data_19671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19671 _Entry.Title ; 3rC34Y, variant of Imunoglobulin light-chain of lambda 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-10 _Entry.Accession_date 2013-12-10 _Entry.Last_release_date 2015-04-15 _Entry.Original_release_date 2015-04-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Paloma Gil-Rodriguez . C. . 19671 2 Carlos Amero . D. . 19671 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'UNIVERSIDAD AUTONOMA DEL ESTADO DE MORELOS' . 19671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 19671 '15N chemical shifts' 91 19671 '1H chemical shifts' 458 19671 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-04-15 . original BMRB . 19671 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19641 '3rCWP7D, variant of Imunoglobulin light-chain of lambda 3' 19671 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 19671 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24816896 _Citation.Full_citation . _Citation.Title ; (1)H, (15)N and (13)C resonance assignments for 3rC and 3rCWP: amyloidogenic variants of imunoglobulin lambda 3 light-chain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _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 139 _Citation.Page_last 142 _Citation.Year 2015 _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 Paloma Gil-Rodriguez . C. . 19671 1 2 Carlos Amero . D. . 19671 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19671 _Assembly.ID 1 _Assembly.Name 3rC34Y _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 3rC34Y 1 $3rC34Y A . yes native no no . . . 19671 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 3rC34Y 1 CYS 22 22 SG . 1 3rC34Y 1 CYS 87 87 SG . 3rC34Y 22 CYS SG . 3rC34Y 87 CYS SG 19671 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4AIX . . X-ray 1.8 . . 19671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_3rC34Y _Entity.Sf_category entity _Entity.Sf_framecode 3rC34Y _Entity.Entry_ID 19671 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 3rC34Y _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SYELTQPPSVSVSPGQTASI TCSGDKLGDKYAYWYQQKPG QSPVLVIYQDSKRPSGIPER FSGSNSGNTATLTISGTQAM DEADYYCQAWDSSTAVVFGG GTKLTVL ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 3rJL2 _Entity.Mutation C35Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 4AIX . . . . . . . . . . . . . . . . 19671 1 2 no BMRB 19641 . 3rCWP7D . . . . . 100.00 107 97.20 97.20 1.73e-66 . . . . 19671 1 3 no PDB 4AIX . "Crystallographic Structure Of An Amyloidogenic Variant, 3rc34y, Of The Germinal Line Lambda 3" . . . . . 100.00 107 100.00 100.00 3.57e-70 . . . . 19671 1 4 no PDB 4AJ0 . "Crystallographic Structure Of An Amyloidogenic Variant, 3rcw, Of The Germinal Line Lambda 3" . . . . . 100.00 107 99.07 99.07 1.04e-68 . . . . 19671 1 5 no DBJ BAA20022 . "V2-1 [Homo sapiens]" . . . . . 88.79 95 98.95 98.95 8.43e-60 . . . . 19671 1 6 no DBJ BAC01665 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 107 98.13 98.13 1.89e-66 . . . . 19671 1 7 no DBJ BAC01796 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 263 97.20 97.20 3.79e-64 . . . . 19671 1 8 no EMBL CAA12203 . "IgM light chain [Homo sapiens]" . . . . . 100.00 108 98.13 98.13 3.40e-66 . . . . 19671 1 9 no EMBL CAA80216 . "immunoglobulin lambda chain [Homo sapiens]" . . . . . 88.79 95 98.95 98.95 8.43e-60 . . . . 