data_19382 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19382 _Entry.Title ; Solution structure of hnRNP G RRM in complex with the RNA 5'-AUCAAA-3' ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-22 _Entry.Accession_date 2013-07-22 _Entry.Last_release_date 2014-05-06 _Entry.Original_release_date 2014-05-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ahmed Moursy . . . 19382 2 Frederic Allain . H.T. . 19382 3 Antoine Clery . . . 19382 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' . 19382 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'hnRNP G' . 19382 NMR . 19382 RRM . 19382 SMA . 19382 SMN . 19382 Splicing . 19382 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19382 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 19382 '15N chemical shifts' 97 19382 '1H chemical shifts' 685 19382 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 . . 2014-05-06 2013-07-22 original author . 19382 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19382 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24692659 _Citation.Full_citation . _Citation.Title 'Characterization of the RNA recognition mode of hnRNP G extends its role in SMN2 splicing regulation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _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 Ahmed Moursy . . . 19382 1 2 'Frederic H-T' Allain . . . 19382 1 3 Antoine Clery . . . 19382 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19382 _Assembly.ID 1 _Assembly.Name 'hnRNP G RRM in complex with the RNA 5'-AUCAAA-3'' _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 G RRM' 1 $hnRNP_G_RRM A . yes native no no . . . 19382 1 2 'RNA (5'-R(*AP*UP*CP*AP*AP*A)-3')' 2 $RNA_AUCAAA B . yes native no no . . . 19382 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hnRNP_G_RRM _Entity.Sf_category entity _Entity.Sf_framecode hnRNP_G_RRM _Entity.Entry_ID 19382 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hnRNP_G_RRM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVEADRPGKLFIGGLNTETN EKALEAVFGKYGRIVEVLLM KDRETNKSRGFAFVTFESPA DAKDAARDMNGKSLDGKAIK VEQATKPSFESGRRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10413.906 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19792 . entity . . . . . 94.74 92 100.00 100.00 2.58e-56 . . . . 19382 1 2 no PDB 2MB0 . "Solution Structure Of Hnrnp G Rrm In Complex With The Rna 5'-aucaaa-3'" . . . . . 100.00 95 100.00 100.00 4.18e-60 . . . . 19382 1 3 no PDB 2MKS . "Nmr Structure Of The Rrm Domain Of Rbmx From Homo Sapiens" . . . . . 94.74 92 100.00 100.00 2.58e-56 . . . . 19382 1 4 no DBJ BAC31099 . "unnamed protein product [Mus musculus]" . . . . . 100.00 388 98.95 100.00 2.08e-58 . . . . 19382 1 5 no DBJ BAE00972 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 391 100.00 100.00 1.27e-58 . . . . 19382 1 6 no DBJ BAE22448 . "unnamed protein product [Mus musculus]" . . . . . 100.00 391 100.00 100.00 1.55e-58 . . . . 19382 1 7 no DBJ BAE37998 . "unnamed protein product [Mus musculus]" . . . . . 100.00 289 100.00 100.00 5.99e-59 . . . . 19382 1 8 no DBJ BAF62396 . "RNA binding motif protein, X-linked [Pan troglodytes verus]" . . . . . 100.00 391 100.00 100.00 1.19e-58 . . . . 19382 1 9 no EMBL CAA80599 . "hnRNP G protein [Homo sapiens]" . . . . . 100.00 391 100.00 100.00 1.27e-58 . . . . 19382 1 10 no EMBL CAB51361 . "heterogeneous nuclear ribonucleoprotein G [Mus musculus]" . . . . . 100.00 289 100.00 100.00 5.99e-59 . . . . 19382 1 11 no EMBL CAB51362 . "heterogeneous nuclear ribonucleoprotein G [Mus musculus]" . . . . . 100.00 391 100.00 100.00 1.55e-58 . . . . 19382 1 12 no EMBL CAG31684 . "hypothetical protein RCJMB04_9j22 [Gallus gallus]" . . . . . 101.05 385 98.96 98.96 4.43e-57 . . . . 19382 1 13 no EMBL CAI46148 . "hypothetical protein [Homo sapiens]" . . . . . 94.74 390 97.78 98.89 1.50e-52 . . . . 19382 1 14 no GB AAH03710 . "RNA binding motif protein, X chromosome [Mus musculus]" . . . . . 100.00 391 100.00 100.00 1.55e-58 . . . . 19382 1 15 no GB AAH06550 . "RNA binding motif protein, X-linked [Homo sapiens]" . . . . . 100.00 391 100.00 100.00 1.19e-58 . . . . 19382 1 16 no GB AAH07435 . "RNA binding motif protein, X-linked [Homo sapiens]" . . . . . 100.00 391 100.00 100.00 1.19e-58 . . . . 19382 1 17 no GB AAH11441 . "Rbmxrt protein [Mus musculus]" . . . . . 100.00 388 98.95 100.00 2.08e-58 . . . . 19382 1 18 no GB AAH12942 . "Cysteine conjugate-beta lyase 2 [Homo sapiens]" . . . . . 94.74 390 97.78 98.89 1.50e-52 . . . . 19382 1 19 no PIR S41766 . "heterogeneous nuclear ribonucleoprotein G - human" . . . . . 100.00 437 100.00 100.00 2.08e-57 . . . . 19382 1 20 no REF NP_001020834 . "RNA-binding motif protein, X chromosome [Rattus norvegicus]" . . . . . 100.00 390 100.00 100.00 1.65e-58 . . . . 19382 1 21 no REF NP_001073196 . "heterogeneous nuclear ribonucleoprotein G [Gallus gallus]" . . . . . 101.05 385 98.96 98.96 4.43e-57 . . . . 19382 1 22 no REF NP_001100890 . "RNA-binding motif protein, X chromosome retrogene-like [Rattus norvegicus]" . . . . . 100.00 388 97.89 98.95 1.21e-57 . . . . 19382 1 23 no REF NP_001128678 . "RNA-binding motif protein, X chromosome [Pan troglodytes]" . . . . . 100.00 391 100.00 100.00 1.19e-58 . . . . 19382 1 24 no REF NP_001156008 . "RNA binding motif protein, X-linked-like-1 [Homo sapiens]" . . . . . 94.74 390 97.78 98.89 1.50e-52 . . . . 19382 1 25 no SP A5A6M3 . "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Heterogeneous nuclear ribonucleoprotein G; Short=hnRNP G; " . . . . . 100.00 391 100.00 100.00 1.19e-58 . . . . 19382 1 26 no SP D4AE41 . "RecName: Full=RNA binding motif protein, X-linked-like-1; AltName: Full=Heterogeneous nuclear ribonucleoprotein G-like 1; Conta" . . . . . 100.00 388 97.89 98.95 2.11e-57 . . . . 19382 1 27 no SP P38159 . "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Glycoprotein p43; AltName: Full=Heterogeneous nuclear ribo" . . . . . 100.00 391 100.00 100.00 1.19e-58 . . . . 19382 1 28 no SP P84586 . "RecName: Full=RNA-binding motif protein, X chromosome retrogene-like; AltName: Full=Heterogeneous nuclear ribonucleoprotein G r" . . . . . 100.00 388 97.89 98.95 1.21e-57 . . . . 19382 1 29 no SP Q4R7F0 . "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Heterogeneous nuclear ribonucleoprotein G; Short=hnRNP G; " . . . . . 100.00 391 100.00 100.00 1.27e-58 . . . . 19382 1 30 no TPG DAA13328 . "TPA: RNA binding motif protein, X-linked isoform 1 [Bos taurus]" . . . . . 100.00 391 100.00 100.00 1.19e-58 . . . . 19382 1 31 no TPG DAA13329 . "TPA: RNA binding motif protein, X-linked isoform 2 [Bos taurus]" . . . . . 58.95 352 100.00 100.00 1.89e-28 . . . . 19382 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 . MET . 19382 1 2 . VAL . 19382 1 3 . GLU . 19382 1 4 . ALA . 19382 1 5 . ASP . 19382 1 6 . ARG . 19382 1 7 . PRO . 19382 1 8 . GLY . 19382 1 9 . LYS . 19382 1 10 . LEU . 19382 1 11 . PHE . 19382 1 12 . ILE . 19382 1 13 . GLY . 19382 1 14 . GLY . 19382 1 15 . LEU . 19382 1 16 . ASN . 19382 1 17 . THR . 19382 1 18 . GLU . 19382 1 19 . THR . 19382 1 20 . ASN . 19382 1 21 . GLU . 19382 1 22 . LYS . 19382 1 23 . ALA . 19382 1 24 . LEU . 19382 1 25 . GLU . 19382 1 26 . ALA . 19382 1 27 . VAL . 19382 1 28 . PHE . 19382 1 29 . GLY . 19382 1 30 . LYS . 19382 1 31 . TYR . 19382 1 32 . GLY . 19382 1 33 . ARG . 19382 1 34 . ILE . 19382 1 35 . VAL . 19382 1 36 . GLU . 19382 1 37 . VAL . 19382 1 38 . LEU . 19382 1 39 . LEU . 19382 1 40 . MET . 19382 1 41 . LYS . 19382 1 42 . ASP . 19382 1 43 . ARG . 19382 1 44 . GLU . 19382 1 45 . THR . 19382 1 46 . ASN . 19382 1 47 . LYS . 19382 1 48 . SER . 19382 1 49 . ARG . 19382 1 50 . GLY . 19382 1 51 . PHE . 19382 1 52 . ALA . 19382 1 53 . PHE . 19382 1 54 . VAL . 19382 1 55 . THR . 19382 1 56 . PHE . 19382 1 57 . GLU . 19382 1 58 . SER . 19382 1 59 . PRO . 19382 1 60 . ALA . 19382 1 61 . ASP . 19382 1 62 . ALA . 19382 1 63 . LYS . 19382 1 64 . ASP . 19382 1 65 . ALA . 19382 1 66 . ALA . 19382 1 67 . ARG . 19382 1 68 . ASP . 19382 1 69 . MET . 19382 1 70 . ASN . 19382 1 71 . GLY . 19382 1 72 . LYS . 19382 1 73 . SER . 19382 1 74 . LEU . 19382 1 75 . ASP . 19382 1 76 . GLY . 19382 1 77 . LYS . 19382 1 78 . ALA . 19382 1 79 . ILE . 19382 1 80 . LYS . 19382 1 81 . VAL . 19382 1 82 . GLU . 19382 1 83 . GLN . 19382 1 84 . ALA . 19382 1 85 . THR . 19382 1 86 . LYS . 19382 1 87 . PRO . 19382 1 88 . SER . 19382 1 89 . PHE . 19382 1 90 . GLU . 19382 1 91 . SER . 19382 1 92 . GLY . 19382 1 93 . ARG . 19382 1 94 . ARG . 19382 1 95 . GLY . 19382 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19382 1 . VAL 2 2 19382 1 . GLU 3 3 19382 1 . ALA 4 4 19382 1 . ASP 5 5 19382 1 . ARG 6 6 19382 1 . PRO 7 7 19382 1 . GLY 8 8 19382 1 . LYS 9 9 19382 1 . LEU 10 10 19382 1 . PHE 11 11 19382 1 . ILE 12 12 19382 1 . GLY 13 13 19382 1 . GLY 14 14 19382 1 . LEU 15 15 19382 1 . ASN 16 16 19382 1 . THR 17 17 19382 1 . GLU 18 18 19382 1 . THR 19 19 19382 1 . ASN 20 20 19382 1 . GLU 21 21 19382 1 . LYS 22 22 19382 1 . ALA 23 23 19382 1 . LEU 24 24 19382 1 . GLU 25 25 19382 1 . ALA 26 26 19382 1 . VAL 27 27 19382 1 . PHE 28 28 19382 1 . GLY 29 29 19382 1 . LYS 30 30 19382 1 . TYR 31 31 19382 1 . GLY 32 32 19382 1 . ARG 33 33 19382 1 . ILE 34 34 19382 1 . VAL 35 35 19382 1 . GLU 36 36 19382 1 . VAL 37 37 19382 1 . LEU 38 38 19382 1 . LEU 39 39 19382 1 . MET 40 40 19382 1 . LYS 41 41 19382 1 . ASP 42 42 19382 1 . ARG 43 43 19382 1 . GLU 44 44 19382 1 . THR 45 45 19382 1 . ASN 46 46 19382 1 . LYS 47 47 19382 1 . SER 48 48 19382 1 . ARG 49 49 19382 1 . GLY 50 50 19382 1 . PHE 51 51 19382 1 . ALA 52 52 19382 1 . PHE 53 53 19382 1 . VAL 54 54 19382 1 . THR 55 55 19382 1 . PHE 56 56 19382 1 . GLU 57 57 19382 1 . SER 58 58 19382 1 . PRO 59 59 19382 1 . ALA 60 60 19382 1 . ASP 61 61 19382 1 . ALA 62 62 19382 1 . LYS 63 63 19382 1 . ASP 64 64 19382 1 . ALA 65 65 19382 1 . ALA 66 66 19382 1 . ARG 67 67 19382 1 . ASP 68 68 19382 1 . MET 69 69 19382 1 . ASN 70 70 19382 1 . GLY 71 71 19382 1 . LYS 72 72 19382 1 . SER 73 73 19382 1 . LEU 74 74 19382 1 . ASP 75 75 19382 1 . GLY 76 76 19382 1 . LYS 77 77 19382 1 . ALA 78 78 19382 1 . ILE 79 79 19382 1 . LYS 80 80 19382 1 . VAL 81 81 19382 1 . GLU 82 82 19382 1 . GLN 83 83 19382 1 . ALA 84 84 19382 1 . THR 85 85 19382 1 . LYS 86 86 19382 1 . PRO 87 87 19382 1 . SER 88 88 19382 1 . PHE 89 89 19382 1 . GLU 90 90 19382 1 . SER 91 91 19382 1 . GLY 92 92 19382 1 . ARG 93 93 19382 1 . ARG 94 94 19382 1 . GLY 95 95 19382 1 stop_ save_ save_RNA_AUCAAA _Entity.Sf_category entity _Entity.Sf_framecode RNA_AUCAAA _Entity.Entry_ID 19382 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_AUCAAA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code AUCAAA _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 6 _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 1883.228 _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 . A . 19382 2 2 . U . 19382 2 3 . C . 19382 2 4 . A . 19382 2 5 . A . 19382 2 6 . A . 19382 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 . A 1 1 19382 2 . U 2 2 19382 2 . C 3 3 19382 2 . A 4 4 19382 2 . A 5 5 19382 2 . A 6 6 19382 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 19382 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hnRNP_G_RRM . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19382 1 2 2 $RNA_AUCAAA . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19382 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 19382 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hnRNP_G_RRM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 19382 1 2 2 $RNA_AUCAAA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19382 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_H2O _Sample.Entry_ID 19382 _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 hnRNP_G_RRM '[U-100% 15N]' . . 1 $hnRNP_G_RRM . . 1 . . mM . . . . 