6874 1 506 . 1 1 48 48 ARG HB2 H 1 1.66 0.005 . 2 . . . . . . . . 6874 1 507 . 1 1 48 48 ARG HB3 H 1 1.67 0.000 . 2 . . . . . . . . 6874 1 508 . 1 1 48 48 ARG CG C 13 25.1 0.000 . 1 . . . . . . . . 6874 1 509 . 1 1 48 48 ARG HG2 H 1 1.49 0.000 . 2 . . . . . . . . 6874 1 510 . 1 1 48 48 ARG HG3 H 1 1.42 0.002 . 2 . . . . . . . . 6874 1 511 . 1 1 48 48 ARG CD C 13 41.9 0.000 . 1 . . . . . . . . 6874 1 512 . 1 1 48 48 ARG HD2 H 1 2.97 0.003 . 1 . . . . . . . . 6874 1 513 . 1 1 48 48 ARG HD3 H 1 2.97 0.000 . 1 . . . . . . . . 6874 1 514 . 1 1 49 49 THR N N 15 110.6 0.000 . 1 . . . . . . . . 6874 1 515 . 1 1 49 49 THR H H 1 8.18 0.000 . 1 . . . . . . . . 6874 1 516 . 1 1 49 49 THR CA C 13 64.4 0.000 . 1 . . . . . . . . 6874 1 517 . 1 1 49 49 THR HA H 1 4.11 0.001 . 1 . . . . . . . . 6874 1 518 . 1 1 49 49 THR CB C 13 69.3 0.013 . 1 . . . . . . . . 6874 1 519 . 1 1 49 49 THR HB H 1 4.31 0.003 . 1 . . . . . . . . 6874 1 520 . 1 1 49 49 THR HG21 H 1 1.22 0.001 . 1 . . . . . . . . 6874 1 521 . 1 1 49 49 THR HG22 H 1 1.22 0.001 . 1 . . . . . . . . 6874 1 522 . 1 1 49 49 THR HG23 H 1 1.22 0.001 . 1 . . . . . . . . 6874 1 523 . 1 1 49 49 THR CG2 C 13 21.8 0.000 . 1 . . . . . . . . 6874 1 524 . 1 1 50 50 ALA N N 15 124.2 0.000 . 1 . . . . . . . . 6874 1 525 . 1 1 50 50 ALA H H 1 7.46 0.001 . 1 . . . . . . . . 6874 1 526 . 1 1 50 50 ALA CA C 13 54.5 0.000 . 1 . . . . . . . . 6874 1 527 . 1 1 50 50 ALA HA H 1 4.16 0.000 . 1 . . . . . . . . 6874 1 528 . 1 1 50 50 ALA HB1 H 1 1.46 0.000 . 1 . . . . . . . . 6874 1 529 . 1 1 50 50 ALA HB2 H 1 1.46 0.000 . 1 . . . . . . . . 6874 1 530 . 1 1 50 50 ALA HB3 H 1 1.46 0.000 . 1 . . . . . . . . 6874 1 531 . 1 1 50 50 ALA CB C 13 18.0 0.000 . 1 . . . . . . . . 6874 1 532 . 1 1 51 51 LYS N N 15 117.4 0.000 . 1 . . . . . . . . 6874 1 533 . 1 1 51 51 LYS H H 1 7.73 0.000 . 1 . . . . . . . . 6874 1 534 . 1 1 51 51 LYS CA C 13 56.9 0.000 . 1 . . . . . . . . 6874 1 535 . 1 1 51 51 LYS HA H 1 4.11 0.000 . 1 . . . . . . . . 6874 1 536 . 1 1 51 51 LYS CB C 13 31.8 0.000 . 1 . . . . . . . . 6874 1 537 . 1 1 51 51 LYS HB2 H 1 1.72 0.002 . 1 . . . . . . . . 6874 1 538 . 1 1 51 51 LYS HB3 H 1 1.72 0.002 . 1 . . . . . . . . 6874 1 539 . 1 1 51 51 LYS CG C 13 24.3 0.000 . 1 . . . . . . . . 6874 1 540 . 1 1 51 51 LYS HG2 H 1 1.26 0.002 . 2 . . . . . . . . 6874 1 541 . 1 1 51 51 LYS HG3 H 1 1.20 0.002 . 2 . . . . . . . . 6874 1 542 . 1 1 51 51 LYS CD C 13 28.5 0.000 . 1 . . . . . . . . 6874 1 543 . 1 1 51 51 LYS HD2 H 1 1.55 0.004 . 1 . . . . . . . . 6874 1 544 . 1 1 51 51 LYS HD3 H 1 1.55 0.002 . 1 . . . . . . . . 6874 1 545 . 1 1 51 51 LYS CE C 13 41.8 0.000 . 1 . . . . . . . . 6874 1 546 . 1 1 51 51 LYS HE2 H 1 2.90 0.001 . 1 . . . . . . . . 6874 1 547 . 1 1 51 51 LYS HE3 H 1 2.90 0.001 . 1 . . . . . . . . 6874 1 548 . 1 1 52 52 TYR N N 15 119.8 0.000 . 1 . . . . . . . . 6874 1 549 . 1 1 52 52 TYR H H 1 7.84 0.001 . 1 . . . . . . . . 6874 1 550 . 1 1 52 52 TYR CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 1 551 . 1 1 52 52 TYR HA H 1 4.40 0.000 . 1 . . . . . . . . 6874 1 552 . 1 1 52 52 TYR CB C 13 39.0 0.000 . 1 . . . . . . . . 6874 1 553 . 1 1 52 52 TYR HB2 H 1 3.12 0.000 . 2 . . . . . . . . 6874 1 554 . 1 1 52 52 TYR HB3 H 1 2.94 0.004 . 2 . . . . . . . . 6874 1 555 . 1 1 52 52 TYR HD1 H 1 7.11 0.000 . 1 . . . . . . . . 6874 1 556 . 1 1 52 52 TYR HD2 H 1 7.11 0.000 . 1 . . . . . . . . 6874 1 557 . 1 1 52 52 TYR HE1 H 1 6.77 0.000 . 1 . . . . . . . . 6874 1 558 . 1 1 52 52 TYR HE2 H 1 6.77 0.000 . 1 . . . . . . . . 6874 1 559 . 1 1 53 53 VAL N N 15 120.2 0.000 . 1 . . . . . . . . 6874 1 560 . 1 1 53 53 VAL H H 1 7.88 0.002 . 1 . . . . . . . . 6874 1 561 . 1 1 53 53 VAL CA C 13 63.0 0.000 . 1 . . . . . . . . 6874 1 562 . 1 1 53 53 VAL HA H 1 3.96 0.001 . 1 . . . . . . . . 6874 1 563 . 1 1 53 53 VAL CB C 13 32.5 0.075 . 1 . . . . . . . . 6874 1 564 . 1 1 53 53 VAL HB H 1 2.10 0.005 . 1 . . . . . . . . 6874 1 565 . 1 1 53 53 VAL HG11 H 1 0.99 0.001 . 2 . . . . . . . . 6874 1 566 . 1 1 53 53 VAL HG12 H 1 0.99 0.001 . 2 . . . . . . . . 6874 1 567 . 1 1 53 53 VAL HG13 H 1 0.99 0.001 . 2 . . . . . . . . 6874 1 568 . 1 1 53 53 VAL HG21 H 1 0.94 0.003 . 2 . . . . . . . . 6874 1 569 . 1 1 53 53 VAL HG22 H 1 0.94 0.003 . 2 . . . . . . . . 6874 1 570 . 1 1 53 53 VAL HG23 H 1 0.94 0.003 . 2 . . . . . . . . 6874 1 571 . 1 1 53 53 VAL CG1 C 13 21.3 0.000 . 1 . . . . . . . . 6874 1 572 . 1 1 53 53 VAL CG2 C 13 21.3 0.000 . 1 . . . . . . . . 6874 1 573 . 1 1 54 54 ALA N N 15 125.6 0.000 . 1 . . . . . . . . 6874 1 574 . 1 1 54 54 ALA H H 1 8.02 0.000 . 1 . . . . . . . . 6874 1 575 . 1 1 54 54 ALA CA C 13 52.9 0.000 . 1 . . . . . . . . 6874 1 576 . 1 1 54 54 ALA HA H 1 4.25 0.001 . 1 . . . . . . . . 6874 1 577 . 1 1 54 54 ALA HB1 H 1 1.41 0.002 . 1 . . . . . . . . 6874 1 578 . 1 1 54 54 ALA HB2 H 1 1.41 0.002 . 1 . . . . . . . . 6874 1 579 . 1 1 54 54 ALA HB3 H 1 1.41 0.002 . 1 . . . . . . . . 6874 1 580 . 1 1 54 54 ALA CB C 13 18.9 0.000 . 1 . . . . . . . . 6874 1 581 . 1 1 55 55 ASN N N 15 117.2 0.000 . 1 . . . . . . . . 6874 1 582 . 1 1 55 55 ASN H H 1 8.09 0.000 . 1 . . . . . . . . 6874 1 583 . 1 1 55 55 ASN CA C 13 52.9 0.000 . 1 . . . . . . . . 6874 1 584 . 1 1 55 55 ASN HA H 1 4.69 0.002 . 1 . . . . . . . . 6874 1 585 . 1 1 55 55 ASN CB C 13 39.0 0.000 . 1 . . . . . . . . 6874 1 586 . 1 1 55 55 ASN HB2 H 1 2.82 0.004 . 2 . . . . . . . . 6874 1 587 . 1 1 55 55 ASN HB3 H 1 2.72 0.002 . 2 . . . . . . . . 6874 1 588 . 1 1 55 55 ASN ND2 N 15 113.0 0.000 . 1 . . . . . . . . 6874 1 589 . 1 1 55 55 ASN HD21 H 1 7.63 0.001 . 2 . . . . . . . . 6874 1 590 . 1 1 55 55 ASN HD22 H 1 6.90 0.000 . 2 . . . . . . . . 6874 1 591 . 1 1 56 56 GLN N N 15 121.6 0.000 . 1 . . . . . . . . 6874 1 592 . 1 1 56 56 GLN H H 1 8.06 0.000 . 1 . . . . . . . . 6874 1 593 . 1 1 56 56 GLN CA C 13 53.7 0.000 . 1 . . . . . . . . 6874 1 594 . 1 1 56 56 GLN HA H 1 4.58 0.001 . 1 . . . . . . . . 6874 1 595 . 1 1 56 56 GLN CB C 13 28.8 0.000 . 1 . . . . . . . . 6874 1 596 . 