19671 1 10 no EMBL CAA85623 . "immunoglobulin lambda chain variable region [Homo sapiens]" . . . . . 99.07 121 97.17 97.17 6.39e-65 . . . . 19671 1 11 no EMBL CAC10553 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 96.26 106 98.06 98.06 2.34e-63 . . . . 19671 1 12 no EMBL CAC10914 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 75.70 82 97.53 97.53 5.96e-49 . . . . 19671 1 13 no GB AAA19492 . "immunoglobulin lambda light chain V-J12 [Homo sapiens]" . . . . . 100.00 107 98.13 98.13 3.63e-66 . . . . 19671 1 14 no GB AAB00975 . "immunoglobulin light chain V region, partial [Homo sapiens]" . . . . . 88.79 110 98.95 98.95 9.79e-60 . . . . 19671 1 15 no GB AAC16875 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 100.00 106 98.13 98.13 2.68e-66 . . . . 19671 1 16 no GB AAD01813 . "lambda III.1 light chain variable region [Homo sapiens]" . . . . . 88.79 98 98.95 98.95 7.02e-60 . . . . 19671 1 17 no GB AAD01814 . "lambda III.1 light chain variable region, partial [Homo sapiens]" . . . . . 88.79 98 98.95 98.95 7.02e-60 . . . . 19671 1 18 no PIR S16440 . "Ig lambda chain - human" . . . . . 88.79 114 98.95 98.95 1.69e-59 . . . . 19671 1 19 no PIR S36065 . "Ig lambda chain - human (fragment)" . . . . . 88.79 95 98.95 98.95 8.43e-60 . . . . 19671 1 20 no PRF 2001180C . "anti-lamin B antibody" . . . . . 88.79 95 98.95 98.95 8.43e-60 . . . . 19671 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 1 SER . 19671 1 2 2 TYR . 19671 1 3 3 GLU . 19671 1 4 4 LEU . 19671 1 5 5 THR . 19671 1 6 6 GLN . 19671 1 7 7 PRO . 19671 1 8 8 PRO . 19671 1 9 9 SER . 19671 1 10 10 VAL . 19671 1 11 11 SER . 19671 1 12 12 VAL . 19671 1 13 13 SER . 19671 1 14 14 PRO . 19671 1 15 15 GLY . 19671 1 16 16 GLN . 19671 1 17 17 THR . 19671 1 18 18 ALA . 19671 1 19 19 SER . 19671 1 20 20 ILE . 19671 1 21 21 THR . 19671 1 22 22 CYS . 19671 1 23 23 SER . 19671 1 24 24 GLY . 19671 1 25 25 ASP . 19671 1 26 26 LYS . 19671 1 27 27 LEU . 19671 1 28 28 GLY . 19671 1 29 29 ASP . 19671 1 30 30 LYS . 19671 1 31 31 TYR . 19671 1 32 32 ALA . 19671 1 33 33 TYR . 19671 1 34 34 TRP . 19671 1 35 35 TYR . 19671 1 36 36 GLN . 19671 1 37 37 GLN . 19671 1 38 38 LYS . 19671 1 39 39 PRO . 19671 1 40 40 GLY . 19671 1 41 41 GLN . 19671 1 42 42 SER . 19671 1 43 43 PRO . 19671 1 44 44 VAL . 19671 1 45 45 LEU . 19671 1 46 46 VAL . 19671 1 47 47 ILE . 19671 1 48 48 TYR . 19671 1 49 49 GLN . 19671 1 50 50 ASP . 19671 1 51 51 SER . 19671 1 52 52 LYS . 19671 1 53 53 ARG . 19671 1 54 54 PRO . 19671 1 55 55 SER . 19671 1 56 56 GLY . 19671 1 57 57 ILE . 19671 1 58 58 PRO . 19671 1 59 59 GLU . 19671 1 60 60 ARG . 19671 1 61 61 PHE . 19671 1 62 62 SER . 19671 1 63 63 GLY . 19671 1 64 64 SER . 19671 1 65 65 ASN . 19671 1 66 66 SER . 19671 1 67 67 GLY . 19671 1 68 68 ASN . 19671 1 69 69 THR . 19671 1 70 70 ALA . 19671 1 71 71 THR . 19671 1 72 72 LEU . 19671 1 73 73 THR . 19671 1 74 74 ILE . 19671 1 75 75 SER . 19671 1 76 76 GLY . 19671 1 77 77 THR . 19671 1 78 78 GLN . 19671 1 79 79 ALA . 19671 1 80 80 MET . 19671 1 81 81 ASP . 19671 1 82 82 GLU . 19671 1 83 83 ALA . 19671 1 84 84 ASP . 19671 1 85 85 TYR . 19671 1 86 86 TYR . 19671 1 87 87 CYS . 19671 1 88 88 GLN . 19671 1 89 89 ALA . 19671 1 90 90 TRP . 19671 1 91 91 ASP . 19671 1 92 92 SER . 19671 1 93 93 SER . 19671 1 94 94 THR . 19671 1 95 95 ALA . 19671 1 96 96 VAL . 19671 1 97 97 VAL . 19671 1 98 98 PHE . 19671 1 99 99 GLY . 19671 1 100 100 GLY . 