19382 1 2 'RNA (5'-R(*AP*UP*CP*AP*AP*A)-3')' 'natural abundance' . . 2 $RNA_AUCAAA . . 1 . . mM . . . . 19382 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19382 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19382 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19382 1 6 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 19382 1 stop_ save_ save_15N_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_D2O _Sample.Entry_ID 19382 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hnRNP_G_RRM '[U-100% 15N]' . . 1 $hnRNP_G_RRM . . 1 . . mM . . . . 19382 2 2 'RNA (5'-R(*AP*UP*CP*AP*AP*A)-3')' 'natural abundance' . . 2 $RNA_AUCAAA . . 1 . . mM . . . . 19382 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19382 2 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19382 2 5 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 19382 2 stop_ save_ save_13C_H2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_H2O _Sample.Entry_ID 19382 _Sample.ID 3 _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 hnRNP_G_RRM '[U-100% 13C; U-100% 15N]' . . 1 $hnRNP_G_RRM . . 1 . . mM . . . . 19382 3 2 'RNA (5'-R(*AP*UP*CP*AP*AP*A)-3')' 'natural abundance' . . 2 $RNA_AUCAAA . . 1 . . mM . . . . 19382 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19382 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19382 3 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19382 3 6 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 19382 3 stop_ save_ save_13C_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_D2O _Sample.Entry_ID 19382 _Sample.ID 4 _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 hnRNP_G_RRM '[U-100% 13C; U-100% 15N]' . . 1 $hnRNP_G_RRM . . 1 . . mM . . . . 19382 4 2 'RNA (5'-R(*AP*UP*CP*AP*AP*A)-3')' 'natural abundance' . . 2 $RNA_AUCAAA . . 1 . . mM . . . . 19382 4 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19382 4 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19382 4 5 NaH2PO4 'natural abundance' . . . . . . 20 . . mM . . . . 19382 4 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 19382 _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' 70 . mM 19382 1 pH 5.5 . pH 19382 1 pressure 1 . atm 19382 1 temperature 313 . K 19382 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19382 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19382 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19382 1 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 19382 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19382 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19382 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19382 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19382 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 19382 1 2 spectrometer_2 Bruker Avance . 600 . . . 19382 1 3 spectrometer_3 Bruker Avance . 700 . . . 19382 1 4 spectrometer_4 Bruker Avance . 900 . . . 19382 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 19382 _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 $NMR_spectrometer_expt . . . . . . . . 1 $15N_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 2 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $13C_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 3 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $13C_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 4 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $15N_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 5 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $15N_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $13C_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 7 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $13C_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 8 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $13C_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 9 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $13C_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 10 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $13C_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 11 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $13C_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 12 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $15N_H2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19382 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19382 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AMBER _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19382 _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 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19382 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19382 1 N 15 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19382 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 19382 _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 10 '3D 1H-13C NOESY aliphatic' . . . 19382 1 11 '3D 1H-13C NOESY aromatic' . . . 19382 1 12 '3D 1H-15N NOESY' . . . 19382 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 MET HA H 1 4.544 0.003 . 1 . . . B 1 MET HA . 19382 1 2 . 1 1 1 1 MET HB2 H 1 2.027 0.007 . 1 . . . B 1 MET HB2 . 19382 1 3 . 1 1 1 1 MET HB3 H 1 2.085 0.008 . 2 . . . B 1 MET HB3 . 19382 1 4 . 1 1 1 1 MET HG2 H 1 2.552 0.009 . 2 . . . B 1 MET HG2 . 19382 1 5 . 1 1 1 1 MET HG3 H 1 2.595 0.001 . 2 . . . B 1 MET HG3 . 19382 1 6 . 1 1 1 1 MET HE1 H 1 2.107 0.000 . 1 . . . B 1 MET HE1 . 19382 1 7 . 1 1 1 1 MET HE2 H 1 2.107 0.000 . 1 . . . B 1 MET HE2 . 19382 1 8 . 1 1 1 1 MET HE3 H 1 2.107 0.000 . 1 . . . B 1 MET HE3 . 19382 1 9 . 1 1 1 1 MET H H 1 8.372 0.003 . 1 . . . B 1 MET H1 . 19382 1 10 . 1 1 1 1 MET CA C 13 55.594 0.050 . 1 . . . B 1 MET CA . 19382 1 11 . 1 1 1 1 MET CB C 13 33.122 0.030 . 1 . . . B 1 MET CB . 19382 1 12 . 1 1 1 1 MET CG C 13 32.182 0.038 . 1 . . . B 1 MET CG . 19382 1 13 . 1 1 1 1 MET CE C 13 17.121 0.000 . 1 . . . B 1 MET CE . 19382 1 14 . 1 1 1 1 MET N N 15 121.962 0.000 . 1 . . . B 1 MET N . 19382 1 15 . 1 1 2 2 VAL H H 1 8.063 0.004 . 1 . . . B 2 VAL H . 19382 1 16 . 1 1 2 2 VAL HA H 1 4.240 0.002 . 1 . . . B 2 VAL HA . 19382 1 17 . 1 1 2 2 VAL HB H 1 2.012 0.004 . 1 . . . B 2 VAL HB . 19382 1 18 . 1 1 2 2 VAL HG11 H 1 0.879 0.002 . 2 . . . B 2 VAL HG11 . 19382 1 19 . 1 1 2 2 VAL HG12 H 1 0.879 0.002 . 2 . . . B 2 VAL HG12 . 19382 1 20 . 1 1 2 2 VAL HG21 H 1 0.869 0.006 . 2 . . . B 2 VAL HG21 . 19382 1 21 . 1 1 2 2 VAL HG13 H 1 0.879 0.002 . 2 . . . B 2 VAL HG13 . 19382 1 22 . 1 1 2 2 VAL HG22 H 1 0.869 0.006 . 2 . . . B 2 VAL HG22 . 19382 1 23 . 1 1 2 2 VAL HG23 H 1 0.869 0.006 . 2 . . . B 2 VAL HG23 . 19382 1 24 . 1 1 2 2 VAL CA C 13 61.832 0.017 . 1 . . . B 2 VAL CA . 19382 1 25 . 1 1 2 2 VAL CB C 13 33.321 0.005 . 1 . . . B 2 VAL CB . 19382 1 26 . 1 1 2 2 VAL CG1 C 13 21.483 0.014 . 2 . . . B 2 VAL CG1 . 19382 1 27 . 1 1 2 2 VAL CG2 C 13 20.364 0.019 . 2 . . . B 2 VAL CG2 . 19382 1 28 . 1 1 2 2 VAL N N 15 120.711 0.001 . 1 . . . B 2 VAL N . 19382 1 29 . 1 1 3 3 GLU H H 1 8.589 0.005 . 1 . . . B 3 GLU H . 19382 1 30 . 1 1 3 3 GLU HA H 1 4.432 0.005 . 1 . . . B 3 GLU HA . 19382 1 31 . 1 1 3 3 GLU HB2 H 1 1.928 0.008 . 2 . . . B 3 GLU HB2 . 19382 1 32 . 1 1 3 3 GLU HB3 H 1 2.051 0.007 . 2 . . . B 3 GLU HB3 . 19382 1 33 . 1 1 3 3 GLU HG2 H 1 2.288 0.002 . 2 . . . B 3 GLU HG2 . 19382 1 34 . 1 1 3 3 GLU HG3 H 1 2.288 0.002 . 2 . . . B 3 GLU HG3 . 19382 1 35 . 1 1 3 3 GLU CA C 13 55.660 0.072 . 1 . . . B 3 GLU CA . 19382 1 36 . 1 1 3 3 GLU CB C 13 31.558 0.028 . 1 . . . B 3 GLU CB . 19382 1 37 . 1 1 3 3 GLU CG C 13 36.312 0.060 . 1 . . . B 3 GLU CG . 19382 1 38 . 1 1 3 3 GLU N N 15 124.381 0.005 . 1 . . . B 3 GLU N . 19382 1 39 . 1 1 4 4 ALA H H 1 8.442 0.004 . 1 . . . B 4 ALA H . 19382 1 40 . 1 1 4 4 ALA HA H 1 4.284 0.001 . 1 . . . B 4 ALA HA . 19382 1 41 . 1 1 4 4 ALA HB1 H 1 1.502 0.002 . 1 . . . B 4 ALA HB1 . 19382 1 42 . 1 1 4 4 ALA HB2 H 1 1.502 0.002 . 1 . . . B 4 ALA HB2 . 19382 1 43 . 1 1 4 4 ALA HB3 H 1 1.502 0.002 . 1 . . . B 4 ALA HB3 . 19382 1 44 . 1 1 4 4 ALA CA C 13 53.537 0.000 . 1 . . . B 4 ALA CA . 19382 1 45 . 1 1 4 4 ALA CB C 13 19.535 0.003 . 1 . . . B 4 ALA CB . 19382 1 46 . 1 1 4 4 ALA N N 15 124.910 0.000 . 1 . . . B 4 ALA N . 19382 1 47 . 1 1 5 5 ASP H H 1 8.363 0.000 . 1 . . . B 5 ASP H . 19382 1 48 . 1 1 5 5 ASP HA H 1 4.643 0.001 . 1 . . . B 5 ASP HA . 19382 1 49 . 1 1 5 5 ASP HB2 H 1 2.421 0.011 . 2 . . . B 5 ASP HB2 . 19382 1 50 . 1 1 5 5 ASP HB3 H 1 2.663 0.002 . 2 . . . B 5 ASP HB3 . 19382 1 51 . 1 1 5 5 ASP CB C 13 42.674 0.018 . 1 . . . B 5 ASP CB . 19382 1 52 . 1 1 5 5 ASP N N 15 119.622 0.003 . 1 . . . B 5 ASP N . 19382 1 53 . 1 1 7 7 PRO HA H 1 4.651 0.002 . 1 . . . B 7 PRO HA . 19382 1 54 . 1 1 7 7 PRO HB2 H 1 1.977 0.007 . 2 . . . B 7 PRO HB2 . 19382 1 55 . 1 1 7 7 PRO HB3 H 1 2.453 0.003 . 2 . . . B 7 PRO HB3 . 19382 1 56 . 1 1 7 7 PRO HG2 H 1 2.178 0.003 . 2 . . . B 7 PRO HG2 . 19382 1 57 . 1 1 7 7 PRO HG3 H 1 2.178 0.003 . 2 . . . B 7 PRO HG3 . 19382 1 58 . 1 1 7 7 PRO HD2 H 1 3.758 0.003 . 2 . . . B 7 PRO HD2 . 19382 1 59 . 1 1 7 7 PRO HD3 H 1 3.992 0.007 . 2 . . . B 7 PRO HD3 . 19382 1 60 . 1 1 7 7 PRO CA C 13 64.065 0.049 . 1 . . . B 7 PRO CA . 19382 1 61 . 1 1 7 7 PRO CB C 13 31.924 0.055 . 1 . . . B 7 PRO CB . 19382 1 62 . 1 1 7 7 PRO CG C 13 27.822 0.004 . 1 . . . B 7 PRO CG . 19382 1 63 . 1 1 7 7 PRO CD C 13 51.060 0.014 . 1 . . . B 7 PRO CD . 19382 1 64 . 1 1 8 8 GLY H H 1 8.879 0.005 . 1 . . . B 8 GLY H . 19382 1 65 . 1 1 8 8 GLY HA2 H 1 3.828 0.008 . 2 . . . B 8 GLY HA2 . 19382 1 66 . 1 1 8 8 GLY HA3 H 1 4.196 0.009 . 2 . . . B 8 GLY HA3 . 19382 1 67 . 1 1 8 8 GLY CA C 13 45.373 0.027 . 1 . . . B 8 GLY CA . 19382 1 68 . 1 1 8 8 GLY N N 15 110.020 0.002 . 1 . . . B 8 GLY N . 19382 1 69 . 1 1 9 9 LYS H H 1 8.011 0.004 . 1 . . . B 9 LYS H . 19382 1 70 . 1 1 9 9 LYS HA H 1 5.137 0.006 . 1 . . . B 9 LYS HA . 19382 1 71 . 1 1 9 9 LYS HB2 H 1 1.644 0.010 . 2 . . . B 9 LYS HB2 . 19382 1 72 . 1 1 9 9 LYS HB3 H 1 2.160 0.004 . 2 . . . B 9 LYS HB3 . 19382 1 73 . 1 1 9 9 LYS HG2 H 1 1.246 0.002 . 2 . . . B 9 LYS HG2 . 19382 1 74 . 1 1 9 9 LYS HG3 H 1 1.515 0.009 . 2 . . . B 9 LYS HG3 . 19382 1 75 . 1 1 9 9 LYS HD2 H 1 1.691 0.015 . 2 . . . B 9 LYS HD2 . 19382 1 76 . 1 1 9 9 LYS HD3 H 1 1.691 0.015 . 2 . . . B 9 LYS HD3 . 19382 1 77 . 1 1 9 9 LYS HE2 H 1 2.681 0.006 . 2 . . . B 9 LYS HE2 . 19382 1 78 . 1 1 9 9 LYS HE3 H 1 2.808 0.009 . 2 . . . B 9 LYS HE3 . 19382 1 79 . 1 1 9 9 LYS CA C 13 56.028 0.022 . 1 . . . B 9 LYS CA . 19382 1 80 . 1 1 9 9 LYS CB C 13 35.188 0.021 . 1 . . . B 9 LYS CB . 19382 1 81 . 1 1 9 9 LYS CG C 13 24.948 0.017 . 1 . . . B 9 LYS CG . 19382 1 82 . 1 1 9 9 LYS CD C 13 30.615 0.008 . 1 . . . B 9 LYS CD . 19382 1 83 . 1 1 9 9 LYS CE C 13 41.518 0.032 . 1 . . . B 9 LYS CE . 19382 1 84 . 1 1 9 9 LYS N N 15 121.894 0.007 . 1 . . . B 9 LYS N . 19382 1 85 . 1 1 10 10 LEU H H 1 9.536 0.004 . 1 . . . B 10 LEU H . 19382 1 86 . 1 1 10 10 LEU HA H 1 4.980 0.005 . 1 . . . B 10 LEU HA . 19382 1 87 . 1 1 10 10 LEU HB2 H 1 1.258 0.004 . 2 . . . B 10 LEU HB2 . 19382 1 88 . 1 1 10 10 LEU HB3 H 1 1.764 0.002 . 2 . . . B 10 LEU HB3 . 19382 1 89 . 1 1 10 10 LEU HG H 1 1.890 0.002 . 1 . . . B 10 LEU HG . 19382 1 90 . 1 1 10 10 LEU HD11 H 1 0.971 0.005 . 2 . . . B 10 LEU HD11 . 19382 1 91 . 1 1 10 10 LEU HD12 H 1 0.971 0.005 . 2 . . . B 10 LEU HD12 . 19382 1 92 . 1 1 10 10 LEU HD13 H 1 0.971 0.005 . 2 . . . B 10 LEU HD13 . 19382 1 93 . 1 1 10 10 LEU HD21 H 1 0.769 0.003 . 2 . . . B 10 LEU HD21 . 19382 1 94 . 1 1 10 10 LEU HD22 H 1 0.769 0.003 . 2 . . . B 10 LEU HD22 . 19382 1 95 . 1 1 10 10 LEU HD23 H 1 0.769 0.003 . 2 . . . B 10 LEU HD23 . 19382 1 96 . 1 1 10 10 LEU CA C 13 53.494 0.067 . 1 . . . B 10 LEU CA . 19382 1 97 . 1 1 10 10 LEU CB C 13 44.494 0.025 . 1 . . . B 10 LEU CB . 19382 1 98 . 1 1 10 10 LEU CG C 13 26.541 0.011 . 1 . . . B 10 LEU CG . 19382 1 99 . 1 1 10 10 LEU CD1 C 13 26.596 0.010 . 