data_25469 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25469 _Entry.Title ; Solution structure of hnRNP C RRM in complex with 5'-UUUUC-3' RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-05 _Entry.Accession_date 2015-02-05 _Entry.Last_release_date 2015-04-09 _Entry.Original_release_date 2015-04-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zuzana Cienikova . . . 25469 2 Fred Damberger . F. . 25469 3 Jonathan Hall . . . 25469 4 Frederic Allain . H-T . 25469 5 Christophe Maris . . . 25469 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25469 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 25469 RRM . 25469 complex . 25469 'hnRNP C' . 25469 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25469 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 25469 '15N chemical shifts' 117 25469 '1H chemical shifts' 776 25469 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 . . 2015-04-09 . original BMRB . 25469 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MZ1 'BMRB Entry Tracking System' 25469 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25469 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/ja507690d _Citation.PubMed_ID 25216038 _Citation.Full_citation . _Citation.Title ; Structural and mechanistic insights into poly(uridine) tract recognition by the hnRNP C RNA recognition motif. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 136 _Citation.Journal_issue 41 _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 14536 _Citation.Page_last 14544 _Citation.Year 2014 _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 Zuzana Cienikova . . . 25469 1 2 Fred Damberger . F. . 25469 1 3 Jonathan Hall . . . 25469 1 4 Frederic Allain . H-T . 25469 1 5 Christophe Maris . . . 25469 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25469 _Assembly.ID 1 _Assembly.Name "hnRNP C RRM in complex with 5'-UUUUC-3' RNA" _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hnRNP C RRM' 1 $entity_1 A . yes native no no . . . 25469 1 2 "RNA (5'-R(*UP*UP*UP*UP*C)-3')" 2 $RNA_(5'-R(*UP*UP*UP*UP*C)-3') B . yes native no no . . . 25469 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25469 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASNVTNKTDPRSMNSRVFIG NLNTLVVKKSDVEAIFSKYG KIVGCSVHKGFAFVQYVNER NARAAVAGEDGRMIAGQVLD INLAAEPKVNRGKAGVKRSA AEMYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'hnRNP C RRM' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11292.014 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P07910 . hnRNPC . . . . . . . . . . . . . . 25469 1 2 no BMRB 25436 . hnRNP_C . . . . . 100.00 105 100.00 100.00 2.68e-68 . . . . 25469 1 3 no PDB 2MXY . "Solution Structure Of Hnrnp C Rrm In Complex With 5'-auuuuuc-3' Rna" . . . . . 100.00 105 100.00 100.00 2.68e-68 . . . . 25469 1 4 no PDB 2MZ1 . "Solution Structure Of Hnrnp C Rrm In Complex With 5'-uuuuc-3' Rna" . . . . . 100.00 105 100.00 100.00 2.68e-68 . . . . 25469 1 5 no DBJ BAB27553 . "unnamed protein product [Mus musculus]" . . . . . 100.00 300 100.00 100.00 1.03e-67 . . . . 25469 1 6 no DBJ BAB28370 . "unnamed protein product [Mus musculus]" . . . . . 100.00 300 100.00 100.00 1.03e-67 . . . . 25469 1 7 no DBJ BAB31934 . "unnamed protein product [Mus musculus]" . . . . . 100.00 293 100.00 100.00 9.19e-68 . . . . 25469 1 8 no DBJ BAC40233 . "unnamed protein product [Mus musculus]" . . . . . 100.00 313 100.00 100.00 1.01e-67 . . . . 25469 1 9 no DBJ BAC40499 . "unnamed protein product [Mus musculus]" . . . . . 100.00 306 100.00 100.00 1.17e-67 . . . . 25469 1 10 no EMBL CAD61934 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.00e-67 . . . . 25469 1 11 no EMBL CAD62326 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.00e-67 . . . . 25469 1 12 no EMBL CAH91328 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 306 100.00 100.00 1.25e-67 . . . . 25469 1 13 no GB AAA36576 . "hnRNP C2 protein [Homo sapiens]" . . . . . 100.00 303 100.00 100.00 1.83e-67 . . . . 25469 1 14 no GB AAA52680 . "C protein [Homo sapiens]" . . . . . 100.00 290 100.00 100.00 1.54e-67 . . . . 25469 1 15 no GB AAC61695 . "heterogeneous nuclear ribonucleoprotein C [Oryctolagus cuniculus]" . . . . . 100.00 306 100.00 100.00 1.10e-67 . . . . 25469 1 16 no GB AAD03717 . "heterogeneous nuclear ribonucleoprotein C1/C2 [Mus musculus]" . . . . . 100.00 313 100.00 100.00 1.01e-67 . . . . 25469 1 17 no GB AAH03394 . "Heterogeneous nuclear ribonucleoprotein C (C1/C2) [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.00e-67 . . . . 25469 1 18 no REF NP_001029567 . "heterogeneous nuclear ribonucleoproteins C1/C2 [Bos taurus]" . . . . . 100.00 294 100.00 100.00 1.12e-67 . . . . 25469 1 19 no REF NP_001070910 . "heterogeneous nuclear ribonucleoproteins C1/C2 isoform a [Homo sapiens]" . . . . . 100.00 306 100.00 100.00 1.25e-67 . . . . 25469 1 20 no REF NP_001070911 . "heterogeneous nuclear ribonucleoproteins C1/C2 isoform b [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.00e-67 . . . . 25469 1 21 no REF NP_001075507 . "heterogeneous nuclear ribonucleoprotein C [Oryctolagus cuniculus]" . . . . . 100.00 306 100.00 100.00 1.10e-67 . . . . 25469 1 22 no REF NP_001125784 . "heterogeneous nuclear ribonucleoprotein C [Pongo abelii]" . . . . . 100.00 306 100.00 100.00 1.25e-67 . . . . 25469 1 23 no SP G3V9R8 . "RecName: Full=Heterogeneous nuclear ribonucleoprotein C; Short=hnRNP C; AltName: Full=hnRNP core protein C" . . . . . 100.00 298 100.00 100.00 9.02e-68 . . . . 25469 1 24 no SP O77768 . "RecName: Full=Heterogeneous nuclear ribonucleoprotein C; Short=hnRNP C" . . . . . 100.00 306 100.00 100.00 1.10e-67 . . . . 25469 1 25 no SP P07910 . "RecName: Full=Heterogeneous nuclear ribonucleoproteins C1/C2; Short=hnRNP C1/C2" . . . . . 100.00 306 100.00 100.00 1.25e-67 . . . . 25469 1 26 no SP Q5RA82 . "RecName: Full=Heterogeneous nuclear ribonucleoprotein C; Short=hnRNP C" . . . . . 100.00 306 100.00 100.00 1.25e-67 . . . . 25469 1 27 no SP Q9Z204 . "RecName: Full=Heterogeneous nuclear ribonucleoproteins C1/C2; Short=hnRNP C1/C2" . . . . . 100.00 313 100.00 100.00 1.01e-67 . . . . 25469 1 28 no TPG DAA25480 . "TPA: heterogeneous nuclear ribonucleoprotein C [Bos taurus]" . . . . . 100.00 294 100.00 100.00 1.12e-67 . . . . 25469 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 ALA . 25469 1 2 3 SER . 25469 1 3 4 ASN . 25469 1 4 5 VAL . 25469 1 5 6 THR . 25469 1 6 7 ASN . 25469 1 7 8 LYS . 25469 1 8 9 THR . 25469 1 9 10 ASP . 25469 1 10 11 PRO . 25469 1 11 12 ARG . 25469 1 12 13 SER . 25469 1 13 14 MET . 25469 1 14 15 ASN . 25469 1 15 16 SER . 25469 1 16 17 ARG . 25469 1 17 18 VAL . 25469 1 18 19 PHE . 25469 1 19 20 ILE . 25469 1 20 21 GLY . 25469 1 21 22 ASN . 25469 1 22 23 LEU . 25469 1 23 24 ASN . 25469 1 24 25 THR . 25469 1 25 26 LEU . 25469 1 26 27 VAL . 25469 1 27 28 VAL . 25469 1 28 29 LYS . 25469 1 29 30 LYS . 25469 1 30 31 SER . 25469 1 31 32 ASP . 25469 1 32 33 VAL . 25469 1 33 34 GLU . 25469 1 34 35 ALA . 25469 1 35 36 ILE . 25469 1 36 37 PHE . 25469 1 37 38 SER . 25469 1 38 39 LYS . 25469 1 39 40 TYR . 25469 1 40 41 GLY . 25469 1 41 42 LYS . 25469 1 42 43 ILE . 25469 1 43 44 VAL . 25469 1 44 45 GLY . 25469 1 45 46 CYS . 25469 1 46 47 SER . 25469 1 47 48 VAL . 25469 1 48 49 HIS . 25469 1 49 50 LYS . 25469 1 50 51 GLY . 25469 1 51 52 PHE . 25469 1 52 53 ALA . 25469 1 53 54 PHE . 25469 1 54 55 VAL . 25469 1 55 56 GLN . 25469 1 56 57 TYR . 25469 1 57 58 VAL . 25469 1 58 59 ASN . 25469 1 59 60 GLU . 25469 1 60 61 ARG . 25469 1 61 62 ASN . 25469 1 62 63 ALA . 25469 1 63 64 ARG . 25469 1 64 65 ALA . 25469 1 65 66 ALA . 25469 1 66 67 VAL . 25469 1 67 68 ALA . 25469 1 68 69 GLY . 25469 1 69 70 GLU . 25469 1 70 71 ASP . 25469 1 71 72 GLY . 25469 1 72 73 ARG . 25469 1 73 74 MET . 25469 1 74 75 ILE . 25469 1 75 76 ALA . 25469 1 76 77 GLY . 25469 1 77 78 GLN . 25469 1 78 79 VAL . 25469 1 79 80 LEU . 25469 1 80 81 ASP . 25469 1 81 82 ILE . 25469 1 82 83 ASN . 25469 1 83 84 LEU . 25469 1 84 85 ALA . 25469 1 85 86 ALA . 25469 1 86 87 GLU . 25469 1 87 88 PRO . 25469 1 88 89 LYS . 25469 1 89 90 VAL . 25469 1 90 91 ASN . 25469 1 91 92 ARG . 25469 1 92 93 GLY . 25469 1 93 94 LYS . 25469 1 94 95 ALA . 25469 1 95 96 GLY . 25469 1 96 97 VAL . 25469 1 97 98 LYS . 25469 1 98 99 ARG . 25469 1 99 100 SER . 25469 1 100 101 ALA . 25469 1 101 102 ALA . 25469 1 102 103 GLU . 25469 1 103 104 MET . 25469 1 104 105 TYR . 25469 1 105 106 GLY . 25469 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 25469 1 . SER 2 2 25469 1 . ASN 3 3 25469 1 . VAL 4 4 25469 1 . THR 5 5 25469 1 . ASN 6 6 25469 1 . LYS 7 7 25469 1 . THR 8 8 25469 1 . ASP 9 9 25469 1 . PRO 10 10 25469 1 . ARG 11 11 25469 1 . SER 12 12 25469 1 . MET 13 13 25469 1 . ASN 14 14 25469 1 . SER 15 15 25469 1 . ARG 16 16 25469 1 . VAL 17 17 25469 1 . PHE 18 18 25469 1 . ILE 19 19 25469 1 . GLY 20 20 25469 1 . ASN 21 21 25469 1 . LEU 22 22 25469 1 . ASN 23 23 25469 1 . THR 24 24 25469 1 . LEU 25 25 25469 1 . VAL 26 26 25469 1 . VAL 27 27 25469 1 . LYS 28 28 25469 1 . LYS 29 29 25469 1 . SER 30 30 25469 1 . ASP 31 31 25469 1 . VAL 32 32 25469 1 . GLU 33 33 25469 1 . ALA 34 34 25469 1 . ILE 35 35 25469 1 . PHE 36 36 25469 1 . SER 37 37 25469 1 . LYS 38 38 25469 1 . TYR 39 39 25469 1 . GLY 40 40 25469 1 . LYS 41 41 25469 1 . ILE 42 42 25469 1 . VAL 43 43 25469 1 . GLY 44 44 25469 1 . CYS 45 45 25469 1 . SER 46 46 25469 1 . VAL 47 47 25469 1 . HIS 48 48 25469 1 . LYS 49 49 25469 1 . GLY 50 50 25469 1 . PHE 51 51 25469 1 . ALA 52 52 25469 1 . PHE 53 53 25469 1 . VAL 54 54 25469 1 . GLN 55 55 25469 1 . TYR 56 56 25469 1 . VAL 57 57 25469 1 . ASN 58 58 25469 1 . GLU 59 59 25469 1 . ARG 60 60 25469 1 . ASN 61 61 25469 1 . ALA 62 62 25469 1 . ARG 63 63 25469 1 . ALA 64 64 25469 1 . ALA 65 65 25469 1 . VAL 66 66 25469 1 . ALA 67 67 25469 1 . GLY 68 68 25469 1 . GLU 69 69 25469 1 . ASP 70 70 25469 1 . GLY 71 71 25469 1 . ARG 72 72 25469 1 . MET 73 73 25469 1 . ILE 74 74 25469 1 . ALA 75 75 25469 1 . GLY 76 76 25469 1 . GLN 77 77 25469 1 . VAL 78 78 25469 1 . LEU 79 79 25469 1 . ASP 80 80 25469 1 . ILE 81 81 25469 1 . ASN 82 82 25469 1 . LEU 83 83 25469 1 . ALA 84 84 25469 1 . ALA 85 85 25469 1 . GLU 86 86 25469 1 . PRO 87 87 25469 1 . LYS 88 88 25469 1 . VAL 89 89 25469 1 . ASN 90 90 25469 1 . ARG 91 91 25469 1 . GLY 92 92 25469 1 . LYS 93 93 25469 1 . ALA 94 94 25469 1 . GLY 95 95 25469 1 . VAL 96 96 25469 1 . LYS 97 97 25469 1 . ARG 98 98 25469 1 . SER 99 99 25469 1 . ALA 100 100 25469 1 . ALA 101 101 25469 1 . GLU 102 102 25469 1 . MET 103 103 25469 1 . TYR 104 104 25469 1 . GLY 105 105 25469 1 stop_ save_ save_RNA_(5'-R(*UP*UP*UP*UP*C)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*UP*UP*UP*UP*C)-3') _Entity.Entry_ID 25469 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*UP*UP*UP*UP*C)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UUUUC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1484.899 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . U . 25469 2 2 . U . 25469 2 3 . U . 25469 2 4 . U . 25469 2 5 . C . 25469 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 . U 1 1 25469 2 . U 2 2 25469 2 . U 3 3 25469 2 . U 4 4 25469 2 . C 5 5 25469 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 25469 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25469 1 2 2 $RNA_(5'-R(*UP*UP*UP*UP*C)-3') . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25469 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 25469 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli codon+ . . . . . pTYB11 . . . 25469 1 2 2 $RNA_(5'-R(*UP*UP*UP*UP*C)-3') . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25469 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25469 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 25469 1 2 "RNA (5'-R(*UP*UP*UP*UP*C)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*UP*UP*UP*UP*C)-3') . . 1.0 . . mM . . . . 25469 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25469 1 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 25469 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25469 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 25469 2 2 "RNA (5'-R(*UP*UP*UP*UP*C)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*UP*UP*UP*UP*C)-3') . . 1.0 . . mM . . . . 25469 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25469 2 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 25469 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25469 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 25469 3 2 "RNA (5'-R(*UP*UP*UP*UP*C)-3')" 'natural abundance' . . 2 $RNA_(5'-R(*UP*UP*UP*UP*C)-3') . . 1.0 . . mM . . . . 25469 3 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25469 3 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 25469 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25469 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.040 . M 25469 1 pH 6.5 . pH 25469 1 pressure 1 . atm 25469 1 temperature 293 . K 25469 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25469 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details 'ff99SB force-field' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25469 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25469 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25469 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25469 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25469 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25469 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25469 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25469 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25469 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25469 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 'with cryoprobe' . . 25469 1 2 spectrometer_2 Bruker AVIII . 600 'with cryoprobe' . . 25469 1 3 spectrometer_3 Bruker AVIII . 700 'with cryoprobe' . . 25469 1 4 spectrometer_4 Bruker AVIII . 500 'with cryoprobe' . . 