1 1 56 56 GLN HB2 H 1 2.09 0.000 . 2 . . . . . . . . 6874 1 597 . 1 1 56 56 GLN HB3 H 1 1.95 0.001 . 2 . . . . . . . . 6874 1 598 . 1 1 56 56 GLN CG C 13 33.4 0.000 . 1 . . . . . . . . 6874 1 599 . 1 1 56 56 GLN HG2 H 1 2.36 0.001 . 1 . . . . . . . . 6874 1 600 . 1 1 56 56 GLN HG3 H 1 2.36 0.001 . 1 . . . . . . . . 6874 1 601 . 1 1 57 57 PRO CD C 13 50.5 0.000 . 1 . . . . . . . . 6874 1 602 . 1 1 57 57 PRO CA C 13 63.6 0.000 . 1 . . . . . . . . 6874 1 603 . 1 1 57 57 PRO HA H 1 4.41 0.002 . 1 . . . . . . . . 6874 1 604 . 1 1 57 57 PRO CB C 13 32.0 0.000 . 1 . . . . . . . . 6874 1 605 . 1 1 57 57 PRO HB2 H 1 2.30 0.002 . 2 . . . . . . . . 6874 1 606 . 1 1 57 57 PRO HB3 H 1 1.94 0.001 . 2 . . . . . . . . 6874 1 607 . 1 1 57 57 PRO CG C 13 27.5 0.000 . 1 . . . . . . . . 6874 1 608 . 1 1 57 57 PRO HG2 H 1 2.06 0.001 . 2 . . . . . . . . 6874 1 609 . 1 1 57 57 PRO HG3 H 1 2.01 0.002 . 2 . . . . . . . . 6874 1 610 . 1 1 57 57 PRO HD2 H 1 3.78 0.001 . 2 . . . . . . . . 6874 1 611 . 1 1 57 57 PRO HD3 H 1 3.66 0.001 . 2 . . . . . . . . 6874 1 612 . 1 1 58 58 GLY N N 15 109.7 0.000 . 1 . . . . . . . . 6874 1 613 . 1 1 58 58 GLY H H 1 8.53 0.000 . 1 . . . . . . . . 6874 1 614 . 1 1 58 58 GLY CA C 13 45.1 0.025 . 1 . . . . . . . . 6874 1 615 . 1 1 58 58 GLY HA2 H 1 3.96 0.000 . 1 . . . . . . . . 6874 1 616 . 1 1 58 58 GLY HA3 H 1 3.96 0.000 . 1 . . . . . . . . 6874 1 617 . 1 1 59 59 MET N N 15 120.2 0.000 . 1 . . . . . . . . 6874 1 618 . 1 1 59 59 MET H H 1 8.08 0.000 . 1 . . . . . . . . 6874 1 619 . 1 1 59 59 MET HB2 H 1 2.13 0.000 . 2 . . . . . . . . 6874 1 620 . 1 1 59 59 MET HB3 H 1 2.02 0.000 . 2 . . . . . . . . 6874 1 621 . 1 1 59 59 MET HG2 H 1 2.62 0.000 . 2 . . . . . . . . 6874 1 622 . 1 1 59 59 MET HG3 H 1 2.51 0.000 . 2 . . . . . . . . 6874 1 stop_ save_ save_chemical_shift_SRC1-AD1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_SRC1-AD1 _Assigned_chem_shift_list.Entry_ID 6874 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6874 2 . . 2 $sample_2 . 6874 2 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 . 2 2 3 3 PRO CD C 13 49.6 0.000 . 1 . . . . . . . . 6874 2 2 . 2 2 3 3 PRO CA C 13 63.0 0.000 . 1 . . . . . . . . 6874 2 3 . 2 2 3 3 PRO HA H 1 4.53 0.001 . 1 . . . . . . . . 6874 2 4 . 2 2 3 3 PRO CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 2 5 . 2 2 3 3 PRO HB2 H 1 2.31 0.001 . 2 . . . . . . . . 6874 2 6 . 2 2 3 3 PRO HB3 H 1 1.98 0.003 . 2 . . . . . . . . 6874 2 7 . 2 2 3 3 PRO CG C 13 27.1 0.000 . 1 . . . . . . . . 6874 2 8 . 2 2 3 3 PRO HG2 H 1 2.04 0.003 . 2 . . . . . . . . 6874 2 9 . 2 2 3 3 PRO HG3 H 1 2.03 0.003 . 2 . . . . . . . . 6874 2 10 . 2 2 3 3 PRO HD2 H 1 3.66 0.003 . 1 . . . . . . . . 6874 2 11 . 2 2 3 3 PRO HD3 H 1 3.66 0.002 . 1 . . . . . . . . 6874 2 12 . 2 2 4 4 THR N N 15 114.6 0.000 . 1 . . . . . . . . 6874 2 13 . 2 2 4 4 THR H H 1 8.37 0.001 . 1 . . . . . . . . 6874 2 14 . 2 2 4 4 THR CA C 13 61.8 0.000 . 1 . . . . . . . . 6874 2 15 . 2 2 4 4 THR HA H 1 4.42 0.001 . 1 . . . . . . . . 6874 2 16 . 2 2 4 4 THR CB C 13 69.8 0.000 . 1 . . . . . . . . 6874 2 17 . 2 2 4 4 THR HB H 1 4.25 0.000 . 1 . . . . . . . . 6874 2 18 . 2 2 4 4 THR HG21 H 1 1.23 0.000 . 1 . . . . . . . . 6874 2 19 . 2 2 4 4 THR HG22 H 1 1.23 0.000 . 1 . . . . . . . . 6874 2 20 . 2 2 4 4 THR HG23 H 1 1.23 0.000 . 1 . . . . . . . . 6874 2 21 . 2 2 4 4 THR CG2 C 13 21.5 0.000 . 1 . . . . . . . . 6874 2 22 . 2 2 5 5 THR N N 15 117.2 0.000 . 1 . . . . . . . . 6874 2 23 . 2 2 5 5 THR H H 1 8.14 0.000 . 1 . . . . . . . . 6874 2 24 . 2 2 5 5 THR CA C 13 61.5 0.000 . 1 . . . . . . . . 6874 2 25 . 2 2 5 5 THR HA H 1 4.42 0.001 . 1 . . . . . . . . 6874 2 26 . 2 2 5 5 THR CB C 13 70.1 0.000 . 1 . . . . . . . . 6874 2 27 . 2 2 5 5 THR HB H 1 4.24 0.000 . 1 . . . . . . . . 6874 2 28 . 2 2 5 5 THR HG21 H 1 1.20 0.002 . 1 . . . . . . . . 6874 2 29 . 2 2 5 5 THR HG22 H 1 1.20 0.002 . 1 . . . . . . . . 6874 2 30 . 2 2 5 5 THR HG23 H 1 1.20 0.002 . 1 . . . . . . . . 6874 2 31 . 2 2 5 5 THR CG2 C 13 21.5 0.000 . 1 . . . . . . . . 6874 2 32 . 2 2 6 6 VAL N N 15 123.0 0.000 . 1 . . . . . . . . 6874 2 33 . 2 2 6 6 VAL H H 1 8.27 0.000 . 1 . . . . . . . . 6874 2 34 . 2 2 6 6 VAL CA C 13 62.6 0.000 . 1 . . . . . . . . 6874 2 35 . 2 2 6 6 VAL HA H 1 4.11 0.001 . 1 . . . . . . . . 6874 2 36 . 2 2 6 6 VAL CB C 13 32.6 0.000 . 1 . . . . . . . . 6874 2 37 . 2 2 6 6 VAL HB H 1 2.07 0.000 . 1 . . . . . . . . 6874 2 38 . 2 2 6 6 VAL HG11 H 1 0.93 0.001 . 1 . . . . . . . . 6874 2 39 . 2 2 6 6 VAL HG12 H 1 0.93 0.001 . 1 . . . . . . . . 6874 2 40 . 2 2 6 6 VAL HG13 H 1 0.93 0.001 . 1 . . . . . . . . 6874 2 41 . 2 2 6 6 VAL HG21 H 1 0.93 0.000 . 1 . . . . . . . . 6874 2 42 . 2 2 6 6 VAL HG22 H 1 0.93 0.000 . 1 . . . . . . . . 6874 2 43 . 2 2 6 6 VAL HG23 H 1 0.93 0.000 . 1 . . . . . . . . 6874 2 44 . 2 2 6 6 VAL CG1 C 13 21.0 0.000 . 1 . . . . . . . . 6874 2 45 . 2 2 6 6 VAL CG2 C 13 21.0 0.000 . 1 . . . . . . . . 6874 2 46 . 2 2 7 7 GLU N N 15 125.1 0.000 . 1 . . . . . . . . 6874 2 47 . 2 2 7 7 GLU H H 1 8.54 0.000 . 1 . . . . . . . . 6874 2 48 . 2 2 7 7 GLU CA C 13 56.9 0.000 . 1 . . . . . . . . 6874 2 49 . 2 2 7 7 GLU HA H 1 4.27 0.001 . 1 . . . . . . . . 6874 2 50 . 2 2 7 7 GLU CB C 13 30.2 0.000 . 1 . . . . . . . . 6874 2 51 . 2 2 7 7 GLU HB2 H 1 2.05 0.006 . 2 . . . . . . . . 6874 2 52 . 2 2 7 7 GLU HB3 H 1 1.97 0.004 . 2 . . . . . . . . 6874 2 53 . 2 2 7 7 GLU CG C 13 36.3 0.000 . 1 . . . . . . . . 6874 2 54 . 2 2 7 7 GLU HG2 H 1 2.27 0.001 . 1 . . . . . . . . 6874 2 55 . 2 2 7 7 GLU HG3 H 1 2.27 0.002 . 1 . . . . . . . . 6874 2 56 . 2 2 8 8 GLY N N 15 110.6 0.000 . 1 . . . . . . . . 6874 2 57 . 2 2 8 8 GLY H H 1 8.47 0.000 . 1 . . . . . . . . 6874 2 58 . 2 2 8 8 GLY CA C 13 45.3 0.014 . 1 . . . . . . . . 6874 2 59 . 2 2 8 8 GLY HA2 H 1 3.96 0.000 . 1 . . . . . . . . 6874 2 60 . 2 2 8 8 GLY HA3 H 1 3.96 0.000 . 1 . . . . . . . . 6874 2 61 . 2 2 9 9 ARG N N 15 120.9 0.000 . 1 . . . . . . . . 6874 2 62 . 2 2 9 9 ARG H H 1 8.19 0.000 . 1 . . . . . . . . 6874 2 63 . 