19671 1 101 101 GLY . 19671 1 102 102 THR . 19671 1 103 103 LYS . 19671 1 104 104 LEU . 19671 1 105 105 THR . 19671 1 106 106 VAL . 19671 1 107 107 LEU . 19671 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 . SER 1 1 19671 1 . TYR 2 2 19671 1 . GLU 3 3 19671 1 . LEU 4 4 19671 1 . THR 5 5 19671 1 . GLN 6 6 19671 1 . PRO 7 7 19671 1 . PRO 8 8 19671 1 . SER 9 9 19671 1 . VAL 10 10 19671 1 . SER 11 11 19671 1 . VAL 12 12 19671 1 . SER 13 13 19671 1 . PRO 14 14 19671 1 . GLY 15 15 19671 1 . GLN 16 16 19671 1 . THR 17 17 19671 1 . ALA 18 18 19671 1 . SER 19 19 19671 1 . ILE 20 20 19671 1 . THR 21 21 19671 1 . CYS 22 22 19671 1 . SER 23 23 19671 1 . GLY 24 24 19671 1 . ASP 25 25 19671 1 . LYS 26 26 19671 1 . LEU 27 27 19671 1 . GLY 28 28 19671 1 . ASP 29 29 19671 1 . LYS 30 30 19671 1 . TYR 31 31 19671 1 . ALA 32 32 19671 1 . TYR 33 33 19671 1 . TRP 34 34 19671 1 . TYR 35 35 19671 1 . GLN 36 36 19671 1 . GLN 37 37 19671 1 . LYS 38 38 19671 1 . PRO 39 39 19671 1 . GLY 40 40 19671 1 . GLN 41 41 19671 1 . SER 42 42 19671 1 . PRO 43 43 19671 1 . VAL 44 44 19671 1 . LEU 45 45 19671 1 . VAL 46 46 19671 1 . ILE 47 47 19671 1 . TYR 48 48 19671 1 . GLN 49 49 19671 1 . ASP 50 50 19671 1 . SER 51 51 19671 1 . LYS 52 52 19671 1 . ARG 53 53 19671 1 . PRO 54 54 19671 1 . SER 55 55 19671 1 . GLY 56 56 19671 1 . ILE 57 57 19671 1 . PRO 58 58 19671 1 . GLU 59 59 19671 1 . ARG 60 60 19671 1 . PHE 61 61 19671 1 . SER 62 62 19671 1 . GLY 63 63 19671 1 . SER 64 64 19671 1 . ASN 65 65 19671 1 . SER 66 66 19671 1 . GLY 67 67 19671 1 . ASN 68 68 19671 1 . THR 69 69 19671 1 . ALA 70 70 19671 1 . THR 71 71 19671 1 . LEU 72 72 19671 1 . THR 73 73 19671 1 . ILE 74 74 19671 1 . SER 75 75 19671 1 . GLY 76 76 19671 1 . THR 77 77 19671 1 . GLN 78 78 19671 1 . ALA 79 79 19671 1 . MET 80 80 19671 1 . ASP 81 81 19671 1 . GLU 82 82 19671 1 . ALA 83 83 19671 1 . ASP 84 84 19671 1 . TYR 85 85 19671 1 . TYR 86 86 19671 1 . CYS 87 87 19671 1 . GLN 88 88 19671 1 . ALA 89 89 19671 1 . TRP 90 90 19671 1 . ASP 91 91 19671 1 . SER 92 92 19671 1 . SER 93 93 19671 1 . THR 94 94 19671 1 . ALA 95 95 19671 1 . VAL 96 96 19671 1 . VAL 97 97 19671 1 . PHE 98 98 19671 1 . GLY 99 99 19671 1 . GLY 100 100 19671 1 . GLY 101 101 19671 1 . THR 102 102 19671 1 . LYS 103 103 19671 1 . LEU 104 104 19671 1 . THR 105 105 19671 1 . VAL 106 106 19671 1 . LEU 107 107 19671 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19671 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $3rC34Y . 9606 plasmid . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 19671 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 19671 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $3rC34Y . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-22b . . . 19671 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19671 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N pH 6' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19671 1 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19671 1 3 3rC34Y [U-15N] . . 1 $3rC34Y . . 1 . . mM 0.3 . . . 19671 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19671 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19671 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19671 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N 13C pH 6' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19671 2 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19671 2 3 3rC34Y '[U-13C; U-15N]' . . 