25469 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 25469 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25469 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25469 1 3 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25469 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25469 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25469 1 6 '3D 1H-13C edited-filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25469 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25469 1 8 '2D 1H-1H NOESY filtered-edited' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25469 1 9 '2D 1H-1H NOESY filtered-filtered' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25469 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25469 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 25469 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 25469 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 25469 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25469 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25469 1 2 '2D 1H-13C HSQC' . . . 25469 1 3 '3D HNCACO' . . . 25469 1 4 '3D 1H-15N NOESY' . . . 25469 1 5 '3D 1H-13C NOESY aliphatic' . . . 25469 1 7 '2D 1H-1H TOCSY' . . . 25469 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.109 0.002 . 1 . . . A 2 ALA HA . 25469 1 2 . 1 1 1 1 ALA HB1 H 1 1.309 0.003 . 1 . . . A 2 ALA HB1 . 25469 1 3 . 1 1 1 1 ALA HB2 H 1 1.309 0.003 . 1 . . . A 2 ALA HB2 . 25469 1 4 . 1 1 1 1 ALA HB3 H 1 1.309 0.003 . 1 . . . A 2 ALA HB3 . 25469 1 5 . 1 1 1 1 ALA CA C 13 51.241 0.020 . 1 . . . A 2 ALA CA . 25469 1 6 . 1 1 1 1 ALA CB C 13 19.916 0.011 . 1 . . . A 2 ALA CB . 25469 1 7 . 1 1 2 2 SER HA H 1 4.553 0.005 . 1 . . . A 3 SER HA . 25469 1 8 . 1 1 2 2 SER HB2 H 1 4.233 0.002 . 2 . . . A 3 SER HB2 . 25469 1 9 . 1 1 2 2 SER HB3 H 1 4.080 0.002 . 2 . . . A 3 SER HB3 . 25469 1 10 . 1 1 2 2 SER C C 13 173.408 0.007 . 1 . . . A 3 SER C . 25469 1 11 . 1 1 2 2 SER CA C 13 58.273 0.020 . 1 . . . A 3 SER CA . 25469 1 12 . 1 1 2 2 SER CB C 13 63.940 0.009 . 1 . . . A 3 SER CB . 25469 1 13 . 1 1 3 3 ASN H H 1 8.774 0.001 . 1 . . . A 4 ASN H . 25469 1 14 . 1 1 3 3 ASN HA H 1 5.217 0.006 . 1 . . . A 4 ASN HA . 25469 1 15 . 1 1 3 3 ASN HB2 H 1 3.208 0.006 . 2 . . . A 4 ASN HB2 . 25469 1 16 . 1 1 3 3 ASN HB3 H 1 3.017 0.005 . 2 . . . A 4 ASN HB3 . 25469 1 17 . 1 1 3 3 ASN HD21 H 1 7.413 0.002 . 1 . . . A 4 ASN HD21 . 25469 1 18 . 1 1 3 3 ASN HD22 H 1 6.905 0.001 . 1 . . . A 4 ASN HD22 . 25469 1 19 . 1 1 3 3 ASN C C 13 176.243 0.024 . 1 . . . A 4 ASN C . 25469 1 20 . 1 1 3 3 ASN CA C 13 53.044 0.025 . 1 . . . A 4 ASN CA . 25469 1 21 . 1 1 3 3 ASN CB C 13 38.732 0.018 . 1 . . . A 4 ASN CB . 25469 1 22 . 1 1 3 3 ASN N N 15 120.235 0.024 . 1 . . . A 4 ASN N . 25469 1 23 . 1 1 3 3 ASN ND2 N 15 112.210 0.019 . 1 . . . A 4 ASN ND2 . 25469 1 24 . 1 1 4 4 VAL H H 1 8.315 0.003 . 1 . . . A 5 VAL H . 25469 1 25 . 1 1 4 4 VAL HA H 1 3.769 0.003 . 1 . . . A 5 VAL HA . 25469 1 26 . 1 1 4 4 VAL HB H 1 2.112 0.002 . 1 . . . A 5 VAL HB . 25469 1 27 . 1 1 4 4 VAL HG11 H 1 0.995 0.001 . 2 . . . A 5 VAL HG11 . 25469 1 28 . 1 1 4 4 VAL HG12 H 1 0.995 0.001 . 2 . . . A 5 VAL HG12 . 25469 1 29 . 1 1 4 4 VAL HG13 H 1 0.995 0.001 . 2 . . . A 5 VAL HG13 . 25469 1 30 . 1 1 4 4 VAL HG21 H 1 1.000 0.003 . 2 . . . A 5 VAL HG21 . 25469 1 31 . 1 1 4 4 VAL HG22 H 1 1.000 0.003 . 2 . . . A 5 VAL HG22 . 25469 1 32 . 1 1 4 4 VAL HG23 H 1 1.000 0.003 . 2 . . . A 5 VAL HG23 . 25469 1 33 . 1 1 4 4 VAL C C 13 177.223 0.018 . 1 . . . A 5 VAL C . 25469 1 34 . 1 1 4 4 VAL CA C 13 65.811 0.016 . 1 . . . A 5 VAL CA . 25469 1 35 . 1 1 4 4 VAL CB C 13 30.874 0.003 . 1 . . . A 5 VAL CB . 25469 1 36 . 1 1 4 4 VAL CG1 C 13 21.132 0.015 . 2 . . . A 5 VAL CG1 . 25469 1 37 . 1 1 4 4 VAL CG2 C 13 21.147 0.000 . 2 . . . A 5 VAL CG2 . 25469 1 38 . 1 1 4 4 VAL N N 15 122.554 0.046 . 1 . . . A 5 VAL N . 25469 1 39 . 1 1 5 5 THR H H 1 9.394 0.005 . 1 . . . A 6 THR H . 25469 1 40 . 1 1 5 5 THR HA H 1 4.678 0.005 . 1 . . . A 6 THR HA . 25469 1 41 . 1 1 5 5 THR HB H 1 4.506 0.007 . 1 . . . A 6 THR HB . 25469 1 42 . 1 1 5 5 THR HG21 H 1 0.876 0.004 . 1 . . . A 6 THR HG21 . 25469 1 43 . 1 1 5 5 THR HG22 H 1 0.876 0.004 . 1 . . . A 6 THR HG22 . 25469 1 44 . 1 1 5 5 THR HG23 H 1 0.876 0.004 . 1 . . . A 6 THR HG23 . 25469 1 45 . 1 1 5 5 THR C C 13 174.350 0.002 . 1 . . . A 6 THR C . 25469 1 46 . 1 1 5 5 THR CA C 13 60.560 0.013 . 1 . . . A 6 THR CA . 25469 1 47 . 1 1 5 5 THR CB C 13 69.833 0.037 . 1 . . . A 6 THR CB . 25469 1 48 . 1 1 5 5 THR CG2 C 13 20.511 0.014 . 1 . . . A 6 THR CG2 . 25469 1 49 . 1 1 5 5 THR N N 15 118.503 0.034 . 1 . . . A 6 THR N . 25469 1 50 . 1 1 6 6 ASN H H 1 7.976 0.002 . 1 . . . A 7 ASN H . 25469 1 51 . 1 1 6 6 ASN HA H 1 4.556 0.003 . 1 . . . A 7 ASN HA . 25469 1 52 . 1 1 6 6 ASN HB2 H 1 2.892 0.006 . 2 . . . A 7 ASN HB2 . 25469 1 53 . 1 1 6 6 ASN HB3 H 1 2.627 0.009 . 2 . . . A 7 ASN HB3 . 25469 1 54 . 1 1 6 6 ASN HD21 H 1 7.218 0.003 . 1 . . . A 7 ASN HD21 . 25469 1 55 . 1 1 6 6 ASN HD22 H 1 6.503 0.003 . 1 . . . A 7 ASN HD22 . 25469 1 56 . 1 1 6 6 ASN C C 13 176.866 0.002 . 1 . . . A 7 ASN C . 25469 1 57 . 1 1 6 6 ASN CA C 13 51.897 0.009 . 1 . . . A 7 ASN CA . 25469 1 58 . 1 1 6 6 ASN CB C 13 38.082 0.016 . 1 . . . A 7 ASN CB . 25469 1 59 . 1 1 6 6 ASN N N 15 120.872 0.023 . 1 . . . A 7 ASN N . 25469 1 60 . 1 1 6 6 ASN ND2 N 15 108.883 0.021 . 1 . . . A 7 ASN ND2 . 25469 1 61 . 1 1 7 7 LYS H H 1 8.572 0.005 . 1 . . . A 8 LYS H . 25469 1 62 . 1 1 7 7 LYS HA H 1 4.256 0.004 . 1 . . . A 8 LYS HA . 25469 1 63 . 1 1 7 7 LYS HB2 H 1 1.851 0.005 . 2 . . . A 8 LYS HB2 . 25469 1 64 . 1 1 7 7 LYS HB3 H 1 1.908 0.004 . 2 . . . A 8 LYS HB3 . 25469 1 65 . 1 1 7 7 LYS HG2 H 1 1.345 0.003 . 2 . . . A 8 LYS HG2 . 25469 1 66 . 1 1 7 7 LYS HG3 H 1 1.429 0.002 . 2 . . . A 8 LYS HG3 . 25469 1 67 . 1 1 7 7 LYS HD2 H 1 1.626 0.001 . 1 . . . A 8 LYS HD2 . 25469 1 68 . 1 1 7 7 LYS HD3 H 1 1.626 0.001 . 1 . . . A 8 LYS HD3 . 25469 1 69 . 1 1 7 7 LYS HE2 H 1 2.941 0.004 . 1 . . . A 8 LYS HE2 . 25469 1 70 . 1 1 7 7 LYS HE3 H 1 2.941 0.004 . 1 . . . A 8 LYS HE3 . 25469 1 71 . 1 1 7 7 LYS C C 13 180.142 0.009 . 1 . . . A 8 LYS C . 25469 1 72 . 1 1 7 7 LYS CA C 13 58.200 0.001 . 1 . . . A 8 LYS CA . 25469 1 73 . 1 1 7 7 LYS CB C 13 32.292 0.003 . 1 . . . A 8 LYS CB . 25469 1 74 . 1 1 7 7 LYS CG C 13 26.009 0.014 . 1 . . . A 8 LYS CG . 25469 1 75 . 1 1 7 7 LYS CD C 13 28.844 0.005 . 1 . . . A 8 LYS CD . 25469 1 76 . 1 1 7 7 LYS CE C 13 42.000 0.021 . 1 . . . A 8 LYS CE . 25469 1 77 . 1 1 7 7 LYS N N 15 121.728 0.031 . 1 . . . A 8 LYS N . 25469 1 78 . 1 1 8 8 THR H H 1 8.691 0.003 . 1 . . . A 9 THR H . 25469 1 79 . 1 1 8 8 THR HA H 1 4.463 0.005 . 1 . . . A 9 THR HA . 25469 1 80 . 1 1 8 8 THR HB H 1 4.543 0.009 . 1 . . . A 9 THR HB . 25469 1 81 . 1 1 8 8 THR HG21 H 1 1.089 0.005 . 1 . . . A 9 THR HG21 . 25469 1 82 . 1 1 8 8 THR HG22 H 1 1.089 0.005 . 1 . . . A 9 THR HG22 . 25469 1 83 . 1 1 8 8 THR HG23 H 1 1.089 0.005 . 1 . . . A 9 THR HG23 . 25469 1 84 . 1 1 8 8 THR C C 13 174.485 0.000 . 1 . . . A 9 THR C . 25469 1 85 . 1 1 8 8 THR CA C 13 61.246 0.013 . 1 . . . A 9 THR CA . 25469 1 86 . 1 1 8 8 THR CB C 13 69.039 0.024 . 1 . . . A 9 THR CB . 25469 1 87 . 1 1 8 8 THR CG2 C 13 21.339 0.004 . 1 . . . A 9 THR CG2 . 25469 1 88 . 1 1 8 8 THR N N 15 110.858 0.023 . 1 . . . A 9 THR N . 25469 1 89 . 1 1 9 9 ASP H H 1 7.907 0.002 . 1 . . . A 10 ASP H . 25469 1 90 . 1 1 9 9 ASP HA H 1 4.825 0.003 . 1 . . . A 10 ASP HA . 25469 1 91 . 1 1 9 9 ASP HB2 H 1 2.825 0.003 . 2 . . . A 10 ASP HB2 . 25469 1 92 . 1 1 9 9 ASP HB3 H 1 2.648 0.004 . 2 . . . A 10 ASP HB3 . 25469 1 93 . 1 1 9 9 ASP C C 13 173.946 0.036 . 1 . . . A 10 ASP C . 25469 1 94 . 1 1 9 9 ASP CA C 13 52.564 0.030 . 1 . . . A 10 ASP CA . 25469 1 95 . 1 1 9 9 ASP CB C 13 39.601 0.006 . 1 . . . A 10 ASP CB . 25469 1 96 . 1 1 9 9 ASP N N 15 121.014 0.017 . 1 . . . A 10 ASP N . 25469 1 97 . 1 1 10 10 PRO HA H 1 4.155 0.002 . 1 . . . A 11 PRO HA . 25469 1 98 . 1 1 10 10 PRO HB2 H 1 2.388 0.006 . 2 . . . A 11 PRO HB2 . 25469 1 99 . 1 1 10 10 PRO HB3 H 1 1.974 0.004 . 2 . . . A 11 PRO HB3 . 25469 1 100 . 1 1 10 10 PRO HG2 H 1 2.103 0.006 . 2 . . . A 11 PRO HG2 . 25469 1 101 . 1 1 10 10 PRO HG3 H 1 2.193 0.003 . 2 . . . A 11 PRO HG3 . 25469 1 102 . 1 1 10 10 PRO HD2 H 1 3.928 0.005 . 2 . . . A 11 PRO HD2 . 25469 1 103 . 1 1 10 10 PRO HD3 H 1 3.859 0.002 . 2 . . . A 11 PRO HD3 . 25469 1 104 . 1 1 10 10 PRO C C 13 178.421 0.000 . 1 . . . A 11 PRO C . 25469 1 105 . 1 1 10 10 PRO CA C 13 66.241 0.015 . 1 . . . A 11 PRO CA . 25469 1 106 . 1 1 10 10 PRO CB C 13 32.198 0.015 . 1 . . . A 11 PRO CB . 25469 1 107 . 1 1 10 10 PRO CG C 13 27.897 0.017 . 1 . . . A 11 PRO CG . 25469 1 108 . 1 1 10 10 PRO CD C 13 50.295 0.013 . 1 . . . A 11 PRO CD . 25469 1 109 . 1 1 11 11 ARG H H 1 7.940 0.002 . 1 . . . A 12 ARG H . 25469 1 110 . 1 1 11 11 ARG HA H 1 4.092 0.002 . 1 . . . A 12 ARG HA . 25469 1 111 . 1 1 11 11 ARG HB2 H 1 1.913 0.002 . 1 . . . A 12 ARG HB2 . 25469 1 112 . 1 1 11 11 ARG HB3 H 1 1.913 0.002 . 1 . . . A 12 ARG HB3 . 25469 1 113 . 1 1 11 11 ARG HG2 H 1 1.674 0.003 . 2 . . . A 12 ARG HG2 . 25469 1 114 . 1 1 11 11 ARG HG3 H 1 1.812 0.001 . 2 . . . A 12 ARG HG3 . 25469 1 115 . 1 1 11 11 ARG HD2 H 1 3.270 0.007 . 1 . . . A 12 ARG HD2 . 25469 1 116 . 1 1 11 11 ARG HD3 H 1 3.270 0.007 . 1 . . . A 12 ARG HD3 . 25469 1 117 . 1 1 11 11 ARG HE H 1 7.299 0.000 . 1 . . . A 12 ARG HE . 25469 1 118 . 1 1 11 11 ARG C C 13 180.446 0.009 . 1 . . . A 12 ARG C . 25469 1 119 . 1 1 11 11 ARG CA C 13 59.535 0.008 . 1 . . . A 12 ARG CA . 25469 1 120 . 1 1 11 11 ARG CB C 13 29.250 0.022 . 1 . . . A 12 ARG CB . 25469 1 121 . 1 1 11 11 ARG CG C 13 27.659 0.024 . 1 . . . A 12 ARG CG . 25469 1 122 . 1 1 11 11 ARG CD C 13 43.251 0.012 . 1 . . . A 12 ARG CD . 25469 1 123 . 1 1 11 11 ARG N N 15 116.361 0.033 . 1 . . . A 12 ARG N . 25469 1 124 . 1 1 12 12 SER H H 1 8.143 0.001 . 1 . . . A 13 SER H . 25469 1 125 . 1 1 12 12 SER HA H 1 4.052 0.003 . 1 . . . A 13 SER HA . 25469 1 126 . 1 1 12 12 SER HB2 H 1 3.609 0.003 . 2 . . . A 13 SER HB2 . 25469 1 127 . 1 1 12 12 SER HB3 H 1 3.350 0.005 . 2 . . . A 13 SER HB3 . 25469 1 128 . 1 1 12 12 SER C C 13 178.762 0.000 . 1 . . . A 13 SER C . 25469 1 129 . 1 1 12 12 SER CA C 13 61.529 0.011 . 1 . . . A 13 SER CA . 25469 1 130 . 1 1 12 12 SER CB C 13 61.778 0.036 . 1 . . . A 13 SER CB . 25469 1 131 . 1 1 12 12 SER N N 15 119.379 0.032 . 1 . . . A 13 SER N . 25469 1 132 . 1 1 13 13 MET H H 1 8.238 0.002 . 1 . . . A 14 MET H . 25469 1 133 . 1 1 13 13 MET HA H 1 4.097 0.013 . 1 . . . A 14 MET HA . 25469 1 134 . 1 1 13 13 MET HB2 H 1 2.368 0.004 . 2 . . . A 14 MET HB2 . 25469 1 135 . 1 1 13 13 MET HB3 H 1 2.508 0.004 . 2 . . . A 14 MET HB3 . 25469 1 136 . 1 1 13 13 MET HG2 H 1 2.034 0.003 . 2 . . . A 14 MET HG2 . 25469 1 137 . 1 1 13 13 MET HG3 H 1 1.919 0.002 . 2 . . . A 14 MET HG3 . 25469 1 138 . 1 1 13 13 MET HE1 H 1 1.953 0.005 . 1 . . . A 14 MET HE1 . 25469 1 139 . 1 1 13 13 MET HE2 H 1 1.953 0.005 . 1 . . . A 14 MET HE2 . 25469 1 140 . 1 1 13 13 MET HE3 H 1 1.953 0.005 . 1 . . . A 14 MET HE3 . 25469 1 141 . 1 1 13 13 MET C C 13 178.576 0.014 . 1 . . . A 14 MET C . 25469 1 142 . 1 1 13 13 MET CA C 13 58.293 0.018 . 1 . . . A 14 MET CA . 25469 1 143 . 1 1 13 13 MET CB C 13 31.813 0.025 . 1 . . . A 14 MET CB . 25469 1 144 . 1 1 13 13 MET CG C 13 31.410 0.027 . 1 . . . A 14 MET CG . 25469 1 145 . 1 1 13 13 MET CE C 13 16.244 0.017 . 1 . . . A 14 MET CE . 25469 1 146 . 1 1 13 13 MET N N 15 120.327 0.023 . 1 . . . A 14 MET N . 25469 1 147 . 1 1 14 14 ASN H H 1 7.968 0.002 . 1 . . . A 15 ASN H . 25469 1 148 . 1 1 14 14 ASN HA H 1 4.625 0.006 . 1 . . . A 15 ASN HA . 25469 1 149 . 1 1 14 14 ASN HB2 H 1 2.806 0.005 . 2 . . . A 15 ASN HB2 . 25469 1 150 . 1 1 14 14 ASN HB3 H 1 2.897 0.002 . 2 . . . A 15 ASN HB3 . 25469 1 151 . 1 1 14 14 ASN HD21 H 1 7.441 0.004 . 1 . . . A 15 ASN HD21 . 25469 1 152 . 1 1 14 14 ASN HD22 H 1 6.789 0.004 . 1 . . . A 15 ASN HD22 . 25469 1 153 . 1 1 14 14 ASN C C 13 172.556 0.007 . 1 . . . A 15 ASN C . 25469 1 154 . 1 1 14 14 ASN CA C 13 54.029 0.029 . 1 . . . A 15 ASN CA . 25469 1 155 . 1 1 14 14 ASN CB C 13 38.650 0.004 . 1 . . . A 15 ASN CB . 25469 1 156 . 1 1 14 14 ASN N N 15 115.378 0.026 . 1 . . . A 15 ASN N . 25469 1 157 . 1 1 14 14 ASN ND2 N 15 111.301 0.011 . 1 . . . A 15 ASN ND2 . 25469 1 158 . 1 1 15 15 SER H H 1 7.253 0.005 . 1 . . . A 16 SER H . 25469 1 159 . 1 1 15 15 SER HA H 1 4.495 0.007 . 1 . . . A 16 SER HA . 25469 1 160 . 1 1 15 15 SER HB2 H 1 3.328 0.003 . 2 . . . A 16 SER HB2 . 25469 1 161 . 1 1 15 15 SER HB3 H 1 3.795 0.002 . 2 . . . A 16 SER HB3 . 25469 1 162 . 1 1 15 15 SER C C 13 172.121 0.022 . 1 . . . A 16 SER C . 25469 1 163 . 1 1 15 15 SER CA C 13 56.785 0.001 . 1 . . . A 16 SER CA . 25469 1 164 . 1 1 15 15 SER CB C 13 63.428 0.016 . 1 . . . A 16 SER CB . 25469 1 165 . 1 1 15 15 SER N N 15 106.215 0.012 . 1 . . . A 16 SER N . 25469 1 166 . 1 1 16 16 ARG H H 1 7.405 0.007 . 1 . . . A 17 ARG H . 25469 1 167 . 1 1 16 16 ARG HA H 1 5.592 0.005 . 1 . . . A 17 ARG HA . 25469 1 168 . 1 1 16 16 ARG HB2 H 1 1.924 0.008 . 2 . . . A 17 ARG HB2 . 25469 1 169 . 1 1 16 16 ARG HB3 H 1 2.126 0.010 . 2 . . . A 17 ARG HB3 . 25469 1 170 . 1 1 16 16 ARG HG2 H 1 1.471 0.006 . 2 . . . A 17 ARG HG2 . 25469 1 171 . 1 1 16 16 ARG HG3 H 1 1.499 0.011 . 2 . . . A 17 ARG HG3 . 25469 1 172 . 1 1 16 16 ARG HD2 H 1 3.137 0.008 . 2 . . . A 17 ARG HD2 . 25469 1 173 . 1 1 16 16 ARG HD3 H 1 3.269 0.008 . 2 . . . A 17 ARG HD3 . 25469 1 174 . 1 1 16 16 ARG HE H 1 6.820 0.004 . 1 . . . A 17 ARG HE . 25469 1 175 . 1 1 16 16 ARG C C 13 174.491 0.012 . 1 . . . A 17 ARG C . 25469 1 176 . 1 1 16 16 ARG CA C 13 54.379 0.009 . 1 . . . A 17 ARG CA . 25469 1 177 . 1 1 16 16 ARG CB C 13 32.909 0.019 . 1 . . . A 17 ARG CB . 25469 1 178 . 1 1 16 16 ARG CG C 13 29.887 0.038 . 1 . . . A 17 ARG CG . 25469 1 179 . 1 1 16 16 ARG CD C 13 46.537 0.029 . 1 . . . A 17 ARG CD . 25469 1 180 . 1 1 16 16 ARG N N 15 123.348 0.020 . 