2 2 9 9 ARG CA C 13 56.2 0.000 . 1 . . . . . . . . 6874 2 64 . 2 2 9 9 ARG HA H 1 4.34 0.003 . 1 . . . . . . . . 6874 2 65 . 2 2 9 9 ARG CB C 13 30.7 0.000 . 1 . . . . . . . . 6874 2 66 . 2 2 9 9 ARG HB2 H 1 1.89 0.003 . 2 . . . . . . . . 6874 2 67 . 2 2 9 9 ARG HB3 H 1 1.78 0.000 . 2 . . . . . . . . 6874 2 68 . 2 2 9 9 ARG CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2 69 . 2 2 9 9 ARG HG2 H 1 1.60 0.004 . 1 . . . . . . . . 6874 2 70 . 2 2 9 9 ARG HG3 H 1 1.60 0.000 . 1 . . . . . . . . 6874 2 71 . 2 2 9 9 ARG CD C 13 43.3 0.000 . 1 . . . . . . . . 6874 2 72 . 2 2 9 9 ARG HD2 H 1 3.20 0.000 . 1 . . . . . . . . 6874 2 73 . 2 2 9 9 ARG HD3 H 1 3.20 0.000 . 1 . . . . . . . . 6874 2 74 . 2 2 10 10 ASN CA C 13 53.5 0.000 . 1 . . . . . . . . 6874 2 75 . 2 2 10 10 ASN HA H 1 4.72 0.001 . 1 . . . . . . . . 6874 2 76 . 2 2 10 10 ASN CB C 13 38.7 0.000 . 1 . . . . . . . . 6874 2 77 . 2 2 10 10 ASN HB2 H 1 2.85 0.000 . 2 . . . . . . . . 6874 2 78 . 2 2 10 10 ASN HB3 H 1 2.78 0.002 . 2 . . . . . . . . 6874 2 79 . 2 2 10 10 ASN ND2 N 15 113.4 0.000 . 1 . . . . . . . . 6874 2 80 . 2 2 10 10 ASN HD21 H 1 7.69 0.000 . 2 . . . . . . . . 6874 2 81 . 2 2 10 10 ASN HD22 H 1 7.01 0.000 . 2 . . . . . . . . 6874 2 82 . 2 2 11 11 ASP N N 15 121.4 0.000 . 1 . . . . . . . . 6874 2 83 . 2 2 11 11 ASP H H 1 8.26 0.001 . 1 . . . . . . . . 6874 2 84 . 2 2 11 11 ASP CA C 13 54.8 0.000 . 1 . . . . . . . . 6874 2 85 . 2 2 11 11 ASP HA H 1 4.58 0.001 . 1 . . . . . . . . 6874 2 86 . 2 2 11 11 ASP CB C 13 40.9 0.000 . 1 . . . . . . . . 6874 2 87 . 2 2 11 11 ASP HB2 H 1 2.74 0.000 . 2 . . . . . . . . 6874 2 88 . 2 2 11 11 ASP HB3 H 1 2.70 0.000 . 2 . . . . . . . . 6874 2 89 . 2 2 12 12 GLU N N 15 121.9 0.000 . 1 . . . . . . . . 6874 2 90 . 2 2 12 12 GLU H H 1 8.53 0.001 . 1 . . . . . . . . 6874 2 91 . 2 2 12 12 GLU CA C 13 59.6 0.000 . 1 . . . . . . . . 6874 2 92 . 2 2 12 12 GLU HA H 1 3.94 0.001 . 1 . . . . . . . . 6874 2 93 . 2 2 12 12 GLU CB C 13 29.6 0.000 . 1 . . . . . . . . 6874 2 94 . 2 2 12 12 GLU HB2 H 1 2.08 0.001 . 2 . . . . . . . . 6874 2 95 . 2 2 12 12 GLU HB3 H 1 2.09 0.000 . 2 . . . . . . . . 6874 2 96 . 2 2 12 12 GLU CG C 13 36.9 0.000 . 1 . . . . . . . . 6874 2 97 . 2 2 12 12 GLU HG2 H 1 2.29 0.001 . 2 . . . . . . . . 6874 2 98 . 2 2 12 12 GLU HG3 H 1 2.25 0.001 . 2 . . . . . . . . 6874 2 99 . 2 2 13 13 LYS N N 15 119.5 0.000 . 1 . . . . . . . . 6874 2 100 . 2 2 13 13 LYS H H 1 8.06 0.000 . 1 . . . . . . . . 6874 2 101 . 2 2 13 13 LYS CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 2 102 . 2 2 13 13 LYS HA H 1 4.01 0.004 . 1 . . . . . . . . 6874 2 103 . 2 2 13 13 LYS CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 2 104 . 2 2 13 13 LYS HB2 H 1 1.88 0.004 . 1 . . . . . . . . 6874 2 105 . 2 2 13 13 LYS HB3 H 1 1.88 0.000 . 1 . . . . . . . . 6874 2 106 . 2 2 13 13 LYS CG C 13 25.1 0.000 . 1 . . . . . . . . 6874 2 107 . 2 2 13 13 LYS HG2 H 1 1.52 0.003 . 2 . . . . . . . . 6874 2 108 . 2 2 13 13 LYS HG3 H 1 1.41 0.003 . 2 . . . . . . . . 6874 2 109 . 2 2 13 13 LYS CD C 13 29.0 0.000 . 1 . . . . . . . . 6874 2 110 . 2 2 13 13 LYS HD2 H 1 1.69 0.003 . 2 . . . . . . . . 6874 2 111 . 2 2 13 13 LYS HD3 H 1 1.70 0.000 . 2 . . . . . . . . 6874 2 112 . 2 2 13 13 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 2 113 . 2 2 13 13 LYS HE2 H 1 3.00 0.001 . 1 . . . . . . . . 6874 2 114 . 2 2 13 13 LYS HE3 H 1 3.00 0.001 . 1 . . . . . . . . 6874 2 115 . 2 2 14 14 ALA N N 15 122.1 0.000 . 1 . . . . . . . . 6874 2 116 . 2 2 14 14 ALA H H 1 7.93 0.001 . 1 . . . . . . . . 6874 2 117 . 2 2 14 14 ALA CA C 13 54.5 0.000 . 1 . . . . . . . . 6874 2 118 . 2 2 14 14 ALA HA H 1 4.21 0.003 . 1 . . . . . . . . 6874 2 119 . 2 2 14 14 ALA HB1 H 1 1.49 0.002 . 1 . . . . . . . . 6874 2 120 . 2 2 14 14 ALA HB2 H 1 1.49 0.002 . 1 . . . . . . . . 6874 2 121 . 2 2 14 14 ALA HB3 H 1 1.49 0.002 . 1 . . . . . . . . 6874 2 122 . 2 2 14 14 ALA CB C 13 18.4 0.000 . 1 . . . . . . . . 6874 2 123 . 2 2 15 15 LEU N N 15 119.8 0.000 . 1 . . . . . . . . 6874 2 124 . 2 2 15 15 LEU H H 1 8.02 0.001 . 1 . . . . . . . . 6874 2 125 . 2 2 15 15 LEU CA C 13 57.4 0.000 . 1 . . . . . . . . 6874 2 126 . 2 2 15 15 LEU HA H 1 4.06 0.003 . 1 . . . . . . . . 6874 2 127 . 2 2 15 15 LEU CB C 13 41.9 0.000 . 1 . . . . . . . . 6874 2 128 . 2 2 15 15 LEU HB2 H 1 1.86 0.003 . 2 . . . . . . . . 6874 2 129 . 2 2 15 15 LEU HB3 H 1 1.46 0.001 . 2 . . . . . . . . 6874 2 130 . 2 2 15 15 LEU CG C 13 27.1 0.000 . 1 . . . . . . . . 6874 2 131 . 2 2 15 15 LEU HG H 1 1.75 0.002 . 1 . . . . . . . . 6874 2 132 . 2 2 15 15 LEU HD11 H 1 0.87 0.001 . 2 . . . . . . . . 6874 2 133 . 2 2 15 15 LEU HD12 H 1 0.87 0.001 . 2 . . . . . . . . 6874 2 134 . 2 2 15 15 LEU HD13 H 1 0.87 0.001 . 2 . . . . . . . . 6874 2 135 . 2 2 15 15 LEU HD21 H 1 0.85 0.000 . 2 . . . . . . . . 6874 2 136 . 2 2 15 15 LEU HD22 H 1 0.85 0.000 . 2 . . . . . . . . 6874 2 137 . 2 2 15 15 LEU HD23 H 1 0.85 0.000 . 2 . . . . . . . . 6874 2 138 . 2 2 15 15 LEU CD1 C 13 25.9 0.000 . 1 . . . . . . . . 6874 2 139 . 2 2 15 15 LEU CD2 C 13 25.5 0.000 . 1 . . . . . . . . 6874 2 140 . 2 2 16 16 LEU N N 15 120.0 0.000 . 1 . . . . . . . . 6874 2 141 . 2 2 16 16 LEU H H 1 8.22 0.002 . 1 . . . . . . . . 6874 2 142 . 2 2 16 16 LEU CA C 13 58.0 0.000 . 1 . . . . . . . . 6874 2 143 . 2 2 16 16 LEU HA H 1 4.01 0.002 . 1 . . . . . . . . 6874 2 144 . 2 2 16 16 LEU CB C 13 41.4 0.000 . 1 . . . . . . . . 6874 2 145 . 2 2 16 16 LEU HB2 H 1 1.83 0.001 . 2 . . . . . . . . 6874 2 146 . 2 2 16 16 LEU HB3 H 1 1.66 0.002 . 2 . . . . . . . . 6874 2 147 . 2 2 16 16 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2 148 . 2 2 16 16 LEU HG H 1 1.75 0.004 . 1 . . . . . . . . 6874 2 149 . 2 2 16 16 LEU HD11 H 1 0.90 0.002 . 2 . . . . . . . . 6874 2 150 . 2 2 16 16 LEU HD12 H 1 0.90 0.002 . 2 . . . . . . . . 6874 2 151 . 2 2 16 16 LEU HD13 H 1 0.90 0.002 . 2 . . . . . . . . 6874 2 152 . 2 2 16 16 LEU HD21 H 1 0.86 0.003 . 2 . . . . . . . . 6874 2 153 . 2 2 16 16 LEU HD22 H 1 0.86 0.003 . 