2 . . . B 10 LEU CD1 . 19382 1 100 . 1 1 10 10 LEU CD2 C 13 22.649 0.037 . 2 . . . B 10 LEU CD2 . 19382 1 101 . 1 1 10 10 LEU N N 15 127.289 0.004 . 1 . . . B 10 LEU N . 19382 1 102 . 1 1 11 11 PHE H H 1 9.386 0.006 . 1 . . . B 11 PHE H . 19382 1 103 . 1 1 11 11 PHE HA H 1 4.418 0.013 . 1 . . . B 11 PHE HA . 19382 1 104 . 1 1 11 11 PHE HB2 H 1 2.693 0.011 . 2 . . . B 11 PHE HB2 . 19382 1 105 . 1 1 11 11 PHE HB3 H 1 2.693 0.011 . 2 . . . B 11 PHE HB3 . 19382 1 106 . 1 1 11 11 PHE HD1 H 1 6.348 0.015 . 3 . . . B 11 PHE HD1 . 19382 1 107 . 1 1 11 11 PHE HD2 H 1 6.348 0.015 . 3 . . . B 11 PHE HD2 . 19382 1 108 . 1 1 11 11 PHE HE1 H 1 6.648 0.004 . 3 . . . B 11 PHE HE1 . 19382 1 109 . 1 1 11 11 PHE HE2 H 1 6.648 0.004 . 3 . . . B 11 PHE HE2 . 19382 1 110 . 1 1 11 11 PHE HZ H 1 6.823 0.001 . 1 . . . B 11 PHE HZ . 19382 1 111 . 1 1 11 11 PHE CA C 13 57.168 0.041 . 1 . . . B 11 PHE CA . 19382 1 112 . 1 1 11 11 PHE CB C 13 41.206 0.036 . 1 . . . B 11 PHE CB . 19382 1 113 . 1 1 11 11 PHE CD1 C 13 130.718 0.011 . 3 . . . B 11 PHE CD1 . 19382 1 114 . 1 1 11 11 PHE CE1 C 13 130.738 0.016 . 3 . . . B 11 PHE CE1 . 19382 1 115 . 1 1 11 11 PHE CZ C 13 128.707 0.005 . 1 . . . B 11 PHE CZ . 19382 1 116 . 1 1 11 11 PHE N N 15 123.068 0.031 . 1 . . . B 11 PHE N . 19382 1 117 . 1 1 12 12 ILE H H 1 7.949 0.019 . 1 . . . B 12 ILE H . 19382 1 118 . 1 1 12 12 ILE HA H 1 4.813 0.005 . 1 . . . B 12 ILE HA . 19382 1 119 . 1 1 12 12 ILE HB H 1 1.372 0.005 . 1 . . . B 12 ILE HB . 19382 1 120 . 1 1 12 12 ILE HG12 H 1 0.912 0.011 . 2 . . . B 12 ILE HG12 . 19382 1 121 . 1 1 12 12 ILE HG21 H 1 0.736 0.011 . 1 . . . B 12 ILE HG21 . 19382 1 122 . 1 1 12 12 ILE HG13 H 1 0.985 0.002 . 2 . . . B 12 ILE HG13 . 19382 1 123 . 1 1 12 12 ILE HG22 H 1 0.736 0.011 . 1 . . . B 12 ILE HG22 . 19382 1 124 . 1 1 12 12 ILE HG23 H 1 0.736 0.011 . 1 . . . B 12 ILE HG23 . 19382 1 125 . 1 1 12 12 ILE HD11 H 1 0.187 0.004 . 1 . . . B 12 ILE HD11 . 19382 1 126 . 1 1 12 12 ILE HD12 H 1 0.187 0.004 . 1 . . . B 12 ILE HD12 . 19382 1 127 . 1 1 12 12 ILE HD13 H 1 0.187 0.004 . 1 . . . B 12 ILE HD13 . 19382 1 128 . 1 1 12 12 ILE CB C 13 38.791 0.016 . 1 . . . B 12 ILE CB . 19382 1 129 . 1 1 12 12 ILE CG1 C 13 28.227 0.018 . 1 . . . B 12 ILE CG1 . 19382 1 130 . 1 1 12 12 ILE CG2 C 13 19.689 0.012 . 1 . . . B 12 ILE CG2 . 19382 1 131 . 1 1 12 12 ILE CD1 C 13 14.505 0.006 . 1 . . . B 12 ILE CD1 . 19382 1 132 . 1 1 12 12 ILE N N 15 127.476 0.014 . 1 . . . B 12 ILE N . 19382 1 133 . 1 1 13 13 GLY H H 1 8.939 0.011 . 1 . . . B 13 GLY H . 19382 1 134 . 1 1 13 13 GLY HA2 H 1 3.541 0.013 . 2 . . . B 13 GLY HA2 . 19382 1 135 . 1 1 13 13 GLY HA3 H 1 4.614 0.016 . 2 . . . B 13 GLY HA3 . 19382 1 136 . 1 1 13 13 GLY CA C 13 43.750 0.014 . 1 . . . B 13 GLY CA . 19382 1 137 . 1 1 13 13 GLY N N 15 110.661 0.007 . 1 . . . B 13 GLY N . 19382 1 138 . 1 1 14 14 GLY H H 1 8.126 0.008 . 1 . . . B 14 GLY H . 19382 1 139 . 1 1 14 14 GLY HA2 H 1 3.813 0.006 . 2 . . . B 14 GLY HA2 . 19382 1 140 . 1 1 14 14 GLY HA3 H 1 4.250 0.009 . 2 . . . B 14 GLY HA3 . 19382 1 141 . 1 1 14 14 GLY CA C 13 45.776 0.057 . 1 . . . B 14 GLY CA . 19382 1 142 . 1 1 14 14 GLY N N 15 107.213 0.002 . 1 . . . B 14 GLY N . 19382 1 143 . 1 1 15 15 LEU H H 1 7.621 0.002 . 1 . . . B 15 LEU H . 19382 1 144 . 1 1 15 15 LEU HA H 1 4.057 0.004 . 1 . . . B 15 LEU HA . 19382 1 145 . 1 1 15 15 LEU HB2 H 1 1.095 0.005 . 2 . . . B 15 LEU HB2 . 19382 1 146 . 1 1 15 15 LEU HB3 H 1 1.416 0.005 . 2 . . . B 15 LEU HB3 . 19382 1 147 . 1 1 15 15 LEU HG H 1 1.246 0.006 . 1 . . . B 15 LEU HG . 19382 1 148 . 1 1 15 15 LEU HD11 H 1 0.433 0.004 . 2 . . . B 15 LEU HD11 . 19382 1 149 . 1 1 15 15 LEU HD12 H 1 0.433 0.004 . 2 . . . B 15 LEU HD12 . 19382 1 150 . 1 1 15 15 LEU HD13 H 1 0.433 0.004 . 2 . . . B 15 LEU HD13 . 19382 1 151 . 1 1 15 15 LEU HD21 H 1 0.846 0.004 . 2 . . . B 15 LEU HD21 . 19382 1 152 . 1 1 15 15 LEU HD22 H 1 0.846 0.004 . 2 . . . B 15 LEU HD22 . 19382 1 153 . 1 1 15 15 LEU HD23 H 1 0.846 0.004 . 2 . . . B 15 LEU HD23 . 19382 1 154 . 1 1 15 15 LEU CA C 13 54.639 0.005 . 1 . . . B 15 LEU CA . 19382 1 155 . 1 1 15 15 LEU CB C 13 43.295 0.009 . 1 . . . B 15 LEU CB . 19382 1 156 . 1 1 15 15 LEU CG C 13 27.021 0.042 . 1 . . . B 15 LEU CG . 19382 1 157 . 1 1 15 15 LEU CD1 C 13 26.529 0.018 . 2 . . . B 15 LEU CD1 . 19382 1 158 . 1 1 15 15 LEU CD2 C 13 24.569 0.013 . 2 . . . B 15 LEU CD2 . 19382 1 159 . 1 1 15 15 LEU N N 15 115.288 0.002 . 1 . . . B 15 LEU N . 19382 1 160 . 1 1 16 16 ASN H H 1 9.597 0.003 . 1 . . . B 16 ASN H . 19382 1 161 . 1 1 16 16 ASN HA H 1 4.573 0.001 . 1 . . . B 16 ASN HA . 19382 1 162 . 1 1 16 16 ASN HB2 H 1 2.681 0.002 . 2 . . . B 16 ASN HB2 . 19382 1 163 . 1 1 16 16 ASN HB3 H 1 3.501 0.003 . 2 . . . B 16 ASN HB3 . 19382 1 164 . 1 1 16 16 ASN HD21 H 1 7.178 0.002 . 2 . . . B 16 ASN HD21 . 19382 1 165 . 1 1 16 16 ASN HD22 H 1 8.178 0.002 . 2 . . . B 16 ASN HD22 . 19382 1 166 . 1 1 16 16 ASN CB C 13 38.631 0.010 . 1 . . . B 16 ASN CB . 19382 1 167 . 1 1 16 16 ASN N N 15 120.674 0.003 . 1 . . . B 16 ASN N . 19382 1 168 . 1 1 16 16 ASN ND2 N 15 113.661 0.005 . 1 . . . B 16 ASN ND2 . 19382 1 169 . 1 1 17 17 THR H H 1 8.807 0.025 . 1 . . . B 17 THR H . 19382 1 170 . 1 1 17 17 THR HA H 1 3.900 0.003 . 1 . . . B 17 THR HA . 19382 1 171 . 1 1 17 17 THR HB H 1 4.464 0.003 . 1 . . . B 17 THR HB . 19382 1 172 . 1 1 17 17 THR HG21 H 1 1.345 0.001 . 1 . . . B 17 THR HG21 . 19382 1 173 . 1 1 17 17 THR HG22 H 1 1.345 0.001 . 1 . . . B 17 THR HG22 . 19382 1 174 . 1 1 17 17 THR HG23 H 1 1.345 0.001 . 1 . . . B 17 THR HG23 . 19382 1 175 . 1 1 17 17 THR CA C 13 65.542 0.016 . 1 . . . B 17 THR CA . 19382 1 176 . 1 1 17 17 THR CB C 13 68.594 0.023 . 1 . . . B 17 THR CB . 19382 1 177 . 1 1 17 17 THR CG2 C 13 22.400 0.006 . 1 . . . B 17 THR CG2 . 19382 1 178 . 1 1 17 17 THR N N 15 122.538 0.010 . 1 . . . B 17 THR N . 19382 1 179 . 1 1 18 18 GLU H H 1 8.757 0.002 . 1 . . . B 18 GLU H . 19382 1 180 . 1 1 18 18 GLU HA H 1 4.361 0.004 . 1 . . . B 18 GLU HA . 19382 1 181 . 1 1 18 18 GLU HB2 H 1 1.781 0.002 . 2 . . . B 18 GLU HB2 . 19382 1 182 . 1 1 18 18 GLU HB3 H 1 2.222 0.009 . 2 . . . B 18 GLU HB3 . 19382 1 183 . 1 1 18 18 GLU HG2 H 1 2.282 0.004 . 2 . . . B 18 GLU HG2 . 19382 1 184 . 1 1 18 18 GLU HG3 H 1 2.386 0.002 . 2 . . . B 18 GLU HG3 . 19382 1 185 . 1 1 18 18 GLU CA C 13 56.413 0.009 . 1 . . . B 18 GLU CA . 19382 1 186 . 1 1 18 18 GLU CB C 13 29.914 0.010 . 1 . . . B 18 GLU CB . 19382 1 187 . 1 1 18 18 GLU CG C 13 36.527 0.054 . 1 . . . B 18 GLU CG . 19382 1 188 . 1 1 18 18 GLU N N 15 118.149 0.001 . 1 . . . B 18 GLU N . 19382 1 189 . 1 1 19 19 THR H H 1 7.627 0.003 . 1 . . . B 19 THR H . 19382 1 190 . 1 1 19 19 THR HA H 1 4.088 0.001 . 1 . . . B 19 THR HA . 19382 1 191 . 1 1 19 19 THR HB H 1 3.990 0.001 . 1 . . . B 19 THR HB . 19382 1 192 . 1 1 19 19 THR HG21 H 1 1.275 0.002 . 1 . . . B 19 THR HG21 . 19382 1 193 . 1 1 19 19 THR HG22 H 1 1.275 0.002 . 1 . . . B 19 THR HG22 . 19382 1 194 . 1 1 19 19 THR HG23 H 1 1.275 0.002 . 1 . . . B 19 THR HG23 . 19382 1 195 . 1 1 19 19 THR CA C 13 64.959 0.013 . 1 . . . B 19 THR CA . 19382 1 196 . 1 1 19 19 THR CB C 13 68.536 0.000 . 1 . . . B 19 THR CB . 19382 1 197 . 1 1 19 19 THR CG2 C 13 22.852 0.012 . 1 . . . B 19 THR CG2 . 19382 1 198 . 1 1 19 19 THR N N 15 119.146 0.001 . 1 . . . B 19 THR N . 19382 1 199 . 1 1 20 20 ASN H H 1 8.076 0.004 . 1 . . . B 20 ASN H . 19382 1 200 . 1 1 20 20 ASN HA H 1 4.916 0.003 . 1 . . . B 20 ASN HA . 19382 1 201 . 1 1 20 20 ASN HB2 H 1 2.948 0.002 . 2 . . . B 20 ASN HB2 . 19382 1 202 . 1 1 20 20 ASN HB3 H 1 3.358 0.001 . 2 . . . B 20 ASN HB3 . 19382 1 203 . 1 1 20 20 ASN HD21 H 1 6.850 0.001 . 2 . . . B 20 ASN HD21 . 19382 1 204 . 1 1 20 20 ASN HD22 H 1 7.762 0.001 . 2 . . . B 20 ASN HD22 . 19382 1 205 . 1 1 20 20 ASN CA C 13 50.998 0.027 . 1 . . . B 20 ASN CA . 19382 1 206 . 1 1 20 20 ASN CB C 13 40.354 0.006 . 1 . . . B 20 ASN CB . 19382 1 207 . 1 1 20 20 ASN N N 15 126.361 0.012 . 1 . . . B 20 ASN N . 19382 1 208 . 1 1 20 20 ASN ND2 N 15 111.799 0.008 . 1 . . . B 20 ASN ND2 . 19382 1 209 . 1 1 21 21 GLU H H 1 10.233 0.002 . 1 . . . B 21 GLU H . 19382 1 210 . 1 1 21 21 GLU HA H 1 3.721 0.002 . 1 . . . B 21 GLU HA . 19382 1 211 . 1 1 21 21 GLU HB2 H 1 2.034 0.003 . 2 . . . B 21 GLU HB2 . 19382 1 212 . 1 1 21 21 GLU HB3 H 1 2.123 0.006 . 2 . . . B 21 GLU HB3 . 19382 1 213 . 1 1 21 21 GLU HG2 H 1 2.156 0.011 . 2 . . . B 21 GLU HG2 . 19382 1 214 . 1 1 21 21 GLU HG3 H 1 2.666 0.002 . 2 . . . B 21 GLU HG3 . 19382 1 215 . 1 1 21 21 GLU CA C 13 61.820 0.008 . 1 . . . B 21 GLU CA . 19382 1 216 . 1 1 21 21 GLU CB C 13 28.871 0.005 . 1 . . . B 21 GLU CB . 19382 1 217 . 1 1 21 21 GLU CG C 13 37.855 0.010 . 1 . . . B 21 GLU CG . 19382 1 218 . 1 1 21 21 GLU N N 15 118.317 0.003 . 1 . . . B 21 GLU N . 19382 1 219 . 1 1 22 22 LYS H H 1 7.920 0.004 . 1 . . . B 22 LYS H . 19382 1 220 . 1 1 22 22 LYS HA H 1 4.164 0.003 . 1 . . . B 22 LYS HA . 19382 1 221 . 1 1 22 22 LYS HB2 H 1 1.894 0.009 . 2 . . . B 22 LYS HB2 . 19382 1 222 . 1 1 22 22 LYS HB3 H 1 1.958 0.007 . 2 . . . B 22 LYS HB3 . 19382 1 223 . 1 1 22 22 LYS HG2 H 1 1.544 0.004 . 2 . . . B 22 LYS HG2 . 19382 1 224 . 1 1 22 22 LYS HG3 H 1 1.635 0.005 . 2 . . . B 22 LYS HG3 . 19382 1 225 . 1 1 22 22 LYS HD2 H 1 1.767 0.004 . 2 . . . B 22 LYS HD2 . 19382 1 226 . 1 1 22 22 LYS HD3 H 1 1.767 0.004 . 2 . . . B 22 LYS HD3 . 19382 1 227 . 1 1 22 22 LYS HE2 H 1 3.064 0.011 . 2 . . . B 22 LYS HE2 . 19382 1 228 . 1 1 22 22 LYS HE3 H 1 3.064 0.011 . 2 . . . B 22 LYS HE3 . 19382 1 229 . 1 1 22 22 LYS CA C 13 58.795 0.032 . 1 . . . B 22 LYS CA . 19382 1 230 . 1 1 22 22 LYS CB C 13 31.727 0.059 . 1 . . . B 22 LYS CB . 19382 1 231 . 1 1 22 22 LYS CG C 13 24.998 0.025 . 1 . . . B 22 LYS CG . 19382 1 232 . 1 1 22 22 LYS CD C 13 28.764 0.070 . 1 . . . B 22 LYS CD . 19382 1 233 . 1 1 22 22 LYS CE C 13 42.258 0.025 . 1 . . . B 22 LYS CE . 19382 1 234 . 1 1 22 22 LYS N N 15 118.930 0.003 . 1 . . . B 22 LYS N . 19382 1 235 . 1 1 23 23 ALA H H 1 7.915 0.005 . 1 . . . B 23 ALA H . 19382 1 236 . 1 1 23 23 ALA HA H 1 4.323 0.000 . 1 . . . B 23 ALA HA . 19382 1 237 . 1 1 23 23 ALA HB1 H 1 1.683 0.001 . 1 . . . B 23 ALA HB1 . 19382 1 238 . 1 1 23 23 ALA HB2 H 1 1.683 0.001 . 1 . . . B 23 ALA HB2 . 19382 1 239 . 1 1 23 23 ALA HB3 H 1 1.683 0.001 . 1 . . . B 23 ALA HB3 . 19382 1 240 . 1 1 23 23 ALA CA C 13 55.021 0.000 . 1 . . . B 23 ALA CA . 19382 1 241 . 1 1 23 23 ALA CB C 13 19.024 0.005 . 1 . . . B 23 ALA CB . 19382 1 242 . 1 1 23 23 ALA N N 15 123.201 0.001 . 1 . . . B 23 ALA N . 19382 1 243 . 1 1 24 24 LEU H H 1 7.760 0.005 . 1 . . . B 24 LEU H . 19382 1 244 . 1 1 24 24 LEU HA H 1 4.167 0.001 . 1 . . . B 24 LEU HA . 19382 1 245 . 1 1 24 24 LEU HB2 H 1 1.190 0.003 . 2 . . . B 24 LEU HB2 . 19382 1 246 . 1 1 24 24 LEU HB3 H 1 2.079 0.001 . 2 . . . B 24 LEU HB3 . 19382 1 247 . 1 1 24 24 LEU HG H 1 1.754 0.002 . 1 . . . B 24 LEU HG . 19382 1 248 . 1 1 24 24 LEU HD11 H 1 0.543 0.001 . 2 . . . B 24 LEU HD11 . 19382 1 249 . 1 1 24 24 LEU HD12 H 1 0.543 0.001 . 2 . . . B 24 LEU HD12 . 19382 1 250 . 1 1 24 24 LEU HD13 H 1 0.543 0.001 . 2 . . . B 24 LEU HD13 . 19382 1 251 . 1 1 24 24 LEU HD21 H 1 0.777 0.011 . 2 . . . B 24 LEU HD21 . 19382 1 252 . 1 1 24 24 LEU HD22 H 1 0.777 0.011 . 2 . . . B 24 LEU HD22 . 19382 1 253 . 1 1 24 24 LEU HD23 H 1 0.777 0.011 . 2 . . . B 24 LEU HD23 . 19382 1 254 . 1 1 24 24 LEU CA C 13 58.095 0.022 . 1 . . . B 24 LEU CA . 19382 1 255 . 1 1 24 24 LEU CB C 13 42.458 0.009 . 1 . . . B 24 LEU CB . 19382 1 256 . 1 1 24 24 LEU CG C 13 26.639 0.029 . 1 . . . B 24 LEU CG . 19382 1 257 . 1 1 24 24 LEU CD1 C 13 25.922 0.021 . 2 . . . B 24 LEU CD1 . 19382 1 258 . 1 1 24 24 LEU CD2 C 13 23.559 0.016 . 2 . . . B 24 LEU CD2 . 19382 1 259 . 1 1 24 24 LEU N N 15 116.213 0.004 . 1 . . . B 24 LEU N . 19382 1 260 . 1 1 25 25 GLU H H 1 8.545 0.002 . 1 . . . B 25 GLU H . 19382 1 261 . 1 1 25 25 GLU HA H 1 3.763 0.002 . 