1 . . . A 17 ARG N . 25469 1 181 . 1 1 16 16 ARG NE N 15 81.712 0.021 . 1 . . . A 17 ARG NE . 25469 1 182 . 1 1 17 17 VAL H H 1 9.260 0.007 . 1 . . . A 18 VAL H . 25469 1 183 . 1 1 17 17 VAL HA H 1 4.709 0.008 . 1 . . . A 18 VAL HA . 25469 1 184 . 1 1 17 17 VAL HB H 1 1.905 0.002 . 1 . . . A 18 VAL HB . 25469 1 185 . 1 1 17 17 VAL HG11 H 1 1.014 0.003 . 2 . . . A 18 VAL HG11 . 25469 1 186 . 1 1 17 17 VAL HG12 H 1 1.014 0.003 . 2 . . . A 18 VAL HG12 . 25469 1 187 . 1 1 17 17 VAL HG13 H 1 1.014 0.003 . 2 . . . A 18 VAL HG13 . 25469 1 188 . 1 1 17 17 VAL HG21 H 1 0.846 0.008 . 2 . . . A 18 VAL HG21 . 25469 1 189 . 1 1 17 17 VAL HG22 H 1 0.846 0.008 . 2 . . . A 18 VAL HG22 . 25469 1 190 . 1 1 17 17 VAL HG23 H 1 0.846 0.008 . 2 . . . A 18 VAL HG23 . 25469 1 191 . 1 1 17 17 VAL C C 13 174.863 0.046 . 1 . . . A 18 VAL C . 25469 1 192 . 1 1 17 17 VAL CA C 13 60.657 0.018 . 1 . . . A 18 VAL CA . 25469 1 193 . 1 1 17 17 VAL CB C 13 34.302 0.013 . 1 . . . A 18 VAL CB . 25469 1 194 . 1 1 17 17 VAL CG1 C 13 22.063 0.029 . 2 . . . A 18 VAL CG1 . 25469 1 195 . 1 1 17 17 VAL CG2 C 13 23.601 0.000 . 2 . . . A 18 VAL CG2 . 25469 1 196 . 1 1 17 17 VAL N N 15 122.328 0.016 . 1 . . . A 18 VAL N . 25469 1 197 . 1 1 18 18 PHE H H 1 9.159 0.002 . 1 . . . A 19 PHE H . 25469 1 198 . 1 1 18 18 PHE HA H 1 4.466 0.005 . 1 . . . A 19 PHE HA . 25469 1 199 . 1 1 18 18 PHE HB2 H 1 2.678 0.006 . 2 . . . A 19 PHE HB2 . 25469 1 200 . 1 1 18 18 PHE HB3 H 1 2.759 0.006 . 2 . . . A 19 PHE HB3 . 25469 1 201 . 1 1 18 18 PHE HD1 H 1 6.744 0.006 . 1 . . . A 19 PHE HD1 . 25469 1 202 . 1 1 18 18 PHE HD2 H 1 6.744 0.006 . 1 . . . A 19 PHE HD2 . 25469 1 203 . 1 1 18 18 PHE HE1 H 1 6.854 0.004 . 1 . . . A 19 PHE HE1 . 25469 1 204 . 1 1 18 18 PHE HE2 H 1 6.854 0.004 . 1 . . . A 19 PHE HE2 . 25469 1 205 . 1 1 18 18 PHE HZ H 1 6.978 0.006 . 1 . . . A 19 PHE HZ . 25469 1 206 . 1 1 18 18 PHE C C 13 171.967 0.005 . 1 . . . A 19 PHE C . 25469 1 207 . 1 1 18 18 PHE CA C 13 57.109 0.008 . 1 . . . A 19 PHE CA . 25469 1 208 . 1 1 18 18 PHE CB C 13 41.023 0.027 . 1 . . . A 19 PHE CB . 25469 1 209 . 1 1 18 18 PHE CD1 C 13 131.851 0.000 . 1 . . . A 19 PHE CD1 . 25469 1 210 . 1 1 18 18 PHE N N 15 126.010 0.011 . 1 . . . A 19 PHE N . 25469 1 211 . 1 1 19 19 ILE H H 1 7.716 0.003 . 1 . . . A 20 ILE H . 25469 1 212 . 1 1 19 19 ILE HA H 1 3.861 0.002 . 1 . . . A 20 ILE HA . 25469 1 213 . 1 1 19 19 ILE HB H 1 1.141 0.008 . 1 . . . A 20 ILE HB . 25469 1 214 . 1 1 19 19 ILE HG12 H 1 0.389 0.008 . 2 . . . A 20 ILE HG12 . 25469 1 215 . 1 1 19 19 ILE HG13 H 1 0.983 0.005 . 2 . . . A 20 ILE HG13 . 25469 1 216 . 1 1 19 19 ILE HG21 H 1 0.597 0.005 . 1 . . . A 20 ILE HG21 . 25469 1 217 . 1 1 19 19 ILE HG22 H 1 0.597 0.005 . 1 . . . A 20 ILE HG22 . 25469 1 218 . 1 1 19 19 ILE HG23 H 1 0.597 0.005 . 1 . . . A 20 ILE HG23 . 25469 1 219 . 1 1 19 19 ILE HD11 H 1 -0.203 0.003 . 1 . . . A 20 ILE HD11 . 25469 1 220 . 1 1 19 19 ILE HD12 H 1 -0.203 0.003 . 1 . . . A 20 ILE HD12 . 25469 1 221 . 1 1 19 19 ILE HD13 H 1 -0.203 0.003 . 1 . . . A 20 ILE HD13 . 25469 1 222 . 1 1 19 19 ILE C C 13 173.050 0.037 . 1 . . . A 20 ILE C . 25469 1 223 . 1 1 19 19 ILE CA C 13 59.348 0.002 . 1 . . . A 20 ILE CA . 25469 1 224 . 1 1 19 19 ILE CB C 13 39.200 0.006 . 1 . . . A 20 ILE CB . 25469 1 225 . 1 1 19 19 ILE CG1 C 13 27.230 0.019 . 1 . . . A 20 ILE CG1 . 25469 1 226 . 1 1 19 19 ILE CG2 C 13 20.126 0.008 . 1 . . . A 20 ILE CG2 . 25469 1 227 . 1 1 19 19 ILE CD1 C 13 15.837 0.006 . 1 . . . A 20 ILE CD1 . 25469 1 228 . 1 1 19 19 ILE N N 15 126.422 0.030 . 1 . . . A 20 ILE N . 25469 1 229 . 1 1 20 20 GLY H H 1 8.550 0.005 . 1 . . . A 21 GLY H . 25469 1 230 . 1 1 20 20 GLY HA2 H 1 3.560 0.003 . 2 . . . A 21 GLY HA2 . 25469 1 231 . 1 1 20 20 GLY HA3 H 1 4.113 0.005 . 2 . . . A 21 GLY HA3 . 25469 1 232 . 1 1 20 20 GLY C C 13 173.769 0.021 . 1 . . . A 21 GLY C . 25469 1 233 . 1 1 20 20 GLY CA C 13 43.860 0.019 . 1 . . . A 21 GLY CA . 25469 1 234 . 1 1 20 20 GLY N N 15 113.182 0.032 . 1 . . . A 21 GLY N . 25469 1 235 . 1 1 21 21 ASN H H 1 7.291 0.005 . 1 . . . A 22 ASN H . 25469 1 236 . 1 1 21 21 ASN HA H 1 4.347 0.005 . 1 . . . A 22 ASN HA . 25469 1 237 . 1 1 21 21 ASN HB2 H 1 1.695 0.005 . 2 . . . A 22 ASN HB2 . 25469 1 238 . 1 1 21 21 ASN HB3 H 1 3.981 0.010 . 2 . . . A 22 ASN HB3 . 25469 1 239 . 1 1 21 21 ASN HD21 H 1 8.448 0.003 . 1 . . . A 22 ASN HD21 . 25469 1 240 . 1 1 21 21 ASN HD22 H 1 6.637 0.017 . 1 . . . A 22 ASN HD22 . 25469 1 241 . 1 1 21 21 ASN C C 13 174.205 0.054 . 1 . . . A 22 ASN C . 25469 1 242 . 1 1 21 21 ASN CA C 13 53.433 0.019 . 1 . . . A 22 ASN CA . 25469 1 243 . 1 1 21 21 ASN CB C 13 38.826 0.043 . 1 . . . A 22 ASN CB . 25469 1 244 . 1 1 21 21 ASN N N 15 116.072 0.019 . 1 . . . A 22 ASN N . 25469 1 245 . 1 1 21 21 ASN ND2 N 15 111.001 0.029 . 1 . . . A 22 ASN ND2 . 25469 1 246 . 1 1 22 22 LEU H H 1 7.279 0.002 . 1 . . . A 23 LEU H . 25469 1 247 . 1 1 22 22 LEU HA H 1 3.928 0.004 . 1 . . . A 23 LEU HA . 25469 1 248 . 1 1 22 22 LEU HB2 H 1 0.704 0.004 . 2 . . . A 23 LEU HB2 . 25469 1 249 . 1 1 22 22 LEU HB3 H 1 1.188 0.008 . 2 . . . A 23 LEU HB3 . 25469 1 250 . 1 1 22 22 LEU HG H 1 0.955 0.007 . 1 . . . A 23 LEU HG . 25469 1 251 . 1 1 22 22 LEU HD11 H 1 0.709 0.004 . 2 . . . A 23 LEU HD11 . 25469 1 252 . 1 1 22 22 LEU HD12 H 1 0.709 0.004 . 2 . . . A 23 LEU HD12 . 25469 1 253 . 1 1 22 22 LEU HD13 H 1 0.709 0.004 . 2 . . . A 23 LEU HD13 . 25469 1 254 . 1 1 22 22 LEU HD21 H 1 0.367 0.002 . 2 . . . A 23 LEU HD21 . 25469 1 255 . 1 1 22 22 LEU HD22 H 1 0.367 0.002 . 2 . . . A 23 LEU HD22 . 25469 1 256 . 1 1 22 22 LEU HD23 H 1 0.367 0.002 . 2 . . . A 23 LEU HD23 . 25469 1 257 . 1 1 22 22 LEU C C 13 176.551 0.009 . 1 . . . A 23 LEU C . 25469 1 258 . 1 1 22 22 LEU CA C 13 52.665 0.014 . 1 . . . A 23 LEU CA . 25469 1 259 . 1 1 22 22 LEU CB C 13 44.349 0.013 . 1 . . . A 23 LEU CB . 25469 1 260 . 1 1 22 22 LEU CG C 13 26.542 0.010 . 1 . . . A 23 LEU CG . 25469 1 261 . 1 1 22 22 LEU CD1 C 13 22.598 0.023 . 2 . . . A 23 LEU CD1 . 25469 1 262 . 1 1 22 22 LEU CD2 C 13 27.571 0.014 . 2 . . . A 23 LEU CD2 . 25469 1 263 . 1 1 22 22 LEU N N 15 118.873 0.008 . 1 . . . A 23 LEU N . 25469 1 264 . 1 1 23 23 ASN H H 1 9.075 0.002 . 1 . . . A 24 ASN H . 25469 1 265 . 1 1 23 23 ASN HA H 1 4.759 0.004 . 1 . . . A 24 ASN HA . 25469 1 266 . 1 1 23 23 ASN HB2 H 1 2.422 0.004 . 2 . . . A 24 ASN HB2 . 25469 1 267 . 1 1 23 23 ASN HB3 H 1 3.152 0.005 . 2 . . . A 24 ASN HB3 . 25469 1 268 . 1 1 23 23 ASN HD21 H 1 8.076 0.003 . 1 . . . A 24 ASN HD21 . 25469 1 269 . 1 1 23 23 ASN HD22 H 1 7.153 0.003 . 1 . . . A 24 ASN HD22 . 25469 1 270 . 1 1 23 23 ASN C C 13 175.831 0.029 . 1 . . . A 24 ASN C . 25469 1 271 . 1 1 23 23 ASN CA C 13 51.640 0.008 . 1 . . . A 24 ASN CA . 25469 1 272 . 1 1 23 23 ASN CB C 13 35.555 0.007 . 1 . . . A 24 ASN CB . 25469 1 273 . 1 1 23 23 ASN N N 15 124.260 0.013 . 1 . . . A 24 ASN N . 25469 1 274 . 1 1 23 23 ASN ND2 N 15 110.101 0.023 . 1 . . . A 24 ASN ND2 . 25469 1 275 . 1 1 24 24 THR H H 1 8.226 0.001 . 1 . . . A 25 THR H . 25469 1 276 . 1 1 24 24 THR HA H 1 4.377 0.008 . 1 . . . A 25 THR HA . 25469 1 277 . 1 1 24 24 THR HB H 1 4.654 0.005 . 1 . . . A 25 THR HB . 25469 1 278 . 1 1 24 24 THR HG21 H 1 1.123 0.006 . 1 . . . A 25 THR HG21 . 25469 1 279 . 1 1 24 24 THR HG22 H 1 1.123 0.006 . 1 . . . A 25 THR HG22 . 25469 1 280 . 1 1 24 24 THR HG23 H 1 1.123 0.006 . 1 . . . A 25 THR HG23 . 25469 1 281 . 1 1 24 24 THR C C 13 175.286 0.007 . 1 . . . A 25 THR C . 25469 1 282 . 1 1 24 24 THR CA C 13 63.324 0.022 . 1 . . . A 25 THR CA . 25469 1 283 . 1 1 24 24 THR CB C 13 67.439 0.016 . 1 . . . A 25 THR CB . 25469 1 284 . 1 1 24 24 THR CG2 C 13 22.611 0.005 . 1 . . . A 25 THR CG2 . 25469 1 285 . 1 1 24 24 THR N N 15 118.101 0.014 . 1 . . . A 25 THR N . 25469 1 286 . 1 1 25 25 LEU H H 1 7.670 0.001 . 1 . . . A 26 LEU H . 25469 1 287 . 1 1 25 25 LEU HA H 1 4.311 0.002 . 1 . . . A 26 LEU HA . 25469 1 288 . 1 1 25 25 LEU HB2 H 1 1.934 0.004 . 2 . . . A 26 LEU HB2 . 25469 1 289 . 1 1 25 25 LEU HB3 H 1 1.624 0.002 . 2 . . . A 26 LEU HB3 . 25469 1 290 . 1 1 25 25 LEU HG H 1 1.662 0.002 . 1 . . . A 26 LEU HG . 25469 1 291 . 1 1 25 25 LEU HD11 H 1 0.950 0.002 . 2 . . . A 26 LEU HD11 . 25469 1 292 . 1 1 25 25 LEU HD12 H 1 0.950 0.002 . 2 . . . A 26 LEU HD12 . 25469 1 293 . 1 1 25 25 LEU HD13 H 1 0.950 0.002 . 2 . . . A 26 LEU HD13 . 25469 1 294 . 1 1 25 25 LEU HD21 H 1 0.891 0.002 . 2 . . . A 26 LEU HD21 . 25469 1 295 . 1 1 25 25 LEU HD22 H 1 0.891 0.002 . 2 . . . A 26 LEU HD22 . 25469 1 296 . 1 1 25 25 LEU HD23 H 1 0.891 0.002 . 2 . . . A 26 LEU HD23 . 25469 1 297 . 1 1 25 25 LEU C C 13 178.244 0.020 . 1 . . . A 26 LEU C . 25469 1 298 . 1 1 25 25 LEU CA C 13 57.314 0.010 . 1 . . . A 26 LEU CA . 25469 1 299 . 1 1 25 25 LEU CB C 13 41.328 0.022 . 1 . . . A 26 LEU CB . 25469 1 300 . 1 1 25 25 LEU CG C 13 27.463 0.010 . 1 . . . A 26 LEU CG . 25469 1 301 . 1 1 25 25 LEU CD1 C 13 24.656 0.008 . 2 . . . A 26 LEU CD1 . 25469 1 302 . 1 1 25 25 LEU CD2 C 13 23.447 0.008 . 2 . . . A 26 LEU CD2 . 25469 1 303 . 1 1 25 25 LEU N N 15 121.285 0.008 . 1 . . . A 26 LEU N . 25469 1 304 . 1 1 26 26 VAL H H 1 6.790 0.001 . 1 . . . A 27 VAL H . 25469 1 305 . 1 1 26 26 VAL HA H 1 4.047 0.003 . 1 . . . A 27 VAL HA . 25469 1 306 . 1 1 26 26 VAL HB H 1 1.719 0.002 . 1 . . . A 27 VAL HB . 25469 1 307 . 1 1 26 26 VAL HG11 H 1 0.866 0.003 . 2 . . . A 27 VAL HG11 . 25469 1 308 . 1 1 26 26 VAL HG12 H 1 0.866 0.003 . 2 . . . A 27 VAL HG12 . 25469 1 309 . 1 1 26 26 VAL HG13 H 1 0.866 0.003 . 2 . . . A 27 VAL HG13 . 25469 1 310 . 1 1 26 26 VAL HG21 H 1 0.865 0.003 . 2 . . . A 27 VAL HG21 . 25469 1 311 . 1 1 26 26 VAL HG22 H 1 0.865 0.003 . 2 . . . A 27 VAL HG22 . 25469 1 312 . 1 1 26 26 VAL HG23 H 1 0.865 0.003 . 2 . . . A 27 VAL HG23 . 25469 1 313 . 1 1 26 26 VAL C C 13 175.200 0.018 . 1 . . . A 27 VAL C . 25469 1 314 . 1 1 26 26 VAL CA C 13 63.031 0.010 . 1 . . . A 27 VAL CA . 25469 1 315 . 1 1 26 26 VAL CB C 13 35.182 0.005 . 1 . . . A 27 VAL CB . 25469 1 316 . 1 1 26 26 VAL CG1 C 13 21.252 0.028 . 2 . . . A 27 VAL CG1 . 25469 1 317 . 1 1 26 26 VAL CG2 C 13 21.248 0.030 . 2 . . . A 27 VAL CG2 . 25469 1 318 . 1 1 26 26 VAL N N 15 114.562 0.002 . 1 . . . A 27 VAL N . 25469 1 319 . 1 1 27 27 VAL H H 1 8.276 0.001 . 1 . . . A 28 VAL H . 25469 1 320 . 1 1 27 27 VAL HA H 1 3.859 0.001 . 1 . . . A 28 VAL HA . 25469 1 321 . 1 1 27 27 VAL HB H 1 1.659 0.004 . 1 . . . A 28 VAL HB . 25469 1 322 . 1 1 27 27 VAL HG11 H 1 0.844 0.005 . 2 . . . A 28 VAL HG11 . 25469 1 323 . 1 1 27 27 VAL HG12 H 1 0.844 0.005 . 2 . . . A 28 VAL HG12 . 25469 1 324 . 1 1 27 27 VAL HG13 H 1 0.844 0.005 . 2 . . . A 28 VAL HG13 . 25469 1 325 . 1 1 27 27 VAL HG21 H 1 0.828 0.003 . 2 . . . A 28 VAL HG21 . 25469 1 326 . 1 1 27 27 VAL HG22 H 1 0.828 0.003 . 2 . . . A 28 VAL HG22 . 25469 1 327 . 1 1 27 27 VAL HG23 H 1 0.828 0.003 . 2 . . . A 28 VAL HG23 . 25469 1 328 . 1 1 27 27 VAL C C 13 174.352 0.010 . 1 . . . A 28 VAL C . 25469 1 329 . 1 1 27 27 VAL CA C 13 63.192 0.011 . 1 . . . A 28 VAL CA . 25469 1 330 . 1 1 27 27 VAL CB C 13 31.941 0.007 . 1 . . . A 28 VAL CB . 25469 1 331 . 1 1 27 27 VAL CG1 C 13 22.939 0.025 . 2 . . . A 28 VAL CG1 . 25469 1 332 . 1 1 27 27 VAL CG2 C 13 21.386 0.013 . 2 . . . A 28 VAL CG2 . 25469 1 333 . 1 1 27 27 VAL N N 15 121.996 0.017 . 1 . . . A 28 VAL N . 25469 1 334 . 1 1 28 28 LYS H H 1 8.925 0.001 . 1 . . . A 29 LYS H . 25469 1 335 . 1 1 28 28 LYS HA H 1 4.602 0.004 . 1 . . . A 29 LYS HA . 25469 1 336 . 1 1 28 28 LYS HB2 H 1 1.782 0.005 . 2 . . . A 29 LYS HB2 . 25469 1 337 . 1 1 28 28 LYS HB3 H 1 2.071 0.003 . 2 . . . A 29 LYS HB3 . 25469 1 338 . 1 1 28 28 LYS HG2 H 1 1.482 0.010 . 1 . . . A 29 LYS HG2 . 25469 1 339 . 1 1 28 28 LYS HG3 H 1 1.482 0.010 . 1 . . . A 29 LYS HG3 . 25469 1 340 . 1 1 28 28 LYS HD2 H 1 1.606 0.001 . 2 . . . A 29 LYS HD2 . 25469 1 341 . 1 1 28 28 LYS HD3 H 1 1.655 0.002 . 2 . . . A 29 LYS HD3 . 25469 1 342 . 1 1 28 28 LYS HE2 H 1 2.934 0.008 . 1 . . . A 29 LYS HE2 . 25469 1 343 . 1 1 28 28 LYS HE3 H 1 2.934 0.008 . 1 . . . A 29 LYS HE3 . 25469 1 344 . 1 1 28 28 LYS C C 13 177.959 0.008 . 1 . . . A 29 LYS C . 25469 1 345 . 1 1 28 28 LYS CA C 13 53.646 0.007 . 1 . . . A 29 LYS CA . 25469 1 346 . 1 1 28 28 LYS CB C 13 34.395 0.013 . 1 . . . A 29 LYS CB . 25469 1 347 . 1 1 28 28 LYS CG C 13 24.644 0.013 . 1 . . . A 29 LYS CG . 25469 1 348 . 1 1 28 28 LYS CD C 13 28.305 0.005 . 1 . . . A 29 LYS CD . 25469 1 349 . 1 1 28 28 LYS CE C 13 41.950 0.037 . 1 . . . A 29 LYS CE . 25469 1 350 . 1 1 28 28 LYS N N 15 124.228 0.007 . 1 . . . A 29 LYS N . 25469 1 351 . 1 1 29 29 LYS H H 1 8.993 0.001 . 1 . . . A 30 LYS H . 25469 1 352 . 1 1 29 29 LYS HA H 1 3.654 0.004 . 1 . . . A 30 LYS HA . 25469 1 353 . 1 1 29 29 LYS HB2 H 1 1.774 0.005 . 2 . . . A 30 LYS HB2 . 25469 1 354 . 1 1 29 29 LYS HB3 H 1 1.849 0.002 . 2 . . . A 30 LYS HB3 . 25469 1 355 . 1 1 29 29 LYS HG2 H 1 1.174 0.003 . 2 . . . A 30 LYS HG2 . 25469 1 356 . 1 1 29 29 LYS HG3 H 1 1.249 0.001 . 2 . . . A 30 LYS HG3 . 25469 1 357 . 1 1 29 29 LYS HD2 H 1 1.721 0.001 . 2 . . . A 30 LYS HD2 . 25469 1 358 . 1 1 29 29 LYS HD3 H 1 1.622 0.002 . 2 . . . A 30 LYS HD3 . 25469 1 359 . 1 1 29 29 LYS HE2 H 1 3.002 0.006 . 2 . . . A 30 LYS HE2 . 25469 1 360 . 1 1 29 29 LYS HE3 H 1 3.093 0.005 . 2 . . . A 30 LYS HE3 . 25469 1 361 . 1 1 29 29 LYS C C 13 177.639 0.000 . 1 . . . A 30 LYS C . 25469 1 362 . 1 1 29 29 LYS CA C 13 61.400 0.013 . 1 . . . A 30 LYS CA . 25469 1 363 . 1 1 29 29 LYS CB C 13 32.649 0.025 . 1 . . . A 30 LYS CB . 25469 1 364 . 1 1 29 29 LYS CG C 13 24.519 0.018 . 1 . . . A 30 LYS CG . 25469 1 365 . 1 1 29 29 LYS CD C 13 30.006 0.017 . 1 . . . A 30 LYS CD . 25469 1 366 . 1 1 29 29 LYS CE C 13 42.431 0.012 . 1 . . . A 30 LYS CE . 25469 1 367 . 1 1 29 29 LYS N N 15 123.350 0.016 . 1 . . . A 30 LYS N . 25469 1 368 . 1 1 30 30 SER H H 1 8.669 0.002 . 1 . . . A 31 SER H . 25469 1 369 . 1 1 30 30 SER HA H 1 4.167 0.004 . 1 . . . A 31 SER HA . 25469 1 370 . 1 1 30 30 SER HB2 H 1 3.830 0.008 . 