2 . . . . . . . . 6874 2 154 . 2 2 16 16 LEU HD23 H 1 0.86 0.003 . 2 . . . . . . . . 6874 2 155 . 2 2 16 16 LEU CD1 C 13 24.8 0.000 . 1 . . . . . . . . 6874 2 156 . 2 2 16 16 LEU CD2 C 13 24.3 0.000 . 1 . . . . . . . . 6874 2 157 . 2 2 17 17 GLU N N 15 118.8 0.000 . 1 . . . . . . . . 6874 2 158 . 2 2 17 17 GLU H H 1 8.03 0.002 . 1 . . . . . . . . 6874 2 159 . 2 2 17 17 GLU CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 2 160 . 2 2 17 17 GLU HA H 1 3.99 0.002 . 1 . . . . . . . . 6874 2 161 . 2 2 17 17 GLU CB C 13 29.0 0.000 . 1 . . . . . . . . 6874 2 162 . 2 2 17 17 GLU HB2 H 1 2.20 0.003 . 2 . . . . . . . . 6874 2 163 . 2 2 17 17 GLU HB3 H 1 2.08 0.002 . 2 . . . . . . . . 6874 2 164 . 2 2 17 17 GLU CG C 13 36.5 0.000 . 1 . . . . . . . . 6874 2 165 . 2 2 17 17 GLU HG2 H 1 2.46 0.003 . 2 . . . . . . . . 6874 2 166 . 2 2 17 17 GLU HG3 H 1 2.26 0.004 . 2 . . . . . . . . 6874 2 167 . 2 2 18 18 GLN N N 15 119.5 0.000 . 1 . . . . . . . . 6874 2 168 . 2 2 18 18 GLN H H 1 7.96 0.000 . 1 . . . . . . . . 6874 2 169 . 2 2 18 18 GLN CA C 13 59.1 0.000 . 1 . . . . . . . . 6874 2 170 . 2 2 18 18 GLN HA H 1 4.13 0.004 . 1 . . . . . . . . 6874 2 171 . 2 2 18 18 GLN CB C 13 28.5 0.000 . 1 . . . . . . . . 6874 2 172 . 2 2 18 18 GLN HB2 H 1 2.15 0.000 . 2 . . . . . . . . 6874 2 173 . 2 2 18 18 GLN HB3 H 1 2.11 0.000 . 2 . . . . . . . . 6874 2 174 . 2 2 18 18 GLN CG C 13 33.9 0.000 . 1 . . . . . . . . 6874 2 175 . 2 2 18 18 GLN HG2 H 1 2.51 0.000 . 2 . . . . . . . . 6874 2 176 . 2 2 18 18 GLN HG3 H 1 2.41 0.000 . 2 . . . . . . . . 6874 2 177 . 2 2 19 19 LEU N N 15 121.9 0.000 . 1 . . . . . . . . 6874 2 178 . 2 2 19 19 LEU H H 1 8.19 0.001 . 1 . . . . . . . . 6874 2 179 . 2 2 19 19 LEU CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 2 180 . 2 2 19 19 LEU HA H 1 4.15 0.000 . 1 . . . . . . . . 6874 2 181 . 2 2 19 19 LEU CB C 13 41.4 0.000 . 1 . . . . . . . . 6874 2 182 . 2 2 19 19 LEU HB2 H 1 2.15 0.003 . 2 . . . . . . . . 6874 2 183 . 2 2 19 19 LEU HB3 H 1 1.76 0.001 . 2 . . . . . . . . 6874 2 184 . 2 2 19 19 LEU HD11 H 1 0.93 0.002 . 2 . . . . . . . . 6874 2 185 . 2 2 19 19 LEU HD12 H 1 0.93 0.002 . 2 . . . . . . . . 6874 2 186 . 2 2 19 19 LEU HD13 H 1 0.93 0.002 . 2 . . . . . . . . 6874 2 187 . 2 2 19 19 LEU HD21 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2 188 . 2 2 19 19 LEU HD22 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2 189 . 2 2 19 19 LEU HD23 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2 190 . 2 2 20 20 VAL N N 15 119.5 0.000 . 1 . . . . . . . . 6874 2 191 . 2 2 20 20 VAL H H 1 8.38 0.000 . 1 . . . . . . . . 6874 2 192 . 2 2 20 20 VAL CA C 13 67.4 0.000 . 1 . . . . . . . . 6874 2 193 . 2 2 20 20 VAL HA H 1 3.49 0.001 . 1 . . . . . . . . 6874 2 194 . 2 2 20 20 VAL CB C 13 31.5 0.000 . 1 . . . . . . . . 6874 2 195 . 2 2 20 20 VAL HB H 1 2.16 0.001 . 1 . . . . . . . . 6874 2 196 . 2 2 20 20 VAL HG11 H 1 1.04 0.001 . 2 . . . . . . . . 6874 2 197 . 2 2 20 20 VAL HG12 H 1 1.04 0.001 . 2 . . . . . . . . 6874 2 198 . 2 2 20 20 VAL HG13 H 1 1.04 0.001 . 2 . . . . . . . . 6874 2 199 . 2 2 20 20 VAL HG21 H 1 0.93 0.001 . 2 . . . . . . . . 6874 2 200 . 2 2 20 20 VAL HG22 H 1 0.93 0.001 . 2 . . . . . . . . 6874 2 201 . 2 2 20 20 VAL HG23 H 1 0.93 0.001 . 2 . . . . . . . . 6874 2 202 . 2 2 20 20 VAL CG1 C 13 22.9 0.000 . 1 . . . . . . . . 6874 2 203 . 2 2 20 20 VAL CG2 C 13 21.3 0.000 . 1 . . . . . . . . 6874 2 204 . 2 2 21 21 SER N N 15 116.5 0.000 . 1 . . . . . . . . 6874 2 205 . 2 2 21 21 SER H H 1 8.32 0.001 . 1 . . . . . . . . 6874 2 206 . 2 2 21 21 SER CA C 13 61.5 0.000 . 1 . . . . . . . . 6874 2 207 . 2 2 21 21 SER HA H 1 4.21 0.000 . 1 . . . . . . . . 6874 2 208 . 2 2 21 21 SER CB C 13 62.7 0.000 . 1 . . . . . . . . 6874 2 209 . 2 2 21 21 SER HB2 H 1 4.00 0.000 . 2 . . . . . . . . 6874 2 210 . 2 2 21 21 SER HB3 H 1 3.98 0.002 . 2 . . . . . . . . 6874 2 211 . 2 2 22 22 PHE N N 15 122.8 0.000 . 1 . . . . . . . . 6874 2 212 . 2 2 22 22 PHE H H 1 8.19 0.002 . 1 . . . . . . . . 6874 2 213 . 2 2 22 22 PHE CA C 13 61.2 0.000 . 1 . . . . . . . . 6874 2 214 . 2 2 22 22 PHE HA H 1 4.26 0.000 . 1 . . . . . . . . 6874 2 215 . 2 2 22 22 PHE CB C 13 39.3 0.000 . 1 . . . . . . . . 6874 2 216 . 2 2 22 22 PHE HB2 H 1 3.38 0.002 . 2 . . . . . . . . 6874 2 217 . 2 2 22 22 PHE HB3 H 1 3.23 0.002 . 2 . . . . . . . . 6874 2 218 . 2 2 22 22 PHE HD1 H 1 7.20 0.005 . 1 . . . . . . . . 6874 2 219 . 2 2 22 22 PHE HD2 H 1 7.20 0.005 . 1 . . . . . . . . 6874 2 220 . 2 2 22 22 PHE HE1 H 1 7.26 0.002 . 1 . . . . . . . . 6874 2 221 . 2 2 22 22 PHE HE2 H 1 7.26 0.002 . 1 . . . . . . . . 6874 2 222 . 2 2 23 23 LEU N N 15 118.6 0.000 . 1 . . . . . . . . 6874 2 223 . 2 2 23 23 LEU H H 1 8.45 0.001 . 1 . . . . . . . . 6874 2 224 . 2 2 23 23 LEU CA C 13 57.1 0.000 . 1 . . . . . . . . 6874 2 225 . 2 2 23 23 LEU HA H 1 3.81 0.001 . 1 . . . . . . . . 6874 2 226 . 2 2 23 23 LEU CB C 13 41.8 0.000 . 1 . . . . . . . . 6874 2 227 . 2 2 23 23 LEU HB2 H 1 1.88 0.003 . 2 . . . . . . . . 6874 2 228 . 2 2 23 23 LEU HB3 H 1 1.39 0.001 . 2 . . . . . . . . 6874 2 229 . 2 2 23 23 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2 230 . 2 2 23 23 LEU HG H 1 2.03 0.003 . 1 . . . . . . . . 6874 2 231 . 2 2 23 23 LEU HD11 H 1 0.86 0.002 . 2 . . . . . . . . 6874 2 232 . 2 2 23 23 LEU HD12 H 1 0.86 0.002 . 2 . . . . . . . . 6874 2 233 . 2 2 23 23 LEU HD13 H 1 0.86 0.002 . 2 . . . . . . . . 6874 2 234 . 2 2 23 23 LEU HD21 H 1 0.66 0.001 . 2 . . . . . . . . 6874 2 235 . 2 2 23 23 LEU HD22 H 1 0.66 0.001 . 2 . . . . . . . . 6874 2 236 . 2 2 23 23 LEU HD23 H 1 0.66 0.001 . 2 . . . . . . . . 6874 2 237 . 2 2 23 23 LEU CD1 C 13 22.9 0.000 . 1 . . . . . . . . 6874 2 238 . 2 2 23 23 LEU CD2 C 13 25.5 0.000 . 1 . . . . . . . . 6874 2 239 . 2 2 24 24 SER N N 15 113.9 0.000 . 1 . . . . . . . . 6874 2 240 . 2 2 24 24 SER H H 1 8.09 0.001 . 1 . . . . . . . . 6874 2 241 . 2 2 24 24 SER CA C 13 60.7 0.000 . 1 . . . . . . . . 6874 2 242 . 2 2 24 24 SER HA H 1 4.22 0.001 . 