1 . . . B 25 GLU HA . 19382 1 262 . 1 1 25 25 GLU HB2 H 1 2.191 0.004 . 2 . . . B 25 GLU HB2 . 19382 1 263 . 1 1 25 25 GLU HB3 H 1 2.200 0.003 . 2 . . . B 25 GLU HB3 . 19382 1 264 . 1 1 25 25 GLU HG2 H 1 2.215 0.011 . 2 . . . B 25 GLU HG2 . 19382 1 265 . 1 1 25 25 GLU HG3 H 1 2.371 0.000 . 2 . . . B 25 GLU HG3 . 19382 1 266 . 1 1 25 25 GLU CA C 13 60.215 0.005 . 1 . . . B 25 GLU CA . 19382 1 267 . 1 1 25 25 GLU CB C 13 29.849 0.011 . 1 . . . B 25 GLU CB . 19382 1 268 . 1 1 25 25 GLU CG C 13 36.677 0.016 . 1 . . . B 25 GLU CG . 19382 1 269 . 1 1 25 25 GLU N N 15 119.637 0.001 . 1 . . . B 25 GLU N . 19382 1 270 . 1 1 26 26 ALA H H 1 7.975 0.000 . 1 . . . B 26 ALA H . 19382 1 271 . 1 1 26 26 ALA HA H 1 4.198 0.001 . 1 . . . B 26 ALA HA . 19382 1 272 . 1 1 26 26 ALA HB1 H 1 1.614 0.001 . 1 . . . B 26 ALA HB1 . 19382 1 273 . 1 1 26 26 ALA HB2 H 1 1.614 0.001 . 1 . . . B 26 ALA HB2 . 19382 1 274 . 1 1 26 26 ALA HB3 H 1 1.614 0.001 . 1 . . . B 26 ALA HB3 . 19382 1 275 . 1 1 26 26 ALA CA C 13 55.081 0.002 . 1 . . . B 26 ALA CA . 19382 1 276 . 1 1 26 26 ALA CB C 13 18.419 0.001 . 1 . . . B 26 ALA CB . 19382 1 277 . 1 1 26 26 ALA N N 15 121.001 0.003 . 1 . . . B 26 ALA N . 19382 1 278 . 1 1 27 27 VAL H H 1 7.817 0.001 . 1 . . . B 27 VAL H . 19382 1 279 . 1 1 27 27 VAL HA H 1 3.943 0.002 . 1 . . . B 27 VAL HA . 19382 1 280 . 1 1 27 27 VAL HB H 1 2.051 0.002 . 1 . . . B 27 VAL HB . 19382 1 281 . 1 1 27 27 VAL HG11 H 1 1.114 0.002 . 2 . . . B 27 VAL HG11 . 19382 1 282 . 1 1 27 27 VAL HG12 H 1 1.114 0.002 . 2 . . . B 27 VAL HG12 . 19382 1 283 . 1 1 27 27 VAL HG21 H 1 0.712 0.004 . 2 . . . B 27 VAL HG21 . 19382 1 284 . 1 1 27 27 VAL HG13 H 1 1.114 0.002 . 2 . . . B 27 VAL HG13 . 19382 1 285 . 1 1 27 27 VAL HG22 H 1 0.712 0.004 . 2 . . . B 27 VAL HG22 . 19382 1 286 . 1 1 27 27 VAL HG23 H 1 0.712 0.004 . 2 . . . B 27 VAL HG23 . 19382 1 287 . 1 1 27 27 VAL CA C 13 65.247 0.006 . 1 . . . B 27 VAL CA . 19382 1 288 . 1 1 27 27 VAL CB C 13 32.754 0.004 . 1 . . . B 27 VAL CB . 19382 1 289 . 1 1 27 27 VAL CG1 C 13 22.471 0.015 . 2 . . . B 27 VAL CG1 . 19382 1 290 . 1 1 27 27 VAL CG2 C 13 20.955 0.000 . 2 . . . B 27 VAL CG2 . 19382 1 291 . 1 1 27 27 VAL N N 15 115.732 0.001 . 1 . . . B 27 VAL N . 19382 1 292 . 1 1 28 28 PHE H H 1 8.607 0.003 . 1 . . . B 28 PHE H . 19382 1 293 . 1 1 28 28 PHE HA H 1 4.642 0.001 . 1 . . . B 28 PHE HA . 19382 1 294 . 1 1 28 28 PHE HB2 H 1 3.072 0.001 . 2 . . . B 28 PHE HB2 . 19382 1 295 . 1 1 28 28 PHE HB3 H 1 3.378 0.006 . 2 . . . B 28 PHE HB3 . 19382 1 296 . 1 1 28 28 PHE HD1 H 1 7.632 0.008 . 3 . . . B 28 PHE HD1 . 19382 1 297 . 1 1 28 28 PHE HD2 H 1 7.632 0.008 . 3 . . . B 28 PHE HD2 . 19382 1 298 . 1 1 28 28 PHE HE1 H 1 6.999 0.007 . 3 . . . B 28 PHE HE1 . 19382 1 299 . 1 1 28 28 PHE HE2 H 1 6.999 0.007 . 3 . . . B 28 PHE HE2 . 19382 1 300 . 1 1 28 28 PHE HZ H 1 7.053 0.002 . 1 . . . B 28 PHE HZ . 19382 1 301 . 1 1 28 28 PHE CA C 13 62.702 0.046 . 1 . . . B 28 PHE CA . 19382 1 302 . 1 1 28 28 PHE CB C 13 38.284 0.026 . 1 . . . B 28 PHE CB . 19382 1 303 . 1 1 28 28 PHE CD1 C 13 131.370 0.007 . 3 . . . B 28 PHE CD1 . 19382 1 304 . 1 1 28 28 PHE CE1 C 13 130.837 0.032 . 3 . . . B 28 PHE CE1 . 19382 1 305 . 1 1 28 28 PHE CZ C 13 129.109 0.000 . 1 . . . B 28 PHE CZ . 19382 1 306 . 1 1 28 28 PHE N N 15 115.329 0.006 . 1 . . . B 28 PHE N . 19382 1 307 . 1 1 29 29 GLY H H 1 8.425 0.000 . 1 . . . B 29 GLY H . 19382 1 308 . 1 1 29 29 GLY HA2 H 1 4.122 0.001 . 2 . . . B 29 GLY HA2 . 19382 1 309 . 1 1 29 29 GLY HA3 H 1 4.481 0.001 . 2 . . . B 29 GLY HA3 . 19382 1 310 . 1 1 29 29 GLY CA C 13 46.405 0.004 . 1 . . . B 29 GLY CA . 19382 1 311 . 1 1 29 29 GLY N N 15 108.306 0.001 . 1 . . . B 29 GLY N . 19382 1 312 . 1 1 30 30 LYS H H 1 6.970 0.005 . 1 . . . B 30 LYS H . 19382 1 313 . 1 1 30 30 LYS HA H 1 4.096 0.002 . 1 . . . B 30 LYS HA . 19382 1 314 . 1 1 30 30 LYS HB2 H 1 1.450 0.002 . 2 . . . B 30 LYS HB2 . 19382 1 315 . 1 1 30 30 LYS HB3 H 1 1.600 0.001 . 2 . . . B 30 LYS HB3 . 19382 1 316 . 1 1 30 30 LYS HG2 H 1 1.000 0.002 . 2 . . . B 30 LYS HG2 . 19382 1 317 . 1 1 30 30 LYS HG3 H 1 1.142 0.002 . 2 . . . B 30 LYS HG3 . 19382 1 318 . 1 1 30 30 LYS HD2 H 1 1.539 0.007 . 2 . . . B 30 LYS HD2 . 19382 1 319 . 1 1 30 30 LYS HD3 H 1 1.539 0.007 . 2 . . . B 30 LYS HD3 . 19382 1 320 . 1 1 30 30 LYS HE2 H 1 2.905 0.005 . 2 . . . B 30 LYS HE2 . 19382 1 321 . 1 1 30 30 LYS HE3 H 1 2.905 0.005 . 2 . . . B 30 LYS HE3 . 19382 1 322 . 1 1 30 30 LYS CA C 13 57.893 0.022 . 1 . . . B 30 LYS CA . 19382 1 323 . 1 1 30 30 LYS CB C 13 31.996 0.017 . 1 . . . B 30 LYS CB . 19382 1 324 . 1 1 30 30 LYS CG C 13 23.693 0.019 . 1 . . . B 30 LYS CG . 19382 1 325 . 1 1 30 30 LYS CD C 13 29.003 0.050 . 1 . . . B 30 LYS CD . 19382 1 326 . 1 1 30 30 LYS CE C 13 42.061 0.048 . 1 . . . B 30 LYS CE . 19382 1 327 . 1 1 30 30 LYS N N 15 117.374 0.008 . 1 . . . B 30 LYS N . 19382 1 328 . 1 1 31 31 TYR H H 1 7.741 0.002 . 1 . . . B 31 TYR H . 19382 1 329 . 1 1 31 31 TYR HA H 1 4.295 0.002 . 1 . . . B 31 TYR HA . 19382 1 330 . 1 1 31 31 TYR HB2 H 1 3.043 0.004 . 2 . . . B 31 TYR HB2 . 19382 1 331 . 1 1 31 31 TYR HB3 H 1 3.270 0.003 . 2 . . . B 31 TYR HB3 . 19382 1 332 . 1 1 31 31 TYR HD1 H 1 7.513 0.000 . 3 . . . B 31 TYR HD1 . 19382 1 333 . 1 1 31 31 TYR HD2 H 1 7.513 0.000 . 3 . . . B 31 TYR HD2 . 19382 1 334 . 1 1 31 31 TYR HE1 H 1 6.701 0.004 . 3 . . . B 31 TYR HE1 . 19382 1 335 . 1 1 31 31 TYR HE2 H 1 6.701 0.004 . 3 . . . B 31 TYR HE2 . 19382 1 336 . 1 1 31 31 TYR CA C 13 59.813 0.006 . 1 . . . B 31 TYR CA . 19382 1 337 . 1 1 31 31 TYR CB C 13 38.793 0.024 . 1 . . . B 31 TYR CB . 19382 1 338 . 1 1 31 31 TYR CD2 C 13 133.366 0.004 . 3 . . . B 31 TYR CD2 . 19382 1 339 . 1 1 31 31 TYR CE2 C 13 118.270 0.017 . 3 . . . B 31 TYR CE2 . 19382 1 340 . 1 1 31 31 TYR N N 15 115.689 0.006 . 1 . . . B 31 TYR N . 19382 1 341 . 1 1 32 32 GLY H H 1 7.401 0.003 . 1 . . . B 32 GLY H . 19382 1 342 . 1 1 32 32 GLY HA2 H 1 3.911 0.001 . 2 . . . B 32 GLY HA2 . 19382 1 343 . 1 1 32 32 GLY HA3 H 1 4.978 0.002 . 2 . . . B 32 GLY HA3 . 19382 1 344 . 1 1 32 32 GLY CA C 13 44.596 0.009 . 1 . . . B 32 GLY CA . 19382 1 345 . 1 1 32 32 GLY N N 15 104.475 0.000 . 1 . . . B 32 GLY N . 19382 1 346 . 1 1 33 33 ARG H H 1 8.286 0.007 . 1 . . . B 33 ARG H . 19382 1 347 . 1 1 33 33 ARG HA H 1 4.282 0.002 . 1 . . . B 33 ARG HA . 19382 1 348 . 1 1 33 33 ARG HB2 H 1 1.901 0.007 . 2 . . . B 33 ARG HB2 . 19382 1 349 . 1 1 33 33 ARG HB3 H 1 1.901 0.007 . 2 . . . B 33 ARG HB3 . 19382 1 350 . 1 1 33 33 ARG HG2 H 1 1.558 0.004 . 2 . . . B 33 ARG HG2 . 19382 1 351 . 1 1 33 33 ARG HG3 H 1 1.769 0.004 . 2 . . . B 33 ARG HG3 . 19382 1 352 . 1 1 33 33 ARG HD2 H 1 3.307 0.002 . 2 . . . B 33 ARG HD2 . 19382 1 353 . 1 1 33 33 ARG HD3 H 1 3.307 0.002 . 2 . . . B 33 ARG HD3 . 19382 1 354 . 1 1 33 33 ARG HE H 1 7.405 0.004 . 1 . . . B 33 ARG HE . 19382 1 355 . 1 1 33 33 ARG CA C 13 57.903 0.016 . 1 . . . B 33 ARG CA . 19382 1 356 . 1 1 33 33 ARG CB C 13 30.754 0.017 . 1 . . . B 33 ARG CB . 19382 1 357 . 1 1 33 33 ARG CG C 13 27.877 0.035 . 1 . . . B 33 ARG CG . 19382 1 358 . 1 1 33 33 ARG CD C 13 43.506 0.028 . 1 . . . B 33 ARG CD . 19382 1 359 . 1 1 33 33 ARG N N 15 116.936 0.004 . 1 . . . B 33 ARG N . 19382 1 360 . 1 1 33 33 ARG NE N 15 85.092 0.041 . 1 . . . B 33 ARG NE . 19382 1 361 . 1 1 34 34 ILE H H 1 8.797 0.004 . 1 . . . B 34 ILE H . 19382 1 362 . 1 1 34 34 ILE HA H 1 4.028 0.002 . 1 . . . B 34 ILE HA . 19382 1 363 . 1 1 34 34 ILE HB H 1 1.662 0.001 . 1 . . . B 34 ILE HB . 19382 1 364 . 1 1 34 34 ILE HG12 H 1 0.080 0.003 . 2 . . . B 34 ILE HG12 . 19382 1 365 . 1 1 34 34 ILE HG21 H 1 0.549 0.003 . 1 . . . B 34 ILE HG21 . 19382 1 366 . 1 1 34 34 ILE HG13 H 1 1.587 0.006 . 2 . . . B 34 ILE HG13 . 19382 1 367 . 1 1 34 34 ILE HG22 H 1 0.549 0.003 . 1 . . . B 34 ILE HG22 . 19382 1 368 . 1 1 34 34 ILE HG23 H 1 0.549 0.003 . 1 . . . B 34 ILE HG23 . 19382 1 369 . 1 1 34 34 ILE HD11 H 1 0.453 0.002 . 1 . . . B 34 ILE HD11 . 19382 1 370 . 1 1 34 34 ILE HD12 H 1 0.453 0.002 . 1 . . . B 34 ILE HD12 . 19382 1 371 . 1 1 34 34 ILE HD13 H 1 0.453 0.002 . 1 . . . B 34 ILE HD13 . 19382 1 372 . 1 1 34 34 ILE CA C 13 60.851 0.009 . 1 . . . B 34 ILE CA . 19382 1 373 . 1 1 34 34 ILE CB C 13 39.937 0.003 . 1 . . . B 34 ILE CB . 19382 1 374 . 1 1 34 34 ILE CG1 C 13 27.879 0.006 . 1 . . . B 34 ILE CG1 . 19382 1 375 . 1 1 34 34 ILE CG2 C 13 18.337 0.004 . 1 . . . B 34 ILE CG2 . 19382 1 376 . 1 1 34 34 ILE CD1 C 13 13.606 0.001 . 1 . . . B 34 ILE CD1 . 19382 1 377 . 1 1 34 34 ILE N N 15 128.703 0.002 . 1 . . . B 34 ILE N . 19382 1 378 . 1 1 35 35 VAL H H 1 8.859 0.001 . 1 . . . B 35 VAL H . 19382 1 379 . 1 1 35 35 VAL HA H 1 4.277 0.004 . 1 . . . B 35 VAL HA . 19382 1 380 . 1 1 35 35 VAL HB H 1 1.991 0.005 . 1 . . . B 35 VAL HB . 19382 1 381 . 1 1 35 35 VAL HG11 H 1 0.924 0.003 . 2 . . . B 35 VAL HG11 . 19382 1 382 . 1 1 35 35 VAL HG12 H 1 0.924 0.003 . 2 . . . B 35 VAL HG12 . 19382 1 383 . 1 1 35 35 VAL HG21 H 1 0.795 0.005 . 2 . . . B 35 VAL HG21 . 19382 1 384 . 1 1 35 35 VAL HG13 H 1 0.924 0.003 . 2 . . . B 35 VAL HG13 . 19382 1 385 . 1 1 35 35 VAL HG22 H 1 0.795 0.005 . 2 . . . B 35 VAL HG22 . 19382 1 386 . 1 1 35 35 VAL HG23 H 1 0.795 0.005 . 2 . . . B 35 VAL HG23 . 19382 1 387 . 1 1 35 35 VAL CA C 13 62.388 0.013 . 1 . . . B 35 VAL CA . 19382 1 388 . 1 1 35 35 VAL CB C 13 33.054 0.056 . 1 . . . B 35 VAL CB . 19382 1 389 . 1 1 35 35 VAL CG1 C 13 21.286 0.006 . 2 . . . B 35 VAL CG1 . 19382 1 390 . 1 1 35 35 VAL CG2 C 13 19.850 0.003 . 2 . . . B 35 VAL CG2 . 19382 1 391 . 1 1 35 35 VAL N N 15 122.207 0.005 . 1 . . . B 35 VAL N . 19382 1 392 . 1 1 36 36 GLU H H 1 7.228 0.003 . 1 . . . B 36 GLU H . 19382 1 393 . 1 1 36 36 GLU HA H 1 4.535 0.004 . 1 . . . B 36 GLU HA . 19382 1 394 . 1 1 36 36 GLU HB2 H 1 1.931 0.013 . 2 . . . B 36 GLU HB2 . 19382 1 395 . 1 1 36 36 GLU HB3 H 1 2.101 0.002 . 2 . . . B 36 GLU HB3 . 19382 1 396 . 1 1 36 36 GLU HG2 H 1 1.926 0.016 . 2 . . . B 36 GLU HG2 . 19382 1 397 . 1 1 36 36 GLU HG3 H 1 2.230 0.002 . 2 . . . B 36 GLU HG3 . 19382 1 398 . 1 1 36 36 GLU CA C 13 56.844 0.021 . 1 . . . B 36 GLU CA . 19382 1 399 . 1 1 36 36 GLU CB C 13 34.132 0.024 . 1 . . . B 36 GLU CB . 19382 1 400 . 1 1 36 36 GLU CG C 13 37.375 0.022 . 1 . . . B 36 GLU CG . 19382 1 401 . 1 1 36 36 GLU N N 15 118.922 0.003 . 1 . . . B 36 GLU N . 19382 1 402 . 1 1 37 37 VAL H H 1 8.607 0.010 . 1 . . . B 37 VAL H . 19382 1 403 . 1 1 37 37 VAL HA H 1 4.420 0.005 . 1 . . . B 37 VAL HA . 19382 1 404 . 1 1 37 37 VAL HB H 1 2.072 0.003 . 1 . . . B 37 VAL HB . 19382 1 405 . 1 1 37 37 VAL HG11 H 1 0.834 0.004 . 2 . . . B 37 VAL HG11 . 19382 1 406 . 1 1 37 37 VAL HG12 H 1 0.834 0.004 . 2 . . . B 37 VAL HG12 . 19382 1 407 . 1 1 37 37 VAL HG21 H 1 0.901 0.007 . 2 . . . B 37 VAL HG21 . 19382 1 408 . 1 1 37 37 VAL HG13 H 1 0.834 0.004 . 2 . . . B 37 VAL HG13 . 19382 1 409 . 1 1 37 37 VAL HG22 H 1 0.901 0.007 . 2 . . . B 37 VAL HG22 . 19382 1 410 . 1 1 37 37 VAL HG23 H 1 0.901 0.007 . 2 . . . B 37 VAL HG23 . 19382 1 411 . 1 1 37 37 VAL CA C 13 62.410 0.010 . 1 . . . B 37 VAL CA . 19382 1 412 . 1 1 37 37 VAL CB C 13 33.908 0.017 . 1 . . . B 37 VAL CB . 19382 1 413 . 1 1 37 37 VAL CG1 C 13 21.534 0.005 . 2 . . . B 37 VAL CG1 . 19382 1 414 . 1 1 37 37 VAL CG2 C 13 21.880 0.007 . 2 . . . B 37 VAL CG2 . 19382 1 415 . 1 1 37 37 VAL N N 15 126.068 0.003 . 1 . . . B 37 VAL N . 19382 1 416 . 1 1 38 38 LEU H H 1 9.052 0.005 . 1 . . . B 38 LEU H . 19382 1 417 . 1 1 38 38 LEU HA H 1 4.792 0.004 . 1 . . . B 38 LEU HA . 19382 1 418 . 1 1 38 38 LEU HB2 H 1 1.540 0.006 . 2 . . . B 38 LEU HB2 . 19382 1 419 . 1 1 38 38 LEU HB3 H 1 1.922 0.002 . 2 . . . B 38 LEU HB3 . 19382 1 420 . 1 1 38 38 LEU HG H 1 1.575 0.004 . 1 . . . B 38 LEU HG . 19382 1 421 . 1 1 38 38 LEU HD11 H 1 0.999 0.004 . 2 . . . B 38 LEU HD11 . 19382 1 422 . 1 1 38 38 LEU HD12 H 1 0.999 0.004 . 2 . . . B 38 LEU HD12 . 19382 1 423 . 