2 . . . A 31 SER HB2 . 25469 1 371 . 1 1 30 30 SER HB3 H 1 3.890 0.005 . 2 . . . A 31 SER HB3 . 25469 1 372 . 1 1 30 30 SER C C 13 177.617 0.018 . 1 . . . A 31 SER C . 25469 1 373 . 1 1 30 30 SER CA C 13 61.389 0.023 . 1 . . . A 31 SER CA . 25469 1 374 . 1 1 30 30 SER CB C 13 61.533 0.032 . 1 . . . A 31 SER CB . 25469 1 375 . 1 1 30 30 SER N N 15 111.465 0.008 . 1 . . . A 31 SER N . 25469 1 376 . 1 1 31 31 ASP H H 1 7.141 0.001 . 1 . . . A 32 ASP H . 25469 1 377 . 1 1 31 31 ASP HA H 1 4.520 0.002 . 1 . . . A 32 ASP HA . 25469 1 378 . 1 1 31 31 ASP HB2 H 1 2.681 0.003 . 2 . . . A 32 ASP HB2 . 25469 1 379 . 1 1 31 31 ASP HB3 H 1 3.169 0.010 . 2 . . . A 32 ASP HB3 . 25469 1 380 . 1 1 31 31 ASP C C 13 178.194 0.050 . 1 . . . A 32 ASP C . 25469 1 381 . 1 1 31 31 ASP CA C 13 57.188 0.008 . 1 . . . A 32 ASP CA . 25469 1 382 . 1 1 31 31 ASP CB C 13 41.847 0.005 . 1 . . . A 32 ASP CB . 25469 1 383 . 1 1 31 31 ASP N N 15 122.187 0.002 . 1 . . . A 32 ASP N . 25469 1 384 . 1 1 32 32 VAL H H 1 7.956 0.001 . 1 . . . A 33 VAL H . 25469 1 385 . 1 1 32 32 VAL HA H 1 3.461 0.003 . 1 . . . A 33 VAL HA . 25469 1 386 . 1 1 32 32 VAL HB H 1 2.150 0.003 . 1 . . . A 33 VAL HB . 25469 1 387 . 1 1 32 32 VAL HG11 H 1 0.526 0.003 . 2 . . . A 33 VAL HG11 . 25469 1 388 . 1 1 32 32 VAL HG12 H 1 0.526 0.003 . 2 . . . A 33 VAL HG12 . 25469 1 389 . 1 1 32 32 VAL HG13 H 1 0.526 0.003 . 2 . . . A 33 VAL HG13 . 25469 1 390 . 1 1 32 32 VAL HG21 H 1 0.683 0.007 . 2 . . . A 33 VAL HG21 . 25469 1 391 . 1 1 32 32 VAL HG22 H 1 0.683 0.007 . 2 . . . A 33 VAL HG22 . 25469 1 392 . 1 1 32 32 VAL HG23 H 1 0.683 0.007 . 2 . . . A 33 VAL HG23 . 25469 1 393 . 1 1 32 32 VAL C C 13 178.624 0.000 . 1 . . . A 33 VAL C . 25469 1 394 . 1 1 32 32 VAL CA C 13 67.374 0.013 . 1 . . . A 33 VAL CA . 25469 1 395 . 1 1 32 32 VAL CB C 13 31.285 0.001 . 1 . . . A 33 VAL CB . 25469 1 396 . 1 1 32 32 VAL CG1 C 13 23.307 0.016 . 2 . . . A 33 VAL CG1 . 25469 1 397 . 1 1 32 32 VAL CG2 C 13 24.006 0.000 . 2 . . . A 33 VAL CG2 . 25469 1 398 . 1 1 32 32 VAL N N 15 120.138 0.014 . 1 . . . A 33 VAL N . 25469 1 399 . 1 1 33 33 GLU H H 1 8.637 0.001 . 1 . . . A 34 GLU H . 25469 1 400 . 1 1 33 33 GLU HA H 1 3.754 0.004 . 1 . . . A 34 GLU HA . 25469 1 401 . 1 1 33 33 GLU HB2 H 1 2.025 0.005 . 1 . . . A 34 GLU HB2 . 25469 1 402 . 1 1 33 33 GLU HB3 H 1 2.025 0.005 . 1 . . . A 34 GLU HB3 . 25469 1 403 . 1 1 33 33 GLU HG2 H 1 2.573 0.008 . 2 . . . A 34 GLU HG2 . 25469 1 404 . 1 1 33 33 GLU HG3 H 1 1.881 0.004 . 2 . . . A 34 GLU HG3 . 25469 1 405 . 1 1 33 33 GLU C C 13 178.701 0.021 . 1 . . . A 34 GLU C . 25469 1 406 . 1 1 33 33 GLU CA C 13 60.505 0.027 . 1 . . . A 34 GLU CA . 25469 1 407 . 1 1 33 33 GLU CB C 13 29.344 0.016 . 1 . . . A 34 GLU CB . 25469 1 408 . 1 1 33 33 GLU CG C 13 38.370 0.030 . 1 . . . A 34 GLU CG . 25469 1 409 . 1 1 33 33 GLU N N 15 118.717 0.029 . 1 . . . A 34 GLU N . 25469 1 410 . 1 1 34 34 ALA H H 1 7.823 0.001 . 1 . . . A 35 ALA H . 25469 1 411 . 1 1 34 34 ALA HA H 1 4.149 0.004 . 1 . . . A 35 ALA HA . 25469 1 412 . 1 1 34 34 ALA HB1 H 1 1.593 0.002 . 1 . . . A 35 ALA HB1 . 25469 1 413 . 1 1 34 34 ALA HB2 H 1 1.593 0.002 . 1 . . . A 35 ALA HB2 . 25469 1 414 . 1 1 34 34 ALA HB3 H 1 1.593 0.002 . 1 . . . A 35 ALA HB3 . 25469 1 415 . 1 1 34 34 ALA C C 13 180.483 0.028 . 1 . . . A 35 ALA C . 25469 1 416 . 1 1 34 34 ALA CA C 13 55.516 0.022 . 1 . . . A 35 ALA CA . 25469 1 417 . 1 1 34 34 ALA CB C 13 18.048 0.001 . 1 . . . A 35 ALA CB . 25469 1 418 . 1 1 34 34 ALA N N 15 121.541 0.012 . 1 . . . A 35 ALA N . 25469 1 419 . 1 1 35 35 ILE H H 1 7.773 0.002 . 1 . . . A 36 ILE H . 25469 1 420 . 1 1 35 35 ILE HA H 1 3.663 0.002 . 1 . . . A 36 ILE HA . 25469 1 421 . 1 1 35 35 ILE HB H 1 1.713 0.005 . 1 . . . A 36 ILE HB . 25469 1 422 . 1 1 35 35 ILE HG12 H 1 1.867 0.003 . 2 . . . A 36 ILE HG12 . 25469 1 423 . 1 1 35 35 ILE HG13 H 1 0.951 0.002 . 2 . . . A 36 ILE HG13 . 25469 1 424 . 1 1 35 35 ILE HG21 H 1 0.158 0.002 . 1 . . . A 36 ILE HG21 . 25469 1 425 . 1 1 35 35 ILE HG22 H 1 0.158 0.002 . 1 . . . A 36 ILE HG22 . 25469 1 426 . 1 1 35 35 ILE HG23 H 1 0.158 0.002 . 1 . . . A 36 ILE HG23 . 25469 1 427 . 1 1 35 35 ILE HD11 H 1 0.756 0.004 . 1 . . . A 36 ILE HD11 . 25469 1 428 . 1 1 35 35 ILE HD12 H 1 0.756 0.004 . 1 . . . A 36 ILE HD12 . 25469 1 429 . 1 1 35 35 ILE HD13 H 1 0.756 0.004 . 1 . . . A 36 ILE HD13 . 25469 1 430 . 1 1 35 35 ILE C C 13 178.665 0.026 . 1 . . . A 36 ILE C . 25469 1 431 . 1 1 35 35 ILE CA C 13 64.811 0.002 . 1 . . . A 36 ILE CA . 25469 1 432 . 1 1 35 35 ILE CB C 13 39.790 0.003 . 1 . . . A 36 ILE CB . 25469 1 433 . 1 1 35 35 ILE CG1 C 13 28.592 0.025 . 1 . . . A 36 ILE CG1 . 25469 1 434 . 1 1 35 35 ILE CG2 C 13 16.836 0.013 . 1 . . . A 36 ILE CG2 . 25469 1 435 . 1 1 35 35 ILE CD1 C 13 13.355 0.006 . 1 . . . A 36 ILE CD1 . 25469 1 436 . 1 1 35 35 ILE N N 15 117.449 0.005 . 1 . . . A 36 ILE N . 25469 1 437 . 1 1 36 36 PHE H H 1 8.566 0.003 . 1 . . . A 37 PHE H . 25469 1 438 . 1 1 36 36 PHE HA H 1 4.358 0.003 . 1 . . . A 37 PHE HA . 25469 1 439 . 1 1 36 36 PHE HB2 H 1 2.887 0.006 . 2 . . . A 37 PHE HB2 . 25469 1 440 . 1 1 36 36 PHE HB3 H 1 3.775 0.004 . 2 . . . A 37 PHE HB3 . 25469 1 441 . 1 1 36 36 PHE HD1 H 1 7.980 0.005 . 1 . . . A 37 PHE HD1 . 25469 1 442 . 1 1 36 36 PHE HD2 H 1 7.980 0.005 . 1 . . . A 37 PHE HD2 . 25469 1 443 . 1 1 36 36 PHE HE1 H 1 6.917 0.004 . 1 . . . A 37 PHE HE1 . 25469 1 444 . 1 1 36 36 PHE HE2 H 1 6.917 0.004 . 1 . . . A 37 PHE HE2 . 25469 1 445 . 1 1 36 36 PHE HZ H 1 7.043 0.006 . 1 . . . A 37 PHE HZ . 25469 1 446 . 1 1 36 36 PHE C C 13 179.593 0.013 . 1 . . . A 37 PHE C . 25469 1 447 . 1 1 36 36 PHE CA C 13 62.680 0.005 . 1 . . . A 37 PHE CA . 25469 1 448 . 1 1 36 36 PHE CB C 13 37.210 0.020 . 1 . . . A 37 PHE CB . 25469 1 449 . 1 1 36 36 PHE CD1 C 13 132.100 0.000 . 1 . . . A 37 PHE CD1 . 25469 1 450 . 1 1 36 36 PHE CE1 C 13 130.215 0.000 . 1 . . . A 37 PHE CE1 . 25469 1 451 . 1 1 36 36 PHE CZ C 13 128.886 0.000 . 1 . . . A 37 PHE CZ . 25469 1 452 . 1 1 36 36 PHE N N 15 113.524 0.015 . 1 . . . A 37 PHE N . 25469 1 453 . 1 1 37 37 SER H H 1 8.834 0.001 . 1 . . . A 38 SER H . 25469 1 454 . 1 1 37 37 SER HA H 1 4.821 0.004 . 1 . . . A 38 SER HA . 25469 1 455 . 1 1 37 37 SER HB2 H 1 4.115 0.002 . 2 . . . A 38 SER HB2 . 25469 1 456 . 1 1 37 37 SER HB3 H 1 4.252 0.004 . 2 . . . A 38 SER HB3 . 25469 1 457 . 1 1 37 37 SER C C 13 175.439 0.128 . 1 . . . A 38 SER C . 25469 1 458 . 1 1 37 37 SER CA C 13 61.519 0.011 . 1 . . . A 38 SER CA . 25469 1 459 . 1 1 37 37 SER CB C 13 62.765 0.014 . 1 . . . A 38 SER CB . 25469 1 460 . 1 1 37 37 SER N N 15 122.025 0.009 . 1 . . . A 38 SER N . 25469 1 461 . 1 1 38 38 LYS H H 1 7.054 0.005 . 1 . . . A 39 LYS H . 25469 1 462 . 1 1 38 38 LYS HA H 1 3.961 0.001 . 1 . . . A 39 LYS HA . 25469 1 463 . 1 1 38 38 LYS HB2 H 1 1.232 0.002 . 2 . . . A 39 LYS HB2 . 25469 1 464 . 1 1 38 38 LYS HB3 H 1 1.435 0.002 . 2 . . . A 39 LYS HB3 . 25469 1 465 . 1 1 38 38 LYS HG2 H 1 0.786 0.005 . 2 . . . A 39 LYS HG2 . 25469 1 466 . 1 1 38 38 LYS HG3 H 1 0.937 0.003 . 2 . . . A 39 LYS HG3 . 25469 1 467 . 1 1 38 38 LYS HD2 H 1 1.450 0.008 . 1 . . . A 39 LYS HD2 . 25469 1 468 . 1 1 38 38 LYS HD3 H 1 1.450 0.008 . 1 . . . A 39 LYS HD3 . 25469 1 469 . 1 1 38 38 LYS HE2 H 1 2.764 0.002 . 2 . . . A 39 LYS HE2 . 25469 1 470 . 1 1 38 38 LYS HE3 H 1 2.822 0.004 . 2 . . . A 39 LYS HE3 . 25469 1 471 . 1 1 38 38 LYS C C 13 177.064 0.024 . 1 . . . A 39 LYS C . 25469 1 472 . 1 1 38 38 LYS CA C 13 58.279 0.015 . 1 . . . A 39 LYS CA . 25469 1 473 . 1 1 38 38 LYS CB C 13 31.586 0.015 . 1 . . . A 39 LYS CB . 25469 1 474 . 1 1 38 38 LYS CG C 13 23.561 0.013 . 1 . . . A 39 LYS CG . 25469 1 475 . 1 1 38 38 LYS CD C 13 28.898 0.001 . 1 . . . A 39 LYS CD . 25469 1 476 . 1 1 38 38 LYS CE C 13 41.340 0.016 . 1 . . . A 39 LYS CE . 25469 1 477 . 1 1 38 38 LYS N N 15 119.387 0.020 . 1 . . . A 39 LYS N . 25469 1 478 . 1 1 39 39 TYR H H 1 6.956 0.003 . 1 . . . A 40 TYR H . 25469 1 479 . 1 1 39 39 TYR HA H 1 4.277 0.004 . 1 . . . A 40 TYR HA . 25469 1 480 . 1 1 39 39 TYR HB2 H 1 2.656 0.004 . 2 . . . A 40 TYR HB2 . 25469 1 481 . 1 1 39 39 TYR HB3 H 1 3.395 0.007 . 2 . . . A 40 TYR HB3 . 25469 1 482 . 1 1 39 39 TYR HD1 H 1 7.195 0.014 . 1 . . . A 40 TYR HD1 . 25469 1 483 . 1 1 39 39 TYR HD2 H 1 7.195 0.014 . 1 . . . A 40 TYR HD2 . 25469 1 484 . 1 1 39 39 TYR HE1 H 1 6.645 0.007 . 1 . . . A 40 TYR HE1 . 25469 1 485 . 1 1 39 39 TYR HE2 H 1 6.645 0.007 . 1 . . . A 40 TYR HE2 . 25469 1 486 . 1 1 39 39 TYR C C 13 174.842 0.023 . 1 . . . A 40 TYR C . 25469 1 487 . 1 1 39 39 TYR CA C 13 58.850 0.032 . 1 . . . A 40 TYR CA . 25469 1 488 . 1 1 39 39 TYR CB C 13 38.427 0.011 . 1 . . . A 40 TYR CB . 25469 1 489 . 1 1 39 39 TYR CD1 C 13 132.743 0.000 . 1 . . . A 40 TYR CD1 . 25469 1 490 . 1 1 39 39 TYR CE1 C 13 119.713 0.000 . 1 . . . A 40 TYR CE1 . 25469 1 491 . 1 1 39 39 TYR N N 15 114.433 0.010 . 1 . . . A 40 TYR N . 25469 1 492 . 1 1 40 40 GLY H H 1 7.428 0.001 . 1 . . . A 41 GLY H . 25469 1 493 . 1 1 40 40 GLY HA2 H 1 3.888 0.003 . 2 . . . A 41 GLY HA2 . 25469 1 494 . 1 1 40 40 GLY HA3 H 1 4.393 0.006 . 2 . . . A 41 GLY HA3 . 25469 1 495 . 1 1 40 40 GLY C C 13 170.573 0.015 . 1 . . . A 41 GLY C . 25469 1 496 . 1 1 40 40 GLY CA C 13 44.556 0.020 . 1 . . . A 41 GLY CA . 25469 1 497 . 1 1 40 40 GLY N N 15 106.514 0.006 . 1 . . . A 41 GLY N . 25469 1 498 . 1 1 41 41 LYS H H 1 8.034 0.002 . 1 . . . A 42 LYS H . 25469 1 499 . 1 1 41 41 LYS HA H 1 4.197 0.003 . 1 . . . A 42 LYS HA . 25469 1 500 . 1 1 41 41 LYS HB2 H 1 1.797 0.004 . 2 . . . A 42 LYS HB2 . 25469 1 501 . 1 1 41 41 LYS HB3 H 1 1.854 0.004 . 2 . . . A 42 LYS HB3 . 25469 1 502 . 1 1 41 41 LYS HG2 H 1 1.235 0.003 . 2 . . . A 42 LYS HG2 . 25469 1 503 . 1 1 41 41 LYS HG3 H 1 1.425 0.004 . 2 . . . A 42 LYS HG3 . 25469 1 504 . 1 1 41 41 LYS HD2 H 1 1.724 0.002 . 2 . . . A 42 LYS HD2 . 25469 1 505 . 1 1 41 41 LYS HD3 H 1 1.669 0.001 . 2 . . . A 42 LYS HD3 . 25469 1 506 . 1 1 41 41 LYS HE2 H 1 2.948 0.007 . 1 . . . A 42 LYS HE2 . 25469 1 507 . 1 1 41 41 LYS HE3 H 1 2.948 0.007 . 1 . . . A 42 LYS HE3 . 25469 1 508 . 1 1 41 41 LYS C C 13 176.536 0.018 . 1 . . . A 42 LYS C . 25469 1 509 . 1 1 41 41 LYS CA C 13 57.136 0.028 . 1 . . . A 42 LYS CA . 25469 1 510 . 1 1 41 41 LYS CB C 13 32.967 0.029 . 1 . . . A 42 LYS CB . 25469 1 511 . 1 1 41 41 LYS CG C 13 24.827 0.035 . 1 . . . A 42 LYS CG . 25469 1 512 . 1 1 41 41 LYS CD C 13 29.210 0.012 . 1 . . . A 42 LYS CD . 25469 1 513 . 1 1 41 41 LYS CE C 13 41.991 0.000 . 1 . . . A 42 LYS CE . 25469 1 514 . 1 1 41 41 LYS N N 15 117.788 0.009 . 1 . . . A 42 LYS N . 25469 1 515 . 1 1 42 42 ILE H H 1 8.711 0.001 . 1 . . . A 43 ILE H . 25469 1 516 . 1 1 42 42 ILE HA H 1 4.024 0.009 . 1 . . . A 43 ILE HA . 25469 1 517 . 1 1 42 42 ILE HB H 1 1.698 0.004 . 1 . . . A 43 ILE HB . 25469 1 518 . 1 1 42 42 ILE HG12 H 1 0.427 0.003 . 2 . . . A 43 ILE HG12 . 25469 1 519 . 1 1 42 42 ILE HG13 H 1 1.922 0.004 . 2 . . . A 43 ILE HG13 . 25469 1 520 . 1 1 42 42 ILE HG21 H 1 0.603 0.003 . 1 . . . A 43 ILE HG21 . 25469 1 521 . 1 1 42 42 ILE HG22 H 1 0.603 0.003 . 1 . . . A 43 ILE HG22 . 25469 1 522 . 1 1 42 42 ILE HG23 H 1 0.603 0.003 . 1 . . . A 43 ILE HG23 . 25469 1 523 . 1 1 42 42 ILE HD11 H 1 0.802 0.005 . 1 . . . A 43 ILE HD11 . 25469 1 524 . 1 1 42 42 ILE HD12 H 1 0.802 0.005 . 1 . . . A 43 ILE HD12 . 25469 1 525 . 1 1 42 42 ILE HD13 H 1 0.802 0.005 . 1 . . . A 43 ILE HD13 . 25469 1 526 . 1 1 42 42 ILE C C 13 176.993 0.000 . 1 . . . A 43 ILE C . 25469 1 527 . 1 1 42 42 ILE CA C 13 61.380 0.002 . 1 . . . A 43 ILE CA . 25469 1 528 . 1 1 42 42 ILE CB C 13 38.913 0.033 . 1 . . . A 43 ILE CB . 25469 1 529 . 1 1 42 42 ILE CG1 C 13 27.422 0.014 . 1 . . . A 43 ILE CG1 . 25469 1 530 . 1 1 42 42 ILE CG2 C 13 18.278 0.006 . 1 . . . A 43 ILE CG2 . 25469 1 531 . 1 1 42 42 ILE CD1 C 13 14.798 0.009 . 1 . . . A 43 ILE CD1 . 25469 1 532 . 1 1 42 42 ILE N N 15 127.104 0.006 . 1 . . . A 43 ILE N . 25469 1 533 . 1 1 43 43 VAL H H 1 8.711 0.003 . 1 . . . A 44 VAL H . 25469 1 534 . 1 1 43 43 VAL HA H 1 4.364 0.003 . 1 . . . A 44 VAL HA . 25469 1 535 . 1 1 43 43 VAL HB H 1 2.101 0.004 . 1 . . . A 44 VAL HB . 25469 1 536 . 1 1 43 43 VAL HG11 H 1 0.725 0.004 . 2 . . . A 44 VAL HG11 . 25469 1 537 . 1 1 43 43 VAL HG12 H 1 0.725 0.004 . 2 . . . A 44 VAL HG12 . 25469 1 538 . 1 1 43 43 VAL HG13 H 1 0.725 0.004 . 2 . . . A 44 VAL HG13 . 25469 1 539 . 1 1 43 43 VAL HG21 H 1 0.869 0.002 . 2 . . . A 44 VAL HG21 . 25469 1 540 . 1 1 43 43 VAL HG22 H 1 0.869 0.002 . 2 . . . A 44 VAL HG22 . 25469 1 541 . 1 1 43 43 VAL HG23 H 1 0.869 0.002 . 2 . . . A 44 VAL HG23 . 25469 1 542 . 1 1 43 43 VAL C C 13 176.853 0.021 . 1 . . . A 44 VAL C . 25469 1 543 . 1 1 43 43 VAL CA C 13 61.858 0.011 . 1 . . . A 44 VAL CA . 25469 1 544 . 1 1 43 43 VAL CB C 13 32.552 0.003 . 1 . . . A 44 VAL CB . 25469 1 545 . 1 1 43 43 VAL CG1 C 13 20.121 0.013 . 2 . . . A 44 VAL CG1 . 25469 1 546 . 1 1 43 43 VAL CG2 C 13 21.814 0.019 . 2 . . . A 44 VAL CG2 . 25469 1 547 . 1 1 43 43 VAL N N 15 121.993 0.013 . 1 . . . A 44 VAL N . 25469 1 548 . 1 1 44 44 GLY H H 1 7.530 0.002 . 1 . . . A 45 GLY H . 25469 1 549 . 1 1 44 44 GLY HA2 H 1 4.640 0.004 . 2 . . . A 45 GLY HA2 . 25469 1 550 . 1 1 44 44 GLY HA3 H 1 3.730 0.006 . 2 . . . A 45 GLY HA3 . 25469 1 551 . 1 1 44 44 GLY C C 13 171.266 0.040 . 1 . . . A 45 GLY C . 25469 1 552 . 1 1 44 44 GLY CA C 13 45.009 0.002 . 1 . . . A 45 GLY CA . 25469 1 553 . 1 1 44 44 GLY N N 15 109.507 0.033 . 1 . . . A 45 GLY N . 25469 1 554 . 1 1 45 45 CYS H H 1 8.982 0.004 . 1 . . . A 46 CYS H . 25469 1 555 . 1 1 45 45 CYS HA H 1 5.031 0.004 . 1 . . . A 46 CYS HA . 25469 1 556 . 1 1 45 45 CYS HB2 H 1 2.571 0.001 . 2 . . . A 46 CYS HB2 . 25469 1 557 . 1 1 45 45 CYS HB3 H 1 2.924 0.005 . 2 . . . A 46 CYS HB3 . 25469 1 558 . 1 1 45 45 CYS C C 13 172.073 0.061 . 1 . . . A 46 CYS C . 25469 1 559 . 1 1 45 45 CYS CA C 13 57.963 0.006 . 1 . . . A 46 CYS CA . 25469 1 560 . 1 1 45 45 CYS CB C 13 28.342 0.007 . 1 . . . A 46 CYS CB . 25469 1 561 . 