1 $3rC34Y . . 1 . . mM 0.3 . . . 19671 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19671 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19671 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19671 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-13C pH 8' _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 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19671 3 2 3rC34Y '[U-13C; U-15N]' . . 1 $3rC34Y . . 1 . . mM 0.3 . . . 19671 3 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 19671 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19671 3 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19671 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19671 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 19671 1 pH 6 . pH 19671 1 pressure 1 . atm 19671 1 temperature 298 . K 19671 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19671 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 19671 2 pH 6 . pH 19671 2 pressure 1 . atm 19671 2 temperature 303 . K 19671 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 19671 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 19671 3 pH 8 . pH 19671 3 pressure 1 . atm 19671 3 temperature 298 . K 19671 3 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19671 _Software.ID 1 _Software.Name NMRPipe _Software.Version 7.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19671 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19671 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19671 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19671 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19671 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19671 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19671 _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 Varian INOVA . 700 'with cryo probe' . . 19671 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 19671 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 5 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 6 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 13 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 14 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 15 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 16 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19671 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19671 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19671 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19671 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19671 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19671 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 19671 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19671 1 8 '3D HNCACB' . . . 19671 1 9 '3D HNCA' . . . 19671 1 10 '3D HCCH-TOCSY' . . . 19671 1 11 '3D 1H-15N NOESY' . . . 19671 1 12 '3D HBHA(CO)NH' . . . 19671 1 14 '3D HNCO' . . . 19671 1 15 '3D C(CO)NH' . . . 19671 1 16 '3D 1H-15N TOCSY' . . . 19671 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 TYR C C 13 176.5 0.3 . 1 . . . . 2 TYR C . 19671 1 2 . 1 1 2 2 TYR CA C 13 63.5 0.3 . 1 . . . . 2 TYR CA . 19671 1 3 . 1 1 2 2 TYR CB C 13 33.4 0.3 . 1 . . . . 2 TYR CB . 19671 1 4 . 1 1 3 3 GLU H H 1 8.79 0.02 . 1 . . . . 3 GLU H . 19671 1 5 . 1 1 3 3 GLU HA H 1 4.77 0.02 . 1 . . . . 3 GLU HA . 