1 . . . . . . . . 6874 2 243 . 2 2 24 24 SER CB C 13 62.8 0.000 . 1 . . . . . . . . 6874 2 244 . 2 2 24 24 SER HB2 H 1 3.99 0.001 . 2 . . . . . . . . 6874 2 245 . 2 2 24 24 SER HB3 H 1 3.95 0.000 . 2 . . . . . . . . 6874 2 246 . 2 2 25 25 GLY N N 15 107.8 0.000 . 1 . . . . . . . . 6874 2 247 . 2 2 25 25 GLY H H 1 7.47 0.000 . 1 . . . . . . . . 6874 2 248 . 2 2 25 25 GLY CA C 13 44.8 0.015 . 1 . . . . . . . . 6874 2 249 . 2 2 26 26 LYS N N 15 121.2 0.000 . 1 . . . . . . . . 6874 2 250 . 2 2 26 26 LYS H H 1 7.13 0.001 . 1 . . . . . . . . 6874 2 251 . 2 2 26 26 LYS CA C 13 54.3 0.000 . 1 . . . . . . . . 6874 2 252 . 2 2 26 26 LYS HA H 1 4.36 0.004 . 1 . . . . . . . . 6874 2 253 . 2 2 26 26 LYS CB C 13 33.4 0.000 . 1 . . . . . . . . 6874 2 254 . 2 2 26 26 LYS HB2 H 1 1.74 0.008 . 2 . . . . . . . . 6874 2 255 . 2 2 26 26 LYS HB3 H 1 1.68 0.000 . 2 . . . . . . . . 6874 2 256 . 2 2 26 26 LYS CG C 13 24.5 0.000 . 1 . . . . . . . . 6874 2 257 . 2 2 26 26 LYS HG2 H 1 1.30 0.002 . 2 . . . . . . . . 6874 2 258 . 2 2 26 26 LYS HG3 H 1 1.26 0.000 . 2 . . . . . . . . 6874 2 259 . 2 2 26 26 LYS CD C 13 28.5 0.000 . 1 . . . . . . . . 6874 2 260 . 2 2 26 26 LYS HD2 H 1 1.52 0.003 . 2 . . . . . . . . 6874 2 261 . 2 2 26 26 LYS HD3 H 1 1.48 0.000 . 2 . . . . . . . . 6874 2 262 . 2 2 26 26 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 2 263 . 2 2 26 26 LYS HE2 H 1 2.77 0.004 . 2 . . . . . . . . 6874 2 264 . 2 2 26 26 LYS HE3 H 1 2.68 0.002 . 2 . . . . . . . . 6874 2 265 . 2 2 27 27 ASP N N 15 123.3 0.000 . 1 . . . . . . . . 6874 2 266 . 2 2 27 27 ASP H H 1 8.73 0.000 . 1 . . . . . . . . 6874 2 267 . 2 2 27 27 ASP CA C 13 54.0 0.000 . 1 . . . . . . . . 6874 2 268 . 2 2 27 27 ASP HA H 1 4.54 0.001 . 1 . . . . . . . . 6874 2 269 . 2 2 27 27 ASP CB C 13 42.1 0.000 . 1 . . . . . . . . 6874 2 270 . 2 2 27 27 ASP HB2 H 1 2.84 0.002 . 2 . . . . . . . . 6874 2 271 . 2 2 27 27 ASP HB3 H 1 2.71 0.003 . 2 . . . . . . . . 6874 2 272 . 2 2 28 28 GLU N N 15 123.3 0.000 . 1 . . . . . . . . 6874 2 273 . 2 2 28 28 GLU H H 1 8.84 0.000 . 1 . . . . . . . . 6874 2 274 . 2 2 28 28 GLU CA C 13 59.3 0.000 . 1 . . . . . . . . 6874 2 275 . 2 2 28 28 GLU HA H 1 4.03 0.002 . 1 . . . . . . . . 6874 2 276 . 2 2 28 28 GLU CB C 13 29.6 0.000 . 1 . . . . . . . . 6874 2 277 . 2 2 28 28 GLU HB2 H 1 2.08 0.003 . 1 . . . . . . . . 6874 2 278 . 2 2 28 28 GLU HB3 H 1 2.08 0.000 . 1 . . . . . . . . 6874 2 279 . 2 2 28 28 GLU CG C 13 36.2 0.000 . 1 . . . . . . . . 6874 2 280 . 2 2 28 28 GLU HG2 H 1 2.33 0.002 . 1 . . . . . . . . 6874 2 281 . 2 2 28 28 GLU HG3 H 1 2.33 0.003 . 1 . . . . . . . . 6874 2 282 . 2 2 29 29 THR N N 15 114.6 0.000 . 1 . . . . . . . . 6874 2 283 . 2 2 29 29 THR H H 1 8.45 0.000 . 1 . . . . . . . . 6874 2 284 . 2 2 29 29 THR CA C 13 65.5 0.000 . 1 . . . . . . . . 6874 2 285 . 2 2 29 29 THR HA H 1 4.10 0.002 . 1 . . . . . . . . 6874 2 286 . 2 2 29 29 THR CB C 13 68.4 0.054 . 1 . . . . . . . . 6874 2 287 . 2 2 29 29 THR HB H 1 4.28 0.001 . 1 . . . . . . . . 6874 2 288 . 2 2 29 29 THR HG21 H 1 1.30 0.004 . 1 . . . . . . . . 6874 2 289 . 2 2 29 29 THR HG22 H 1 1.30 0.004 . 1 . . . . . . . . 6874 2 290 . 2 2 29 29 THR HG23 H 1 1.30 0.004 . 1 . . . . . . . . 6874 2 291 . 2 2 29 29 THR CG2 C 13 21.8 0.030 . 1 . . . . . . . . 6874 2 292 . 2 2 30 30 GLU N N 15 122.3 0.000 . 1 . . . . . . . . 6874 2 293 . 2 2 30 30 GLU H H 1 7.91 0.001 . 1 . . . . . . . . 6874 2 294 . 2 2 30 30 GLU CA C 13 58.6 0.000 . 1 . . . . . . . . 6874 2 295 . 2 2 30 30 GLU HA H 1 4.22 0.001 . 1 . . . . . . . . 6874 2 296 . 2 2 30 30 GLU CB C 13 30.2 0.000 . 1 . . . . . . . . 6874 2 297 . 2 2 30 30 GLU HB2 H 1 2.27 0.000 . 2 . . . . . . . . 6874 2 298 . 2 2 30 30 GLU HB3 H 1 2.08 0.008 . 2 . . . . . . . . 6874 2 299 . 2 2 30 30 GLU CG C 13 36.8 0.000 . 1 . . . . . . . . 6874 2 300 . 2 2 30 30 GLU HG2 H 1 2.46 0.003 . 2 . . . . . . . . 6874 2 301 . 2 2 30 30 GLU HG3 H 1 2.26 0.007 . 2 . . . . . . . . 6874 2 302 . 2 2 31 31 LEU N N 15 121.2 0.000 . 1 . . . . . . . . 6874 2 303 . 2 2 31 31 LEU H H 1 8.26 0.000 . 1 . . . . . . . . 6874 2 304 . 2 2 31 31 LEU CA C 13 55.0 0.006 . 1 . . . . . . . . 6874 2 305 . 2 2 31 31 LEU CB C 13 40.6 0.010 . 1 . . . . . . . . 6874 2 306 . 2 2 32 32 ALA N N 15 122.1 0.000 . 1 . . . . . . . . 6874 2 307 . 2 2 32 32 ALA H H 1 7.98 0.002 . 1 . . . . . . . . 6874 2 308 . 2 2 32 32 ALA CA C 13 54.9 0.000 . 1 . . . . . . . . 6874 2 309 . 2 2 32 32 ALA HA H 1 4.25 0.002 . 1 . . . . . . . . 6874 2 310 . 2 2 32 32 ALA HB1 H 1 1.56 0.003 . 1 . . . . . . . . 6874 2 311 . 2 2 32 32 ALA HB2 H 1 1.56 0.003 . 1 . . . . . . . . 6874 2 312 . 2 2 32 32 ALA HB3 H 1 1.56 0.003 . 1 . . . . . . . . 6874 2 313 . 2 2 32 32 ALA CB C 13 18.1 0.000 . 1 . . . . . . . . 6874 2 314 . 2 2 33 33 GLU N N 15 117.6 0.000 . 1 . . . . . . . . 6874 2 315 . 2 2 33 33 GLU H H 1 7.94 0.001 . 1 . . . . . . . . 6874 2 316 . 2 2 33 33 GLU CA C 13 59.0 0.000 . 1 . . . . . . . . 6874 2 317 . 2 2 33 33 GLU HA H 1 4.12 0.000 . 1 . . . . . . . . 6874 2 318 . 2 2 33 33 GLU CB C 13 28.7 0.000 . 1 . . . . . . . . 6874 2 319 . 2 2 33 33 GLU HB2 H 1 2.16 0.000 . 2 . . . . . . . . 6874 2 320 . 2 2 33 33 GLU HB3 H 1 2.09 0.000 . 2 . . . . . . . . 6874 2 321 . 2 2 33 33 GLU CG C 13 36.3 0.000 . 1 . . . . . . . . 6874 2 322 . 2 2 33 33 GLU HG2 H 1 2.42 0.006 . 2 . . . . . . . . 6874 2 323 . 2 2 33 33 GLU HG3 H 1 2.32 0.000 . 2 . . . . . . . . 6874 2 324 . 2 2 34 34 LEU N N 15 123.3 0.000 . 1 . . . . . . . . 6874 2 325 . 2 2 34 34 LEU H H 1 7.77 0.001 . 1 . . . . . . . . 6874 2 326 . 2 2 34 34 LEU CA C 13 58.0 0.000 . 1 . . . . . . . . 6874 2 327 . 2 2 34 34 LEU HA H 1 4.14 0.004 . 1 . . . . . . . . 6874 2 328 . 2 2 34 34 LEU CB C 13 41.4 0.000 . 1 . . . . . . . . 6874 2 329 . 2 2 34 34 LEU HB2 H 1 2.02 0.004 . 2 . . . . . . . . 6874 2 330 . 2 2 34 34 LEU HB3 H 1 1.78 0.000 . 2 . . . . . . . . 6874 2 331 . 2 2 34 34 LEU CG C 13 27.1 0.000 . 1 . . . . . . . . 6874 2 332 . 2 2 34 34 LEU HG H 1 1.84 0.006 . 1 . . . . . . . . 6874 2 333 . 