1 1 45 45 CYS N N 15 124.546 0.019 . 1 . . . A 46 CYS N . 25469 1 562 . 1 1 46 46 SER H H 1 8.569 0.003 . 1 . . . A 47 SER H . 25469 1 563 . 1 1 46 46 SER HA H 1 4.908 0.009 . 1 . . . A 47 SER HA . 25469 1 564 . 1 1 46 46 SER HB2 H 1 3.637 0.007 . 2 . . . A 47 SER HB2 . 25469 1 565 . 1 1 46 46 SER HB3 H 1 4.319 0.003 . 2 . . . A 47 SER HB3 . 25469 1 566 . 1 1 46 46 SER C C 13 171.849 0.025 . 1 . . . A 47 SER C . 25469 1 567 . 1 1 46 46 SER CA C 13 56.585 0.010 . 1 . . . A 47 SER CA . 25469 1 568 . 1 1 46 46 SER CB C 13 65.733 0.017 . 1 . . . A 47 SER CB . 25469 1 569 . 1 1 46 46 SER N N 15 122.933 0.040 . 1 . . . A 47 SER N . 25469 1 570 . 1 1 47 47 VAL H H 1 8.565 0.002 . 1 . . . A 48 VAL H . 25469 1 571 . 1 1 47 47 VAL HA H 1 4.138 0.005 . 1 . . . A 48 VAL HA . 25469 1 572 . 1 1 47 47 VAL HB H 1 1.850 0.004 . 1 . . . A 48 VAL HB . 25469 1 573 . 1 1 47 47 VAL HG11 H 1 0.973 0.008 . 2 . . . A 48 VAL HG11 . 25469 1 574 . 1 1 47 47 VAL HG12 H 1 0.973 0.008 . 2 . . . A 48 VAL HG12 . 25469 1 575 . 1 1 47 47 VAL HG13 H 1 0.973 0.008 . 2 . . . A 48 VAL HG13 . 25469 1 576 . 1 1 47 47 VAL HG21 H 1 0.681 0.004 . 2 . . . A 48 VAL HG21 . 25469 1 577 . 1 1 47 47 VAL HG22 H 1 0.681 0.004 . 2 . . . A 48 VAL HG22 . 25469 1 578 . 1 1 47 47 VAL HG23 H 1 0.681 0.004 . 1 . . . A 48 VAL HG23 . 25469 1 579 . 1 1 47 47 VAL C C 13 173.991 0.042 . 1 . . . A 48 VAL C . 25469 1 580 . 1 1 47 47 VAL CA C 13 62.310 0.005 . 1 . . . A 48 VAL CA . 25469 1 581 . 1 1 47 47 VAL CB C 13 33.924 0.013 . 1 . . . A 48 VAL CB . 25469 1 582 . 1 1 47 47 VAL CG1 C 13 22.827 0.019 . 2 . . . A 48 VAL CG1 . 25469 1 583 . 1 1 47 47 VAL CG2 C 13 21.656 0.009 . 2 . . . A 48 VAL CG2 . 25469 1 584 . 1 1 47 47 VAL N N 15 121.588 0.020 . 1 . . . A 48 VAL N . 25469 1 585 . 1 1 48 48 HIS H H 1 8.441 0.002 . 1 . . . A 49 HIS H . 25469 1 586 . 1 1 48 48 HIS HA H 1 4.432 0.006 . 1 . . . A 49 HIS HA . 25469 1 587 . 1 1 48 48 HIS HB2 H 1 0.374 0.005 . 1 . . . A 49 HIS HB2 . 25469 1 588 . 1 1 48 48 HIS HB3 H 1 2.503 0.006 . 1 . . . A 49 HIS HB3 . 25469 1 589 . 1 1 48 48 HIS HD2 H 1 6.305 0.007 . 1 . . . A 49 HIS HD2 . 25469 1 590 . 1 1 48 48 HIS HE1 H 1 7.494 0.006 . 1 . . . A 49 HIS HE1 . 25469 1 591 . 1 1 48 48 HIS C C 13 173.950 0.019 . 1 . . . A 49 HIS C . 25469 1 592 . 1 1 48 48 HIS CA C 13 54.651 0.010 . 1 . . . A 49 HIS CA . 25469 1 593 . 1 1 48 48 HIS CB C 13 31.553 0.026 . 1 . . . A 49 HIS CB . 25469 1 594 . 1 1 48 48 HIS CD2 C 13 116.974 0.000 . 1 . . . A 49 HIS CD2 . 25469 1 595 . 1 1 48 48 HIS CE1 C 13 136.992 0.000 . 1 . . . A 49 HIS CE1 . 25469 1 596 . 1 1 48 48 HIS N N 15 130.308 0.011 . 1 . . . A 49 HIS N . 25469 1 597 . 1 1 49 49 LYS H H 1 7.926 0.003 . 1 . . . A 50 LYS H . 25469 1 598 . 1 1 49 49 LYS HA H 1 4.460 0.004 . 1 . . . A 50 LYS HA . 25469 1 599 . 1 1 49 49 LYS HB2 H 1 1.830 0.004 . 2 . . . A 50 LYS HB2 . 25469 1 600 . 1 1 49 49 LYS HB3 H 1 1.934 0.004 . 2 . . . A 50 LYS HB3 . 25469 1 601 . 1 1 49 49 LYS HG2 H 1 1.342 0.002 . 2 . . . A 50 LYS HG2 . 25469 1 602 . 1 1 49 49 LYS HG3 H 1 1.460 0.003 . 2 . . . A 50 LYS HG3 . 25469 1 603 . 1 1 49 49 LYS HD2 H 1 1.750 0.002 . 1 . . . A 50 LYS HD2 . 25469 1 604 . 1 1 49 49 LYS HD3 H 1 1.750 0.002 . 1 . . . A 50 LYS HD3 . 25469 1 605 . 1 1 49 49 LYS HE2 H 1 3.039 0.002 . 1 . . . A 50 LYS HE2 . 25469 1 606 . 1 1 49 49 LYS HE3 H 1 3.039 0.002 . 1 . . . A 50 LYS HE3 . 25469 1 607 . 1 1 49 49 LYS C C 13 175.528 0.017 . 1 . . . A 50 LYS C . 25469 1 608 . 1 1 49 49 LYS CA C 13 56.289 0.008 . 1 . . . A 50 LYS CA . 25469 1 609 . 1 1 49 49 LYS CB C 13 30.478 0.014 . 1 . . . A 50 LYS CB . 25469 1 610 . 1 1 49 49 LYS CG C 13 24.879 0.010 . 1 . . . A 50 LYS CG . 25469 1 611 . 1 1 49 49 LYS CD C 13 29.318 0.017 . 1 . . . A 50 LYS CD . 25469 1 612 . 1 1 49 49 LYS CE C 13 41.914 0.013 . 1 . . . A 50 LYS CE . 25469 1 613 . 1 1 49 49 LYS N N 15 121.937 0.020 . 1 . . . A 50 LYS N . 25469 1 614 . 1 1 50 50 GLY H H 1 8.644 0.005 . 1 . . . A 51 GLY H . 25469 1 615 . 1 1 50 50 GLY HA2 H 1 4.398 0.004 . 2 . . . A 51 GLY HA2 . 25469 1 616 . 1 1 50 50 GLY HA3 H 1 4.601 0.008 . 2 . . . A 51 GLY HA3 . 25469 1 617 . 1 1 50 50 GLY C C 13 174.253 0.025 . 1 . . . A 51 GLY C . 25469 1 618 . 1 1 50 50 GLY CA C 13 45.520 0.026 . 1 . . . A 51 GLY CA . 25469 1 619 . 1 1 50 50 GLY N N 15 114.868 0.033 . 1 . . . A 51 GLY N . 25469 1 620 . 1 1 51 51 PHE H H 1 7.005 0.004 . 1 . . . A 52 PHE H . 25469 1 621 . 1 1 51 51 PHE HA H 1 5.248 0.005 . 1 . . . A 52 PHE HA . 25469 1 622 . 1 1 51 51 PHE HB2 H 1 3.204 0.006 . 2 . . . A 52 PHE HB2 . 25469 1 623 . 1 1 51 51 PHE HB3 H 1 2.699 0.009 . 2 . . . A 52 PHE HB3 . 25469 1 624 . 1 1 51 51 PHE HD1 H 1 6.755 0.004 . 1 . . . A 52 PHE HD1 . 25469 1 625 . 1 1 51 51 PHE HD2 H 1 6.755 0.004 . 1 . . . A 52 PHE HD2 . 25469 1 626 . 1 1 51 51 PHE HE1 H 1 6.282 0.003 . 1 . . . A 52 PHE HE1 . 25469 1 627 . 1 1 51 51 PHE HE2 H 1 6.282 0.003 . 1 . . . A 52 PHE HE2 . 25469 1 628 . 1 1 51 51 PHE HZ H 1 7.178 0.003 . 1 . . . A 52 PHE HZ . 25469 1 629 . 1 1 51 51 PHE C C 13 171.606 0.007 . 1 . . . A 52 PHE C . 25469 1 630 . 1 1 51 51 PHE CA C 13 55.230 0.014 . 1 . . . A 52 PHE CA . 25469 1 631 . 1 1 51 51 PHE CB C 13 41.045 0.019 . 1 . . . A 52 PHE CB . 25469 1 632 . 1 1 51 51 PHE N N 15 112.790 0.011 . 1 . . . A 52 PHE N . 25469 1 633 . 1 1 52 52 ALA H H 1 8.724 0.002 . 1 . . . A 53 ALA H . 25469 1 634 . 1 1 52 52 ALA HA H 1 4.835 0.006 . 1 . . . A 53 ALA HA . 25469 1 635 . 1 1 52 52 ALA HB1 H 1 1.134 0.005 . 1 . . . A 53 ALA HB1 . 25469 1 636 . 1 1 52 52 ALA HB2 H 1 1.134 0.005 . 1 . . . A 53 ALA HB2 . 25469 1 637 . 1 1 52 52 ALA HB3 H 1 1.134 0.005 . 1 . . . A 53 ALA HB3 . 25469 1 638 . 1 1 52 52 ALA C C 13 173.030 0.010 . 1 . . . A 53 ALA C . 25469 1 639 . 1 1 52 52 ALA CA C 13 50.346 0.013 . 1 . . . A 53 ALA CA . 25469 1 640 . 1 1 52 52 ALA CB C 13 24.733 0.029 . 1 . . . A 53 ALA CB . 25469 1 641 . 1 1 52 52 ALA N N 15 119.858 0.012 . 1 . . . A 53 ALA N . 25469 1 642 . 1 1 53 53 PHE H H 1 8.764 0.004 . 1 . . . A 54 PHE H . 25469 1 643 . 1 1 53 53 PHE HA H 1 5.580 0.002 . 1 . . . A 54 PHE HA . 25469 1 644 . 1 1 53 53 PHE HB2 H 1 2.777 0.004 . 2 . . . A 54 PHE HB2 . 25469 1 645 . 1 1 53 53 PHE HB3 H 1 2.846 0.003 . 2 . . . A 54 PHE HB3 . 25469 1 646 . 1 1 53 53 PHE HD1 H 1 7.030 0.025 . 1 . . . A 54 PHE HD1 . 25469 1 647 . 1 1 53 53 PHE HD2 H 1 7.030 0.025 . 1 . . . A 54 PHE HD2 . 25469 1 648 . 1 1 53 53 PHE HE1 H 1 7.250 0.004 . 1 . . . A 54 PHE HE1 . 25469 1 649 . 1 1 53 53 PHE HE2 H 1 7.250 0.004 . 1 . . . A 54 PHE HE2 . 25469 1 650 . 1 1 53 53 PHE HZ H 1 7.015 0.003 . 1 . . . A 54 PHE HZ . 25469 1 651 . 1 1 53 53 PHE C C 13 175.765 0.009 . 1 . . . A 54 PHE C . 25469 1 652 . 1 1 53 53 PHE CA C 13 56.604 0.031 . 1 . . . A 54 PHE CA . 25469 1 653 . 1 1 53 53 PHE CB C 13 44.294 0.010 . 1 . . . A 54 PHE CB . 25469 1 654 . 1 1 53 53 PHE N N 15 112.158 0.016 . 1 . . . A 54 PHE N . 25469 1 655 . 1 1 54 54 VAL H H 1 8.310 0.004 . 1 . . . A 55 VAL H . 25469 1 656 . 1 1 54 54 VAL HA H 1 4.212 0.003 . 1 . . . A 55 VAL HA . 25469 1 657 . 1 1 54 54 VAL HB H 1 1.394 0.003 . 1 . . . A 55 VAL HB . 25469 1 658 . 1 1 54 54 VAL HG11 H 1 0.353 0.005 . 2 . . . A 55 VAL HG11 . 25469 1 659 . 1 1 54 54 VAL HG12 H 1 0.353 0.005 . 2 . . . A 55 VAL HG12 . 25469 1 660 . 1 1 54 54 VAL HG13 H 1 0.353 0.005 . 2 . . . A 55 VAL HG13 . 25469 1 661 . 1 1 54 54 VAL HG21 H 1 0.267 0.004 . 2 . . . A 55 VAL HG21 . 25469 1 662 . 1 1 54 54 VAL HG22 H 1 0.267 0.004 . 2 . . . A 55 VAL HG22 . 25469 1 663 . 1 1 54 54 VAL HG23 H 1 0.267 0.004 . 2 . . . A 55 VAL HG23 . 25469 1 664 . 1 1 54 54 VAL C C 13 172.807 0.029 . 1 . . . A 55 VAL C . 25469 1 665 . 1 1 54 54 VAL CA C 13 61.877 0.011 . 1 . . . A 55 VAL CA . 25469 1 666 . 1 1 54 54 VAL CB C 13 34.953 0.002 . 1 . . . A 55 VAL CB . 25469 1 667 . 1 1 54 54 VAL CG1 C 13 22.481 0.008 . 2 . . . A 55 VAL CG1 . 25469 1 668 . 1 1 54 54 VAL CG2 C 13 22.459 0.007 . 2 . . . A 55 VAL CG2 . 25469 1 669 . 1 1 54 54 VAL N N 15 118.628 0.037 . 1 . . . A 55 VAL N . 25469 1 670 . 1 1 55 55 GLN H H 1 9.253 0.003 . 1 . . . A 56 GLN H . 25469 1 671 . 1 1 55 55 GLN HA H 1 4.565 0.007 . 1 . . . A 56 GLN HA . 25469 1 672 . 1 1 55 55 GLN HB2 H 1 1.634 0.002 . 2 . . . A 56 GLN HB2 . 25469 1 673 . 1 1 55 55 GLN HB3 H 1 2.122 0.003 . 2 . . . A 56 GLN HB3 . 25469 1 674 . 1 1 55 55 GLN HG2 H 1 2.341 0.005 . 2 . . . A 56 GLN HG2 . 25469 1 675 . 1 1 55 55 GLN HG3 H 1 2.128 0.005 . 2 . . . A 56 GLN HG3 . 25469 1 676 . 1 1 55 55 GLN HE21 H 1 7.642 0.002 . 1 . . . A 56 GLN HE21 . 25469 1 677 . 1 1 55 55 GLN HE22 H 1 8.403 0.003 . 1 . . . A 56 GLN HE22 . 25469 1 678 . 1 1 55 55 GLN C C 13 173.894 0.034 . 1 . . . A 56 GLN C . 25469 1 679 . 1 1 55 55 GLN CA C 13 54.213 0.020 . 1 . . . A 56 GLN CA . 25469 1 680 . 1 1 55 55 GLN CB C 13 32.106 0.018 . 1 . . . A 56 GLN CB . 25469 1 681 . 1 1 55 55 GLN CG C 13 34.303 0.009 . 1 . . . A 56 GLN CG . 25469 1 682 . 1 1 55 55 GLN N N 15 128.402 0.025 . 1 . . . A 56 GLN N . 25469 1 683 . 1 1 55 55 GLN NE2 N 15 123.215 0.033 . 1 . . . A 56 GLN NE2 . 25469 1 684 . 1 1 56 56 TYR H H 1 8.919 0.004 . 1 . . . A 57 TYR H . 25469 1 685 . 1 1 56 56 TYR HA H 1 5.281 0.005 . 1 . . . A 57 TYR HA . 25469 1 686 . 1 1 56 56 TYR HB2 H 1 3.346 0.006 . 2 . . . A 57 TYR HB2 . 25469 1 687 . 1 1 56 56 TYR HB3 H 1 3.749 0.005 . 2 . . . A 57 TYR HB3 . 25469 1 688 . 1 1 56 56 TYR HD1 H 1 7.055 0.011 . 1 . . . A 57 TYR HD1 . 25469 1 689 . 1 1 56 56 TYR HD2 H 1 7.055 0.011 . 1 . . . A 57 TYR HD2 . 25469 1 690 . 1 1 56 56 TYR HE1 H 1 6.638 0.006 . 1 . . . A 57 TYR HE1 . 25469 1 691 . 1 1 56 56 TYR HE2 H 1 6.638 0.006 . 1 . . . A 57 TYR HE2 . 25469 1 692 . 1 1 56 56 TYR C C 13 175.610 0.072 . 1 . . . A 57 TYR C . 25469 1 693 . 1 1 56 56 TYR CA C 13 58.691 0.022 . 1 . . . A 57 TYR CA . 25469 1 694 . 1 1 56 56 TYR CB C 13 40.069 0.007 . 1 . . . A 57 TYR CB . 25469 1 695 . 1 1 56 56 TYR CD1 C 13 132.683 0.000 . 1 . . . A 57 TYR CD1 . 25469 1 696 . 1 1 56 56 TYR CE1 C 13 117.545 0.000 . 1 . . . A 57 TYR CE1 . 25469 1 697 . 1 1 56 56 TYR N N 15 127.617 0.035 . 1 . . . A 57 TYR N . 25469 1 698 . 1 1 57 57 VAL H H 1 9.458 0.003 . 1 . . . A 58 VAL H . 25469 1 699 . 1 1 57 57 VAL HA H 1 4.113 0.005 . 1 . . . A 58 VAL HA . 25469 1 700 . 1 1 57 57 VAL HB H 1 2.218 0.002 . 1 . . . A 58 VAL HB . 25469 1 701 . 1 1 57 57 VAL HG11 H 1 1.038 0.002 . 2 . . . A 58 VAL HG11 . 25469 1 702 . 1 1 57 57 VAL HG12 H 1 1.038 0.002 . 2 . . . A 58 VAL HG12 . 25469 1 703 . 1 1 57 57 VAL HG13 H 1 1.038 0.002 . 2 . . . A 58 VAL HG13 . 25469 1 704 . 1 1 57 57 VAL HG21 H 1 1.095 0.002 . 2 . . . A 58 VAL HG21 . 25469 1 705 . 1 1 57 57 VAL HG22 H 1 1.095 0.002 . 2 . . . A 58 VAL HG22 . 25469 1 706 . 1 1 57 57 VAL HG23 H 1 1.095 0.002 . 2 . . . A 58 VAL HG23 . 25469 1 707 . 1 1 57 57 VAL C C 13 175.860 0.003 . 1 . . . A 58 VAL C . 25469 1 708 . 1 1 57 57 VAL CA C 13 64.029 0.026 . 1 . . . A 58 VAL CA . 25469 1 709 . 1 1 57 57 VAL CB C 13 33.049 0.005 . 1 . . . A 58 VAL CB . 25469 1 710 . 1 1 57 57 VAL CG1 C 13 21.878 0.022 . 2 . . . A 58 VAL CG1 . 25469 1 711 . 1 1 57 57 VAL CG2 C 13 22.387 0.016 . 2 . . . A 58 VAL CG2 . 25469 1 712 . 1 1 57 57 VAL N N 15 116.705 0.027 . 1 . . . A 58 VAL N . 25469 1 713 . 1 1 58 58 ASN H H 1 7.230 0.001 . 1 . . . A 59 ASN H . 25469 1 714 . 1 1 58 58 ASN HA H 1 5.150 0.004 . 1 . . . A 59 ASN HA . 25469 1 715 . 1 1 58 58 ASN HB2 H 1 2.934 0.002 . 2 . . . A 59 ASN HB2 . 25469 1 716 . 1 1 58 58 ASN HB3 H 1 3.037 0.002 . 2 . . . A 59 ASN HB3 . 25469 1 717 . 1 1 58 58 ASN HD21 H 1 7.776 0.002 . 1 . . . A 59 ASN HD21 . 25469 1 718 . 1 1 58 58 ASN HD22 H 1 6.918 0.003 . 1 . . . A 59 ASN HD22 . 25469 1 719 . 1 1 58 58 ASN C C 13 174.483 0.005 . 1 . . . A 59 ASN C . 25469 1 720 . 1 1 58 58 ASN CA C 13 51.952 0.011 . 1 . . . A 59 ASN CA . 25469 1 721 . 1 1 58 58 ASN CB C 13 42.177 0.001 . 1 . . . A 59 ASN CB . 25469 1 722 . 1 1 58 58 ASN N N 15 112.563 0.014 . 1 . . . A 59 ASN N . 25469 1 723 . 1 1 58 58 ASN ND2 N 15 114.798 0.010 . 1 . . . A 59 ASN ND2 . 25469 1 724 . 1 1 59 59 GLU H H 1 8.807 0.002 . 1 . . . A 60 GLU H . 25469 1 725 . 1 1 59 59 GLU HA H 1 4.315 0.008 . 1 . . . A 60 GLU HA . 25469 1 726 . 1 1 59 59 GLU HB2 H 1 1.890 0.003 . 2 . . . A 60 GLU HB2 . 25469 1 727 . 1 1 59 59 GLU HB3 H 1 2.098 0.003 . 2 . . . A 60 GLU HB3 . 25469 1 728 . 1 1 59 59 GLU HG2 H 1 2.150 0.002 . 2 . . . A 60 GLU HG2 . 25469 1 729 . 1 1 59 59 GLU HG3 H 1 2.733 0.009 . 2 . . . A 60 GLU HG3 . 25469 1 730 . 1 1 59 59 GLU C C 13 178.202 0.011 . 1 . . . A 60 GLU C . 25469 1 731 . 1 1 59 59 GLU CA C 13 58.781 0.002 . 1 . . . A 60 GLU CA . 25469 1 732 . 1 1 59 59 GLU CB C 13 30.378 0.016 . 1 . . . A 60 GLU CB . 25469 1 733 . 1 1 59 59 GLU CG C 13 35.603 0.017 . 1 . . . A 60 GLU CG . 25469 1 734 . 1 1 59 59 GLU N N 15 124.320 0.015 . 1 . . . A 60 GLU N . 25469 1 735 . 1 1 60 60 ARG H H 1 8.620 0.001 . 1 . . . A 61 ARG H . 25469 1 736 . 1 1 60 60 ARG HA H 1 3.990 0.002 . 1 . . . A 61 ARG HA . 25469 1 737 . 1 1 60 60 ARG HB2 H 1 1.761 0.003 . 2 . . . A 61 ARG HB2 . 25469 1 738 . 1 1 60 60 ARG HB3 H 1 1.885 0.006 . 2 . . . A 61 ARG HB3 . 25469 1 739 . 1 1 60 60 ARG HG2 H 1 1.614 0.003 . 2 . . . A 61 ARG HG2 . 25469 1 740 . 1 1 60 60 ARG HG3 H 1 1.683 0.004 . 2 . . . A 61 ARG HG3 . 25469 1 741 . 1 1 60 60 ARG HD2 H 1 3.204 0.004 . 1 . . . A 61 ARG HD2 . 25469 1 742 . 1 1 60 60 ARG HD3 H 1 3.204 0.004 . 1 . . . A 61 ARG HD3 . 25469 1 743 . 1 1 60 60 ARG HE H 1 7.233 0.000 . 1 . . . A 61 ARG HE . 25469 1 744 . 1 1 60 60 ARG C C 13 179.341 0.017 . 1 . . . A 61 ARG C . 25469 1 745 . 1 1 60 60 ARG CA C 13 59.467 0.024 . 1 . . . A 61 ARG CA . 25469 1 746 . 1 1 60 60 ARG CB C 13 29.401 0.021 . 1 . . . A 61 ARG CB . 25469 1 747 . 1 1 60 60 ARG CG C 13 27.131 0.025 . 1 . . . A 61 ARG CG . 25469 1 748 . 1 1 60 60 ARG CD C 13 43.252 0.001 . 1 . . . A 61 ARG CD . 25469 1 749 . 1 1 60 60 ARG N N 15 118.347 0.013 . 1 . . . A 61 ARG N . 25469 1 750 . 1 1 61 61 ASN H H 1 7.781 0.002 . 1 . . . A 62 ASN H . 25469 1 751 . 1 1 61 61 ASN HA H 1 4.277 0.004 . 1 . . . A 62 ASN HA . 25469 1 752 . 