19671 1 6 . 1 1 3 3 GLU CA C 13 58.3 0.3 . 1 . . . . 3 GLU CA . 19671 1 7 . 1 1 3 3 GLU CB C 13 29.1 0.3 . 1 . . . . 3 GLU CB . 19671 1 8 . 1 1 3 3 GLU N N 15 119.1 0.3 . 1 . . . . 3 GLU N . 19671 1 9 . 1 1 5 5 THR H H 1 9.51 0.02 . 1 . . . . 5 THR H . 19671 1 10 . 1 1 5 5 THR HA H 1 4.51 0.02 . 1 . . . . 5 THR HA . 19671 1 11 . 1 1 5 5 THR HB H 1 4.08 0.02 . 1 . . . . 5 THR HB . 19671 1 12 . 1 1 5 5 THR HG21 H 1 1.2 0.02 . 1 . . . . 5 THR HG2 . 19671 1 13 . 1 1 5 5 THR HG22 H 1 1.2 0.02 . 1 . . . . 5 THR HG2 . 19671 1 14 . 1 1 5 5 THR HG23 H 1 1.2 0.02 . 1 . . . . 5 THR HG2 . 19671 1 15 . 1 1 5 5 THR C C 13 174.5 0.3 . 1 . . . . 5 THR C . 19671 1 16 . 1 1 5 5 THR CA C 13 62.7 0.3 . 1 . . . . 5 THR CA . 19671 1 17 . 1 1 5 5 THR CB C 13 69.9 0.3 . 1 . . . . 5 THR CB . 19671 1 18 . 1 1 5 5 THR CG2 C 13 21.6 0.3 . 1 . . . . 5 THR CG2 . 19671 1 19 . 1 1 5 5 THR N N 15 118.1 0.3 . 1 . . . . 5 THR N . 19671 1 20 . 1 1 6 6 GLN H H 1 9 0.02 . 1 . . . . 6 GLN H . 19671 1 21 . 1 1 6 6 GLN HA H 1 4.8 0.02 . 1 . . . . 6 GLN HA . 19671 1 22 . 1 1 6 6 GLN CA C 13 52.5 0.3 . 1 . . . . 6 GLN CA . 19671 1 23 . 1 1 6 6 GLN CB C 13 31.9 0.3 . 1 . . . . 6 GLN CB . 19671 1 24 . 1 1 6 6 GLN N N 15 127.9 0.3 . 1 . . . . 6 GLN N . 19671 1 25 . 1 1 8 8 PRO HA H 1 4.58 0.02 . 1 . . . . 8 PRO HA . 19671 1 26 . 1 1 8 8 PRO HB2 H 1 2.01 0.02 . 2 . . . . 8 PRO HB1 . 19671 1 27 . 1 1 8 8 PRO HB3 H 1 2.45 0.02 . 2 . . . . 8 PRO HB2 . 19671 1 28 . 1 1 8 8 PRO C C 13 178.3 0.3 . 1 . . . . 8 PRO C . 19671 1 29 . 1 1 8 8 PRO CA C 13 65.1 0.3 . 1 . . . . 8 PRO CA . 19671 1 30 . 1 1 8 8 PRO CB C 13 31.9 0.3 . 1 . . . . 8 PRO CB . 19671 1 31 . 1 1 8 8 PRO CG C 13 27.7 0.3 . 1 . . . . 8 PRO CG . 19671 1 32 . 1 1 9 9 SER H H 1 7.68 0.02 . 1 . . . . 9 SER H . 19671 1 33 . 1 1 9 9 SER HA H 1 5.39 0.02 . 1 . . . . 9 SER HA . 19671 1 34 . 1 1 9 9 SER HB2 H 1 3.89 0.02 . 2 . . . . 9 SER HB1 . 19671 1 35 . 1 1 9 9 SER HB3 H 1 3.81 0.02 . 2 . . . . 9 SER HB2 . 19671 1 36 . 1 1 9 9 SER C C 13 172.7 0.3 . 1 . . . . 9 SER C . 19671 1 37 . 1 1 9 9 SER CA C 13 56.9 0.3 . 1 . . . . 9 SER CA . 19671 1 38 . 1 1 9 9 SER CB C 13 65 0.3 . 1 . . . . 9 SER CB . 19671 1 39 . 1 1 9 9 SER N N 15 109.6 0.3 . 1 . . . . 9 SER N . 19671 1 40 . 1 1 10 10 VAL H H 1 8.68 0.02 . 1 . . . . 10 VAL H . 19671 1 41 . 1 1 10 10 VAL HA H 1 4.26 0.02 . 1 . . . . 10 VAL HA . 19671 1 42 . 1 1 10 10 VAL HB H 1 1.69 0.02 . 1 . . . . 10 VAL HB . 19671 1 43 . 1 1 10 10 VAL HG11 H 1 0.86 0.02 . 1 . . . . 10 VAL HG11 . 19671 1 44 . 1 1 10 10 VAL HG12 H 1 0.86 0.02 . 1 . . . . 10 VAL HG11 . 19671 1 45 . 1 1 10 10 VAL HG13 H 1 0.86 0.02 . 1 . . . . 10 VAL HG11 . 19671 1 46 . 1 1 10 10 VAL HG21 H 1 0.94 0.02 . 1 . . . . 10 VAL HG21 . 19671 1 47 . 1 1 10 10 VAL HG22 H 1 0.94 0.02 . 1 . . . . 10 VAL HG21 . 19671 1 48 . 1 1 10 10 VAL HG23 H 1 0.94 0.02 . 1 . . . . 10 VAL HG21 . 19671 1 49 . 1 1 10 10 VAL C C 13 173.4 0.3 . 1 . . . . 10 VAL C . 19671 1 50 . 1 1 10 10 VAL CA C 13 62 0.3 . 1 . . . . 10 VAL CA . 19671 1 51 . 1 1 10 10 VAL CB C 13 36.6 0.3 . 1 . . . . 10 VAL CB . 19671 1 52 . 1 1 10 10 VAL CG1 C 13 21.2 0.3 . 1 . . . . 10 VAL CG1 . 19671 1 53 . 1 1 10 10 VAL CG2 C 13 20.3 0.3 . 1 . . . . 10 VAL CG2 . 19671 1 54 . 1 1 10 10 VAL N N 15 124.4 0.3 . 1 . . . . 10 VAL N . 19671 1 55 . 1 1 11 11 SER H H 1 8.56 0.02 . 1 . . . . 11 SER H . 19671 1 56 . 1 1 11 11 SER HA H 1 5.75 0.02 . 1 . . . . 11 SER HA . 19671 1 57 . 