1 1 38 38 LEU HD13 H 1 0.999 0.004 . 2 . . . B 38 LEU HD13 . 19382 1 424 . 1 1 38 38 LEU HD21 H 1 0.981 0.006 . 2 . . . B 38 LEU HD21 . 19382 1 425 . 1 1 38 38 LEU HD22 H 1 0.981 0.006 . 2 . . . B 38 LEU HD22 . 19382 1 426 . 1 1 38 38 LEU HD23 H 1 0.981 0.006 . 2 . . . B 38 LEU HD23 . 19382 1 427 . 1 1 38 38 LEU CA C 13 53.395 0.023 . 1 . . . B 38 LEU CA . 19382 1 428 . 1 1 38 38 LEU CB C 13 44.538 0.013 . 1 . . . B 38 LEU CB . 19382 1 429 . 1 1 38 38 LEU CG C 13 27.435 0.095 . 1 . . . B 38 LEU CG . 19382 1 430 . 1 1 38 38 LEU CD1 C 13 25.274 0.017 . 2 . . . B 38 LEU CD1 . 19382 1 431 . 1 1 38 38 LEU CD2 C 13 24.060 0.035 . 2 . . . B 38 LEU CD2 . 19382 1 432 . 1 1 38 38 LEU N N 15 129.638 0.004 . 1 . . . B 38 LEU N . 19382 1 433 . 1 1 39 39 LEU H H 1 9.030 0.003 . 1 . . . B 39 LEU H . 19382 1 434 . 1 1 39 39 LEU HA H 1 4.400 0.006 . 1 . . . B 39 LEU HA . 19382 1 435 . 1 1 39 39 LEU HB2 H 1 0.911 0.007 . 2 . . . B 39 LEU HB2 . 19382 1 436 . 1 1 39 39 LEU HB3 H 1 1.941 0.003 . 2 . . . B 39 LEU HB3 . 19382 1 437 . 1 1 39 39 LEU HG H 1 1.349 0.003 . 1 . . . B 39 LEU HG . 19382 1 438 . 1 1 39 39 LEU HD11 H 1 0.887 0.004 . 2 . . . B 39 LEU HD11 . 19382 1 439 . 1 1 39 39 LEU HD12 H 1 0.887 0.004 . 2 . . . B 39 LEU HD12 . 19382 1 440 . 1 1 39 39 LEU HD13 H 1 0.887 0.004 . 2 . . . B 39 LEU HD13 . 19382 1 441 . 1 1 39 39 LEU HD21 H 1 0.763 0.005 . 2 . . . B 39 LEU HD21 . 19382 1 442 . 1 1 39 39 LEU HD22 H 1 0.763 0.005 . 2 . . . B 39 LEU HD22 . 19382 1 443 . 1 1 39 39 LEU HD23 H 1 0.763 0.005 . 2 . . . B 39 LEU HD23 . 19382 1 444 . 1 1 39 39 LEU CA C 13 53.997 0.025 . 1 . . . B 39 LEU CA . 19382 1 445 . 1 1 39 39 LEU CB C 13 44.232 0.022 . 1 . . . B 39 LEU CB . 19382 1 446 . 1 1 39 39 LEU CG C 13 27.280 0.036 . 1 . . . B 39 LEU CG . 19382 1 447 . 1 1 39 39 LEU CD1 C 13 26.654 0.042 . 2 . . . B 39 LEU CD1 . 19382 1 448 . 1 1 39 39 LEU CD2 C 13 23.625 0.012 . 2 . . . B 39 LEU CD2 . 19382 1 449 . 1 1 39 39 LEU N N 15 128.599 0.002 . 1 . . . B 39 LEU N . 19382 1 450 . 1 1 40 40 MET H H 1 7.848 0.015 . 1 . . . B 40 MET H . 19382 1 451 . 1 1 40 40 MET HA H 1 4.595 0.003 . 1 . . . B 40 MET HA . 19382 1 452 . 1 1 40 40 MET HB2 H 1 1.096 0.012 . 2 . . . B 40 MET HB2 . 19382 1 453 . 1 1 40 40 MET HB3 H 1 1.307 0.013 . 2 . . . B 40 MET HB3 . 19382 1 454 . 1 1 40 40 MET HG2 H 1 2.119 0.011 . 2 . . . B 40 MET HG2 . 19382 1 455 . 1 1 40 40 MET HG3 H 1 2.389 0.009 . 2 . . . B 40 MET HG3 . 19382 1 456 . 1 1 40 40 MET HE1 H 1 2.360 0.001 . 1 . . . B 40 MET HE1 . 19382 1 457 . 1 1 40 40 MET HE2 H 1 2.360 0.001 . 1 . . . B 40 MET HE2 . 19382 1 458 . 1 1 40 40 MET HE3 H 1 2.360 0.001 . 1 . . . B 40 MET HE3 . 19382 1 459 . 1 1 40 40 MET CA C 13 54.617 0.014 . 1 . . . B 40 MET CA . 19382 1 460 . 1 1 40 40 MET CB C 13 29.778 0.009 . 1 . . . B 40 MET CB . 19382 1 461 . 1 1 40 40 MET CG C 13 32.471 0.028 . 1 . . . B 40 MET CG . 19382 1 462 . 1 1 40 40 MET CE C 13 17.062 0.004 . 1 . . . B 40 MET CE . 19382 1 463 . 1 1 40 40 MET N N 15 125.937 0.029 . 1 . . . B 40 MET N . 19382 1 464 . 1 1 41 41 LYS H H 1 8.444 0.003 . 1 . . . B 41 LYS H . 19382 1 465 . 1 1 41 41 LYS HA H 1 4.911 0.002 . 1 . . . B 41 LYS HA . 19382 1 466 . 1 1 41 41 LYS HB2 H 1 1.447 0.021 . 2 . . . B 41 LYS HB2 . 19382 1 467 . 1 1 41 41 LYS HB3 H 1 1.575 0.006 . 2 . . . B 41 LYS HB3 . 19382 1 468 . 1 1 41 41 LYS HG2 H 1 1.105 0.003 . 2 . . . B 41 LYS HG2 . 19382 1 469 . 1 1 41 41 LYS HG3 H 1 1.398 0.005 . 2 . . . B 41 LYS HG3 . 19382 1 470 . 1 1 41 41 LYS HD2 H 1 1.573 0.004 . 2 . . . B 41 LYS HD2 . 19382 1 471 . 1 1 41 41 LYS HD3 H 1 1.659 0.000 . 2 . . . B 41 LYS HD3 . 19382 1 472 . 1 1 41 41 LYS HE2 H 1 2.956 0.005 . 2 . . . B 41 LYS HE2 . 19382 1 473 . 1 1 41 41 LYS HE3 H 1 2.956 0.005 . 2 . . . B 41 LYS HE3 . 19382 1 474 . 1 1 41 41 LYS CA C 13 54.708 0.004 . 1 . . . B 41 LYS CA . 19382 1 475 . 1 1 41 41 LYS CB C 13 36.342 0.017 . 1 . . . B 41 LYS CB . 19382 1 476 . 1 1 41 41 LYS CG C 13 25.017 0.013 . 1 . . . B 41 LYS CG . 19382 1 477 . 1 1 41 41 LYS CD C 13 29.225 0.033 . 1 . . . B 41 LYS CD . 19382 1 478 . 1 1 41 41 LYS CE C 13 42.480 0.031 . 1 . . . B 41 LYS CE . 19382 1 479 . 1 1 41 41 LYS N N 15 122.049 0.005 . 1 . . . B 41 LYS N . 19382 1 480 . 1 1 42 42 ASP H H 1 8.864 0.007 . 1 . . . B 42 ASP H . 19382 1 481 . 1 1 42 42 ASP HA H 1 4.685 0.007 . 1 . . . B 42 ASP HA . 19382 1 482 . 1 1 42 42 ASP HB2 H 1 2.631 0.002 . 2 . . . B 42 ASP HB2 . 19382 1 483 . 1 1 42 42 ASP HB3 H 1 3.029 0.002 . 2 . . . B 42 ASP HB3 . 19382 1 484 . 1 1 42 42 ASP CB C 13 43.050 0.064 . 1 . . . B 42 ASP CB . 19382 1 485 . 1 1 42 42 ASP N N 15 123.896 0.002 . 1 . . . B 42 ASP N . 19382 1 486 . 1 1 43 43 ARG H H 1 8.983 0.010 . 1 . . . B 43 ARG H . 19382 1 487 . 1 1 43 43 ARG HA H 1 4.155 0.003 . 1 . . . B 43 ARG HA . 19382 1 488 . 1 1 43 43 ARG HB2 H 1 1.973 0.005 . 2 . . . B 43 ARG HB2 . 19382 1 489 . 1 1 43 43 ARG HB3 H 1 1.973 0.005 . 2 . . . B 43 ARG HB3 . 19382 1 490 . 1 1 43 43 ARG HG2 H 1 1.779 0.005 . 2 . . . B 43 ARG HG2 . 19382 1 491 . 1 1 43 43 ARG HG3 H 1 1.779 0.005 . 2 . . . B 43 ARG HG3 . 19382 1 492 . 1 1 43 43 ARG HD2 H 1 3.265 0.003 . 2 . . . B 43 ARG HD2 . 19382 1 493 . 1 1 43 43 ARG HD3 H 1 3.265 0.003 . 2 . . . B 43 ARG HD3 . 19382 1 494 . 1 1 43 43 ARG CA C 13 58.790 0.026 . 1 . . . B 43 ARG CA . 19382 1 495 . 1 1 43 43 ARG CB C 13 30.330 0.018 . 1 . . . B 43 ARG CB . 19382 1 496 . 1 1 43 43 ARG CG C 13 27.257 0.000 . 1 . . . B 43 ARG CG . 19382 1 497 . 1 1 43 43 ARG CD C 13 43.471 0.018 . 1 . . . B 43 ARG CD . 19382 1 498 . 1 1 43 43 ARG N N 15 126.892 0.008 . 1 . . . B 43 ARG N . 19382 1 499 . 1 1 44 44 GLU H H 1 8.687 0.000 . 1 . . . B 44 GLU H . 19382 1 500 . 1 1 44 44 GLU HA H 1 4.371 0.003 . 1 . . . B 44 GLU HA . 19382 1 501 . 1 1 44 44 GLU HB2 H 1 2.226 0.014 . 2 . . . B 44 GLU HB2 . 19382 1 502 . 1 1 44 44 GLU HB3 H 1 2.226 0.014 . 2 . . . B 44 GLU HB3 . 19382 1 503 . 1 1 44 44 GLU HG2 H 1 2.382 0.008 . 2 . . . B 44 GLU HG2 . 19382 1 504 . 1 1 44 44 GLU HG3 H 1 2.382 0.008 . 2 . . . B 44 GLU HG3 . 19382 1 505 . 1 1 44 44 GLU CA C 13 58.683 0.004 . 1 . . . B 44 GLU CA . 19382 1 506 . 1 1 44 44 GLU CB C 13 30.160 0.032 . 1 . . . B 44 GLU CB . 19382 1 507 . 1 1 44 44 GLU CG C 13 36.614 0.002 . 1 . . . B 44 GLU CG . 19382 1 508 . 1 1 44 44 GLU N N 15 117.468 0.001 . 1 . . . B 44 GLU N . 19382 1 509 . 1 1 45 45 THR H H 1 8.172 0.012 . 1 . . . B 45 THR H . 19382 1 510 . 1 1 45 45 THR HA H 1 4.447 0.004 . 1 . . . B 45 THR HA . 19382 1 511 . 1 1 45 45 THR HB H 1 4.438 0.009 . 1 . . . B 45 THR HB . 19382 1 512 . 1 1 45 45 THR HG21 H 1 1.287 0.002 . 1 . . . B 45 THR HG21 . 19382 1 513 . 1 1 45 45 THR HG22 H 1 1.287 0.002 . 1 . . . B 45 THR HG22 . 19382 1 514 . 1 1 45 45 THR HG23 H 1 1.287 0.002 . 1 . . . B 45 THR HG23 . 19382 1 515 . 1 1 45 45 THR CA C 13 61.838 0.009 . 1 . . . B 45 THR CA . 19382 1 516 . 1 1 45 45 THR CB C 13 71.163 0.020 . 1 . . . B 45 THR CB . 19382 1 517 . 1 1 45 45 THR CG2 C 13 21.426 0.002 . 1 . . . B 45 THR CG2 . 19382 1 518 . 1 1 45 45 THR N N 15 107.088 0.000 . 1 . . . B 45 THR N . 19382 1 519 . 1 1 46 46 ASN H H 1 8.389 0.004 . 1 . . . B 46 ASN H . 19382 1 520 . 1 1 46 46 ASN HA H 1 4.496 0.005 . 1 . . . B 46 ASN HA . 19382 1 521 . 1 1 46 46 ASN HB2 H 1 2.897 0.003 . 2 . . . B 46 ASN HB2 . 19382 1 522 . 1 1 46 46 ASN HB3 H 1 3.235 0.001 . 2 . . . B 46 ASN HB3 . 19382 1 523 . 1 1 46 46 ASN HD21 H 1 6.845 0.004 . 2 . . . B 46 ASN HD21 . 19382 1 524 . 1 1 46 46 ASN HD22 H 1 7.500 0.002 . 2 . . . B 46 ASN HD22 . 19382 1 525 . 1 1 46 46 ASN CA C 13 55.027 0.004 . 1 . . . B 46 ASN CA . 19382 1 526 . 1 1 46 46 ASN CB C 13 38.541 0.003 . 1 . . . B 46 ASN CB . 19382 1 527 . 1 1 46 46 ASN N N 15 117.525 0.049 . 1 . . . B 46 ASN N . 19382 1 528 . 1 1 46 46 ASN ND2 N 15 111.998 0.020 . 1 . . . B 46 ASN ND2 . 19382 1 529 . 1 1 47 47 LYS H H 1 7.649 0.002 . 1 . . . B 47 LYS H . 19382 1 530 . 1 1 47 47 LYS HA H 1 4.457 0.011 . 1 . . . B 47 LYS HA . 19382 1 531 . 1 1 47 47 LYS HB2 H 1 1.752 0.002 . 2 . . . B 47 LYS HB2 . 19382 1 532 . 1 1 47 47 LYS HB3 H 1 1.895 0.001 . 2 . . . B 47 LYS HB3 . 19382 1 533 . 1 1 47 47 LYS HG2 H 1 1.546 0.003 . 2 . . . B 47 LYS HG2 . 19382 1 534 . 1 1 47 47 LYS HG3 H 1 1.758 0.003 . 2 . . . B 47 LYS HG3 . 19382 1 535 . 1 1 47 47 LYS HD2 H 1 1.761 0.005 . 2 . . . B 47 LYS HD2 . 19382 1 536 . 1 1 47 47 LYS HD3 H 1 1.761 0.005 . 2 . . . B 47 LYS HD3 . 19382 1 537 . 1 1 47 47 LYS HE2 H 1 3.077 0.011 . 2 . . . B 47 LYS HE2 . 19382 1 538 . 1 1 47 47 LYS HE3 H 1 3.077 0.011 . 2 . . . B 47 LYS HE3 . 19382 1 539 . 1 1 47 47 LYS CA C 13 55.547 0.054 . 1 . . . B 47 LYS CA . 19382 1 540 . 1 1 47 47 LYS CB C 13 34.068 0.015 . 1 . . . B 47 LYS CB . 19382 1 541 . 1 1 47 47 LYS CG C 13 25.034 0.047 . 1 . . . B 47 LYS CG . 19382 1 542 . 1 1 47 47 LYS CD C 13 28.938 0.083 . 1 . . . B 47 LYS CD . 19382 1 543 . 1 1 47 47 LYS CE C 13 42.350 0.007 . 1 . . . B 47 LYS CE . 19382 1 544 . 1 1 47 47 LYS N N 15 117.695 0.002 . 1 . . . B 47 LYS N . 19382 1 545 . 1 1 48 48 SER H H 1 8.787 0.001 . 1 . . . B 48 SER H . 19382 1 546 . 1 1 48 48 SER HA H 1 4.384 0.004 . 1 . . . B 48 SER HA . 19382 1 547 . 1 1 48 48 SER HB2 H 1 4.040 0.012 . 2 . . . B 48 SER HB2 . 19382 1 548 . 1 1 48 48 SER HB3 H 1 4.109 0.015 . 2 . . . B 48 SER HB3 . 19382 1 549 . 1 1 48 48 SER CA C 13 58.462 0.000 . 1 . . . B 48 SER CA . 19382 1 550 . 1 1 48 48 SER CB C 13 64.621 0.004 . 1 . . . B 48 SER CB . 19382 1 551 . 1 1 48 48 SER N N 15 116.260 0.018 . 1 . . . B 48 SER N . 19382 1 552 . 1 1 49 49 ARG H H 1 9.079 0.008 . 1 . . . B 49 ARG H . 19382 1 553 . 1 1 49 49 ARG HA H 1 4.459 0.008 . 1 . . . B 49 ARG HA . 19382 1 554 . 1 1 49 49 ARG HB2 H 1 1.091 0.005 . 2 . . . B 49 ARG HB2 . 19382 1 555 . 1 1 49 49 ARG HB3 H 1 2.424 0.011 . 2 . . . B 49 ARG HB3 . 19382 1 556 . 1 1 49 49 ARG HG2 H 1 1.610 0.007 . 2 . . . B 49 ARG HG2 . 19382 1 557 . 1 1 49 49 ARG HG3 H 1 1.860 0.010 . 2 . . . B 49 ARG HG3 . 19382 1 558 . 1 1 49 49 ARG HD2 H 1 2.900 0.013 . 2 . . . B 49 ARG HD2 . 19382 1 559 . 1 1 49 49 ARG HD3 H 1 3.238 0.005 . 2 . . . B 49 ARG HD3 . 19382 1 560 . 1 1 49 49 ARG HE H 1 7.459 0.013 . 1 . . . B 49 ARG HE . 19382 1 561 . 1 1 49 49 ARG CA C 13 56.741 0.000 . 1 . . . B 49 ARG CA . 19382 1 562 . 1 1 49 49 ARG CB C 13 31.900 0.009 . 1 . . . B 49 ARG CB . 19382 1 563 . 1 1 49 49 ARG CG C 13 27.362 0.065 . 1 . . . B 49 ARG CG . 19382 1 564 . 1 1 49 49 ARG CD C 13 44.522 0.051 . 1 . . . B 49 ARG CD . 19382 1 565 . 1 1 49 49 ARG N N 15 124.026 0.008 . 1 . . . B 49 ARG N . 19382 1 566 . 1 1 49 49 ARG NE N 15 84.000 0.084 . 1 . . . B 49 ARG NE . 19382 1 567 . 1 1 50 50 GLY H H 1 9.178 0.010 . 1 . . . B 50 GLY H . 19382 1 568 . 1 1 50 50 GLY HA2 H 1 3.311 0.003 . 2 . . . B 50 GLY HA2 . 19382 1 569 . 1 1 50 50 GLY HA3 H 1 4.271 0.009 . 2 . . . B 50 GLY HA3 . 19382 1 570 . 1 1 50 50 GLY CA C 13 45.848 0.007 . 1 . . . B 50 GLY CA . 19382 1 571 . 1 1 50 50 GLY N N 15 106.539 0.001 . 1 . . . B 50 GLY N . 19382 1 572 . 1 1 51 51 PHE H H 1 7.004 0.008 . 1 . . . B 51 PHE H . 19382 1 573 . 1 1 51 51 PHE HA H 1 5.296 0.003 . 1 . . . B 51 PHE HA . 19382 1 574 . 1 1 51 51 PHE HB2 H 1 2.786 0.005 . 2 . . . B 51 PHE HB2 . 19382 1 575 . 1 1 51 51 PHE HB3 H 1 3.203 0.016 . 2 . . . B 51 PHE HB3 . 19382 1 576 . 1 1 51 51 PHE HD1 H 1 6.889 0.003 . 3 . . . B 51 PHE HD1 . 19382 1 577 . 1 1 51 51 PHE HD2 H 1 6.889 0.003 . 3 . . . B 51 PHE HD2 . 19382 1 578 . 1 1 51 51 PHE HE1 H 1 7.443 0.002 . 3 . . . B 51 PHE HE1 . 19382 1 579 . 1 1 51 51 PHE HE2 H 1 7.443 0.002 . 3 . . . B 51 PHE HE2 . 19382 1 580 . 1 1 51 51 PHE HZ H 1 7.289 0.009 . 1 . . . B 51 PHE HZ . 19382 1 581 . 1 1 51 51 PHE CA C 13 55.113 0.010 . 1 . . . B 51 PHE CA . 19382 1 582 . 1 1 51 51 PHE CB C 13 41.402 0.011 . 1 . . . B 51 PHE CB . 19382 1 583 . 1 1 51 51 PHE CD1 C 13 133.106 0.015 . 3 . . . B 51 PHE CD1 . 19382 1 584 . 1 1 51 51 PHE CE1 C 13 131.461 0.025 . 3 . . . B 51 PHE CE1 . 19382 1 585 . 1 1 51 51 PHE CZ C 13 128.969 0.042 . 