1 1 61 61 ASN HB2 H 1 2.446 0.004 . 2 . . . A 62 ASN HB2 . 25469 1 753 . 1 1 61 61 ASN HB3 H 1 2.300 0.003 . 2 . . . A 62 ASN HB3 . 25469 1 754 . 1 1 61 61 ASN HD21 H 1 8.002 0.001 . 1 . . . A 62 ASN HD21 . 25469 1 755 . 1 1 61 61 ASN HD22 H 1 7.187 0.002 . 1 . . . A 62 ASN HD22 . 25469 1 756 . 1 1 61 61 ASN C C 13 174.852 0.033 . 1 . . . A 62 ASN C . 25469 1 757 . 1 1 61 61 ASN CA C 13 56.465 0.009 . 1 . . . A 62 ASN CA . 25469 1 758 . 1 1 61 61 ASN CB C 13 39.007 0.010 . 1 . . . A 62 ASN CB . 25469 1 759 . 1 1 61 61 ASN N N 15 118.085 0.005 . 1 . . . A 62 ASN N . 25469 1 760 . 1 1 61 61 ASN ND2 N 15 110.148 0.007 . 1 . . . A 62 ASN ND2 . 25469 1 761 . 1 1 62 62 ALA H H 1 6.775 0.001 . 1 . . . A 63 ALA H . 25469 1 762 . 1 1 62 62 ALA HA H 1 3.748 0.005 . 1 . . . A 63 ALA HA . 25469 1 763 . 1 1 62 62 ALA HB1 H 1 1.446 0.007 . 1 . . . A 63 ALA HB1 . 25469 1 764 . 1 1 62 62 ALA HB2 H 1 1.446 0.007 . 1 . . . A 63 ALA HB2 . 25469 1 765 . 1 1 62 62 ALA HB3 H 1 1.446 0.007 . 1 . . . A 63 ALA HB3 . 25469 1 766 . 1 1 62 62 ALA C C 13 178.862 0.036 . 1 . . . A 63 ALA C . 25469 1 767 . 1 1 62 62 ALA CA C 13 54.961 0.007 . 1 . . . A 63 ALA CA . 25469 1 768 . 1 1 62 62 ALA CB C 13 18.541 0.000 . 1 . . . A 63 ALA CB . 25469 1 769 . 1 1 62 62 ALA N N 15 119.580 0.008 . 1 . . . A 63 ALA N . 25469 1 770 . 1 1 63 63 ARG H H 1 8.737 0.001 . 1 . . . A 64 ARG H . 25469 1 771 . 1 1 63 63 ARG HA H 1 3.840 0.004 . 1 . . . A 64 ARG HA . 25469 1 772 . 1 1 63 63 ARG HB2 H 1 1.840 0.005 . 2 . . . A 64 ARG HB2 . 25469 1 773 . 1 1 63 63 ARG HB3 H 1 1.748 0.001 . 2 . . . A 64 ARG HB3 . 25469 1 774 . 1 1 63 63 ARG HG2 H 1 1.975 0.004 . 2 . . . A 64 ARG HG2 . 25469 1 775 . 1 1 63 63 ARG HG3 H 1 1.775 0.005 . 2 . . . A 64 ARG HG3 . 25469 1 776 . 1 1 63 63 ARG HD2 H 1 3.112 0.004 . 2 . . . A 64 ARG HD2 . 25469 1 777 . 1 1 63 63 ARG HD3 H 1 3.213 0.001 . 2 . . . A 64 ARG HD3 . 25469 1 778 . 1 1 63 63 ARG HE H 1 8.397 0.003 . 1 . . . A 64 ARG HE . 25469 1 779 . 1 1 63 63 ARG C C 13 179.776 0.011 . 1 . . . A 64 ARG C . 25469 1 780 . 1 1 63 63 ARG CA C 13 60.182 0.006 . 1 . . . A 64 ARG CA . 25469 1 781 . 1 1 63 63 ARG CB C 13 29.247 0.010 . 1 . . . A 64 ARG CB . 25469 1 782 . 1 1 63 63 ARG CG C 13 29.932 0.004 . 1 . . . A 64 ARG CG . 25469 1 783 . 1 1 63 63 ARG CD C 13 42.823 0.020 . 1 . . . A 64 ARG CD . 25469 1 784 . 1 1 63 63 ARG N N 15 114.991 0.010 . 1 . . . A 64 ARG N . 25469 1 785 . 1 1 63 63 ARG NE N 15 85.371 0.009 . 1 . . . A 64 ARG NE . 25469 1 786 . 1 1 64 64 ALA H H 1 7.820 0.002 . 1 . . . A 65 ALA H . 25469 1 787 . 1 1 64 64 ALA HA H 1 4.127 0.002 . 1 . . . A 65 ALA HA . 25469 1 788 . 1 1 64 64 ALA HB1 H 1 1.664 0.002 . 1 . . . A 65 ALA HB1 . 25469 1 789 . 1 1 64 64 ALA HB2 H 1 1.664 0.002 . 1 . . . A 65 ALA HB2 . 25469 1 790 . 1 1 64 64 ALA HB3 H 1 1.664 0.002 . 1 . . . A 65 ALA HB3 . 25469 1 791 . 1 1 64 64 ALA C C 13 179.561 0.040 . 1 . . . A 65 ALA C . 25469 1 792 . 1 1 64 64 ALA CA C 13 54.948 0.014 . 1 . . . A 65 ALA CA . 25469 1 793 . 1 1 64 64 ALA CB C 13 17.891 0.006 . 1 . . . A 65 ALA CB . 25469 1 794 . 1 1 64 64 ALA N N 15 123.698 0.013 . 1 . . . A 65 ALA N . 25469 1 795 . 1 1 65 65 ALA H H 1 7.538 0.003 . 1 . . . A 66 ALA H . 25469 1 796 . 1 1 65 65 ALA HA H 1 2.067 0.004 . 1 . . . A 66 ALA HA . 25469 1 797 . 1 1 65 65 ALA HB1 H 1 1.517 0.006 . 1 . . . A 66 ALA HB1 . 25469 1 798 . 1 1 65 65 ALA HB2 H 1 1.517 0.006 . 1 . . . A 66 ALA HB2 . 25469 1 799 . 1 1 65 65 ALA HB3 H 1 1.517 0.006 . 1 . . . A 66 ALA HB3 . 25469 1 800 . 1 1 65 65 ALA C C 13 179.260 0.020 . 1 . . . A 66 ALA C . 25469 1 801 . 1 1 65 65 ALA CA C 13 54.309 0.037 . 1 . . . A 66 ALA CA . 25469 1 802 . 1 1 65 65 ALA CB C 13 19.308 0.025 . 1 . . . A 66 ALA CB . 25469 1 803 . 1 1 65 65 ALA N N 15 123.811 0.007 . 1 . . . A 66 ALA N . 25469 1 804 . 1 1 66 66 VAL H H 1 7.612 0.002 . 1 . . . A 67 VAL H . 25469 1 805 . 1 1 66 66 VAL HA H 1 3.355 0.007 . 1 . . . A 67 VAL HA . 25469 1 806 . 1 1 66 66 VAL HB H 1 2.133 0.004 . 1 . . . A 67 VAL HB . 25469 1 807 . 1 1 66 66 VAL HG11 H 1 1.015 0.007 . 2 . . . A 67 VAL HG11 . 25469 1 808 . 1 1 66 66 VAL HG12 H 1 1.015 0.007 . 2 . . . A 67 VAL HG12 . 25469 1 809 . 1 1 66 66 VAL HG13 H 1 1.015 0.007 . 2 . . . A 67 VAL HG13 . 25469 1 810 . 1 1 66 66 VAL HG21 H 1 1.057 0.002 . 2 . . . A 67 VAL HG21 . 25469 1 811 . 1 1 66 66 VAL HG22 H 1 1.057 0.002 . 2 . . . A 67 VAL HG22 . 25469 1 812 . 1 1 66 66 VAL HG23 H 1 1.057 0.002 . 2 . . . A 67 VAL HG23 . 25469 1 813 . 1 1 66 66 VAL C C 13 177.744 0.029 . 1 . . . A 67 VAL C . 25469 1 814 . 1 1 66 66 VAL CA C 13 66.530 0.005 . 1 . . . A 67 VAL CA . 25469 1 815 . 1 1 66 66 VAL CB C 13 31.967 0.002 . 1 . . . A 67 VAL CB . 25469 1 816 . 1 1 66 66 VAL CG1 C 13 22.074 0.011 . 2 . . . A 67 VAL CG1 . 25469 1 817 . 1 1 66 66 VAL CG2 C 13 23.248 0.011 . 2 . . . A 67 VAL CG2 . 25469 1 818 . 1 1 66 66 VAL N N 15 116.571 0.008 . 1 . . . A 67 VAL N . 25469 1 819 . 1 1 67 67 ALA H H 1 7.549 0.001 . 1 . . . A 68 ALA H . 25469 1 820 . 1 1 67 67 ALA HA H 1 4.121 0.002 . 1 . . . A 68 ALA HA . 25469 1 821 . 1 1 67 67 ALA HB1 H 1 1.433 0.001 . 1 . . . A 68 ALA HB1 . 25469 1 822 . 1 1 67 67 ALA HB2 H 1 1.433 0.001 . 1 . . . A 68 ALA HB2 . 25469 1 823 . 1 1 67 67 ALA HB3 H 1 1.433 0.001 . 1 . . . A 68 ALA HB3 . 25469 1 824 . 1 1 67 67 ALA C C 13 180.749 0.019 . 1 . . . A 68 ALA C . 25469 1 825 . 1 1 67 67 ALA CA C 13 54.352 0.007 . 1 . . . A 68 ALA CA . 25469 1 826 . 1 1 67 67 ALA CB C 13 18.097 0.024 . 1 . . . A 68 ALA CB . 25469 1 827 . 1 1 67 67 ALA N N 15 118.239 0.004 . 1 . . . A 68 ALA N . 25469 1 828 . 1 1 68 68 GLY H H 1 8.135 0.001 . 1 . . . A 69 GLY H . 25469 1 829 . 1 1 68 68 GLY HA2 H 1 3.995 0.005 . 1 . . . A 69 GLY HA2 . 25469 1 830 . 1 1 68 68 GLY HA3 H 1 3.995 0.005 . 1 . . . A 69 GLY HA3 . 25469 1 831 . 1 1 68 68 GLY C C 13 175.627 0.014 . 1 . . . A 69 GLY C . 25469 1 832 . 1 1 68 68 GLY CA C 13 46.086 0.003 . 1 . . . A 69 GLY CA . 25469 1 833 . 1 1 68 68 GLY N N 15 103.748 0.007 . 1 . . . A 69 GLY N . 25469 1 834 . 1 1 69 69 GLU H H 1 7.653 0.001 . 1 . . . A 70 GLU H . 25469 1 835 . 1 1 69 69 GLU HA H 1 4.632 0.003 . 1 . . . A 70 GLU HA . 25469 1 836 . 1 1 69 69 GLU HB2 H 1 2.216 0.003 . 2 . . . A 70 GLU HB2 . 25469 1 837 . 1 1 69 69 GLU HB3 H 1 1.582 0.006 . 2 . . . A 70 GLU HB3 . 25469 1 838 . 1 1 69 69 GLU HG2 H 1 2.040 0.002 . 2 . . . A 70 GLU HG2 . 25469 1 839 . 1 1 69 69 GLU HG3 H 1 1.549 0.003 . 2 . . . A 70 GLU HG3 . 25469 1 840 . 1 1 69 69 GLU C C 13 176.392 0.017 . 1 . . . A 70 GLU C . 25469 1 841 . 1 1 69 69 GLU CA C 13 55.198 0.009 . 1 . . . A 70 GLU CA . 25469 1 842 . 1 1 69 69 GLU CB C 13 31.372 0.012 . 1 . . . A 70 GLU CB . 25469 1 843 . 1 1 69 69 GLU CG C 13 34.764 0.012 . 1 . . . A 70 GLU CG . 25469 1 844 . 1 1 69 69 GLU N N 15 114.571 0.005 . 1 . . . A 70 GLU N . 25469 1 845 . 1 1 70 70 ASP H H 1 8.026 0.002 . 1 . . . A 71 ASP H . 25469 1 846 . 1 1 70 70 ASP HA H 1 4.285 0.003 . 1 . . . A 71 ASP HA . 25469 1 847 . 1 1 70 70 ASP HB2 H 1 2.628 0.003 . 2 . . . A 71 ASP HB2 . 25469 1 848 . 1 1 70 70 ASP HB3 H 1 3.069 0.004 . 2 . . . A 71 ASP HB3 . 25469 1 849 . 1 1 70 70 ASP C C 13 178.699 0.016 . 1 . . . A 71 ASP C . 25469 1 850 . 1 1 70 70 ASP CA C 13 57.542 0.002 . 1 . . . A 71 ASP CA . 25469 1 851 . 1 1 70 70 ASP CB C 13 41.370 0.019 . 1 . . . A 71 ASP CB . 25469 1 852 . 1 1 70 70 ASP N N 15 118.127 0.012 . 1 . . . A 71 ASP N . 25469 1 853 . 1 1 71 71 GLY H H 1 8.292 0.001 . 1 . . . A 72 GLY H . 25469 1 854 . 1 1 71 71 GLY HA2 H 1 3.678 0.010 . 2 . . . A 72 GLY HA2 . 25469 1 855 . 1 1 71 71 GLY HA3 H 1 4.176 0.008 . 2 . . . A 72 GLY HA3 . 25469 1 856 . 1 1 71 71 GLY C C 13 173.792 0.007 . 1 . . . A 72 GLY C . 25469 1 857 . 1 1 71 71 GLY CA C 13 45.759 0.007 . 1 . . . A 72 GLY CA . 25469 1 858 . 1 1 71 71 GLY N N 15 114.353 0.016 . 1 . . . A 72 GLY N . 25469 1 859 . 1 1 72 72 ARG H H 1 7.981 0.001 . 1 . . . A 73 ARG H . 25469 1 860 . 1 1 72 72 ARG HA H 1 4.186 0.005 . 1 . . . A 73 ARG HA . 25469 1 861 . 1 1 72 72 ARG HB2 H 1 2.043 0.003 . 2 . . . A 73 ARG HB2 . 25469 1 862 . 1 1 72 72 ARG HB3 H 1 1.841 0.003 . 2 . . . A 73 ARG HB3 . 25469 1 863 . 1 1 72 72 ARG HG2 H 1 1.684 0.001 . 2 . . . A 73 ARG HG2 . 25469 1 864 . 1 1 72 72 ARG HG3 H 1 1.484 0.004 . 2 . . . A 73 ARG HG3 . 25469 1 865 . 1 1 72 72 ARG HD2 H 1 3.141 0.004 . 2 . . . A 73 ARG HD2 . 25469 1 866 . 1 1 72 72 ARG HD3 H 1 3.333 0.005 . 2 . . . A 73 ARG HD3 . 25469 1 867 . 1 1 72 72 ARG HE H 1 7.321 0.002 . 1 . . . A 73 ARG HE . 25469 1 868 . 1 1 72 72 ARG C C 13 175.188 0.021 . 1 . . . A 73 ARG C . 25469 1 869 . 1 1 72 72 ARG CA C 13 56.476 0.017 . 1 . . . A 73 ARG CA . 25469 1 870 . 1 1 72 72 ARG CB C 13 31.319 0.016 . 1 . . . A 73 ARG CB . 25469 1 871 . 1 1 72 72 ARG CG C 13 27.546 0.012 . 1 . . . A 73 ARG CG . 25469 1 872 . 1 1 72 72 ARG CD C 13 43.878 0.020 . 1 . . . A 73 ARG CD . 25469 1 873 . 1 1 72 72 ARG N N 15 121.996 0.006 . 1 . . . A 73 ARG N . 25469 1 874 . 1 1 72 72 ARG NE N 15 85.114 0.020 . 1 . . . A 73 ARG NE . 25469 1 875 . 1 1 73 73 MET H H 1 8.710 0.001 . 1 . . . A 74 MET H . 25469 1 876 . 1 1 73 73 MET HA H 1 4.795 0.007 . 1 . . . A 74 MET HA . 25469 1 877 . 1 1 73 73 MET HB2 H 1 1.907 0.002 . 2 . . . A 74 MET HB2 . 25469 1 878 . 1 1 73 73 MET HB3 H 1 2.053 0.000 . 2 . . . A 74 MET HB3 . 25469 1 879 . 1 1 73 73 MET HG2 H 1 2.306 0.004 . 2 . . . A 74 MET HG2 . 25469 1 880 . 1 1 73 73 MET HG3 H 1 2.093 0.007 . 2 . . . A 74 MET HG3 . 25469 1 881 . 1 1 73 73 MET HE1 H 1 1.969 0.002 . 1 . . . A 74 MET HE1 . 25469 1 882 . 1 1 73 73 MET HE2 H 1 1.969 0.002 . 1 . . . A 74 MET HE2 . 25469 1 883 . 1 1 73 73 MET HE3 H 1 1.969 0.002 . 1 . . . A 74 MET HE3 . 25469 1 884 . 1 1 73 73 MET C C 13 175.727 0.016 . 1 . . . A 74 MET C . 25469 1 885 . 1 1 73 73 MET CA C 13 55.054 0.020 . 1 . . . A 74 MET CA . 25469 1 886 . 1 1 73 73 MET CB C 13 33.076 0.006 . 1 . . . A 74 MET CB . 25469 1 887 . 1 1 73 73 MET CG C 13 32.113 0.025 . 1 . . . A 74 MET CG . 25469 1 888 . 1 1 73 73 MET CE C 13 17.216 0.007 . 1 . . . A 74 MET CE . 25469 1 889 . 1 1 73 73 MET N N 15 125.120 0.013 . 1 . . . A 74 MET N . 25469 1 890 . 1 1 74 74 ILE H H 1 8.583 0.002 . 1 . . . A 75 ILE H . 25469 1 891 . 1 1 74 74 ILE HA H 1 4.387 0.002 . 1 . . . A 75 ILE HA . 25469 1 892 . 1 1 74 74 ILE HB H 1 1.808 0.004 . 1 . . . A 75 ILE HB . 25469 1 893 . 1 1 74 74 ILE HG12 H 1 1.141 0.005 . 2 . . . A 75 ILE HG12 . 25469 1 894 . 1 1 74 74 ILE HG13 H 1 1.461 0.003 . 2 . . . A 75 ILE HG13 . 25469 1 895 . 1 1 74 74 ILE HG21 H 1 0.858 0.000 . 1 . . . A 75 ILE HG21 . 25469 1 896 . 1 1 74 74 ILE HG22 H 1 0.858 0.000 . 1 . . . A 75 ILE HG22 . 25469 1 897 . 1 1 74 74 ILE HG23 H 1 0.858 0.000 . 1 . . . A 75 ILE HG23 . 25469 1 898 . 1 1 74 74 ILE HD11 H 1 0.822 0.008 . 1 . . . A 75 ILE HD11 . 25469 1 899 . 1 1 74 74 ILE HD12 H 1 0.822 0.008 . 1 . . . A 75 ILE HD12 . 25469 1 900 . 1 1 74 74 ILE HD13 H 1 0.822 0.008 . 1 . . . A 75 ILE HD13 . 25469 1 901 . 1 1 74 74 ILE C C 13 175.277 0.005 . 1 . . . A 75 ILE C . 25469 1 902 . 1 1 74 74 ILE CA C 13 59.731 0.027 . 1 . . . A 75 ILE CA . 25469 1 903 . 1 1 74 74 ILE CB C 13 40.407 0.008 . 1 . . . A 75 ILE CB . 25469 1 904 . 1 1 74 74 ILE CG1 C 13 27.361 0.004 . 1 . . . A 75 ILE CG1 . 25469 1 905 . 1 1 74 74 ILE CG2 C 13 16.851 0.008 . 1 . . . A 75 ILE CG2 . 25469 1 906 . 1 1 74 74 ILE CD1 C 13 12.323 0.001 . 1 . . . A 75 ILE CD1 . 25469 1 907 . 1 1 74 74 ILE N N 15 127.530 0.007 . 1 . . . A 75 ILE N . 25469 1 908 . 1 1 75 75 ALA H H 1 9.540 0.001 . 1 . . . A 76 ALA H . 25469 1 909 . 1 1 75 75 ALA HA H 1 4.032 0.003 . 1 . . . A 76 ALA HA . 25469 1 910 . 1 1 75 75 ALA HB1 H 1 1.400 0.005 . 1 . . . A 76 ALA HB1 . 25469 1 911 . 1 1 75 75 ALA HB2 H 1 1.400 0.005 . 1 . . . A 76 ALA HB2 . 25469 1 912 . 1 1 75 75 ALA HB3 H 1 1.400 0.005 . 1 . . . A 76 ALA HB3 . 25469 1 913 . 1 1 75 75 ALA C C 13 177.206 0.011 . 1 . . . A 76 ALA C . 25469 1 914 . 1 1 75 75 ALA CA C 13 52.872 0.026 . 1 . . . A 76 ALA CA . 25469 1 915 . 1 1 75 75 ALA CB C 13 17.248 0.003 . 1 . . . A 76 ALA CB . 25469 1 916 . 1 1 75 75 ALA N N 15 132.166 0.010 . 1 . . . A 76 ALA N . 25469 1 917 . 1 1 76 76 GLY H H 1 8.446 0.001 . 1 . . . A 77 GLY H . 25469 1 918 . 1 1 76 76 GLY HA2 H 1 4.174 0.005 . 2 . . . A 77 GLY HA2 . 25469 1 919 . 1 1 76 76 GLY HA3 H 1 3.704 0.006 . 2 . . . A 77 GLY HA3 . 25469 1 920 . 1 1 76 76 GLY C C 13 174.206 0.011 . 1 . . . A 77 GLY C . 25469 1 921 . 1 1 76 76 GLY CA C 13 45.767 0.023 . 1 . . . A 77 GLY CA . 25469 1 922 . 1 1 76 76 GLY N N 15 101.685 0.004 . 1 . . . A 77 GLY N . 25469 1 923 . 1 1 77 77 GLN H H 1 7.708 0.002 . 1 . . . A 78 GLN H . 25469 1 924 . 1 1 77 77 GLN HA H 1 4.731 0.003 . 1 . . . A 78 GLN HA . 25469 1 925 . 1 1 77 77 GLN HB2 H 1 2.000 0.008 . 2 . . . A 78 GLN HB2 . 25469 1 926 . 1 1 77 77 GLN HB3 H 1 2.206 0.005 . 2 . . . A 78 GLN HB3 . 25469 1 927 . 1 1 77 77 GLN HG2 H 1 2.221 0.007 . 2 . . . A 78 GLN HG2 . 25469 1 928 . 1 1 77 77 GLN HG3 H 1 2.421 0.003 . 2 . . . A 78 GLN HG3 . 25469 1 929 . 1 1 77 77 GLN HE21 H 1 7.025 0.001 . 1 . . . A 78 GLN HE21 . 25469 1 930 . 1 1 77 77 GLN HE22 H 1 6.482 0.011 . 1 . . . A 78 GLN HE22 . 25469 1 931 . 1 1 77 77 GLN C C 13 174.047 0.008 . 1 . . . A 78 GLN C . 25469 1 932 . 1 1 77 77 GLN CA C 13 54.261 0.027 . 1 . . . A 78 GLN CA . 25469 1 933 . 1 1 77 77 GLN CB C 13 32.104 0.012 . 1 . . . A 78 GLN CB . 25469 1 934 . 1 1 77 77 GLN CG C 13 34.970 0.031 . 1 . . . A 78 GLN CG . 25469 1 935 . 1 1 77 77 GLN N N 15 118.947 0.027 . 1 . . . A 78 GLN N . 25469 1 936 . 1 1 77 77 GLN NE2 N 15 109.941 0.026 . 1 . . . A 78 GLN NE2 . 25469 1 937 . 1 1 78 78 VAL H H 1 8.570 0.003 . 1 . . . A 79 VAL H . 25469 1 938 . 1 1 78 78 VAL HA H 1 4.014 0.007 . 1 . . . A 79 VAL HA . 25469 1 939 . 1 1 78 78 VAL HB H 1 1.871 0.005 . 1 . . . A 79 VAL HB . 25469 1 940 . 1 1 78 78 VAL HG11 H 1 0.947 0.003 . 2 . . . A 79 VAL HG11 . 25469 1 941 . 1 1 78 78 VAL HG12 H 1 0.947 0.003 . 2 . . . A 79 VAL HG12 . 25469 1 942 . 1 1 78 78 VAL HG13 H 1 0.947 0.003 . 2 . . . A 79 VAL HG13 . 25469 1 943 . 1 1 78 78 VAL HG21 H 1 0.847 0.002 . 