1 1 11 11 SER HB2 H 1 3.67 0.02 . 2 . . . . 11 SER HB1 . 19671 1 58 . 1 1 11 11 SER HB3 H 1 3.74 0.02 . 2 . . . . 11 SER HB2 . 19671 1 59 . 1 1 11 11 SER C C 13 173.8 0.3 . 1 . . . . 11 SER C . 19671 1 60 . 1 1 11 11 SER CA C 13 56.1 0.3 . 1 . . . . 11 SER CA . 19671 1 61 . 1 1 11 11 SER CB C 13 65.2 0.3 . 1 . . . . 11 SER CB . 19671 1 62 . 1 1 11 11 SER N N 15 121.3 0.3 . 1 . . . . 11 SER N . 19671 1 63 . 1 1 12 12 VAL H H 1 8.57 0.02 . 1 . . . . 12 VAL H . 19671 1 64 . 1 1 12 12 VAL HA H 1 4.68 0.02 . 1 . . . . 12 VAL HA . 19671 1 65 . 1 1 12 12 VAL HB H 1 2.13 0.02 . 1 . . . . 12 VAL HB . 19671 1 66 . 1 1 12 12 VAL HG11 H 1 0.72 0.02 . 1 . . . . 12 VAL HG11 . 19671 1 67 . 1 1 12 12 VAL HG12 H 1 0.72 0.02 . 1 . . . . 12 VAL HG11 . 19671 1 68 . 1 1 12 12 VAL HG13 H 1 0.72 0.02 . 1 . . . . 12 VAL HG11 . 19671 1 69 . 1 1 12 12 VAL HG21 H 1 0.81 0.02 . 1 . . . . 12 VAL HG21 . 19671 1 70 . 1 1 12 12 VAL HG22 H 1 0.81 0.02 . 1 . . . . 12 VAL HG21 . 19671 1 71 . 1 1 12 12 VAL HG23 H 1 0.81 0.02 . 1 . . . . 12 VAL HG21 . 19671 1 72 . 1 1 12 12 VAL C C 13 173.7 0.3 . 1 . . . . 12 VAL C . 19671 1 73 . 1 1 12 12 VAL CA C 13 58.8 0.3 . 1 . . . . 12 VAL CA . 19671 1 74 . 1 1 12 12 VAL CB C 13 36.3 0.3 . 1 . . . . 12 VAL CB . 19671 1 75 . 1 1 12 12 VAL CG1 C 13 22.1 0.3 . 1 . . . . 12 VAL CG1 . 19671 1 76 . 1 1 12 12 VAL CG2 C 13 19.4 0.3 . 1 . . . . 12 VAL CG2 . 19671 1 77 . 1 1 12 12 VAL N N 15 118.9 0.3 . 1 . . . . 12 VAL N . 19671 1 78 . 1 1 13 13 SER H H 1 8.26 0.02 . 1 . . . . 13 SER H . 19671 1 79 . 1 1 13 13 SER HA H 1 4.99 0.02 . 1 . . . . 13 SER HA . 19671 1 80 . 1 1 13 13 SER HB2 H 1 3.47 0.02 . 2 . . . . 13 SER HB1 . 19671 1 81 . 1 1 13 13 SER HB3 H 1 3.85 0.02 . 2 . . . . 13 SER HB2 . 19671 1 82 . 1 1 13 13 SER CA C 13 56.8 0.3 . 1 . . . . 13 SER CA . 19671 1 83 . 1 1 13 13 SER CB C 13 62.4 0.3 . 1 . . . . 13 SER CB . 19671 1 84 . 1 1 13 13 SER N N 15 118.3 0.3 . 1 . . . . 13 SER N . 19671 1 85 . 1 1 14 14 PRO HA H 1 4 0.02 . 1 . . . . 14 PRO HA . 19671 1 86 . 1 1 14 14 PRO HB2 H 1 1.84 0.02 . 2 . . . . 14 PRO HB1 . 19671 1 87 . 1 1 14 14 PRO HB3 H 1 2.11 0.02 . 2 . . . . 14 PRO HB2 . 19671 1 88 . 1 1 14 14 PRO C C 13 178 0.3 . 1 . . . . 14 PRO C . 19671 1 89 . 1 1 14 14 PRO CA C 13 63.8 0.3 . 1 . . . . 14 PRO CA . 19671 1 90 . 1 1 14 14 PRO CB C 13 31 0.3 . 1 . . . . 14 PRO CB . 19671 1 91 . 1 1 14 14 PRO CG C 13 27.8 0.3 . 1 . . . . 14 PRO CG . 19671 1 92 . 1 1 14 14 PRO CD C 13 50.2 0.3 . 1 . . . . 14 PRO CD . 19671 1 93 . 1 1 15 15 GLY H H 1 9.74 0.02 . 1 . . . . 15 GLY H . 19671 1 94 . 1 1 15 15 GLY HA2 H 1 3.23 0.02 . 2 . . . . 15 GLY HA1 . 19671 1 95 . 1 1 15 15 GLY HA3 H 1 4.32 0.02 . 2 . . . . 15 GLY HA2 . 19671 1 96 . 1 1 15 15 GLY C C 13 174.6 0.3 . 1 . . . . 15 GLY C . 19671 1 97 . 1 1 15 15 GLY CA C 13 44.8 0.3 . 1 . . . . 15 GLY CA . 19671 1 98 . 1 1 15 15 GLY N N 15 113.5 0.3 . 1 . . . . 15 GLY N . 19671 1 99 . 1 1 16 16 GLN H H 1 7.98 0.02 . 1 . . . . 16 GLN H . 19671 1 100 . 1 1 16 16 GLN HA H 1 4.43 0.02 . 1 . . . . 16 GLN HA . 19671 1 101 . 1 1 16 16 GLN HB2 H 1 2.17 0.02 . 1 . . . . 16 GLN HB1 . 19671 1 102 . 1 1 16 16 GLN HB3 H 1 2.17 0.02 . 1 . . . . 16 GLN HB2 . 19671 1 103 . 1 1 16 16 GLN HG2 H 1 2.37 0.02 . 1 . . . . 16 GLN HG1 . 19671 1 104 . 1 1 16 16 GLN HG3 H 1 2.37 0.02 . 1 . . . . 16 GLN HG2 . 19671 1 105 . 1 1 16 16 GLN HE21 H 1 7.34 0.02 . 1 . . . . 16 GLN HE21 . 19671 1 106 . 