1 . . . B 51 PHE CZ . 19382 1 586 . 1 1 51 51 PHE N N 15 112.056 0.006 . 1 . . . B 51 PHE N . 19382 1 587 . 1 1 52 52 ALA H H 1 8.832 0.014 . 1 . . . B 52 ALA H . 19382 1 588 . 1 1 52 52 ALA HA H 1 4.839 0.009 . 1 . . . B 52 ALA HA . 19382 1 589 . 1 1 52 52 ALA HB1 H 1 0.927 0.006 . 1 . . . B 52 ALA HB1 . 19382 1 590 . 1 1 52 52 ALA HB2 H 1 0.927 0.006 . 1 . . . B 52 ALA HB2 . 19382 1 591 . 1 1 52 52 ALA HB3 H 1 0.927 0.006 . 1 . . . B 52 ALA HB3 . 19382 1 592 . 1 1 52 52 ALA CA C 13 49.666 0.000 . 1 . . . B 52 ALA CA . 19382 1 593 . 1 1 52 52 ALA CB C 13 25.592 0.003 . 1 . . . B 52 ALA CB . 19382 1 594 . 1 1 52 52 ALA N N 15 120.974 0.001 . 1 . . . B 52 ALA N . 19382 1 595 . 1 1 53 53 PHE H H 1 8.710 0.013 . 1 . . . B 53 PHE H . 19382 1 596 . 1 1 53 53 PHE HA H 1 5.673 0.008 . 1 . . . B 53 PHE HA . 19382 1 597 . 1 1 53 53 PHE HB2 H 1 2.663 0.011 . 2 . . . B 53 PHE HB2 . 19382 1 598 . 1 1 53 53 PHE HB3 H 1 2.766 0.007 . 2 . . . B 53 PHE HB3 . 19382 1 599 . 1 1 53 53 PHE HD1 H 1 6.958 0.010 . 3 . . . B 53 PHE HD1 . 19382 1 600 . 1 1 53 53 PHE HD2 H 1 6.958 0.010 . 3 . . . B 53 PHE HD2 . 19382 1 601 . 1 1 53 53 PHE HE1 H 1 7.066 0.007 . 3 . . . B 53 PHE HE1 . 19382 1 602 . 1 1 53 53 PHE HE2 H 1 7.066 0.007 . 3 . . . B 53 PHE HE2 . 19382 1 603 . 1 1 53 53 PHE HZ H 1 6.745 0.010 . 1 . . . B 53 PHE HZ . 19382 1 604 . 1 1 53 53 PHE CA C 13 56.140 0.010 . 1 . . . B 53 PHE CA . 19382 1 605 . 1 1 53 53 PHE CB C 13 42.661 0.018 . 1 . . . B 53 PHE CB . 19382 1 606 . 1 1 53 53 PHE CD1 C 13 131.798 0.017 . 3 . . . B 53 PHE CD1 . 19382 1 607 . 1 1 53 53 PHE CE1 C 13 130.048 0.032 . 3 . . . B 53 PHE CE1 . 19382 1 608 . 1 1 53 53 PHE CZ C 13 127.973 0.021 . 1 . . . B 53 PHE CZ . 19382 1 609 . 1 1 53 53 PHE N N 15 113.680 0.003 . 1 . . . B 53 PHE N . 19382 1 610 . 1 1 54 54 VAL H H 1 8.800 0.010 . 1 . . . B 54 VAL H . 19382 1 611 . 1 1 54 54 VAL HA H 1 4.680 0.001 . 1 . . . B 54 VAL HA . 19382 1 612 . 1 1 54 54 VAL HB H 1 1.437 0.002 . 1 . . . B 54 VAL HB . 19382 1 613 . 1 1 54 54 VAL HG11 H 1 0.478 0.009 . 2 . . . B 54 VAL HG11 . 19382 1 614 . 1 1 54 54 VAL HG12 H 1 0.478 0.009 . 2 . . . B 54 VAL HG12 . 19382 1 615 . 1 1 54 54 VAL HG21 H 1 0.409 0.007 . 2 . . . B 54 VAL HG21 . 19382 1 616 . 1 1 54 54 VAL HG13 H 1 0.478 0.009 . 2 . . . B 54 VAL HG13 . 19382 1 617 . 1 1 54 54 VAL HG22 H 1 0.409 0.007 . 2 . . . B 54 VAL HG22 . 19382 1 618 . 1 1 54 54 VAL HG23 H 1 0.409 0.007 . 2 . . . B 54 VAL HG23 . 19382 1 619 . 1 1 54 54 VAL CB C 13 35.343 0.005 . 1 . . . B 54 VAL CB . 19382 1 620 . 1 1 54 54 VAL CG1 C 13 21.856 0.001 . 2 . . . B 54 VAL CG1 . 19382 1 621 . 1 1 54 54 VAL CG2 C 13 21.576 0.002 . 2 . . . B 54 VAL CG2 . 19382 1 622 . 1 1 54 54 VAL N N 15 124.889 0.002 . 1 . . . B 54 VAL N . 19382 1 623 . 1 1 55 55 THR H H 1 8.943 0.011 . 1 . . . B 55 THR H . 19382 1 624 . 1 1 55 55 THR HA H 1 5.159 0.003 . 1 . . . B 55 THR HA . 19382 1 625 . 1 1 55 55 THR HB H 1 3.882 0.001 . 1 . . . B 55 THR HB . 19382 1 626 . 1 1 55 55 THR HG21 H 1 1.043 0.002 . 1 . . . B 55 THR HG21 . 19382 1 627 . 1 1 55 55 THR HG22 H 1 1.043 0.002 . 1 . . . B 55 THR HG22 . 19382 1 628 . 1 1 55 55 THR HG23 H 1 1.043 0.002 . 1 . . . B 55 THR HG23 . 19382 1 629 . 1 1 55 55 THR CA C 13 61.912 0.005 . 1 . . . B 55 THR CA . 19382 1 630 . 1 1 55 55 THR CB C 13 69.698 0.013 . 1 . . . B 55 THR CB . 19382 1 631 . 1 1 55 55 THR CG2 C 13 21.652 0.003 . 1 . . . B 55 THR CG2 . 19382 1 632 . 1 1 55 55 THR N N 15 123.052 0.002 . 1 . . . B 55 THR N . 19382 1 633 . 1 1 56 56 PHE H H 1 8.917 0.004 . 1 . . . B 56 PHE H . 19382 1 634 . 1 1 56 56 PHE HA H 1 4.815 0.004 . 1 . . . B 56 PHE HA . 19382 1 635 . 1 1 56 56 PHE HB2 H 1 2.853 0.001 . 2 . . . B 56 PHE HB2 . 19382 1 636 . 1 1 56 56 PHE HB3 H 1 3.732 0.003 . 2 . . . B 56 PHE HB3 . 19382 1 637 . 1 1 56 56 PHE HD1 H 1 7.276 0.003 . 3 . . . B 56 PHE HD1 . 19382 1 638 . 1 1 56 56 PHE HD2 H 1 7.276 0.003 . 3 . . . B 56 PHE HD2 . 19382 1 639 . 1 1 56 56 PHE HE1 H 1 7.276 0.003 . 3 . . . B 56 PHE HE1 . 19382 1 640 . 1 1 56 56 PHE HE2 H 1 7.276 0.003 . 3 . . . B 56 PHE HE2 . 19382 1 641 . 1 1 56 56 PHE HZ H 1 7.674 0.002 . 1 . . . B 56 PHE HZ . 19382 1 642 . 1 1 56 56 PHE CA C 13 58.294 0.038 . 1 . . . B 56 PHE CA . 19382 1 643 . 1 1 56 56 PHE CB C 13 40.666 0.037 . 1 . . . B 56 PHE CB . 19382 1 644 . 1 1 56 56 PHE CD2 C 13 131.554 0.013 . 3 . . . B 56 PHE CD2 . 19382 1 645 . 1 1 56 56 PHE CE2 C 13 131.554 0.013 . 3 . . . B 56 PHE CE2 . 19382 1 646 . 1 1 56 56 PHE CZ C 13 129.656 0.000 . 1 . . . B 56 PHE CZ . 19382 1 647 . 1 1 56 56 PHE N N 15 128.514 0.002 . 1 . . . B 56 PHE N . 19382 1 648 . 1 1 57 57 GLU H H 1 8.240 0.007 . 1 . . . B 57 GLU H . 19382 1 649 . 1 1 57 57 GLU HA H 1 3.952 0.002 . 1 . . . B 57 GLU HA . 19382 1 650 . 1 1 57 57 GLU HB2 H 1 1.936 0.006 . 2 . . . B 57 GLU HB2 . 19382 1 651 . 1 1 57 57 GLU HB3 H 1 2.252 0.005 . 2 . . . B 57 GLU HB3 . 19382 1 652 . 1 1 57 57 GLU HG2 H 1 2.282 0.016 . 2 . . . B 57 GLU HG2 . 19382 1 653 . 1 1 57 57 GLU HG3 H 1 2.282 0.016 . 2 . . . B 57 GLU HG3 . 19382 1 654 . 1 1 57 57 GLU CA C 13 59.502 0.002 . 1 . . . B 57 GLU CA . 19382 1 655 . 1 1 57 57 GLU CB C 13 30.551 0.029 . 1 . . . B 57 GLU CB . 19382 1 656 . 1 1 57 57 GLU CG C 13 36.504 0.064 . 1 . . . B 57 GLU CG . 19382 1 657 . 1 1 57 57 GLU N N 15 121.809 0.002 . 1 . . . B 57 GLU N . 19382 1 658 . 1 1 58 58 SER H H 1 9.461 0.003 . 1 . . . B 58 SER H . 19382 1 659 . 1 1 58 58 SER HA H 1 5.333 0.002 . 1 . . . B 58 SER HA . 19382 1 660 . 1 1 58 58 SER HB2 H 1 4.077 0.004 . 2 . . . B 58 SER HB2 . 19382 1 661 . 1 1 58 58 SER HB3 H 1 4.077 0.004 . 2 . . . B 58 SER HB3 . 19382 1 662 . 1 1 58 58 SER CA C 13 53.261 0.011 . 1 . . . B 58 SER CA . 19382 1 663 . 1 1 58 58 SER CB C 13 64.505 0.003 . 1 . . . B 58 SER CB . 19382 1 664 . 1 1 58 58 SER N N 15 112.478 0.003 . 1 . . . B 58 SER N . 19382 1 665 . 1 1 59 59 PRO HA H 1 4.148 0.002 . 1 . . . B 59 PRO HA . 19382 1 666 . 1 1 59 59 PRO HB2 H 1 2.108 0.005 . 2 . . . B 59 PRO HB2 . 19382 1 667 . 1 1 59 59 PRO HB3 H 1 2.314 0.004 . 2 . . . B 59 PRO HB3 . 19382 1 668 . 1 1 59 59 PRO HG2 H 1 1.914 0.003 . 2 . . . B 59 PRO HG2 . 19382 1 669 . 1 1 59 59 PRO HG3 H 1 2.294 0.003 . 2 . . . B 59 PRO HG3 . 19382 1 670 . 1 1 59 59 PRO HD2 H 1 4.089 0.007 . 2 . . . B 59 PRO HD2 . 19382 1 671 . 1 1 59 59 PRO HD3 H 1 4.222 0.004 . 2 . . . B 59 PRO HD3 . 19382 1 672 . 1 1 59 59 PRO CA C 13 65.069 0.005 . 1 . . . B 59 PRO CA . 19382 1 673 . 1 1 59 59 PRO CB C 13 32.402 0.016 . 1 . . . B 59 PRO CB . 19382 1 674 . 1 1 59 59 PRO CG C 13 28.008 0.006 . 1 . . . B 59 PRO CG . 19382 1 675 . 1 1 59 59 PRO CD C 13 51.694 0.014 . 1 . . . B 59 PRO CD . 19382 1 676 . 1 1 60 60 ALA H H 1 7.957 0.002 . 1 . . . B 60 ALA H . 19382 1 677 . 1 1 60 60 ALA HA H 1 4.098 0.001 . 1 . . . B 60 ALA HA . 19382 1 678 . 1 1 60 60 ALA HB1 H 1 1.477 0.002 . 1 . . . B 60 ALA HB1 . 19382 1 679 . 1 1 60 60 ALA HB2 H 1 1.477 0.002 . 1 . . . B 60 ALA HB2 . 19382 1 680 . 1 1 60 60 ALA HB3 H 1 1.477 0.002 . 1 . . . B 60 ALA HB3 . 19382 1 681 . 1 1 60 60 ALA CA C 13 55.355 0.001 . 1 . . . B 60 ALA CA . 19382 1 682 . 1 1 60 60 ALA CB C 13 18.413 0.002 . 1 . . . B 60 ALA CB . 19382 1 683 . 1 1 60 60 ALA N N 15 120.882 0.001 . 1 . . . B 60 ALA N . 19382 1 684 . 1 1 61 61 ASP H H 1 7.157 0.003 . 1 . . . B 61 ASP H . 19382 1 685 . 1 1 61 61 ASP HA H 1 4.304 0.001 . 1 . . . B 61 ASP HA . 19382 1 686 . 1 1 61 61 ASP HB2 H 1 2.602 0.002 . 2 . . . B 61 ASP HB2 . 19382 1 687 . 1 1 61 61 ASP HB3 H 1 2.843 0.005 . 2 . . . B 61 ASP HB3 . 19382 1 688 . 1 1 61 61 ASP CA C 13 56.972 0.001 . 1 . . . B 61 ASP CA . 19382 1 689 . 1 1 61 61 ASP CB C 13 40.288 0.015 . 1 . . . B 61 ASP CB . 19382 1 690 . 1 1 61 61 ASP N N 15 120.196 0.002 . 1 . . . B 61 ASP N . 19382 1 691 . 1 1 62 62 ALA H H 1 6.901 0.001 . 1 . . . B 62 ALA H . 19382 1 692 . 1 1 62 62 ALA HA H 1 3.267 0.002 . 1 . . . B 62 ALA HA . 19382 1 693 . 1 1 62 62 ALA HB1 H 1 1.565 0.001 . 1 . . . B 62 ALA HB1 . 19382 1 694 . 1 1 62 62 ALA HB2 H 1 1.565 0.001 . 1 . . . B 62 ALA HB2 . 19382 1 695 . 1 1 62 62 ALA HB3 H 1 1.565 0.001 . 1 . . . B 62 ALA HB3 . 19382 1 696 . 1 1 62 62 ALA CA C 13 54.367 0.011 . 1 . . . B 62 ALA CA . 19382 1 697 . 1 1 62 62 ALA CB C 13 19.004 0.004 . 1 . . . B 62 ALA CB . 19382 1 698 . 1 1 62 62 ALA N N 15 119.636 0.001 . 1 . . . B 62 ALA N . 19382 1 699 . 1 1 63 63 LYS H H 1 7.605 0.005 . 1 . . . B 63 LYS H . 19382 1 700 . 1 1 63 63 LYS HA H 1 3.975 0.002 . 1 . . . B 63 LYS HA . 19382 1 701 . 1 1 63 63 LYS HB2 H 1 1.977 0.004 . 2 . . . B 63 LYS HB2 . 19382 1 702 . 1 1 63 63 LYS HB3 H 1 1.977 0.004 . 2 . . . B 63 LYS HB3 . 19382 1 703 . 1 1 63 63 LYS HG2 H 1 1.488 0.013 . 2 . . . B 63 LYS HG2 . 19382 1 704 . 1 1 63 63 LYS HG3 H 1 1.687 0.005 . 2 . . . B 63 LYS HG3 . 19382 1 705 . 1 1 63 63 LYS HD2 H 1 1.770 0.004 . 2 . . . B 63 LYS HD2 . 19382 1 706 . 1 1 63 63 LYS HD3 H 1 1.770 0.004 . 2 . . . B 63 LYS HD3 . 19382 1 707 . 1 1 63 63 LYS HE2 H 1 3.045 0.015 . 2 . . . B 63 LYS HE2 . 19382 1 708 . 1 1 63 63 LYS HE3 H 1 3.045 0.015 . 2 . . . B 63 LYS HE3 . 19382 1 709 . 1 1 63 63 LYS CA C 13 59.638 0.015 . 1 . . . B 63 LYS CA . 19382 1 710 . 1 1 63 63 LYS CB C 13 32.046 0.008 . 1 . . . B 63 LYS CB . 19382 1 711 . 1 1 63 63 LYS CG C 13 25.338 0.029 . 1 . . . B 63 LYS CG . 19382 1 712 . 1 1 63 63 LYS CD C 13 29.516 0.021 . 1 . . . B 63 LYS CD . 19382 1 713 . 1 1 63 63 LYS CE C 13 42.299 0.033 . 1 . . . B 63 LYS CE . 19382 1 714 . 1 1 63 63 LYS N N 15 117.322 0.003 . 1 . . . B 63 LYS N . 19382 1 715 . 1 1 64 64 ASP H H 1 7.488 0.002 . 1 . . . B 64 ASP H . 19382 1 716 . 1 1 64 64 ASP HA H 1 4.364 0.003 . 1 . . . B 64 ASP HA . 19382 1 717 . 1 1 64 64 ASP HB2 H 1 2.796 0.001 . 2 . . . B 64 ASP HB2 . 19382 1 718 . 1 1 64 64 ASP HB3 H 1 3.014 0.002 . 2 . . . B 64 ASP HB3 . 19382 1 719 . 1 1 64 64 ASP CA C 13 57.495 0.005 . 1 . . . B 64 ASP CA . 19382 1 720 . 1 1 64 64 ASP CB C 13 40.504 0.004 . 1 . . . B 64 ASP CB . 19382 1 721 . 1 1 64 64 ASP N N 15 120.944 0.003 . 1 . . . B 64 ASP N . 19382 1 722 . 1 1 65 65 ALA H H 1 7.806 0.003 . 1 . . . B 65 ALA H . 19382 1 723 . 1 1 65 65 ALA HA H 1 2.353 0.001 . 1 . . . B 65 ALA HA . 19382 1 724 . 1 1 65 65 ALA HB1 H 1 1.089 0.002 . 1 . . . B 65 ALA HB1 . 19382 1 725 . 1 1 65 65 ALA HB2 H 1 1.089 0.002 . 1 . . . B 65 ALA HB2 . 19382 1 726 . 1 1 65 65 ALA HB3 H 1 1.089 0.002 . 1 . . . B 65 ALA HB3 . 19382 1 727 . 1 1 65 65 ALA CA C 13 54.483 0.001 . 1 . . . B 65 ALA CA . 19382 1 728 . 1 1 65 65 ALA CB C 13 19.852 0.003 . 1 . . . B 65 ALA CB . 19382 1 729 . 1 1 65 65 ALA N N 15 122.197 0.002 . 1 . . . B 65 ALA N . 19382 1 730 . 1 1 66 66 ALA H H 1 8.247 0.004 . 1 . . . B 66 ALA H . 19382 1 731 . 1 1 66 66 ALA HA H 1 3.859 0.001 . 1 . . . B 66 ALA HA . 19382 1 732 . 1 1 66 66 ALA HB1 H 1 1.435 0.001 . 1 . . . B 66 ALA HB1 . 19382 1 733 . 1 1 66 66 ALA HB2 H 1 1.435 0.001 . 1 . . . B 66 ALA HB2 . 19382 1 734 . 1 1 66 66 ALA HB3 H 1 1.435 0.001 . 1 . . . B 66 ALA HB3 . 19382 1 735 . 1 1 66 66 ALA CA C 13 55.381 0.006 . 1 . . . B 66 ALA CA . 19382 1 736 . 1 1 66 66 ALA CB C 13 17.814 0.003 . 1 . . . B 66 ALA CB . 19382 1 737 . 1 1 66 66 ALA N N 15 118.722 0.002 . 1 . . . B 66 ALA N . 19382 1 738 . 1 1 67 67 ARG H H 1 7.803 0.002 . 1 . . . B 67 ARG H . 19382 1 739 . 1 1 67 67 ARG HA H 1 4.106 0.005 . 1 . . . B 67 ARG HA . 19382 1 740 . 1 1 67 67 ARG HB2 H 1 2.032 0.002 . 2 . . . B 67 ARG HB2 . 19382 1 741 . 1 1 67 67 ARG HB3 H 1 2.032 0.002 . 2 . . . B 67 ARG HB3 . 19382 1 742 . 1 1 67 67 ARG HG2 H 1 1.724 0.003 . 2 . . . B 67 ARG HG2 . 19382 1 743 . 1 1 67 67 ARG HG3 H 1 1.861 0.003 . 2 . . . B 67 ARG HG3 . 19382 1 744 . 1 1 67 67 ARG HD2 H 1 3.317 0.012 . 2 . . . B 67 ARG HD2 . 19382 1 745 . 1 1 67 67 ARG HD3 H 1 3.366 0.009 . 2 . . . B 67 ARG HD3 . 19382 1 746 . 1 1 67 67 ARG CA C 13 58.934 0.033 . 1 . . . B 67 ARG CA . 19382 1 747 . 1 1 67 67 ARG CB C 13 30.152 0.009 . 1 . . . B 67 ARG CB . 19382 1 748 . 1 1 67 67 ARG CG C 13 27.273 0.021 . 