2 2 34 34 LEU HD11 H 1 0.97 0.001 . 2 . . . . . . . . 6874 2 334 . 2 2 34 34 LEU HD12 H 1 0.97 0.001 . 2 . . . . . . . . 6874 2 335 . 2 2 34 34 LEU HD13 H 1 0.97 0.001 . 2 . . . . . . . . 6874 2 336 . 2 2 34 34 LEU HD21 H 1 0.90 0.000 . 2 . . . . . . . . 6874 2 337 . 2 2 34 34 LEU HD22 H 1 0.90 0.000 . 2 . . . . . . . . 6874 2 338 . 2 2 34 34 LEU HD23 H 1 0.90 0.000 . 2 . . . . . . . . 6874 2 339 . 2 2 34 34 LEU CD1 C 13 24.8 0.000 . 1 . . . . . . . . 6874 2 340 . 2 2 34 34 LEU CD2 C 13 24.8 0.000 . 1 . . . . . . . . 6874 2 341 . 2 2 35 35 ASP N N 15 120.2 0.000 . 1 . . . . . . . . 6874 2 342 . 2 2 35 35 ASP H H 1 8.71 0.000 . 1 . . . . . . . . 6874 2 343 . 2 2 35 35 ASP CA C 13 57.3 0.090 . 1 . . . . . . . . 6874 2 344 . 2 2 35 35 ASP CB C 13 39.9 0.002 . 1 . . . . . . . . 6874 2 345 . 2 2 36 36 ARG N N 15 119.0 0.000 . 1 . . . . . . . . 6874 2 346 . 2 2 36 36 ARG H H 1 7.86 0.001 . 1 . . . . . . . . 6874 2 347 . 2 2 36 36 ARG CA C 13 58.3 0.000 . 1 . . . . . . . . 6874 2 348 . 2 2 36 36 ARG HA H 1 4.16 0.008 . 1 . . . . . . . . 6874 2 349 . 2 2 36 36 ARG CB C 13 29.9 0.000 . 1 . . . . . . . . 6874 2 350 . 2 2 36 36 ARG HB2 H 1 1.91 0.002 . 1 . . . . . . . . 6874 2 351 . 2 2 36 36 ARG HB3 H 1 1.91 0.002 . 1 . . . . . . . . 6874 2 352 . 2 2 36 36 ARG CG C 13 27.7 0.000 . 1 . . . . . . . . 6874 2 353 . 2 2 36 36 ARG HG2 H 1 1.59 0.000 . 1 . . . . . . . . 6874 2 354 . 2 2 36 36 ARG HG3 H 1 1.59 0.000 . 1 . . . . . . . . 6874 2 355 . 2 2 36 36 ARG CD C 13 43.4 0.000 . 1 . . . . . . . . 6874 2 356 . 2 2 36 36 ARG HD2 H 1 3.26 0.000 . 2 . . . . . . . . 6874 2 357 . 2 2 36 36 ARG HD3 H 1 3.23 0.003 . 2 . . . . . . . . 6874 2 358 . 2 2 37 37 ALA N N 15 124.2 0.000 . 1 . . . . . . . . 6874 2 359 . 2 2 37 37 ALA H H 1 8.08 0.001 . 1 . . . . . . . . 6874 2 360 . 2 2 37 37 ALA CA C 13 54.6 0.000 . 1 . . . . . . . . 6874 2 361 . 2 2 37 37 ALA HA H 1 4.16 0.001 . 1 . . . . . . . . 6874 2 362 . 2 2 37 37 ALA HB1 H 1 1.54 0.003 . 1 . . . . . . . . 6874 2 363 . 2 2 37 37 ALA HB2 H 1 1.54 0.003 . 1 . . . . . . . . 6874 2 364 . 2 2 37 37 ALA HB3 H 1 1.54 0.003 . 1 . . . . . . . . 6874 2 365 . 2 2 37 37 ALA CB C 13 18.6 0.000 . 1 . . . . . . . . 6874 2 366 . 2 2 38 38 LEU N N 15 115.5 0.000 . 1 . . . . . . . . 6874 2 367 . 2 2 38 38 LEU H H 1 8.06 0.000 . 1 . . . . . . . . 6874 2 368 . 2 2 38 38 LEU CA C 13 54.9 0.000 . 1 . . . . . . . . 6874 2 369 . 2 2 38 38 LEU HA H 1 4.26 0.006 . 1 . . . . . . . . 6874 2 370 . 2 2 38 38 LEU CB C 13 42.7 0.000 . 1 . . . . . . . . 6874 2 371 . 2 2 38 38 LEU HB2 H 1 1.78 0.001 . 2 . . . . . . . . 6874 2 372 . 2 2 38 38 LEU HB3 H 1 1.58 0.002 . 2 . . . . . . . . 6874 2 373 . 2 2 38 38 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2 374 . 2 2 38 38 LEU HG H 1 1.79 0.000 . 1 . . . . . . . . 6874 2 375 . 2 2 38 38 LEU HD11 H 1 0.78 0.003 . 2 . . . . . . . . 6874 2 376 . 2 2 38 38 LEU HD12 H 1 0.78 0.003 . 2 . . . . . . . . 6874 2 377 . 2 2 38 38 LEU HD13 H 1 0.78 0.003 . 2 . . . . . . . . 6874 2 378 . 2 2 38 38 LEU HD21 H 1 0.72 0.004 . 2 . . . . . . . . 6874 2 379 . 2 2 38 38 LEU HD22 H 1 0.72 0.004 . 2 . . . . . . . . 6874 2 380 . 2 2 38 38 LEU HD23 H 1 0.72 0.004 . 2 . . . . . . . . 6874 2 381 . 2 2 38 38 LEU CD1 C 13 23.4 0.000 . 1 . . . . . . . . 6874 2 382 . 2 2 38 38 LEU CD2 C 13 26.2 0.000 . 1 . . . . . . . . 6874 2 383 . 2 2 39 39 GLY N N 15 107.6 0.000 . 1 . . . . . . . . 6874 2 384 . 2 2 39 39 GLY H H 1 7.80 0.000 . 1 . . . . . . . . 6874 2 385 . 2 2 39 39 GLY CA C 13 45.9 0.011 . 1 . . . . . . . . 6874 2 386 . 2 2 39 39 GLY HA2 H 1 4.03 0.000 . 1 . . . . . . . . 6874 2 387 . 2 2 39 39 GLY HA3 H 1 4.03 0.000 . 1 . . . . . . . . 6874 2 388 . 2 2 40 40 ILE N N 15 117.2 0.000 . 1 . . . . . . . . 6874 2 389 . 2 2 40 40 ILE H H 1 8.19 0.001 . 1 . . . . . . . . 6874 2 390 . 2 2 40 40 ILE CA C 13 62.3 0.000 . 1 . . . . . . . . 6874 2 391 . 2 2 40 40 ILE HA H 1 3.96 0.003 . 1 . . . . . . . . 6874 2 392 . 2 2 40 40 ILE CB C 13 38.2 0.000 . 1 . . . . . . . . 6874 2 393 . 2 2 40 40 ILE HB H 1 1.92 0.002 . 1 . . . . . . . . 6874 2 394 . 2 2 40 40 ILE HG21 H 1 0.76 0.002 . 1 . . . . . . . . 6874 2 395 . 2 2 40 40 ILE HG22 H 1 0.76 0.002 . 1 . . . . . . . . 6874 2 396 . 2 2 40 40 ILE HG23 H 1 0.76 0.002 . 1 . . . . . . . . 6874 2 397 . 2 2 40 40 ILE CG2 C 13 17.3 0.000 . 1 . . . . . . . . 6874 2 398 . 2 2 40 40 ILE CG1 C 13 28.0 0.000 . 1 . . . . . . . . 6874 2 399 . 2 2 40 40 ILE HG12 H 1 1.50 0.002 . 1 . . . . . . . . 6874 2 400 . 2 2 40 40 ILE HG13 H 1 1.50 0.002 . 1 . . . . . . . . 6874 2 401 . 2 2 40 40 ILE HD11 H 1 0.94 0.002 . 1 . . . . . . . . 6874 2 402 . 2 2 40 40 ILE HD12 H 1 0.94 0.002 . 1 . . . . . . . . 6874 2 403 . 2 2 40 40 ILE HD13 H 1 0.94 0.002 . 1 . . . . . . . . 6874 2 404 . 2 2 40 40 ILE CD1 C 13 13.5 0.000 . 1 . . . . . . . . 6874 2 405 . 2 2 41 41 ASP N N 15 119.3 0.000 . 1 . . . . . . . . 6874 2 406 . 2 2 41 41 ASP H H 1 8.69 0.000 . 1 . . . . . . . . 6874 2 407 . 2 2 41 41 ASP CA C 13 56.1 0.000 . 1 . . . . . . . . 6874 2 408 . 2 2 41 41 ASP HA H 1 3.98 0.001 . 1 . . . . . . . . 6874 2 409 . 2 2 41 41 ASP CB C 13 39.0 0.000 . 1 . . . . . . . . 6874 2 410 . 2 2 41 41 ASP HB2 H 1 2.57 0.005 . 2 . . . . . . . . 6874 2 411 . 2 2 41 41 ASP HB3 H 1 2.47 0.000 . 2 . . . . . . . . 6874 2 412 . 2 2 42 42 LYS N N 15 118.8 0.000 . 1 . . . . . . . . 6874 2 413 . 2 2 42 42 LYS H H 1 7.61 0.000 . 1 . . . . . . . . 6874 2 414 . 2 2 42 42 LYS CA C 13 57.1 0.000 . 1 . . . . . . . . 6874 2 415 . 2 2 42 42 LYS HA H 1 4.11 0.002 . 1 . . . . . . . . 6874 2 416 . 2 2 42 42 LYS CB C 13 32.3 0.000 . 1 . . . . . . . . 6874 2 417 . 2 2 42 42 LYS HB2 H 1 1.85 0.000 . 2 . . . . . . . . 6874 2 418 . 2 2 42 42 LYS HB3 H 1 1.80 0.000 . 2 . . . . . . . . 6874 2 419 . 2 2 42 42 LYS CG C 13 24.8 0.000 . 1 . . . . . . . . 6874 2 420 . 2 2 42 42 LYS HG2 H 1 1.46 0.007 . 2 . . . . . . . . 6874 2 421 . 2 2 42 42 LYS HG3 H 1 1.38 0.000 . 2 . . . . . . . . 6874 2 422 . 2 2 42 42 LYS CD C 13 28.8 0.000 . 1 . . . . . . . . 6874 2 423 . 2 2 42 42 LYS HD2 H 1 1.66 0.002 . 