1 1 16 16 GLN HE22 H 1 6.79 0.02 . 1 . . . . 16 GLN HE22 . 19671 1 107 . 1 1 16 16 GLN C C 13 175.7 0.3 . 1 . . . . 16 GLN C . 19671 1 108 . 1 1 16 16 GLN CA C 13 55 0.3 . 1 . . . . 16 GLN CA . 19671 1 109 . 1 1 16 16 GLN CB C 13 29.5 0.3 . 1 . . . . 16 GLN CB . 19671 1 110 . 1 1 16 16 GLN CG C 13 34.3 0.3 . 1 . . . . 16 GLN CG . 19671 1 111 . 1 1 16 16 GLN N N 15 120.7 0.3 . 1 . . . . 16 GLN N . 19671 1 112 . 1 1 16 16 GLN NE2 N 15 111.7 0.3 . 1 . . . . 16 GLN NE2 . 19671 1 113 . 1 1 17 17 THR H H 1 8.89 0.02 . 1 . . . . 17 THR H . 19671 1 114 . 1 1 17 17 THR HA H 1 4.91 0.02 . 1 . . . . 17 THR HA . 19671 1 115 . 1 1 17 17 THR HB H 1 3.925 0.02 . 1 . . . . 17 THR HB . 19671 1 116 . 1 1 17 17 THR HG21 H 1 0.79 0.02 . 1 . . . . 17 THR HG2 . 19671 1 117 . 1 1 17 17 THR HG22 H 1 0.79 0.02 . 1 . . . . 17 THR HG2 . 19671 1 118 . 1 1 17 17 THR HG23 H 1 0.79 0.02 . 1 . . . . 17 THR HG2 . 19671 1 119 . 1 1 17 17 THR C C 13 173.5 0.3 . 1 . . . . 17 THR C . 19671 1 120 . 1 1 17 17 THR CA C 13 62.4 0.3 . 1 . . . . 17 THR CA . 19671 1 121 . 1 1 17 17 THR CB C 13 69.5 0.3 . 1 . . . . 17 THR CB . 19671 1 122 . 1 1 17 17 THR CG2 C 13 21.4 0.3 . 1 . . . . 17 THR CG2 . 19671 1 123 . 1 1 17 17 THR N N 15 120.8 0.3 . 1 . . . . 17 THR N . 19671 1 124 . 1 1 18 18 ALA H H 1 9.06 0.02 . 1 . . . . 18 ALA H . 19671 1 125 . 1 1 18 18 ALA HA H 1 4.6 0.02 . 1 . . . . 18 ALA HA . 19671 1 126 . 1 1 18 18 ALA HB1 H 1 1.09 0.02 . 1 . . . . 18 ALA HB1 . 19671 1 127 . 1 1 18 18 ALA HB2 H 1 1.09 0.02 . 1 . . . . 18 ALA HB1 . 19671 1 128 . 1 1 18 18 ALA HB3 H 1 1.09 0.02 . 1 . . . . 18 ALA HB1 . 19671 1 129 . 1 1 18 18 ALA C C 13 175.2 0.3 . 1 . . . . 18 ALA C . 19671 1 130 . 1 1 18 18 ALA CA C 13 50 0.3 . 1 . . . . 18 ALA CA . 19671 1 131 . 1 1 18 18 ALA CB C 13 21.6 0.3 . 1 . . . . 18 ALA CB . 19671 1 132 . 1 1 18 18 ALA N N 15 131.6 0.3 . 1 . . . . 18 ALA N . 19671 1 133 . 1 1 19 19 SER H H 1 8.11 0.02 . 1 . . . . 19 SER H . 19671 1 134 . 1 1 19 19 SER HA H 1 5.09 0.02 . 1 . . . . 19 SER HA . 19671 1 135 . 1 1 19 19 SER HB2 H 1 3.4 0.02 . 2 . . . . 19 SER HB1 . 19671 1 136 . 1 1 19 19 SER HB3 H 1 3.47 0.02 . 2 . . . . 19 SER HB2 . 19671 1 137 . 1 1 19 19 SER C C 13 173.2 0.3 . 1 . . . . 19 SER C . 19671 1 138 . 1 1 19 19 SER CA C 13 56.7 0.3 . 1 . . . . 19 SER CA . 19671 1 139 . 1 1 19 19 SER CB C 13 64.2 0.3 . 1 . . . . 19 SER CB . 19671 1 140 . 1 1 19 19 SER N N 15 115.6 0.3 . 1 . . . . 19 SER N . 19671 1 141 . 1 1 20 20 ILE H H 1 9.15 0.02 . 1 . . . . 20 ILE H . 19671 1 142 . 1 1 20 20 ILE HA H 1 4.11 0.02 . 1 . . . . 20 ILE HA . 19671 1 143 . 1 1 20 20 ILE HB H 1 1.44 0.02 . 1 . . . . 20 ILE HB . 19671 1 144 . 1 1 20 20 ILE HG12 H 1 1.18 0.02 . 1 . . . . 20 ILE HG11 . 19671 1 145 . 1 1 20 20 ILE HG21 H 1 1.18 0.02 . 1 . . . . 20 ILE HG21 . 19671 1 146 . 1 1 20 20 ILE HG22 H 1 1.18 0.02 . 1 . . . . 20 ILE HG21 . 19671 1 147 . 1 1 20 20 ILE HG23 H 1 1.18 0.02 . 1 . . . . 20 ILE HG21 . 19671 1 148 . 1 1 20 20 ILE HD11 H 1 0.37 0.02 . 1 . . . . 20 ILE HD11 . 19671 1 149 . 1 1 20 20 ILE HD12 H 1 0.37 0.02 . 1 . . . . 20 ILE HD11 . 19671 1 150 . 1 1 20 20 ILE HD13 H 1 0.37 0.02 . 1 . . . . 20 ILE HD11 . 19671 1 151 . 1 1 20 20 ILE C C 13 174.3 0.3 . 1 . . . . 20 ILE C . 19671 1 152 . 1 1 20 20 ILE CA C 13 60.5 0.3 . 1 . . . . 20 ILE CA . 19671 1 153 . 1 1 20 20 ILE CB C 13 35.4 0.3 . 1 . . . . 20 ILE CB . 19671 1 154 . 1 1 20 20 ILE CG1 C 13 27.6 0.3 . 1 . . . . 