1 . . . B 67 ARG CG . 19382 1 749 . 1 1 67 67 ARG CD C 13 43.562 0.012 . 1 . . . B 67 ARG CD . 19382 1 750 . 1 1 67 67 ARG N N 15 116.529 0.019 . 1 . . . B 67 ARG N . 19382 1 751 . 1 1 68 68 ASP H H 1 7.800 0.000 . 1 . . . B 68 ASP H . 19382 1 752 . 1 1 68 68 ASP HA H 1 4.732 0.001 . 1 . . . B 68 ASP HA . 19382 1 753 . 1 1 68 68 ASP HB2 H 1 2.597 0.002 . 2 . . . B 68 ASP HB2 . 19382 1 754 . 1 1 68 68 ASP HB3 H 1 2.791 0.002 . 2 . . . B 68 ASP HB3 . 19382 1 755 . 1 1 68 68 ASP CB C 13 42.683 0.010 . 1 . . . B 68 ASP CB . 19382 1 756 . 1 1 68 68 ASP N N 15 116.394 0.005 . 1 . . . B 68 ASP N . 19382 1 757 . 1 1 69 69 MET H H 1 8.203 0.003 . 1 . . . B 69 MET H . 19382 1 758 . 1 1 69 69 MET HA H 1 4.902 0.002 . 1 . . . B 69 MET HA . 19382 1 759 . 1 1 69 69 MET HB2 H 1 1.988 0.004 . 2 . . . B 69 MET HB2 . 19382 1 760 . 1 1 69 69 MET HB3 H 1 2.183 0.004 . 2 . . . B 69 MET HB3 . 19382 1 761 . 1 1 69 69 MET HG2 H 1 2.485 0.004 . 2 . . . B 69 MET HG2 . 19382 1 762 . 1 1 69 69 MET HG3 H 1 2.485 0.004 . 2 . . . B 69 MET HG3 . 19382 1 763 . 1 1 69 69 MET HE1 H 1 1.720 0.002 . 1 . . . B 69 MET HE1 . 19382 1 764 . 1 1 69 69 MET HE2 H 1 1.720 0.002 . 1 . . . B 69 MET HE2 . 19382 1 765 . 1 1 69 69 MET HE3 H 1 1.720 0.002 . 1 . . . B 69 MET HE3 . 19382 1 766 . 1 1 69 69 MET CA C 13 53.703 0.022 . 1 . . . B 69 MET CA . 19382 1 767 . 1 1 69 69 MET CB C 13 32.130 0.026 . 1 . . . B 69 MET CB . 19382 1 768 . 1 1 69 69 MET CG C 13 32.089 0.015 . 1 . . . B 69 MET CG . 19382 1 769 . 1 1 69 69 MET CE C 13 15.059 0.017 . 1 . . . B 69 MET CE . 19382 1 770 . 1 1 69 69 MET N N 15 111.832 0.002 . 1 . . . B 69 MET N . 19382 1 771 . 1 1 70 70 ASN H H 1 7.724 0.010 . 1 . . . B 70 ASN H . 19382 1 772 . 1 1 70 70 ASN HA H 1 4.459 0.001 . 1 . . . B 70 ASN HA . 19382 1 773 . 1 1 70 70 ASN HB2 H 1 3.035 0.002 . 2 . . . B 70 ASN HB2 . 19382 1 774 . 1 1 70 70 ASN HB3 H 1 3.547 0.007 . 2 . . . B 70 ASN HB3 . 19382 1 775 . 1 1 70 70 ASN HD21 H 1 7.114 0.001 . 2 . . . B 70 ASN HD21 . 19382 1 776 . 1 1 70 70 ASN HD22 H 1 7.740 0.001 . 2 . . . B 70 ASN HD22 . 19382 1 777 . 1 1 70 70 ASN CA C 13 56.973 0.007 . 1 . . . B 70 ASN CA . 19382 1 778 . 1 1 70 70 ASN CB C 13 38.772 0.027 . 1 . . . B 70 ASN CB . 19382 1 779 . 1 1 70 70 ASN N N 15 116.507 0.001 . 1 . . . B 70 ASN N . 19382 1 780 . 1 1 70 70 ASN ND2 N 15 114.428 0.014 . 1 . . . B 70 ASN ND2 . 19382 1 781 . 1 1 71 71 GLY H H 1 9.065 0.007 . 1 . . . B 71 GLY H . 19382 1 782 . 1 1 71 71 GLY HA2 H 1 3.792 0.001 . 2 . . . B 71 GLY HA2 . 19382 1 783 . 1 1 71 71 GLY HA3 H 1 4.318 0.004 . 2 . . . B 71 GLY HA3 . 19382 1 784 . 1 1 71 71 GLY CA C 13 45.945 0.012 . 1 . . . B 71 GLY CA . 19382 1 785 . 1 1 71 71 GLY N N 15 117.038 0.001 . 1 . . . B 71 GLY N . 19382 1 786 . 1 1 72 72 LYS H H 1 7.949 0.003 . 1 . . . B 72 LYS H . 19382 1 787 . 1 1 72 72 LYS HA H 1 4.435 0.004 . 1 . . . B 72 LYS HA . 19382 1 788 . 1 1 72 72 LYS HB2 H 1 1.896 0.001 . 2 . . . B 72 LYS HB2 . 19382 1 789 . 1 1 72 72 LYS HB3 H 1 2.079 0.004 . 2 . . . B 72 LYS HB3 . 19382 1 790 . 1 1 72 72 LYS HG2 H 1 1.372 0.002 . 2 . . . B 72 LYS HG2 . 19382 1 791 . 1 1 72 72 LYS HG3 H 1 1.817 0.002 . 2 . . . B 72 LYS HG3 . 19382 1 792 . 1 1 72 72 LYS HD2 H 1 1.816 0.005 . 2 . . . B 72 LYS HD2 . 19382 1 793 . 1 1 72 72 LYS HD3 H 1 1.816 0.005 . 2 . . . B 72 LYS HD3 . 19382 1 794 . 1 1 72 72 LYS HE2 H 1 3.134 0.011 . 2 . . . B 72 LYS HE2 . 19382 1 795 . 1 1 72 72 LYS HE3 H 1 3.160 0.008 . 2 . . . B 72 LYS HE3 . 19382 1 796 . 1 1 72 72 LYS CA C 13 55.424 0.026 . 1 . . . B 72 LYS CA . 19382 1 797 . 1 1 72 72 LYS CB C 13 33.056 0.041 . 1 . . . B 72 LYS CB . 19382 1 798 . 1 1 72 72 LYS CG C 13 26.040 0.022 . 1 . . . B 72 LYS CG . 19382 1 799 . 1 1 72 72 LYS CD C 13 28.521 0.036 . 1 . . . B 72 LYS CD . 19382 1 800 . 1 1 72 72 LYS CE C 13 42.828 0.059 . 1 . . . B 72 LYS CE . 19382 1 801 . 1 1 72 72 LYS N N 15 120.950 0.026 . 1 . . . B 72 LYS N . 19382 1 802 . 1 1 73 73 SER H H 1 8.078 0.003 . 1 . . . B 73 SER H . 19382 1 803 . 1 1 73 73 SER HA H 1 5.076 0.001 . 1 . . . B 73 SER HA . 19382 1 804 . 1 1 73 73 SER HB2 H 1 3.637 0.015 . 2 . . . B 73 SER HB2 . 19382 1 805 . 1 1 73 73 SER HB3 H 1 3.667 0.006 . 2 . . . B 73 SER HB3 . 19382 1 806 . 1 1 73 73 SER CA C 13 57.821 0.000 . 1 . . . B 73 SER CA . 19382 1 807 . 1 1 73 73 SER CB C 13 64.481 0.004 . 1 . . . B 73 SER CB . 19382 1 808 . 1 1 73 73 SER N N 15 112.847 0.001 . 1 . . . B 73 SER N . 19382 1 809 . 1 1 74 74 LEU H H 1 9.069 0.002 . 1 . . . B 74 LEU H . 19382 1 810 . 1 1 74 74 LEU HA H 1 4.591 0.010 . 1 . . . B 74 LEU HA . 19382 1 811 . 1 1 74 74 LEU HB2 H 1 1.268 0.004 . 2 . . . B 74 LEU HB2 . 19382 1 812 . 1 1 74 74 LEU HB3 H 1 1.880 0.004 . 2 . . . B 74 LEU HB3 . 19382 1 813 . 1 1 74 74 LEU HG H 1 1.558 0.006 . 1 . . . B 74 LEU HG . 19382 1 814 . 1 1 74 74 LEU HD11 H 1 0.855 0.007 . 2 . . . B 74 LEU HD11 . 19382 1 815 . 1 1 74 74 LEU HD12 H 1 0.855 0.007 . 2 . . . B 74 LEU HD12 . 19382 1 816 . 1 1 74 74 LEU HD13 H 1 0.855 0.007 . 2 . . . B 74 LEU HD13 . 19382 1 817 . 1 1 74 74 LEU HD21 H 1 0.949 0.015 . 2 . . . B 74 LEU HD21 . 19382 1 818 . 1 1 74 74 LEU HD22 H 1 0.949 0.015 . 2 . . . B 74 LEU HD22 . 19382 1 819 . 1 1 74 74 LEU HD23 H 1 0.949 0.015 . 2 . . . B 74 LEU HD23 . 19382 1 820 . 1 1 74 74 LEU CA C 13 54.810 0.015 . 1 . . . B 74 LEU CA . 19382 1 821 . 1 1 74 74 LEU CB C 13 44.722 0.031 . 1 . . . B 74 LEU CB . 19382 1 822 . 1 1 74 74 LEU CG C 13 28.011 0.042 . 1 . . . B 74 LEU CG . 19382 1 823 . 1 1 74 74 LEU CD1 C 13 25.975 0.012 . 2 . . . B 74 LEU CD1 . 19382 1 824 . 1 1 74 74 LEU CD2 C 13 24.856 0.007 . 2 . . . B 74 LEU CD2 . 19382 1 825 . 1 1 74 74 LEU N N 15 127.515 0.002 . 1 . . . B 74 LEU N . 19382 1 826 . 1 1 75 75 ASP H H 1 9.565 0.004 . 1 . . . B 75 ASP H . 19382 1 827 . 1 1 75 75 ASP HA H 1 4.341 0.001 . 1 . . . B 75 ASP HA . 19382 1 828 . 1 1 75 75 ASP HB2 H 1 2.544 0.002 . 2 . . . B 75 ASP HB2 . 19382 1 829 . 1 1 75 75 ASP HB3 H 1 2.926 0.001 . 2 . . . B 75 ASP HB3 . 19382 1 830 . 1 1 75 75 ASP CA C 13 55.686 0.013 . 1 . . . B 75 ASP CA . 19382 1 831 . 1 1 75 75 ASP CB C 13 39.429 0.015 . 1 . . . B 75 ASP CB . 19382 1 832 . 1 1 75 75 ASP N N 15 128.803 0.011 . 1 . . . B 75 ASP N . 19382 1 833 . 1 1 76 76 GLY H H 1 8.447 0.001 . 1 . . . B 76 GLY H . 19382 1 834 . 1 1 76 76 GLY HA2 H 1 3.634 0.001 . 2 . . . B 76 GLY HA2 . 19382 1 835 . 1 1 76 76 GLY HA3 H 1 4.197 0.001 . 2 . . . B 76 GLY HA3 . 19382 1 836 . 1 1 76 76 GLY CA C 13 45.659 0.010 . 1 . . . B 76 GLY CA . 19382 1 837 . 1 1 76 76 GLY N N 15 101.959 0.000 . 1 . . . B 76 GLY N . 19382 1 838 . 1 1 77 77 LYS H H 1 7.417 0.002 . 1 . . . B 77 LYS H . 19382 1 839 . 1 1 77 77 LYS HA H 1 4.712 0.003 . 1 . . . B 77 LYS HA . 19382 1 840 . 1 1 77 77 LYS HB2 H 1 1.798 0.001 . 2 . . . B 77 LYS HB2 . 19382 1 841 . 1 1 77 77 LYS HB3 H 1 2.062 0.002 . 2 . . . B 77 LYS HB3 . 19382 1 842 . 1 1 77 77 LYS HG2 H 1 1.447 0.004 . 2 . . . B 77 LYS HG2 . 19382 1 843 . 1 1 77 77 LYS HG3 H 1 1.485 0.008 . 2 . . . B 77 LYS HG3 . 19382 1 844 . 1 1 77 77 LYS HD2 H 1 1.722 0.003 . 2 . . . B 77 LYS HD2 . 19382 1 845 . 1 1 77 77 LYS HD3 H 1 1.791 0.005 . 2 . . . B 77 LYS HD3 . 19382 1 846 . 1 1 77 77 LYS HE2 H 1 3.056 0.014 . 2 . . . B 77 LYS HE2 . 19382 1 847 . 1 1 77 77 LYS HE3 H 1 3.056 0.014 . 2 . . . B 77 LYS HE3 . 19382 1 848 . 1 1 77 77 LYS CB C 13 34.902 0.012 . 1 . . . B 77 LYS CB . 19382 1 849 . 1 1 77 77 LYS CG C 13 24.454 0.027 . 1 . . . B 77 LYS CG . 19382 1 850 . 1 1 77 77 LYS CD C 13 28.028 0.016 . 1 . . . B 77 LYS CD . 19382 1 851 . 1 1 77 77 LYS CE C 13 42.426 0.000 . 1 . . . B 77 LYS CE . 19382 1 852 . 1 1 77 77 LYS N N 15 120.026 0.010 . 1 . . . B 77 LYS N . 19382 1 853 . 1 1 78 78 ALA H H 1 8.304 0.006 . 1 . . . B 78 ALA H . 19382 1 854 . 1 1 78 78 ALA HA H 1 4.537 0.001 . 1 . . . B 78 ALA HA . 19382 1 855 . 1 1 78 78 ALA HB1 H 1 1.271 0.002 . 1 . . . B 78 ALA HB1 . 19382 1 856 . 1 1 78 78 ALA HB2 H 1 1.271 0.002 . 1 . . . B 78 ALA HB2 . 19382 1 857 . 1 1 78 78 ALA HB3 H 1 1.271 0.002 . 1 . . . B 78 ALA HB3 . 19382 1 858 . 1 1 78 78 ALA CA C 13 51.602 0.002 . 1 . . . B 78 ALA CA . 19382 1 859 . 1 1 78 78 ALA CB C 13 18.228 0.001 . 1 . . . B 78 ALA CB . 19382 1 860 . 1 1 78 78 ALA N N 15 125.190 0.000 . 1 . . . B 78 ALA N . 19382 1 861 . 1 1 79 79 ILE H H 1 8.293 0.005 . 1 . . . B 79 ILE H . 19382 1 862 . 1 1 79 79 ILE HA H 1 4.843 0.003 . 1 . . . B 79 ILE HA . 19382 1 863 . 1 1 79 79 ILE HB H 1 1.939 0.005 . 1 . . . B 79 ILE HB . 19382 1 864 . 1 1 79 79 ILE HG12 H 1 1.532 0.002 . 2 . . . B 79 ILE HG12 . 19382 1 865 . 1 1 79 79 ILE HG21 H 1 0.923 0.004 . 1 . . . B 79 ILE HG21 . 19382 1 866 . 1 1 79 79 ILE HG13 H 1 1.532 0.002 . 2 . . . B 79 ILE HG13 . 19382 1 867 . 1 1 79 79 ILE HG22 H 1 0.923 0.004 . 1 . . . B 79 ILE HG22 . 19382 1 868 . 1 1 79 79 ILE HG23 H 1 0.923 0.004 . 1 . . . B 79 ILE HG23 . 19382 1 869 . 1 1 79 79 ILE HD11 H 1 0.797 0.005 . 1 . . . B 79 ILE HD11 . 19382 1 870 . 1 1 79 79 ILE HD12 H 1 0.797 0.005 . 1 . . . B 79 ILE HD12 . 19382 1 871 . 1 1 79 79 ILE HD13 H 1 0.797 0.005 . 1 . . . B 79 ILE HD13 . 19382 1 872 . 1 1 79 79 ILE CA C 13 60.777 0.042 . 1 . . . B 79 ILE CA . 19382 1 873 . 1 1 79 79 ILE CB C 13 40.554 0.008 . 1 . . . B 79 ILE CB . 19382 1 874 . 1 1 79 79 ILE CG1 C 13 24.463 0.004 . 1 . . . B 79 ILE CG1 . 19382 1 875 . 1 1 79 79 ILE CG2 C 13 18.607 0.004 . 1 . . . B 79 ILE CG2 . 19382 1 876 . 1 1 79 79 ILE CD1 C 13 14.871 0.004 . 1 . . . B 79 ILE CD1 . 19382 1 877 . 1 1 79 79 ILE N N 15 119.566 0.002 . 1 . . . B 79 ILE N . 19382 1 878 . 1 1 80 80 LYS H H 1 8.552 0.006 . 1 . . . B 80 LYS H . 19382 1 879 . 1 1 80 80 LYS HA H 1 5.003 0.003 . 1 . . . B 80 LYS HA . 19382 1 880 . 1 1 80 80 LYS HB2 H 1 1.676 0.018 . 2 . . . B 80 LYS HB2 . 19382 1 881 . 1 1 80 80 LYS HB3 H 1 1.786 0.012 . 2 . . . B 80 LYS HB3 . 19382 1 882 . 1 1 80 80 LYS HG2 H 1 1.385 0.004 . 2 . . . B 80 LYS HG2 . 19382 1 883 . 1 1 80 80 LYS HG3 H 1 1.607 0.006 . 2 . . . B 80 LYS HG3 . 19382 1 884 . 1 1 80 80 LYS HD2 H 1 1.884 0.002 . 2 . . . B 80 LYS HD2 . 19382 1 885 . 1 1 80 80 LYS HD3 H 1 1.884 0.002 . 2 . . . B 80 LYS HD3 . 19382 1 886 . 1 1 80 80 LYS HE2 H 1 3.101 0.003 . 2 . . . B 80 LYS HE2 . 19382 1 887 . 1 1 80 80 LYS HE3 H 1 3.101 0.003 . 2 . . . B 80 LYS HE3 . 19382 1 888 . 1 1 80 80 LYS CA C 13 54.328 0.031 . 1 . . . B 80 LYS CA . 19382 1 889 . 1 1 80 80 LYS CB C 13 34.970 0.015 . 1 . . . B 80 LYS CB . 19382 1 890 . 1 1 80 80 LYS CG C 13 25.298 0.028 . 1 . . . B 80 LYS CG . 19382 1 891 . 1 1 80 80 LYS CD C 13 29.403 0.018 . 1 . . . B 80 LYS CD . 19382 1 892 . 1 1 80 80 LYS CE C 13 42.298 0.008 . 1 . . . B 80 LYS CE . 19382 1 893 . 1 1 80 80 LYS N N 15 123.948 0.008 . 1 . . . B 80 LYS N . 19382 1 894 . 1 1 81 81 VAL H H 1 8.753 0.001 . 1 . . . B 81 VAL H . 19382 1 895 . 1 1 81 81 VAL HA H 1 5.300 0.002 . 1 . . . B 81 VAL HA . 19382 1 896 . 1 1 81 81 VAL HB H 1 1.997 0.002 . 1 . . . B 81 VAL HB . 19382 1 897 . 1 1 81 81 VAL HG11 H 1 0.977 0.001 . 2 . . . B 81 VAL HG11 . 19382 1 898 . 1 1 81 81 VAL HG12 H 1 0.977 0.001 . 2 . . . B 81 VAL HG12 . 19382 1 899 . 1 1 81 81 VAL HG21 H 1 1.083 0.002 . 2 . . . B 81 VAL HG21 . 19382 1 900 . 1 1 81 81 VAL HG13 H 1 0.977 0.001 . 2 . . . B 81 VAL HG13 . 19382 1 901 . 1 1 81 81 VAL HG22 H 1 1.083 0.002 . 2 . . . B 81 VAL HG22 . 19382 1 902 . 1 1 81 81 VAL HG23 H 1 1.083 0.002 . 2 . . . B 81 VAL HG23 . 19382 1 903 . 1 1 81 81 VAL CA C 13 61.023 0.004 . 1 . . . B 81 VAL CA . 19382 1 904 . 1 1 81 81 VAL CB C 13 34.701 0.004 . 1 . . . B 81 VAL CB . 19382 1 905 . 1 1 81 81 VAL CG1 C 13 23.945 0.000 . 2 . . . B 81 VAL CG1 . 19382 1 906 . 1 1 81 81 VAL CG2 C 13 22.060 0.007 . 2 . . . B 81 VAL CG2 . 19382 1 907 . 1 1 81 81 VAL N N 15 123.950 0.003 . 1 . . . B 81 VAL N . 19382 1 908 . 1 1 82 82 GLU H H 1 9.060 0.002 . 1 . . . B 82 GLU H . 19382 1 909 . 1 1 82 82 GLU HA H 1 4.753 0.009 . 1 . . . B 82 GLU HA . 19382 1 910 . 1 1 82 82 GLU HB2 H 1 2.093 0.004 . 