2 . . . A 79 VAL HG21 . 25469 1 944 . 1 1 78 78 VAL HG22 H 1 0.847 0.002 . 2 . . . A 79 VAL HG22 . 25469 1 945 . 1 1 78 78 VAL HG23 H 1 0.847 0.002 . 2 . . . A 79 VAL HG23 . 25469 1 946 . 1 1 78 78 VAL C C 13 176.348 0.005 . 1 . . . A 79 VAL C . 25469 1 947 . 1 1 78 78 VAL CA C 13 62.668 0.013 . 1 . . . A 79 VAL CA . 25469 1 948 . 1 1 78 78 VAL CB C 13 32.129 0.006 . 1 . . . A 79 VAL CB . 25469 1 949 . 1 1 78 78 VAL CG1 C 13 22.284 0.020 . 2 . . . A 79 VAL CG1 . 25469 1 950 . 1 1 78 78 VAL CG2 C 13 21.381 0.007 . 2 . . . A 79 VAL CG2 . 25469 1 951 . 1 1 78 78 VAL N N 15 123.383 0.015 . 1 . . . A 79 VAL N . 25469 1 952 . 1 1 79 79 LEU H H 1 9.002 0.003 . 1 . . . A 80 LEU H . 25469 1 953 . 1 1 79 79 LEU HA H 1 4.308 0.005 . 1 . . . A 80 LEU HA . 25469 1 954 . 1 1 79 79 LEU HB2 H 1 2.165 0.007 . 2 . . . A 80 LEU HB2 . 25469 1 955 . 1 1 79 79 LEU HB3 H 1 1.254 0.005 . 2 . . . A 80 LEU HB3 . 25469 1 956 . 1 1 79 79 LEU HG H 1 2.141 0.007 . 1 . . . A 80 LEU HG . 25469 1 957 . 1 1 79 79 LEU HD11 H 1 0.989 0.003 . 2 . . . A 80 LEU HD11 . 25469 1 958 . 1 1 79 79 LEU HD12 H 1 0.989 0.003 . 2 . . . A 80 LEU HD12 . 25469 1 959 . 1 1 79 79 LEU HD13 H 1 0.989 0.003 . 2 . . . A 80 LEU HD13 . 25469 1 960 . 1 1 79 79 LEU HD21 H 1 0.717 0.003 . 2 . . . A 80 LEU HD21 . 25469 1 961 . 1 1 79 79 LEU HD22 H 1 0.717 0.003 . 2 . . . A 80 LEU HD22 . 25469 1 962 . 1 1 79 79 LEU HD23 H 1 0.717 0.003 . 2 . . . A 80 LEU HD23 . 25469 1 963 . 1 1 79 79 LEU C C 13 176.522 0.016 . 1 . . . A 80 LEU C . 25469 1 964 . 1 1 79 79 LEU CA C 13 55.901 0.018 . 1 . . . A 80 LEU CA . 25469 1 965 . 1 1 79 79 LEU CB C 13 42.899 0.008 . 1 . . . A 80 LEU CB . 25469 1 966 . 1 1 79 79 LEU CG C 13 26.625 0.021 . 1 . . . A 80 LEU CG . 25469 1 967 . 1 1 79 79 LEU CD1 C 13 25.759 0.008 . 2 . . . A 80 LEU CD1 . 25469 1 968 . 1 1 79 79 LEU CD2 C 13 23.513 0.020 . 2 . . . A 80 LEU CD2 . 25469 1 969 . 1 1 79 79 LEU N N 15 128.544 0.005 . 1 . . . A 80 LEU N . 25469 1 970 . 1 1 80 80 ASP H H 1 7.718 0.002 . 1 . . . A 81 ASP H . 25469 1 971 . 1 1 80 80 ASP HA H 1 5.221 0.006 . 1 . . . A 81 ASP HA . 25469 1 972 . 1 1 80 80 ASP HB2 H 1 2.537 0.006 . 2 . . . A 81 ASP HB2 . 25469 1 973 . 1 1 80 80 ASP HB3 H 1 2.869 0.008 . 2 . . . A 81 ASP HB3 . 25469 1 974 . 1 1 80 80 ASP C C 13 174.660 0.012 . 1 . . . A 81 ASP C . 25469 1 975 . 1 1 80 80 ASP CA C 13 52.987 0.027 . 1 . . . A 81 ASP CA . 25469 1 976 . 1 1 80 80 ASP CB C 13 42.767 0.018 . 1 . . . A 81 ASP CB . 25469 1 977 . 1 1 80 80 ASP N N 15 124.135 0.019 . 1 . . . A 81 ASP N . 25469 1 978 . 1 1 81 81 ILE H H 1 9.071 0.002 . 1 . . . A 82 ILE H . 25469 1 979 . 1 1 81 81 ILE HA H 1 5.397 0.005 . 1 . . . A 82 ILE HA . 25469 1 980 . 1 1 81 81 ILE HB H 1 1.674 0.003 . 1 . . . A 82 ILE HB . 25469 1 981 . 1 1 81 81 ILE HG12 H 1 1.666 0.001 . 2 . . . A 82 ILE HG12 . 25469 1 982 . 1 1 81 81 ILE HG13 H 1 1.077 0.001 . 2 . . . A 82 ILE HG13 . 25469 1 983 . 1 1 81 81 ILE HG21 H 1 0.941 0.004 . 1 . . . A 82 ILE HG21 . 25469 1 984 . 1 1 81 81 ILE HG22 H 1 0.941 0.004 . 1 . . . A 82 ILE HG22 . 25469 1 985 . 1 1 81 81 ILE HG23 H 1 0.941 0.004 . 1 . . . A 82 ILE HG23 . 25469 1 986 . 1 1 81 81 ILE HD11 H 1 1.013 0.006 . 1 . . . A 82 ILE HD11 . 25469 1 987 . 1 1 81 81 ILE HD12 H 1 1.013 0.006 . 1 . . . A 82 ILE HD12 . 25469 1 988 . 1 1 81 81 ILE HD13 H 1 1.013 0.006 . 1 . . . A 82 ILE HD13 . 25469 1 989 . 1 1 81 81 ILE C C 13 174.521 0.036 . 1 . . . A 82 ILE C . 25469 1 990 . 1 1 81 81 ILE CA C 13 59.134 0.017 . 1 . . . A 82 ILE CA . 25469 1 991 . 1 1 81 81 ILE CB C 13 40.967 0.035 . 1 . . . A 82 ILE CB . 25469 1 992 . 1 1 81 81 ILE CG1 C 13 27.764 0.058 . 1 . . . A 82 ILE CG1 . 25469 1 993 . 1 1 81 81 ILE CG2 C 13 19.319 0.016 . 1 . . . A 82 ILE CG2 . 25469 1 994 . 1 1 81 81 ILE CD1 C 13 15.733 0.013 . 1 . . . A 82 ILE CD1 . 25469 1 995 . 1 1 81 81 ILE N N 15 123.344 0.014 . 1 . . . A 82 ILE N . 25469 1 996 . 1 1 82 82 ASN H H 1 8.494 0.014 . 1 . . . A 83 ASN H . 25469 1 997 . 1 1 82 82 ASN HA H 1 4.842 0.004 . 1 . . . A 83 ASN HA . 25469 1 998 . 1 1 82 82 ASN HB2 H 1 3.172 0.006 . 2 . . . A 83 ASN HB2 . 25469 1 999 . 1 1 82 82 ASN HB3 H 1 2.928 0.006 . 2 . . . A 83 ASN HB3 . 25469 1 1000 . 1 1 82 82 ASN HD21 H 1 7.123 0.001 . 1 . . . A 83 ASN HD21 . 25469 1 1001 . 1 1 82 82 ASN HD22 H 1 6.971 0.005 . 1 . . . A 83 ASN HD22 . 25469 1 1002 . 1 1 82 82 ASN C C 13 174.566 0.027 . 1 . . . A 83 ASN C . 25469 1 1003 . 1 1 82 82 ASN CA C 13 53.128 0.016 . 1 . . . A 83 ASN CA . 25469 1 1004 . 1 1 82 82 ASN CB C 13 43.074 0.039 . 1 . . . A 83 ASN CB . 25469 1 1005 . 1 1 82 82 ASN N N 15 116.447 0.035 . 1 . . . A 83 ASN N . 25469 1 1006 . 1 1 82 82 ASN ND2 N 15 114.623 0.037 . 1 . . . A 83 ASN ND2 . 25469 1 1007 . 1 1 83 83 LEU H H 1 9.414 0.003 . 1 . . . A 84 LEU H . 25469 1 1008 . 1 1 83 83 LEU HA H 1 4.720 0.005 . 1 . . . A 84 LEU HA . 25469 1 1009 . 1 1 83 83 LEU HB2 H 1 1.527 0.002 . 2 . . . A 84 LEU HB2 . 25469 1 1010 . 1 1 83 83 LEU HB3 H 1 2.115 0.007 . 2 . . . A 84 LEU HB3 . 25469 1 1011 . 1 1 83 83 LEU HG H 1 1.854 0.005 . 1 . . . A 84 LEU HG . 25469 1 1012 . 1 1 83 83 LEU HD11 H 1 0.857 0.000 . 2 . . . A 84 LEU HD11 . 25469 1 1013 . 1 1 83 83 LEU HD12 H 1 0.857 0.000 . 2 . . . A 84 LEU HD12 . 25469 1 1014 . 1 1 83 83 LEU HD13 H 1 0.857 0.000 . 2 . . . A 84 LEU HD13 . 25469 1 1015 . 1 1 83 83 LEU HD21 H 1 0.895 0.001 . 2 . . . A 84 LEU HD21 . 25469 1 1016 . 1 1 83 83 LEU HD22 H 1 0.895 0.001 . 2 . . . A 84 LEU HD22 . 25469 1 1017 . 1 1 83 83 LEU HD23 H 1 0.895 0.001 . 2 . . . A 84 LEU HD23 . 25469 1 1018 . 1 1 83 83 LEU C C 13 180.969 0.046 . 1 . . . A 84 LEU C . 25469 1 1019 . 1 1 83 83 LEU CA C 13 56.357 0.025 . 1 . . . A 84 LEU CA . 25469 1 1020 . 1 1 83 83 LEU CB C 13 41.319 0.012 . 1 . . . A 84 LEU CB . 25469 1 1021 . 1 1 83 83 LEU CG C 13 28.773 0.011 . 1 . . . A 84 LEU CG . 25469 1 1022 . 1 1 83 83 LEU CD1 C 13 24.668 0.009 . 2 . . . A 84 LEU CD1 . 25469 1 1023 . 1 1 83 83 LEU CD2 C 13 25.142 0.005 . 2 . . . A 84 LEU CD2 . 25469 1 1024 . 1 1 83 83 LEU N N 15 123.786 0.019 . 1 . . . A 84 LEU N . 25469 1 1025 . 1 1 84 84 ALA H H 1 9.279 0.003 . 1 . . . A 85 ALA H . 25469 1 1026 . 1 1 84 84 ALA HA H 1 4.048 0.004 . 1 . . . A 85 ALA HA . 25469 1 1027 . 1 1 84 84 ALA HB1 H 1 1.643 0.007 . 1 . . . A 85 ALA HB1 . 25469 1 1028 . 1 1 84 84 ALA HB2 H 1 1.643 0.007 . 1 . . . A 85 ALA HB2 . 25469 1 1029 . 1 1 84 84 ALA HB3 H 1 1.643 0.007 . 1 . . . A 85 ALA HB3 . 25469 1 1030 . 1 1 84 84 ALA C C 13 177.932 0.017 . 1 . . . A 85 ALA C . 25469 1 1031 . 1 1 84 84 ALA CA C 13 56.349 0.017 . 1 . . . A 85 ALA CA . 25469 1 1032 . 1 1 84 84 ALA CB C 13 17.987 0.014 . 1 . . . A 85 ALA CB . 25469 1 1033 . 1 1 84 84 ALA N N 15 127.577 0.025 . 1 . . . A 85 ALA N . 25469 1 1034 . 1 1 85 85 ALA H H 1 8.687 0.006 . 1 . . . A 86 ALA H . 25469 1 1035 . 1 1 85 85 ALA HA H 1 4.411 0.004 . 1 . . . A 86 ALA HA . 25469 1 1036 . 1 1 85 85 ALA HB1 H 1 1.441 0.005 . 1 . . . A 86 ALA HB1 . 25469 1 1037 . 1 1 85 85 ALA HB2 H 1 1.441 0.005 . 1 . . . A 86 ALA HB2 . 25469 1 1038 . 1 1 85 85 ALA HB3 H 1 1.441 0.005 . 1 . . . A 86 ALA HB3 . 25469 1 1039 . 1 1 85 85 ALA C C 13 176.153 0.037 . 1 . . . A 86 ALA C . 25469 1 1040 . 1 1 85 85 ALA CA C 13 51.729 0.016 . 1 . . . A 86 ALA CA . 25469 1 1041 . 1 1 85 85 ALA CB C 13 19.310 0.004 . 1 . . . A 86 ALA CB . 25469 1 1042 . 1 1 85 85 ALA N N 15 116.071 0.020 . 1 . . . A 86 ALA N . 25469 1 1043 . 1 1 86 86 GLU H H 1 7.901 0.001 . 1 . . . A 87 GLU H . 25469 1 1044 . 1 1 86 86 GLU HA H 1 4.736 0.007 . 1 . . . A 87 GLU HA . 25469 1 1045 . 1 1 86 86 GLU HB2 H 1 2.029 0.003 . 2 . . . A 87 GLU HB2 . 25469 1 1046 . 1 1 86 86 GLU HB3 H 1 1.985 0.001 . 2 . . . A 87 GLU HB3 . 25469 1 1047 . 1 1 86 86 GLU HG2 H 1 2.046 0.001 . 2 . . . A 87 GLU HG2 . 25469 1 1048 . 1 1 86 86 GLU HG3 H 1 2.224 0.002 . 2 . . . A 87 GLU HG3 . 25469 1 1049 . 1 1 86 86 GLU C C 13 171.677 0.012 . 1 . . . A 87 GLU C . 25469 1 1050 . 1 1 86 86 GLU CA C 13 53.172 0.024 . 1 . . . A 87 GLU CA . 25469 1 1051 . 1 1 86 86 GLU CB C 13 29.973 0.016 . 1 . . . A 87 GLU CB . 25469 1 1052 . 1 1 86 86 GLU CG C 13 35.345 0.025 . 1 . . . A 87 GLU CG . 25469 1 1053 . 1 1 86 86 GLU N N 15 118.959 0.008 . 1 . . . A 87 GLU N . 25469 1 1054 . 1 1 87 87 PRO HA H 1 4.343 0.015 . 1 . . . A 88 PRO HA . 25469 1 1055 . 1 1 87 87 PRO HB2 H 1 1.639 0.004 . 2 . . . A 88 PRO HB2 . 25469 1 1056 . 1 1 87 87 PRO HB3 H 1 1.947 0.006 . 2 . . . A 88 PRO HB3 . 25469 1 1057 . 1 1 87 87 PRO HG2 H 1 1.783 0.011 . 2 . . . A 88 PRO HG2 . 25469 1 1058 . 1 1 87 87 PRO HG3 H 1 1.725 0.001 . 2 . . . A 88 PRO HG3 . 25469 1 1059 . 1 1 87 87 PRO HD2 H 1 3.465 0.004 . 2 . . . A 88 PRO HD2 . 25469 1 1060 . 1 1 87 87 PRO HD3 H 1 3.212 0.005 . 2 . . . A 88 PRO HD3 . 25469 1 1061 . 1 1 87 87 PRO C C 13 177.303 0.009 . 1 . . . A 88 PRO C . 25469 1 1062 . 1 1 87 87 PRO CA C 13 62.918 0.024 . 1 . . . A 88 PRO CA . 25469 1 1063 . 1 1 87 87 PRO CB C 13 31.898 0.018 . 1 . . . A 88 PRO CB . 25469 1 1064 . 1 1 87 87 PRO CG C 13 27.388 0.014 . 1 . . . A 88 PRO CG . 25469 1 1065 . 1 1 87 87 PRO CD C 13 50.220 0.009 . 1 . . . A 88 PRO CD . 25469 1 1066 . 1 1 88 88 LYS H H 1 7.973 0.003 . 1 . . . A 89 LYS H . 25469 1 1067 . 1 1 88 88 LYS HA H 1 4.227 0.005 . 1 . . . A 89 LYS HA . 25469 1 1068 . 1 1 88 88 LYS HB2 H 1 1.629 0.003 . 2 . . . A 89 LYS HB2 . 25469 1 1069 . 1 1 88 88 LYS HB3 H 1 1.829 0.008 . 2 . . . A 89 LYS HB3 . 25469 1 1070 . 1 1 88 88 LYS HG2 H 1 1.622 0.004 . 2 . . . A 89 LYS HG2 . 25469 1 1071 . 1 1 88 88 LYS HG3 H 1 1.423 0.007 . 2 . . . A 89 LYS HG3 . 25469 1 1072 . 1 1 88 88 LYS HD2 H 1 1.717 0.005 . 2 . . . A 89 LYS HD2 . 25469 1 1073 . 1 1 88 88 LYS HD3 H 1 1.809 0.003 . 2 . . . A 89 LYS HD3 . 25469 1 1074 . 1 1 88 88 LYS HE2 H 1 3.105 0.001 . 2 . . . A 89 LYS HE2 . 25469 1 1075 . 1 1 88 88 LYS HE3 H 1 3.076 0.002 . 2 . . . A 89 LYS HE3 . 25469 1 1076 . 1 1 88 88 LYS C C 13 177.690 0.010 . 1 . . . A 89 LYS C . 25469 1 1077 . 1 1 88 88 LYS CA C 13 56.802 0.027 . 1 . . . A 89 LYS CA . 25469 1 1078 . 1 1 88 88 LYS CB C 13 33.504 0.017 . 1 . . . A 89 LYS CB . 25469 1 1079 . 1 1 88 88 LYS CG C 13 25.840 0.034 . 1 . . . A 89 LYS CG . 25469 1 1080 . 1 1 88 88 LYS CD C 13 30.068 0.015 . 1 . . . A 89 LYS CD . 25469 1 1081 . 1 1 88 88 LYS CE C 13 42.282 0.013 . 1 . . . A 89 LYS CE . 25469 1 1082 . 1 1 88 88 LYS N N 15 121.298 0.039 . 1 . . . A 89 LYS N . 25469 1 1083 . 1 1 89 89 VAL H H 1 8.216 0.001 . 1 . . . A 90 VAL H . 25469 1 1084 . 1 1 89 89 VAL HA H 1 3.929 0.006 . 1 . . . A 90 VAL HA . 25469 1 1085 . 1 1 89 89 VAL HB H 1 2.042 0.003 . 1 . . . A 90 VAL HB . 25469 1 1086 . 1 1 89 89 VAL HG11 H 1 0.911 0.003 . 2 . . . A 90 VAL HG11 . 25469 1 1087 . 1 1 89 89 VAL HG12 H 1 0.911 0.003 . 2 . . . A 90 VAL HG12 . 25469 1 1088 . 1 1 89 89 VAL HG13 H 1 0.911 0.003 . 2 . . . A 90 VAL HG13 . 25469 1 1089 . 1 1 89 89 VAL HG21 H 1 0.922 0.004 . 2 . . . A 90 VAL HG21 . 25469 1 1090 . 1 1 89 89 VAL HG22 H 1 0.922 0.004 . 2 . . . A 90 VAL HG22 . 25469 1 1091 . 1 1 89 89 VAL HG23 H 1 0.922 0.004 . 2 . . . A 90 VAL HG23 . 25469 1 1092 . 1 1 89 89 VAL C C 13 176.170 0.023 . 1 . . . A 90 VAL C . 25469 1 1093 . 1 1 89 89 VAL CA C 13 63.217 0.041 . 1 . . . A 90 VAL CA . 25469 1 1094 . 1 1 89 89 VAL CB C 13 32.346 0.012 . 1 . . . A 90 VAL CB . 25469 1 1095 . 1 1 89 89 VAL CG1 C 13 20.933 0.021 . 2 . . . A 90 VAL CG1 . 25469 1 1096 . 1 1 89 89 VAL CG2 C 13 20.584 0.010 . 2 . . . A 90 VAL CG2 . 25469 1 1097 . 1 1 89 89 VAL N N 15 120.788 0.017 . 1 . . . A 90 VAL N . 25469 1 1098 . 1 1 90 90 ASN H H 1 8.451 0.001 . 1 . . . A 91 ASN H . 25469 1 1099 . 1 1 90 90 ASN HA H 1 4.659 0.003 . 1 . . . A 91 ASN HA . 25469 1 1100 . 1 1 90 90 ASN HB2 H 1 2.826 0.004 . 2 . . . A 91 ASN HB2 . 25469 1 1101 . 1 1 90 90 ASN HB3 H 1 2.777 0.007 . 2 . . . A 91 ASN HB3 . 25469 1 1102 . 1 1 90 90 ASN HD21 H 1 7.635 0.002 . 1 . . . A 91 ASN HD21 . 25469 1 1103 . 1 1 90 90 ASN HD22 H 1 6.937 0.003 . 1 . . . A 91 ASN HD22 . 25469 1 1104 . 1 1 90 90 ASN C C 13 175.173 0.007 . 1 . . . A 91 ASN C . 25469 1 1105 . 1 1 90 90 ASN CA C 13 53.037 0.005 . 1 . . . A 91 ASN CA . 25469 1 1106 . 1 1 90 90 ASN CB C 13 38.167 0.021 . 1 . . . A 91 ASN CB . 25469 1 1107 . 1 1 90 90 ASN N N 15 119.438 0.009 . 1 . . . A 91 ASN N . 25469 1 1108 . 1 1 90 90 ASN ND2 N 15 113.000 0.024 . 1 . . . A 91 ASN ND2 . 25469 1 1109 . 1 1 91 91 ARG H H 1 7.978 0.002 . 1 . . . A 92 ARG H . 25469 1 1110 . 1 1 91 91 ARG HA H 1 4.237 0.006 . 1 . . . A 92 ARG HA . 25469 1 1111 . 1 1 91 91 ARG HB2 H 1 1.806 0.003 . 2 . . . A 92 ARG HB2 . 25469 1 1112 . 1 1 91 91 ARG HB3 H 1 1.751 0.004 . 2 . . . A 92 ARG HB3 . 25469 1 1113 . 1 1 91 91 ARG HG2 H 1 1.558 0.007 . 1 . . . A 92 ARG HG2 . 25469 1 1114 . 1 1 91 91 ARG HG3 H 1 1.558 0.007 . 1 . . . A 92 ARG HG3 . 25469 1 1115 . 1 1 91 91 ARG HD2 H 1 3.149 0.005 . 2 . . . A 92 ARG HD2 . 25469 1 1116 . 1 1 91 91 ARG HD3 H 1 3.204 0.014 . 2 . . . A 92 ARG HD3 . 25469 1 1117 . 1 1 91 91 ARG HE H 1 7.280 0.002 . 1 . . . A 92 ARG HE . 25469 1 1118 . 1 1 91 91 ARG C C 13 177.002 0.028 . 1 . . . A 92 ARG C . 25469 1 1119 . 1 1 91 91 ARG CA C 13 56.644 0.005 . 1 . . . A 92 ARG CA . 25469 1 1120 . 1 1 91 91 ARG CB C 13 30.526 0.016 . 1 . . . A 92 ARG CB . 25469 1 1121 . 1 1 91 91 ARG CG C 13 27.252 0.027 . 1 . . . A 92 ARG CG . 25469 1 1122 . 1 1 91 91 ARG CD C 13 43.345 0.015 . 1 . . . A 92 ARG CD . 25469 1 1123 . 1 1 91 91 ARG N N 15 120.958 0.032 . 1 . . . A 92 ARG N . 25469 1 1124 . 1 1 91 91 ARG NE N 15 85.191 0.024 . 1 . . . A 92 ARG NE . 25469 1 1125 . 1 1 92 92 GLY H H 1 8.604 0.002 . 1 . . . A 93 GLY H . 25469 1 1126 . 1 1 92 92 GLY HA2 H 1 3.897 0.009 . 1 . . . A 93 GLY HA2 . 25469 1 1127 . 1 1 92 92 GLY HA3 H 1 3.897 0.009 . 1 . . . A 93 GLY HA3 . 25469 1 1128 . 1 1 92 92 GLY C C 13 174.246 0.013 . 1 . . . A 93 GLY C . 25469 1 1129 . 1 1 92 92 GLY CA C 13 45.384 0.020 . 1 . . . A 93 GLY CA . 25469 1 1130 . 1 1 92 92 GLY N N 15 110.275 0.017 . 1 . . . A 93 GLY N . 25469 1 1131 . 1 1 93 93 LYS H H 1 8.113 0.001 . 1 . . . A 94 LYS H . 25469 1 1132 . 