2 . . . . . . . . 6874 2 424 . 2 2 42 42 LYS HD3 H 1 1.64 0.000 . 2 . . . . . . . . 6874 2 425 . 2 2 42 42 LYS CE C 13 41.9 0.000 . 1 . . . . . . . . 6874 2 426 . 2 2 42 42 LYS HE2 H 1 2.99 0.003 . 1 . . . . . . . . 6874 2 427 . 2 2 42 42 LYS HE3 H 1 2.99 0.000 . 1 . . . . . . . . 6874 2 428 . 2 2 43 43 LEU N N 15 120.9 0.000 . 1 . . . . . . . . 6874 2 429 . 2 2 43 43 LEU H H 1 7.63 0.002 . 1 . . . . . . . . 6874 2 430 . 2 2 43 43 LEU CA C 13 56.7 0.000 . 1 . . . . . . . . 6874 2 431 . 2 2 43 43 LEU HA H 1 4.15 0.002 . 1 . . . . . . . . 6874 2 432 . 2 2 43 43 LEU CB C 13 42.2 0.000 . 1 . . . . . . . . 6874 2 433 . 2 2 43 43 LEU HB2 H 1 1.76 0.000 . 2 . . . . . . . . 6874 2 434 . 2 2 43 43 LEU HB3 H 1 1.57 0.000 . 2 . . . . . . . . 6874 2 435 . 2 2 43 43 LEU HD11 H 1 0.88 0.000 . 2 . . . . . . . . 6874 2 436 . 2 2 43 43 LEU HD12 H 1 0.88 0.000 . 2 . . . . . . . . 6874 2 437 . 2 2 43 43 LEU HD13 H 1 0.88 0.000 . 2 . . . . . . . . 6874 2 438 . 2 2 43 43 LEU HD21 H 1 0.83 0.000 . 2 . . . . . . . . 6874 2 439 . 2 2 43 43 LEU HD22 H 1 0.83 0.000 . 2 . . . . . . . . 6874 2 440 . 2 2 43 43 LEU HD23 H 1 0.83 0.000 . 2 . . . . . . . . 6874 2 441 . 2 2 43 43 LEU CD1 C 13 24.9 0.000 . 1 . . . . . . . . 6874 2 442 . 2 2 43 43 LEU CD2 C 13 23.7 0.000 . 1 . . . . . . . . 6874 2 443 . 2 2 44 44 VAL N N 15 117.4 0.000 . 1 . . . . . . . . 6874 2 444 . 2 2 44 44 VAL H H 1 7.79 0.000 . 1 . . . . . . . . 6874 2 445 . 2 2 44 44 VAL CA C 13 63.7 0.000 . 1 . . . . . . . . 6874 2 446 . 2 2 44 44 VAL HA H 1 3.82 0.001 . 1 . . . . . . . . 6874 2 447 . 2 2 44 44 VAL CB C 13 32.1 0.034 . 1 . . . . . . . . 6874 2 448 . 2 2 44 44 VAL HB H 1 2.01 0.002 . 1 . . . . . . . . 6874 2 449 . 2 2 44 44 VAL HG11 H 1 0.83 0.003 . 2 . . . . . . . . 6874 2 450 . 2 2 44 44 VAL HG12 H 1 0.83 0.003 . 2 . . . . . . . . 6874 2 451 . 2 2 44 44 VAL HG13 H 1 0.83 0.003 . 2 . . . . . . . . 6874 2 452 . 2 2 44 44 VAL HG21 H 1 0.80 0.001 . 2 . . . . . . . . 6874 2 453 . 2 2 44 44 VAL HG22 H 1 0.80 0.001 . 2 . . . . . . . . 6874 2 454 . 2 2 44 44 VAL HG23 H 1 0.80 0.001 . 2 . . . . . . . . 6874 2 455 . 2 2 44 44 VAL CG1 C 13 20.9 0.000 . 1 . . . . . . . . 6874 2 456 . 2 2 44 44 VAL CG2 C 13 21.3 0.000 . 1 . . . . . . . . 6874 2 457 . 2 2 45 45 GLN N N 15 120.2 0.000 . 1 . . . . . . . . 6874 2 458 . 2 2 45 45 GLN H H 1 7.93 0.003 . 1 . . . . . . . . 6874 2 459 . 2 2 45 45 GLN CA C 13 56.7 0.000 . 1 . . . . . . . . 6874 2 460 . 2 2 45 45 GLN HA H 1 4.16 0.002 . 1 . . . . . . . . 6874 2 461 . 2 2 45 45 GLN CB C 13 28.8 0.000 . 1 . . . . . . . . 6874 2 462 . 2 2 45 45 GLN HB2 H 1 2.13 0.002 . 2 . . . . . . . . 6874 2 463 . 2 2 45 45 GLN HB3 H 1 2.01 0.002 . 2 . . . . . . . . 6874 2 464 . 2 2 45 45 GLN CG C 13 33.7 0.000 . 1 . . . . . . . . 6874 2 465 . 2 2 45 45 GLN HG2 H 1 2.41 0.001 . 2 . . . . . . . . 6874 2 466 . 2 2 45 45 GLN HG3 H 1 2.35 0.007 . 2 . . . . . . . . 6874 2 467 . 2 2 46 46 GLY N N 15 108.5 0.000 . 1 . . . . . . . . 6874 2 468 . 2 2 46 46 GLY H H 1 8.09 0.000 . 1 . . . . . . . . 6874 2 469 . 2 2 46 46 GLY CA C 13 45.4 0.021 . 1 . . . . . . . . 6874 2 470 . 2 2 46 46 GLY HA2 H 1 3.99 0.000 . 1 . . . . . . . . 6874 2 471 . 2 2 46 46 GLY HA3 H 1 3.99 0.000 . 1 . . . . . . . . 6874 2 472 . 2 2 47 47 GLY N N 15 108.7 0.000 . 1 . . . . . . . . 6874 2 473 . 2 2 47 47 GLY H H 1 8.15 0.000 . 1 . . . . . . . . 6874 2 474 . 2 2 47 47 GLY CA C 13 45.1 0.028 . 1 . . . . . . . . 6874 2 475 . 2 2 47 47 GLY HA2 H 1 3.99 0.000 . 1 . . . . . . . . 6874 2 476 . 2 2 47 47 GLY HA3 H 1 3.99 0.000 . 1 . . . . . . . . 6874 2 477 . 2 2 48 48 GLY N N 15 109.0 0.000 . 1 . . . . . . . . 6874 2 478 . 2 2 48 48 GLY H H 1 8.34 0.001 . 1 . . . . . . . . 6874 2 479 . 2 2 48 48 GLY CA C 13 45.2 0.024 . 1 . . . . . . . . 6874 2 480 . 2 2 48 48 GLY HA2 H 1 3.96 0.000 . 1 . . . . . . . . 6874 2 481 . 2 2 48 48 GLY HA3 H 1 3.96 0.000 . 1 . . . . . . . . 6874 2 482 . 2 2 49 49 LEU N N 15 121.2 0.000 . 1 . . . . . . . . 6874 2 483 . 2 2 49 49 LEU H H 1 8.11 0.003 . 1 . . . . . . . . 6874 2 484 . 2 2 49 49 LEU CA C 13 54.9 0.000 . 1 . . . . . . . . 6874 2 485 . 2 2 49 49 LEU HA H 1 4.35 0.000 . 1 . . . . . . . . 6874 2 486 . 2 2 49 49 LEU CB C 13 42.1 0.000 . 1 . . . . . . . . 6874 2 487 . 2 2 49 49 LEU HB2 H 1 1.62 0.000 . 2 . . . . . . . . 6874 2 488 . 2 2 49 49 LEU HD11 H 1 0.92 0.000 . 2 . . . . . . . . 6874 2 489 . 2 2 49 49 LEU HD12 H 1 0.92 0.000 . 2 . . . . . . . . 6874 2 490 . 2 2 49 49 LEU HD13 H 1 0.92 0.000 . 2 . . . . . . . . 6874 2 491 . 2 2 49 49 LEU HD21 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2 492 . 2 2 49 49 LEU HD22 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2 493 . 2 2 49 49 LEU HD23 H 1 0.87 0.000 . 2 . . . . . . . . 6874 2 494 . 2 2 50 50 ASP N N 15 120.9 0.000 . 1 . . . . . . . . 6874 2 495 . 2 2 50 50 ASP H H 1 8.36 0.000 . 1 . . . . . . . . 6874 2 496 . 2 2 50 50 ASP CA C 13 54.5 0.000 . 1 . . . . . . . . 6874 2 497 . 2 2 50 50 ASP HA H 1 4.58 0.002 . 1 . . . . . . . . 6874 2 498 . 2 2 50 50 ASP CB C 13 40.9 0.000 . 1 . . . . . . . . 6874 2 499 . 2 2 50 50 ASP HB2 H 1 2.73 0.001 . 2 . . . . . . . . 6874 2 500 . 2 2 50 50 ASP HB3 H 1 2.64 0.000 . 2 . . . . . . . . 6874 2 501 . 2 2 51 51 VAL N N 15 119.3 0.000 . 1 . . . . . . . . 6874 2 502 . 2 2 51 51 VAL H H 1 7.86 0.002 . 1 . . . . . . . . 6874 2 503 . 2 2 51 51 VAL CA C 13 63.7 0.000 . 1 . . . . . . . . 6874 2 504 . 2 2 51 51 VAL HA H 1 3.95 0.002 . 1 . . . . . . . . 6874 2 505 . 2 2 51 51 VAL CB C 13 32.1 0.000 . 1 . . . . . . . . 6874 2 506 . 2 2 51 51 VAL HB H 1 2.14 0.001 . 1 . . . . . . . . 6874 2 507 . 2 2 51 51 VAL HG11 H 1 0.96 0.001 . 2 . . . . . . . . 6874 2 508 . 2 2 51 51 VAL HG12 H 1 0.96 0.001 . 2 . . . . . . . . 6874 2 509 . 2 2 51 51 VAL HG13 H 1 0.96 0.001 . 2 . . . . . . . . 6874 2 510 . 2 2 51 51 VAL HG21 H 1 0.93 0.003 . 2 . . . . . . . . 6874 2 511 . 2 2 51 51 VAL HG22 H 1 0.93 0.003 . 2 . . . . . . . . 6874 2 512 . 2 2 51 51 VAL HG23 H 1 0.93 0.003 . 2 . . . . . . . . 6874 2 513 . 