2 . . . B 82 GLU HB2 . 19382 1 911 . 1 1 82 82 GLU HB3 H 1 2.384 0.006 . 2 . . . B 82 GLU HB3 . 19382 1 912 . 1 1 82 82 GLU HG2 H 1 2.470 0.001 . 2 . . . B 82 GLU HG2 . 19382 1 913 . 1 1 82 82 GLU HG3 H 1 2.470 0.001 . 2 . . . B 82 GLU HG3 . 19382 1 914 . 1 1 82 82 GLU CB C 13 34.973 0.053 . 1 . . . B 82 GLU CB . 19382 1 915 . 1 1 82 82 GLU CG C 13 35.860 0.035 . 1 . . . B 82 GLU CG . 19382 1 916 . 1 1 82 82 GLU N N 15 123.264 0.003 . 1 . . . B 82 GLU N . 19382 1 917 . 1 1 83 83 GLN H H 1 8.790 0.008 . 1 . . . B 83 GLN H . 19382 1 918 . 1 1 83 83 GLN HA H 1 4.338 0.006 . 1 . . . B 83 GLN HA . 19382 1 919 . 1 1 83 83 GLN HB2 H 1 2.110 0.010 . 2 . . . B 83 GLN HB2 . 19382 1 920 . 1 1 83 83 GLN HB3 H 1 2.276 0.009 . 2 . . . B 83 GLN HB3 . 19382 1 921 . 1 1 83 83 GLN HG2 H 1 2.454 0.005 . 2 . . . B 83 GLN HG2 . 19382 1 922 . 1 1 83 83 GLN HG3 H 1 2.535 0.011 . 2 . . . B 83 GLN HG3 . 19382 1 923 . 1 1 83 83 GLN HE21 H 1 7.061 0.003 . 2 . . . B 83 GLN HE21 . 19382 1 924 . 1 1 83 83 GLN HE22 H 1 7.884 0.002 . 2 . . . B 83 GLN HE22 . 19382 1 925 . 1 1 83 83 GLN CA C 13 57.364 0.056 . 1 . . . B 83 GLN CA . 19382 1 926 . 1 1 83 83 GLN CB C 13 28.986 0.021 . 1 . . . B 83 GLN CB . 19382 1 927 . 1 1 83 83 GLN CG C 13 33.653 0.039 . 1 . . . B 83 GLN CG . 19382 1 928 . 1 1 83 83 GLN N N 15 121.972 0.019 . 1 . . . B 83 GLN N . 19382 1 929 . 1 1 83 83 GLN NE2 N 15 115.590 0.019 . 1 . . . B 83 GLN NE2 . 19382 1 930 . 1 1 84 84 ALA H H 1 9.051 0.008 . 1 . . . B 84 ALA H . 19382 1 931 . 1 1 84 84 ALA HA H 1 5.276 0.036 . 1 . . . B 84 ALA HA . 19382 1 932 . 1 1 84 84 ALA HB1 H 1 1.737 0.008 . 1 . . . B 84 ALA HB1 . 19382 1 933 . 1 1 84 84 ALA HB2 H 1 1.737 0.008 . 1 . . . B 84 ALA HB2 . 19382 1 934 . 1 1 84 84 ALA HB3 H 1 1.737 0.008 . 1 . . . B 84 ALA HB3 . 19382 1 935 . 1 1 84 84 ALA CA C 13 52.862 0.039 . 1 . . . B 84 ALA CA . 19382 1 936 . 1 1 84 84 ALA CB C 13 19.761 0.005 . 1 . . . B 84 ALA CB . 19382 1 937 . 1 1 84 84 ALA N N 15 129.351 0.004 . 1 . . . B 84 ALA N . 19382 1 938 . 1 1 85 85 THR HA H 1 4.767 0.006 . 1 . . . B 85 THR HA . 19382 1 939 . 1 1 85 85 THR HB H 1 4.224 0.005 . 1 . . . B 85 THR HB . 19382 1 940 . 1 1 85 85 THR HG21 H 1 1.056 0.002 . 1 . . . B 85 THR HG21 . 19382 1 941 . 1 1 85 85 THR HG22 H 1 1.056 0.002 . 1 . . . B 85 THR HG22 . 19382 1 942 . 1 1 85 85 THR HG23 H 1 1.056 0.002 . 1 . . . B 85 THR HG23 . 19382 1 943 . 1 1 85 85 THR CB C 13 70.557 0.033 . 1 . . . B 85 THR CB . 19382 1 944 . 1 1 85 85 THR CG2 C 13 21.471 0.008 . 1 . . . B 85 THR CG2 . 19382 1 945 . 1 1 86 86 LYS H H 1 8.517 0.017 . 1 . . . B 86 LYS H . 19382 1 946 . 1 1 86 86 LYS HA H 1 4.460 0.015 . 1 . . . B 86 LYS HA . 19382 1 947 . 1 1 86 86 LYS HB2 H 1 1.618 0.005 . 2 . . . B 86 LYS HB2 . 19382 1 948 . 1 1 86 86 LYS HB3 H 1 1.730 0.005 . 2 . . . B 86 LYS HB3 . 19382 1 949 . 1 1 86 86 LYS HG2 H 1 1.299 0.019 . 2 . . . B 86 LYS HG2 . 19382 1 950 . 1 1 86 86 LYS HG3 H 1 1.361 0.009 . 2 . . . B 86 LYS HG3 . 19382 1 951 . 1 1 86 86 LYS HD2 H 1 1.638 0.009 . 2 . . . B 86 LYS HD2 . 19382 1 952 . 1 1 86 86 LYS HD3 H 1 1.638 0.009 . 2 . . . B 86 LYS HD3 . 19382 1 953 . 1 1 86 86 LYS HE2 H 1 2.993 0.006 . 2 . . . B 86 LYS HE2 . 19382 1 954 . 1 1 86 86 LYS HE3 H 1 2.993 0.006 . 2 . . . B 86 LYS HE3 . 19382 1 955 . 1 1 86 86 LYS CB C 13 32.313 0.014 . 1 . . . B 86 LYS CB . 19382 1 956 . 1 1 86 86 LYS CG C 13 25.208 0.023 . 1 . . . B 86 LYS CG . 19382 1 957 . 1 1 86 86 LYS CD C 13 29.392 0.061 . 1 . . . B 86 LYS CD . 19382 1 958 . 1 1 86 86 LYS CE C 13 42.190 0.012 . 1 . . . B 86 LYS CE . 19382 1 959 . 1 1 86 86 LYS N N 15 120.733 0.034 . 1 . . . B 86 LYS N . 19382 1 960 . 1 1 87 87 PRO HA H 1 4.433 0.002 . 1 . . . B 87 PRO HA . 19382 1 961 . 1 1 87 87 PRO HB2 H 1 1.373 0.008 . 2 . . . B 87 PRO HB2 . 19382 1 962 . 1 1 87 87 PRO HB3 H 1 1.826 0.006 . 2 . . . B 87 PRO HB3 . 19382 1 963 . 1 1 87 87 PRO HG2 H 1 1.594 0.007 . 2 . . . B 87 PRO HG2 . 19382 1 964 . 1 1 87 87 PRO HG3 H 1 1.594 0.007 . 2 . . . B 87 PRO HG3 . 19382 1 965 . 1 1 87 87 PRO HD2 H 1 3.355 0.002 . 2 . . . B 87 PRO HD2 . 19382 1 966 . 1 1 87 87 PRO HD3 H 1 3.466 0.006 . 2 . . . B 87 PRO HD3 . 19382 1 967 . 1 1 87 87 PRO CA C 13 63.096 0.039 . 1 . . . B 87 PRO CA . 19382 1 968 . 1 1 87 87 PRO CB C 13 32.118 0.029 . 1 . . . B 87 PRO CB . 19382 1 969 . 1 1 87 87 PRO CG C 13 26.913 0.022 . 1 . . . B 87 PRO CG . 19382 1 970 . 1 1 87 87 PRO CD C 13 50.157 0.006 . 1 . . . B 87 PRO CD . 19382 1 971 . 1 1 88 88 SER H H 1 8.508 0.017 . 1 . . . B 88 SER H . 19382 1 972 . 1 1 88 88 SER HA H 1 4.262 0.005 . 1 . . . B 88 SER HA . 19382 1 973 . 1 1 88 88 SER HB2 H 1 3.795 0.008 . 2 . . . B 88 SER HB2 . 19382 1 974 . 1 1 88 88 SER HB3 H 1 3.815 0.006 . 2 . . . B 88 SER HB3 . 19382 1 975 . 1 1 88 88 SER CA C 13 59.204 0.000 . 1 . . . B 88 SER CA . 19382 1 976 . 1 1 88 88 SER CB C 13 63.891 0.010 . 1 . . . B 88 SER CB . 19382 1 977 . 1 1 88 88 SER N N 15 117.293 0.007 . 1 . . . B 88 SER N . 19382 1 978 . 1 1 89 89 PHE H H 1 7.930 0.020 . 1 . . . B 89 PHE H . 19382 1 979 . 1 1 89 89 PHE HA H 1 4.643 0.010 . 1 . . . B 89 PHE HA . 19382 1 980 . 1 1 89 89 PHE HB2 H 1 3.026 0.007 . 2 . . . B 89 PHE HB2 . 19382 1 981 . 1 1 89 89 PHE HB3 H 1 3.026 0.007 . 2 . . . B 89 PHE HB3 . 19382 1 982 . 1 1 89 89 PHE HD1 H 1 7.048 0.003 . 3 . . . B 89 PHE HD1 . 19382 1 983 . 1 1 89 89 PHE HD2 H 1 7.048 0.003 . 3 . . . B 89 PHE HD2 . 19382 1 984 . 1 1 89 89 PHE HE1 H 1 7.186 0.010 . 3 . . . B 89 PHE HE1 . 19382 1 985 . 1 1 89 89 PHE HE2 H 1 7.186 0.010 . 3 . . . B 89 PHE HE2 . 19382 1 986 . 1 1 89 89 PHE HZ H 1 7.148 0.002 . 1 . . . B 89 PHE HZ . 19382 1 987 . 1 1 89 89 PHE CA C 13 57.469 0.000 . 1 . . . B 89 PHE CA . 19382 1 988 . 1 1 89 89 PHE CB C 13 39.240 0.000 . 1 . . . B 89 PHE CB . 19382 1 989 . 1 1 89 89 PHE CD1 C 13 131.685 0.042 . 3 . . . B 89 PHE CD1 . 19382 1 990 . 1 1 89 89 PHE CE1 C 13 131.414 0.053 . 3 . . . B 89 PHE CE1 . 19382 1 991 . 1 1 89 89 PHE CZ C 13 129.720 0.037 . 1 . . . B 89 PHE CZ . 19382 1 992 . 1 1 89 89 PHE N N 15 120.710 0.000 . 1 . . . B 89 PHE N . 19382 1 993 . 1 1 90 90 GLU H H 1 8.099 0.013 . 1 . . . B 90 GLU H . 19382 1 994 . 1 1 90 90 GLU HA H 1 4.287 0.002 . 1 . . . B 90 GLU HA . 19382 1 995 . 1 1 90 90 GLU HB2 H 1 1.850 0.004 . 2 . . . B 90 GLU HB2 . 19382 1 996 . 1 1 90 90 GLU HB3 H 1 2.037 0.003 . 2 . . . B 90 GLU HB3 . 19382 1 997 . 1 1 90 90 GLU HG2 H 1 2.162 0.004 . 2 . . . B 90 GLU HG2 . 19382 1 998 . 1 1 90 90 GLU HG3 H 1 2.162 0.004 . 2 . . . B 90 GLU HG3 . 19382 1 999 . 1 1 90 90 GLU CA C 13 56.701 0.021 . 1 . . . B 90 GLU CA . 19382 1 1000 . 1 1 90 90 GLU CB C 13 30.383 0.029 . 1 . . . B 90 GLU CB . 19382 1 1001 . 1 1 90 90 GLU CG C 13 36.187 0.013 . 1 . . . B 90 GLU CG . 19382 1 1002 . 1 1 90 90 GLU N N 15 121.794 0.008 . 1 . . . B 90 GLU N . 19382 1 1003 . 1 1 91 91 SER H H 1 8.194 0.003 . 1 . . . B 91 SER H . 19382 1 1004 . 1 1 91 91 SER HA H 1 4.419 0.005 . 1 . . . B 91 SER HA . 19382 1 1005 . 1 1 91 91 SER HB2 H 1 3.911 0.012 . 2 . . . B 91 SER HB2 . 19382 1 1006 . 1 1 91 91 SER HB3 H 1 3.937 0.010 . 2 . . . B 91 SER HB3 . 19382 1 1007 . 1 1 91 91 SER CA C 13 59.090 0.059 . 1 . . . B 91 SER CA . 19382 1 1008 . 1 1 91 91 SER CB C 13 64.011 0.032 . 1 . . . B 91 SER CB . 19382 1 1009 . 1 1 91 91 SER N N 15 116.607 0.006 . 1 . . . B 91 SER N . 19382 1 1010 . 1 1 92 92 GLY H H 1 8.395 0.004 . 1 . . . B 92 GLY H . 19382 1 1011 . 1 1 92 92 GLY HA2 H 1 4.024 0.006 . 2 . . . B 92 GLY HA2 . 19382 1 1012 . 1 1 92 92 GLY CA C 13 45.493 0.011 . 1 . . . B 92 GLY CA . 19382 1 1013 . 1 1 92 92 GLY N N 15 110.531 0.000 . 1 . . . B 92 GLY N . 19382 1 1014 . 1 1 93 93 ARG H H 1 8.046 0.003 . 1 . . . B 93 ARG H . 19382 1 1015 . 1 1 93 93 ARG HA H 1 4.398 0.007 . 1 . . . B 93 ARG HA . 19382 1 1016 . 1 1 93 93 ARG HB2 H 1 1.899 0.007 . 2 . . . B 93 ARG HB2 . 19382 1 1017 . 1 1 93 93 ARG HB3 H 1 1.899 0.007 . 2 . . . B 93 ARG HB3 . 19382 1 1018 . 1 1 93 93 ARG HG2 H 1 1.652 0.008 . 2 . . . B 93 ARG HG2 . 19382 1 1019 . 1 1 93 93 ARG HG3 H 1 1.652 0.008 . 2 . . . B 93 ARG HG3 . 19382 1 1020 . 1 1 93 93 ARG HD2 H 1 3.230 0.010 . 2 . . . B 93 ARG HD2 . 19382 1 1021 . 1 1 93 93 ARG HD3 H 1 3.230 0.010 . 2 . . . B 93 ARG HD3 . 19382 1 1022 . 1 1 93 93 ARG CA C 13 56.203 0.012 . 1 . . . B 93 ARG CA . 19382 1 1023 . 1 1 93 93 ARG CB C 13 31.056 0.025 . 1 . . . B 93 ARG CB . 19382 1 1024 . 1 1 93 93 ARG CG C 13 27.184 0.003 . 1 . . . B 93 ARG CG . 19382 1 1025 . 1 1 93 93 ARG CD C 13 43.557 0.000 . 1 . . . B 93 ARG CD . 19382 1 1026 . 1 1 93 93 ARG N N 15 120.515 0.021 . 1 . . . B 93 ARG N . 19382 1 1027 . 1 1 94 94 ARG H H 1 8.403 0.001 . 1 . . . B 94 ARG H . 19382 1 1028 . 1 1 94 94 ARG HA H 1 4.408 0.005 . 1 . . . B 94 ARG HA . 19382 1 1029 . 1 1 94 94 ARG HB2 H 1 1.802 0.005 . 2 . . . B 94 ARG HB2 . 19382 1 1030 . 1 1 94 94 ARG HB3 H 1 1.802 0.005 . 2 . . . B 94 ARG HB3 . 19382 1 1031 . 1 1 94 94 ARG CB C 13 31.051 0.042 . 1 . . . B 94 ARG CB . 19382 1 1032 . 1 1 94 94 ARG N N 15 123.050 0.004 . 1 . . . B 94 ARG N . 19382 1 1033 . 1 1 95 95 GLY H H 1 7.971 0.005 . 1 . . . B 95 GLY H . 19382 1 1034 . 1 1 95 95 GLY HA2 H 1 3.811 0.003 . 2 . . . B 95 GLY HA2 . 19382 1 1035 . 1 1 95 95 GLY CA C 13 46.089 0.000 . 1 . . . B 95 GLY CA . 19382 1 1036 . 1 1 95 95 GLY N N 15 116.405 0.000 . 1 . . . B 95 GLY N . 19382 1 1037 . 2 2 1 1 A H1' H 1 6.153 0.006 . 1 . . . A 1 . H1' . 19382 1 1038 . 2 2 1 1 A H2 H 1 8.275 0.000 . 1 . . . A 1 . H2 . 19382 1 1039 . 2 2 1 1 A H2' H 1 4.960 0.007 . 2 . . . A 1 . H2' . 19382 1 1040 . 2 2 1 1 A H3' H 1 4.823 0.007 . 1 . . . A 1 . H3' . 19382 1 1041 . 2 2 1 1 A H4' H 1 4.534 0.000 . 1 . . . A 1 . H4' . 19382 1 1042 . 2 2 1 1 A H5'' H 1 4.263 0.000 . 2 . . . A 1 . H5'' . 19382 1 1043 . 2 2 1 1 A H5' H 1 4.342 0.000 . 2 . . . A 1 . H5' . 19382 1 1044 . 2 2 1 1 A H8 H 1 8.410 0.000 . 1 . . . A 1 . H8 . 19382 1 1045 . 2 2 2 2 U H1' H 1 5.992 0.004 . 1 . . . A 2 . H1' . 19382 1 1046 . 2 2 2 2 U H2' H 1 4.453 0.002 . 1 . . . A 2 . H2' . 19382 1 1047 . 2 2 2 2 U H4' H 1 4.546 0.000 . 1 . . . A 2 . H4' . 19382 1 1048 . 2 2 2 2 U H5' H 1 4.257 0.000 . 1 . . . A 2 . H5" . 19382 1 1049 . 2 2 2 2 U H5 H 1 4.310 0.000 . 2 . . . A 2 . H5' . 19382 1 1050 . 2 2 2 2 U H6 H 1 7.890 0.011 . 1 . . . A 2 . H6 . 19382 1 1051 . 2 2 3 3 C H1' H 1 6.018 0.020 . 1 . . . A 3 . H1' . 19382 1 1052 . 2 2 3 3 C H2' H 1 5.068 0.007 . 2 . . . A 3 . H2' . 19382 1 1053 . 2 2 3 3 C H3' H 1 4.440 0.000 . 1 . . . A 3 . H3' . 19382 1 1054 . 2 2 3 3 C H4' H 1 4.544 0.001 . 1 . . . A 3 . H4' . 19382 1 1055 . 2 2 3 3 C H5' H 1 4.259 0.005 . 1 . . . A 3 . H5" . 19382 1 1056 . 2 2 3 3 C H5 H 1 4.345 0.006 . 2 . . . A 3 . H5' . 19382 1 1057 . 2 2 3 3 C H6 H 1 7.702 0.000 . 1 . . . A 3 . H6 . 19382 1 1058 . 2 2 4 4 A H1' H 1 6.385 0.004 . 1 . . . A 4 . H1' . 19382 1 1059 . 2 2 4 4 A H2' H 1 5.084 0.002 . 2 . . . A 4 . H2' . 19382 1 1060 . 2 2 4 4 A H3' H 1 4.888 0.003 . 1 . . . A 4 . H3' . 19382 1 1061 . 2 2 4 4 A H4' H 1 4.228 0.002 . 1 . . . A 4 . H4' . 19382 1 1062 . 2 2 4 4 A H8 H 1 8.621 0.003 . 1 . . . A 4 . H8 . 19382 1 1063 . 2 2 5 5 A H1' H 1 6.334 0.006 . 1 . . . A 5 . H1' . 19382 1 1064 . 2 2 5 5 A H2' H 1 4.668 0.002 . 2 . . . A 5 . H2' . 19382 1 1065 . 2 2 5 5 A H3' H 1 4.961 0.002 . 1 . . . A 5 . H3' . 19382 1 1066 . 2 2 5 5 A H4' H 1 4.866 0.000 . 1 . . . A 5 . H4' . 19382 1 1067 . 2 2 5 5 A H8 H 1 8.819 0.009 . 1 . . . A 5 . H8 . 19382 1 1068 . 2 2 6 6 A H1' H 1 6.067 0.001 . 1 . . . A 6 . H1' . 19382 1 1069 . 2 2 6 6 A H2 H 1 8.236 0.001 . 1 . . . A 6 . H2 . 19382 1 1070 . 2 2 6 6 A H2' H 1 4.670 0.001 . 2 . . . A 6 . H2' . 19382 1 1071 . 2 2 6 6 A H3' H 1 4.587 0.001 . 1 . . . A 6 . H3' . 19382 1 1072 . 2 2 6 6 A H4' H 1 4.464 0.001 . 1 . . . A 6 . H4' . 19382 1 1073 . 2 2 6 6 A H5'' H 1 4.339 0.004 . 2 . . . A 6 . H5'' . 19382 1 1074 . 2 2 6 6 A H5' H 1 4.420 0.000 . 2 . . . A 6 . H5' . 19382 1 1075 . 2 2 6 6 A H8 H 1 8.487 0.002 . 1 . . . A 6 . H8 . 19382 1 stop_ save_