1 1 93 93 LYS HA H 1 4.297 0.002 . 1 . . . A 94 LYS HA . 25469 1 1133 . 1 1 93 93 LYS HB2 H 1 1.831 0.007 . 2 . . . A 94 LYS HB2 . 25469 1 1134 . 1 1 93 93 LYS HB3 H 1 1.713 0.006 . 2 . . . A 94 LYS HB3 . 25469 1 1135 . 1 1 93 93 LYS HG2 H 1 1.416 0.001 . 2 . . . A 94 LYS HG2 . 25469 1 1136 . 1 1 93 93 LYS HG3 H 1 1.378 0.006 . 2 . . . A 94 LYS HG3 . 25469 1 1137 . 1 1 93 93 LYS HD2 H 1 1.664 0.003 . 1 . . . A 94 LYS HD2 . 25469 1 1138 . 1 1 93 93 LYS HD3 H 1 1.664 0.003 . 1 . . . A 94 LYS HD3 . 25469 1 1139 . 1 1 93 93 LYS HE2 H 1 2.971 0.006 . 1 . . . A 94 LYS HE2 . 25469 1 1140 . 1 1 93 93 LYS HE3 H 1 2.971 0.006 . 1 . . . A 94 LYS HE3 . 25469 1 1141 . 1 1 93 93 LYS C C 13 176.525 0.013 . 1 . . . A 94 LYS C . 25469 1 1142 . 1 1 93 93 LYS CA C 13 56.044 0.024 . 1 . . . A 94 LYS CA . 25469 1 1143 . 1 1 93 93 LYS CB C 13 33.025 0.013 . 1 . . . A 94 LYS CB . 25469 1 1144 . 1 1 93 93 LYS CG C 13 24.789 0.019 . 1 . . . A 94 LYS CG . 25469 1 1145 . 1 1 93 93 LYS CD C 13 29.042 0.014 . 1 . . . A 94 LYS CD . 25469 1 1146 . 1 1 93 93 LYS CE C 13 41.971 0.019 . 1 . . . A 94 LYS CE . 25469 1 1147 . 1 1 93 93 LYS N N 15 120.750 0.011 . 1 . . . A 94 LYS N . 25469 1 1148 . 1 1 94 94 ALA H H 1 8.367 0.005 . 1 . . . A 95 ALA H . 25469 1 1149 . 1 1 94 94 ALA HA H 1 4.299 0.003 . 1 . . . A 95 ALA HA . 25469 1 1150 . 1 1 94 94 ALA HB1 H 1 1.393 0.002 . 1 . . . A 95 ALA HB1 . 25469 1 1151 . 1 1 94 94 ALA HB2 H 1 1.393 0.002 . 1 . . . A 95 ALA HB2 . 25469 1 1152 . 1 1 94 94 ALA HB3 H 1 1.393 0.002 . 1 . . . A 95 ALA HB3 . 25469 1 1153 . 1 1 94 94 ALA C C 13 178.325 0.007 . 1 . . . A 95 ALA C . 25469 1 1154 . 1 1 94 94 ALA CA C 13 52.752 0.014 . 1 . . . A 95 ALA CA . 25469 1 1155 . 1 1 94 94 ALA CB C 13 19.140 0.032 . 1 . . . A 95 ALA CB . 25469 1 1156 . 1 1 94 94 ALA N N 15 124.912 0.029 . 1 . . . A 95 ALA N . 25469 1 1157 . 1 1 95 95 GLY H H 1 8.390 0.001 . 1 . . . A 96 GLY H . 25469 1 1158 . 1 1 95 95 GLY HA2 H 1 3.936 0.007 . 1 . . . A 96 GLY HA2 . 25469 1 1159 . 1 1 95 95 GLY HA3 H 1 3.936 0.007 . 1 . . . A 96 GLY HA3 . 25469 1 1160 . 1 1 95 95 GLY C C 13 174.096 0.011 . 1 . . . A 96 GLY C . 25469 1 1161 . 1 1 95 95 GLY CA C 13 45.241 0.023 . 1 . . . A 96 GLY CA . 25469 1 1162 . 1 1 95 95 GLY N N 15 108.328 0.028 . 1 . . . A 96 GLY N . 25469 1 1163 . 1 1 96 96 VAL H H 1 7.925 0.003 . 1 . . . A 97 VAL H . 25469 1 1164 . 1 1 96 96 VAL HA H 1 4.077 0.003 . 1 . . . A 97 VAL HA . 25469 1 1165 . 1 1 96 96 VAL HB H 1 2.047 0.003 . 1 . . . A 97 VAL HB . 25469 1 1166 . 1 1 96 96 VAL HG11 H 1 0.914 0.003 . 2 . . . A 97 VAL HG11 . 25469 1 1167 . 1 1 96 96 VAL HG12 H 1 0.914 0.003 . 2 . . . A 97 VAL HG12 . 25469 1 1168 . 1 1 96 96 VAL HG13 H 1 0.914 0.003 . 2 . . . A 97 VAL HG13 . 25469 1 1169 . 1 1 96 96 VAL HG21 H 1 0.920 0.004 . 2 . . . A 97 VAL HG21 . 25469 1 1170 . 1 1 96 96 VAL HG22 H 1 0.920 0.004 . 2 . . . A 97 VAL HG22 . 25469 1 1171 . 1 1 96 96 VAL HG23 H 1 0.920 0.004 . 2 . . . A 97 VAL HG23 . 25469 1 1172 . 1 1 96 96 VAL C C 13 176.156 0.013 . 1 . . . A 97 VAL C . 25469 1 1173 . 1 1 96 96 VAL CA C 13 62.299 0.019 . 1 . . . A 97 VAL CA . 25469 1 1174 . 1 1 96 96 VAL CB C 13 32.854 0.031 . 1 . . . A 97 VAL CB . 25469 1 1175 . 1 1 96 96 VAL CG1 C 13 21.007 0.026 . 2 . . . A 97 VAL CG1 . 25469 1 1176 . 1 1 96 96 VAL CG2 C 13 20.720 0.031 . 2 . . . A 97 VAL CG2 . 25469 1 1177 . 1 1 96 96 VAL N N 15 119.774 0.024 . 1 . . . A 97 VAL N . 25469 1 1178 . 1 1 97 97 LYS H H 1 8.473 0.001 . 1 . . . A 98 LYS H . 25469 1 1179 . 1 1 97 97 LYS HA H 1 4.326 0.005 . 1 . . . A 98 LYS HA . 25469 1 1180 . 1 1 97 97 LYS HB2 H 1 1.798 0.005 . 2 . . . A 98 LYS HB2 . 25469 1 1181 . 1 1 97 97 LYS HB3 H 1 1.733 0.006 . 2 . . . A 98 LYS HB3 . 25469 1 1182 . 1 1 97 97 LYS HG2 H 1 1.393 0.001 . 2 . . . A 98 LYS HG2 . 25469 1 1183 . 1 1 97 97 LYS HG3 H 1 1.446 0.001 . 2 . . . A 98 LYS HG3 . 25469 1 1184 . 1 1 97 97 LYS HD2 H 1 1.663 0.000 . 1 . . . A 98 LYS HD2 . 25469 1 1185 . 1 1 97 97 LYS HD3 H 1 1.663 0.000 . 1 . . . A 98 LYS HD3 . 25469 1 1186 . 1 1 97 97 LYS HE2 H 1 3.026 0.009 . 1 . . . A 98 LYS HE2 . 25469 1 1187 . 1 1 97 97 LYS HE3 H 1 3.026 0.009 . 1 . . . A 98 LYS HE3 . 25469 1 1188 . 1 1 97 97 LYS C C 13 176.427 0.000 . 1 . . . A 98 LYS C . 25469 1 1189 . 1 1 97 97 LYS CA C 13 56.101 0.016 . 1 . . . A 98 LYS CA . 25469 1 1190 . 1 1 97 97 LYS CB C 13 33.061 0.007 . 1 . . . A 98 LYS CB . 25469 1 1191 . 1 1 97 97 LYS CG C 13 24.866 0.000 . 1 . . . A 98 LYS CG . 25469 1 1192 . 1 1 97 97 LYS N N 15 126.024 0.009 . 1 . . . A 98 LYS N . 25469 1 1193 . 1 1 98 98 ARG H H 1 8.464 0.001 . 1 . . . A 99 ARG H . 25469 1 1194 . 1 1 98 98 ARG HA H 1 4.379 0.002 . 1 . . . A 99 ARG HA . 25469 1 1195 . 1 1 98 98 ARG HB2 H 1 1.742 0.004 . 2 . . . A 99 ARG HB2 . 25469 1 1196 . 1 1 98 98 ARG HB3 H 1 1.830 0.004 . 2 . . . A 99 ARG HB3 . 25469 1 1197 . 1 1 98 98 ARG HG2 H 1 1.657 0.002 . 2 . . . A 99 ARG HG2 . 25469 1 1198 . 1 1 98 98 ARG HG3 H 1 1.614 0.006 . 2 . . . A 99 ARG HG3 . 25469 1 1199 . 1 1 98 98 ARG HD2 H 1 3.164 0.004 . 2 . . . A 99 ARG HD2 . 25469 1 1200 . 1 1 98 98 ARG HD3 H 1 3.164 0.004 . 2 . . . A 99 ARG HD3 . 25469 1 1201 . 1 1 98 98 ARG HE H 1 7.239 0.006 . 1 . . . A 99 ARG HE . 25469 1 1202 . 1 1 98 98 ARG C C 13 176.231 0.006 . 1 . . . A 99 ARG C . 25469 1 1203 . 1 1 98 98 ARG CA C 13 55.932 0.019 . 1 . . . A 99 ARG CA . 25469 1 1204 . 1 1 98 98 ARG CB C 13 31.267 0.020 . 1 . . . A 99 ARG CB . 25469 1 1205 . 1 1 98 98 ARG CG C 13 27.227 0.016 . 1 . . . A 99 ARG CG . 25469 1 1206 . 1 1 98 98 ARG CD C 13 43.323 0.025 . 1 . . . A 99 ARG CD . 25469 1 1207 . 1 1 98 98 ARG N N 15 123.644 0.014 . 1 . . . A 99 ARG N . 25469 1 1208 . 1 1 98 98 ARG NE N 15 84.676 0.015 . 1 . . . A 99 ARG NE . 25469 1 1209 . 1 1 99 99 SER H H 1 8.516 0.001 . 1 . . . A 100 SER H . 25469 1 1210 . 1 1 99 99 SER HA H 1 4.449 0.002 . 1 . . . A 100 SER HA . 25469 1 1211 . 1 1 99 99 SER HB2 H 1 3.968 0.005 . 2 . . . A 100 SER HB2 . 25469 1 1212 . 1 1 99 99 SER HB3 H 1 3.872 0.003 . 2 . . . A 100 SER HB3 . 25469 1 1213 . 1 1 99 99 SER C C 13 174.556 0.004 . 1 . . . A 100 SER C . 25469 1 1214 . 1 1 99 99 SER CA C 13 57.985 0.015 . 1 . . . A 100 SER CA . 25469 1 1215 . 1 1 99 99 SER CB C 13 64.167 0.015 . 1 . . . A 100 SER CB . 25469 1 1216 . 1 1 99 99 SER N N 15 117.863 0.012 . 1 . . . A 100 SER N . 25469 1 1217 . 1 1 100 100 ALA H H 1 8.538 0.001 . 1 . . . A 101 ALA H . 25469 1 1218 . 1 1 100 100 ALA HA H 1 4.257 0.001 . 1 . . . A 101 ALA HA . 25469 1 1219 . 1 1 100 100 ALA HB1 H 1 1.434 0.004 . 1 . . . A 101 ALA HB1 . 25469 1 1220 . 1 1 100 100 ALA HB2 H 1 1.434 0.004 . 1 . . . A 101 ALA HB2 . 25469 1 1221 . 1 1 100 100 ALA HB3 H 1 1.434 0.004 . 1 . . . A 101 ALA HB3 . 25469 1 1222 . 1 1 100 100 ALA C C 13 178.047 0.000 . 1 . . . A 101 ALA C . 25469 1 1223 . 1 1 100 100 ALA CA C 13 53.348 0.020 . 1 . . . A 101 ALA CA . 25469 1 1224 . 1 1 100 100 ALA CB C 13 18.945 0.003 . 1 . . . A 101 ALA CB . 25469 1 1225 . 1 1 100 100 ALA N N 15 126.048 0.008 . 1 . . . A 101 ALA N . 25469 1 1226 . 1 1 101 101 ALA H H 1 8.212 0.004 . 1 . . . A 102 ALA H . 25469 1 1227 . 1 1 101 101 ALA HA H 1 4.225 0.002 . 1 . . . A 102 ALA HA . 25469 1 1228 . 1 1 101 101 ALA HB1 H 1 1.383 0.003 . 1 . . . A 102 ALA HB1 . 25469 1 1229 . 1 1 101 101 ALA HB2 H 1 1.383 0.003 . 1 . . . A 102 ALA HB2 . 25469 1 1230 . 1 1 101 101 ALA HB3 H 1 1.383 0.003 . 1 . . . A 102 ALA HB3 . 25469 1 1231 . 1 1 101 101 ALA C C 13 178.254 0.009 . 1 . . . A 102 ALA C . 25469 1 1232 . 1 1 101 101 ALA CA C 13 53.045 0.000 . 1 . . . A 102 ALA CA . 25469 1 1233 . 1 1 101 101 ALA CB C 13 19.043 0.021 . 1 . . . A 102 ALA CB . 25469 1 1234 . 1 1 101 101 ALA N N 15 121.566 0.016 . 1 . . . A 102 ALA N . 25469 1 1235 . 1 1 102 102 GLU H H 1 8.071 0.004 . 1 . . . A 103 GLU H . 25469 1 1236 . 1 1 102 102 GLU HA H 1 4.201 0.002 . 1 . . . A 103 GLU HA . 25469 1 1237 . 1 1 102 102 GLU HB2 H 1 2.010 0.003 . 2 . . . A 103 GLU HB2 . 25469 1 1238 . 1 1 102 102 GLU HB3 H 1 1.955 0.005 . 2 . . . A 103 GLU HB3 . 25469 1 1239 . 1 1 102 102 GLU HG2 H 1 2.236 0.005 . 1 . . . A 103 GLU HG2 . 25469 1 1240 . 1 1 102 102 GLU HG3 H 1 2.236 0.005 . 1 . . . A 103 GLU HG3 . 25469 1 1241 . 1 1 102 102 GLU C C 13 176.516 0.020 . 1 . . . A 103 GLU C . 25469 1 1242 . 1 1 102 102 GLU CA C 13 56.656 0.017 . 1 . . . A 103 GLU CA . 25469 1 1243 . 1 1 102 102 GLU CB C 13 30.227 0.022 . 1 . . . A 103 GLU CB . 25469 1 1244 . 1 1 102 102 GLU CG C 13 36.576 0.020 . 1 . . . A 103 GLU CG . 25469 1 1245 . 1 1 102 102 GLU N N 15 118.735 0.011 . 1 . . . A 103 GLU N . 25469 1 1246 . 1 1 103 103 MET H H 1 8.073 0.001 . 1 . . . A 104 MET H . 25469 1 1247 . 1 1 103 103 MET HA H 1 4.326 0.002 . 1 . . . A 104 MET HA . 25469 1 1248 . 1 1 103 103 MET HB2 H 1 1.855 0.005 . 1 . . . A 104 MET HB2 . 25469 1 1249 . 1 1 103 103 MET HB3 H 1 1.855 0.005 . 1 . . . A 104 MET HB3 . 25469 1 1250 . 1 1 103 103 MET HG2 H 1 2.415 0.004 . 2 . . . A 104 MET HG2 . 25469 1 1251 . 1 1 103 103 MET HG3 H 1 2.341 0.006 . 2 . . . A 104 MET HG3 . 25469 1 1252 . 1 1 103 103 MET HE1 H 1 2.020 0.004 . 1 . . . A 104 MET HE1 . 25469 1 1253 . 1 1 103 103 MET HE2 H 1 2.020 0.004 . 1 . . . A 104 MET HE2 . 25469 1 1254 . 1 1 103 103 MET HE3 H 1 2.020 0.004 . 1 . . . A 104 MET HE3 . 25469 1 1255 . 1 1 103 103 MET C C 13 175.862 0.016 . 1 . . . A 104 MET C . 25469 1 1256 . 1 1 103 103 MET CA C 13 55.939 0.025 . 1 . . . A 104 MET CA . 25469 1 1257 . 1 1 103 103 MET CB C 13 32.999 0.020 . 1 . . . A 104 MET CB . 25469 1 1258 . 1 1 103 103 MET CG C 13 31.911 0.034 . 1 . . . A 104 MET CG . 25469 1 1259 . 1 1 103 103 MET CE C 13 16.834 0.003 . 1 . . . A 104 MET CE . 25469 1 1260 . 1 1 103 103 MET N N 15 120.106 0.009 . 1 . . . A 104 MET N . 25469 1 1261 . 1 1 104 104 TYR H H 1 8.126 0.002 . 1 . . . A 105 TYR H . 25469 1 1262 . 1 1 104 104 TYR HA H 1 4.653 0.004 . 1 . . . A 105 TYR HA . 25469 1 1263 . 1 1 104 104 TYR HB2 H 1 2.899 0.008 . 2 . . . A 105 TYR HB2 . 25469 1 1264 . 1 1 104 104 TYR HB3 H 1 3.176 0.007 . 2 . . . A 105 TYR HB3 . 25469 1 1265 . 1 1 104 104 TYR HD1 H 1 7.139 0.006 . 1 . . . A 105 TYR HD1 . 25469 1 1266 . 1 1 104 104 TYR HD2 H 1 7.139 0.006 . 1 . . . A 105 TYR HD2 . 25469 1 1267 . 1 1 104 104 TYR HE1 H 1 6.818 0.006 . 1 . . . A 105 TYR HE1 . 25469 1 1268 . 1 1 104 104 TYR HE2 H 1 6.818 0.006 . 1 . . . A 105 TYR HE2 . 25469 1 1269 . 1 1 104 104 TYR C C 13 175.319 0.003 . 1 . . . A 105 TYR C . 25469 1 1270 . 1 1 104 104 TYR CA C 13 57.595 0.012 . 1 . . . A 105 TYR CA . 25469 1 1271 . 1 1 104 104 TYR CB C 13 38.939 0.027 . 1 . . . A 105 TYR CB . 25469 1 1272 . 1 1 104 104 TYR CD1 C 13 133.232 0.000 . 1 . . . A 105 TYR CD1 . 25469 1 1273 . 1 1 104 104 TYR CE1 C 13 118.060 0.000 . 1 . . . A 105 TYR CE1 . 25469 1 1274 . 1 1 104 104 TYR N N 15 120.285 0.009 . 1 . . . A 105 TYR N . 25469 1 1275 . 1 1 105 105 GLY H H 1 7.886 0.002 . 1 . . . A 106 GLY H . 25469 1 1276 . 1 1 105 105 GLY HA2 H 1 3.747 0.005 . 1 . . . A 106 GLY HA2 . 25469 1 1277 . 1 1 105 105 GLY HA3 H 1 3.747 0.005 . 1 . . . A 106 GLY HA3 . 25469 1 1278 . 1 1 105 105 GLY C C 13 178.900 0.013 . 1 . . . A 106 GLY C . 25469 1 1279 . 1 1 105 105 GLY CA C 13 46.124 0.028 . 1 . . . A 106 GLY CA . 25469 1 1280 . 1 1 105 105 GLY N N 15 116.277 0.005 . 1 . . . A 106 GLY N . 25469 1 1281 . 2 2 1 1 U H1' H 1 6.407 0.004 . 1 . . . B 1 U H1' . 25469 1 1282 . 2 2 1 1 U H2' H 1 4.577 0.002 . 1 . . . B 1 U H2' . 25469 1 1283 . 2 2 1 1 U H3' H 1 4.846 0.003 . 1 . . . B 1 U H3' . 25469 1 1284 . 2 2 1 1 U H4' H 1 4.209 0.003 . 1 . . . B 1 U H4' . 25469 1 1285 . 2 2 1 1 U H5 H 1 5.898 0.003 . 1 . . . B 1 U H5 . 25469 1 1286 . 2 2 1 1 U H5' H 1 4.122 0.001 . 1 . . . B 1 U H5' . 25469 1 1287 . 2 2 1 1 U H5'' H 1 4.122 0.001 . 1 . . . B 1 U H5'' . 25469 1 1288 . 2 2 1 1 U H6 H 1 8.080 0.001 . 1 . . . B 1 U H6 . 25469 1 1289 . 2 2 2 2 U H1' H 1 6.080 0.002 . 1 . . . B 2 U H1' . 25469 1 1290 . 2 2 2 2 U H2' H 1 4.158 0.003 . 1 . . . B 2 U H2' . 25469 1 1291 . 2 2 2 2 U H3 H 1 10.914 0.002 . 1 . . . B 2 U H3 . 25469 1 1292 . 2 2 2 2 U H3' H 1 4.608 0.004 . 1 . . . B 2 U H3' . 25469 1 1293 . 2 2 2 2 U H4' H 1 3.817 0.004 . 1 . . . B 2 U H4' . 25469 1 1294 . 2 2 2 2 U H5 H 1 4.767 0.002 . 1 . . . B 2 U H5 . 25469 1 1295 . 2 2 2 2 U H5' H 1 3.408 0.004 . 2 . . . B 2 U H5' . 25469 1 1296 . 2 2 2 2 U H5'' H 1 2.106 0.002 . 2 . . . B 2 U H5'' . 25469 1 1297 . 2 2 2 2 U H6 H 1 7.069 0.004 . 1 . . . B 2 U H6 . 25469 1 1298 . 2 2 3 3 U H1' H 1 5.848 0.001 . 1 . . . B 3 U H1' . 25469 1 1299 . 2 2 3 3 U H2' H 1 4.389 0.003 . 1 . . . B 3 U H2' . 25469 1 1300 . 2 2 3 3 U H3' H 1 4.896 0.004 . 1 . . . B 3 U H3' . 25469 1 1301 . 2 2 3 3 U H4' H 1 4.475 0.004 . 1 . . . B 3 U H4' . 25469 1 1302 . 2 2 3 3 U H5 H 1 6.180 0.002 . 1 . . . B 3 U H5 . 25469 1 1303 . 2 2 3 3 U H5' H 1 4.289 0.003 . 2 . . . B 3 U H5' . 25469 1 1304 . 2 2 3 3 U H5'' H 1 3.925 0.002 . 2 . . . B 3 U H5'' . 25469 1 1305 . 2 2 3 3 U H6 H 1 7.735 0.003 . 1 . . . B 3 U H6 . 25469 1 1306 . 2 2 4 4 U H1' H 1 6.081 0.003 . 1 . . . B 4 U H1' . 25469 1 1307 . 2 2 4 4 U H2' H 1 4.494 0.003 . 1 . . . B 4 U H2' . 25469 1 1308 . 2 2 4 4 U H3' H 1 4.762 0.003 . 1 . . . B 4 U H3' . 25469 1 1309 . 2 2 4 4 U H4' H 1 4.589 0.002 . 1 . . . B 4 U H4' . 25469 1 1310 . 2 2 4 4 U H5 H 1 6.194 0.004 . 1 . . . B 4 U H5 . 25469 1 1311 . 2 2 4 4 U H5' H 1 4.524 0.010 . 2 . . . B 4 U H5' . 25469 1 1312 . 2 2 4 4 U H5'' H 1 4.283 0.004 . 2 . . . B 4 U H5'' . 25469 1 1313 . 2 2 4 4 U H6 H 1 8.150 0.002 . 1 . . . B 4 U H6 . 25469 1 1314 . 2 2 5 5 C H1' H 1 5.986 0.002 . 1 . . . B 5 C H1' . 25469 1 1315 . 2 2 5 5 C H2' H 1 4.308 0.002 . 1 . . . B 5 C H2' . 25469 1 1316 . 2 2 5 5 C H3' H 1 4.344 0.004 . 1 . . . B 5 C H3' . 25469 1 1317 . 2 2 5 5 C H4' H 1 4.269 0.002 . 1 . . . B 5 C H4' . 25469 1 1318 . 2 2 5 5 C H5 H 1 6.135 0.003 . 1 . . . B 5 C H5 . 25469 1 1319 . 2 2 5 5 C H5' H 1 4.265 0.000 . 2 . . . B 5 C H5' . 25469 1 1320 . 2 2 5 5 C H5'' H 1 4.163 0.002 . 2 . . . B 5 C H5'' . 25469 1 1321 . 2 2 5 5 C H6 H 1 7.940 0.003 . 1 . . . B 5 C H6 . 25469 1 stop_ save_