2 2 51 51 VAL CG1 C 13 21.0 0.000 . 1 . . . . . . . . 6874 2 514 . 2 2 51 51 VAL CG2 C 13 21.3 0.000 . 1 . . . . . . . . 6874 2 515 . 2 2 52 52 LEU N N 15 122.6 0.000 . 1 . . . . . . . . 6874 2 516 . 2 2 52 52 LEU H H 1 8.10 0.000 . 1 . . . . . . . . 6874 2 517 . 2 2 52 52 LEU CA C 13 55.9 0.000 . 1 . . . . . . . . 6874 2 518 . 2 2 52 52 LEU HA H 1 4.22 0.001 . 1 . . . . . . . . 6874 2 519 . 2 2 52 52 LEU CB C 13 41.9 0.000 . 1 . . . . . . . . 6874 2 520 . 2 2 52 52 LEU HB2 H 1 1.65 0.004 . 2 . . . . . . . . 6874 2 521 . 2 2 52 52 LEU HD11 H 1 0.90 0.001 . 2 . . . . . . . . 6874 2 522 . 2 2 52 52 LEU HD12 H 1 0.90 0.001 . 2 . . . . . . . . 6874 2 523 . 2 2 52 52 LEU HD13 H 1 0.90 0.001 . 2 . . . . . . . . 6874 2 524 . 2 2 52 52 LEU HD21 H 1 0.84 0.001 . 2 . . . . . . . . 6874 2 525 . 2 2 52 52 LEU HD22 H 1 0.84 0.001 . 2 . . . . . . . . 6874 2 526 . 2 2 52 52 LEU HD23 H 1 0.84 0.001 . 2 . . . . . . . . 6874 2 527 . 2 2 52 52 LEU CD1 C 13 25.1 0.000 . 1 . . . . . . . . 6874 2 528 . 2 2 52 52 LEU CD2 C 13 23.7 0.000 . 1 . . . . . . . . 6874 2 529 . 2 2 53 53 SER N N 15 115.3 0.000 . 1 . . . . . . . . 6874 2 530 . 2 2 53 53 SER H H 1 8.07 0.001 . 1 . . . . . . . . 6874 2 531 . 2 2 53 53 SER CA C 13 59.4 0.000 . 1 . . . . . . . . 6874 2 532 . 2 2 53 53 SER HA H 1 4.29 0.003 . 1 . . . . . . . . 6874 2 533 . 2 2 53 53 SER CB C 13 63.0 0.000 . 1 . . . . . . . . 6874 2 534 . 2 2 53 53 SER HB2 H 1 3.92 0.004 . 2 . . . . . . . . 6874 2 535 . 2 2 53 53 SER HB3 H 1 3.84 0.000 . 2 . . . . . . . . 6874 2 536 . 2 2 56 56 VAL N N 15 124.0 0.000 . 1 . . . . . . . . 6874 2 537 . 2 2 56 56 VAL H H 1 8.16 0.000 . 1 . . . . . . . . 6874 2 538 . 2 2 56 56 VAL CA C 13 59.6 0.000 . 1 . . . . . . . . 6874 2 539 . 2 2 56 56 VAL HA H 1 4.38 0.003 . 1 . . . . . . . . 6874 2 540 . 2 2 56 56 VAL CB C 13 32.6 0.000 . 1 . . . . . . . . 6874 2 541 . 2 2 56 56 VAL HB H 1 2.09 0.000 . 1 . . . . . . . . 6874 2 542 . 2 2 56 56 VAL HG11 H 1 0.93 0.006 . 2 . . . . . . . . 6874 2 543 . 2 2 56 56 VAL HG12 H 1 0.93 0.006 . 2 . . . . . . . . 6874 2 544 . 2 2 56 56 VAL HG13 H 1 0.93 0.006 . 2 . . . . . . . . 6874 2 545 . 2 2 56 56 VAL HG21 H 1 0.91 0.004 . 2 . . . . . . . . 6874 2 546 . 2 2 56 56 VAL HG22 H 1 0.91 0.004 . 2 . . . . . . . . 6874 2 547 . 2 2 56 56 VAL HG23 H 1 0.91 0.004 . 2 . . . . . . . . 6874 2 548 . 2 2 56 56 VAL CG1 C 13 21.0 0.000 . 1 . . . . . . . . 6874 2 549 . 2 2 56 56 VAL CG2 C 13 20.5 0.000 . 1 . . . . . . . . 6874 2 550 . 2 2 57 57 PRO CD C 13 50.8 0.000 . 1 . . . . . . . . 6874 2 551 . 2 2 57 57 PRO CA C 13 63.0 0.000 . 1 . . . . . . . . 6874 2 552 . 2 2 57 57 PRO HA H 1 4.42 0.001 . 1 . . . . . . . . 6874 2 553 . 2 2 57 57 PRO CB C 13 32.0 0.000 . 1 . . . . . . . . 6874 2 554 . 2 2 57 57 PRO HB2 H 1 2.28 0.004 . 2 . . . . . . . . 6874 2 555 . 2 2 57 57 PRO HB3 H 1 1.89 0.002 . 2 . . . . . . . . 6874 2 556 . 2 2 57 57 PRO CG C 13 27.4 0.000 . 1 . . . . . . . . 6874 2 557 . 2 2 57 57 PRO HG2 H 1 2.04 0.003 . 2 . . . . . . . . 6874 2 558 . 2 2 57 57 PRO HG3 H 1 1.95 0.001 . 2 . . . . . . . . 6874 2 559 . 2 2 57 57 PRO HD2 H 1 3.82 0.002 . 2 . . . . . . . . 6874 2 560 . 2 2 57 57 PRO HD3 H 1 3.62 0.001 . 2 . . . . . . . . 6874 2 561 . 2 2 58 58 ARG N N 15 122.3 0.000 . 1 . . . . . . . . 6874 2 562 . 2 2 58 58 ARG H H 1 8.51 0.000 . 1 . . . . . . . . 6874 2 563 . 2 2 58 58 ARG CA C 13 56.5 0.000 . 1 . . . . . . . . 6874 2 564 . 2 2 58 58 ARG HA H 1 4.27 0.000 . 1 . . . . . . . . 6874 2 565 . 2 2 58 58 ARG CB C 13 30.7 0.000 . 1 . . . . . . . . 6874 2 566 . 2 2 58 58 ARG HB2 H 1 1.86 0.001 . 2 . . . . . . . . 6874 2 567 . 2 2 58 58 ARG HB3 H 1 1.80 0.000 . 2 . . . . . . . . 6874 2 568 . 2 2 58 58 ARG CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2 569 . 2 2 58 58 ARG HG2 H 1 1.67 0.000 . 1 . . . . . . . . 6874 2 570 . 2 2 58 58 ARG HG3 H 1 1.67 0.001 . 1 . . . . . . . . 6874 2 571 . 2 2 58 58 ARG CD C 13 43.3 0.000 . 1 . . . . . . . . 6874 2 572 . 2 2 58 58 ARG HD2 H 1 3.19 0.002 . 1 . . . . . . . . 6874 2 573 . 2 2 58 58 ARG HD3 H 1 3.19 0.002 . 1 . . . . . . . . 6874 2 574 . 2 2 59 59 GLY N N 15 110.8 0.000 . 1 . . . . . . . . 6874 2 575 . 2 2 59 59 GLY H H 1 8.54 0.003 . 1 . . . . . . . . 6874 2 576 . 2 2 59 59 GLY CA C 13 45.1 0.003 . 1 . . . . . . . . 6874 2 577 . 2 2 59 59 GLY HA2 H 1 3.97 0.000 . 1 . . . . . . . . 6874 2 578 . 2 2 59 59 GLY HA3 H 1 3.97 0.000 . 1 . . . . . . . . 6874 2 579 . 2 2 60 60 SER N N 15 116.0 0.000 . 1 . . . . . . . . 6874 2 580 . 2 2 60 60 SER H H 1 8.19 0.001 . 1 . . . . . . . . 6874 2 581 . 2 2 60 60 SER CA C 13 58.6 0.000 . 1 . . . . . . . . 6874 2 582 . 2 2 60 60 SER HA H 1 4.42 0.001 . 1 . . . . . . . . 6874 2 583 . 2 2 60 60 SER CB C 13 63.7 0.000 . 1 . . . . . . . . 6874 2 584 . 2 2 60 60 SER HB2 H 1 3.88 0.002 . 2 . . . . . . . . 6874 2 585 . 2 2 60 60 SER HB3 H 1 3.83 0.002 . 2 . . . . . . . . 6874 2 586 . 2 2 61 61 LEU N N 15 124.2 0.000 . 1 . . . . . . . . 6874 2 587 . 2 2 61 61 LEU H H 1 8.33 0.002 . 1 . . . . . . . . 6874 2 588 . 2 2 61 61 LEU CA C 13 55.2 0.000 . 1 . . . . . . . . 6874 2 589 . 2 2 61 61 LEU HA H 1 4.33 0.002 . 1 . . . . . . . . 6874 2 590 . 2 2 61 61 LEU CB C 13 42.1 0.000 . 1 . . . . . . . . 6874 2 591 . 2 2 61 61 LEU HB2 H 1 1.59 0.004 . 2 . . . . . . . . 6874 2 592 . 2 2 61 61 LEU HB3 H 1 1.55 0.000 . 2 . . . . . . . . 6874 2 593 . 2 2 61 61 LEU CG C 13 26.9 0.000 . 1 . . . . . . . . 6874 2 594 . 2 2 61 61 LEU HG H 1 1.69 0.012 . 1 . . . . . . . . 6874 2 595 . 2 2 61 61 LEU HD11 H 1 0.89 0.001 . 2 . . . . . . . . 6874 2 596 . 2 2 61 61 LEU HD12 H 1 0.89 0.001 . 2 . . . . . . . . 6874 2 597 . 2 2 61 61 LEU HD13 H 1 0.89 0.001 . 2 . . . . . . . . 6874 2 598 . 2 2 61 61 LEU HD21 H 1 0.83 0.001 . 2 . . . . . . . . 6874 2 599 . 2 2 61 61 LEU HD22 H 1 0.83 0.001 . 2 . . . . . . . . 6874 2 600 . 2 2 61 61 LEU HD23 H 1 0.83 0.001 . 2 . . . . . . . . 6874 2 601 . 2 2 61 61 LEU CD1 C 13 25.3 0.000 . 1 . . . . . . . . 6874 2 602 . 2 2 61 61 LEU CD2 C 13 23.4 0.000 . 1 . . . . . . . . 6874 2 stop_ save_