20 ILE CG1 . 19671 1 155 . 1 1 20 20 ILE CG2 C 13 21.4 0.3 . 1 . . . . 20 ILE CG2 . 19671 1 156 . 1 1 20 20 ILE N N 15 126 0.3 . 1 . . . . 20 ILE N . 19671 1 157 . 1 1 21 21 THR H H 1 7.16 0.02 . 1 . . . . 21 THR H . 19671 1 158 . 1 1 21 21 THR HA H 1 5.29 0.02 . 1 . . . . 21 THR HA . 19671 1 159 . 1 1 21 21 THR HB H 1 4.19 0.02 . 1 . . . . 21 THR HB . 19671 1 160 . 1 1 21 21 THR HG21 H 1 1.16 0.02 . 1 . . . . 21 THR HG2 . 19671 1 161 . 1 1 21 21 THR HG22 H 1 1.16 0.02 . 1 . . . . 21 THR HG2 . 19671 1 162 . 1 1 21 21 THR HG23 H 1 1.16 0.02 . 1 . . . . 21 THR HG2 . 19671 1 163 . 1 1 21 21 THR C C 13 173.9 0.3 . 1 . . . . 21 THR C . 19671 1 164 . 1 1 21 21 THR CA C 13 61 0.3 . 1 . . . . 21 THR CA . 19671 1 165 . 1 1 21 21 THR CB C 13 71.7 0.3 . 1 . . . . 21 THR CB . 19671 1 166 . 1 1 21 21 THR CG2 C 13 21.4 0.3 . 1 . . . . 21 THR CG2 . 19671 1 167 . 1 1 21 21 THR N N 15 114.3 0.3 . 1 . . . . 21 THR N . 19671 1 168 . 1 1 22 22 CYS H H 1 8.64 0.02 . 1 . . . . 22 CYS H . 19671 1 169 . 1 1 22 22 CYS HA H 1 5.06 0.02 . 1 . . . . 22 CYS HA . 19671 1 170 . 1 1 22 22 CYS HB2 H 1 3.57 0.02 . 2 . . . . 22 CYS HB1 . 19671 1 171 . 1 1 22 22 CYS HB3 H 1 3.5 0.02 . 2 . . . . 22 CYS HB2 . 19671 1 172 . 1 1 22 22 CYS C C 13 173.4 0.3 . 1 . . . . 22 CYS C . 19671 1 173 . 1 1 22 22 CYS CA C 13 54.8 0.3 . 1 . . . . 22 CYS CA . 19671 1 174 . 1 1 22 22 CYS CB C 13 45.6 0.3 . 1 . . . . 22 CYS CB . 19671 1 175 . 1 1 22 22 CYS N N 15 120.4 0.3 . 1 . . . . 22 CYS N . 19671 1 176 . 1 1 23 23 SER H H 1 8.98 0.02 . 1 . . . . 23 SER H . 19671 1 177 . 1 1 23 23 SER HA H 1 5.79 0.02 . 1 . . . . 23 SER HA . 19671 1 178 . 1 1 23 23 SER HB2 H 1 3.7 0.02 . 2 . . . . 23 SER HB1 . 19671 1 179 . 1 1 23 23 SER HB3 H 1 3.89 0.02 . 2 . . . . 23 SER HB2 . 19671 1 180 . 1 1 23 23 SER C C 13 173.9 0.3 . 1 . . . . 23 SER C . 19671 1 181 . 1 1 23 23 SER CA C 13 56.9 0.3 . 1 . . . . 23 SER CA . 19671 1 182 . 1 1 23 23 SER CB C 13 66.7 0.3 . 1 . . . . 23 SER CB . 19671 1 183 . 1 1 23 23 SER N N 15 119.9 0.3 . 1 . . . . 23 SER N . 19671 1 184 . 1 1 24 24 GLY H H 1 8.33 0.02 . 1 . . . . 24 GLY H . 19671 1 185 . 1 1 24 24 GLY HA2 H 1 4.42 0.02 . 2 . . . . 24 GLY HA1 . 19671 1 186 . 1 1 24 24 GLY HA3 H 1 4.08 0.02 . 2 . . . . 24 GLY HA2 . 19671 1 187 . 1 1 24 24 GLY C C 13 173.4 0.3 . 1 . . . . 24 GLY C . 19671 1 188 . 1 1 24 24 GLY CA C 13 46.2 0.3 . 1 . . . . 24 GLY CA . 19671 1 189 . 1 1 24 24 GLY N N 15 110.8 0.3 . 1 . . . . 24 GLY N . 19671 1 190 . 1 1 25 25 ASP H H 1 8.79 0.02 . 1 . . . . 25 ASP H . 19671 1 191 . 1 1 25 25 ASP HA H 1 4.41 0.02 . 1 . . . . 25 ASP HA . 19671 1 192 . 1 1 25 25 ASP HB2 H 1 2.65 0.02 . 2 . . . . 25 ASP HB1 . 19671 1 193 . 1 1 25 25 ASP HB3 H 1 2.72 0.02 . 2 . . . . 25 ASP HB2 . 19671 1 194 . 1 1 25 25 ASP C C 13 175.9 0.3 . 1 . . . . 25 ASP C . 19671 1 195 . 1 1 25 25 ASP CA C 13 56.7 0.3 . 1 . . . . 25 ASP CA . 19671 1 196 . 1 1 25 25 ASP CB C 13 40.5 0.3 . 1 . . . . 25 ASP CB . 19671 1 197 . 1 1 25 25 ASP N N 15 123.1 0.3 . 1 . . . . 25 ASP N . 19671 1 198 . 1 1 26 26 LYS H H 1 8.55 0.02 . 1 . . . . 26 LYS H . 19671 1 199 . 1 1 26 26 LYS HA H 1 4.13 0.02 . 1 . . . . 26 LYS HA . 19671 1 200 . 1 1 26 26 LYS HB2 H 1 1.61 0.02 . 2 . . . . 26 LYS HB1 . 19671 1 201 . 1 1 26 26 LYS HB3 H 1 1.68 0.02 . 2 . . . . 26 LYS HB2 . 19671 1 202 . 1 1 26 26 LYS C C 13 176.6 0.3 . 1 . . . . 26 LYS C . 19671 1 203 . 1 1 26 26 LYS CA C 13 57.4 0.3 . 1 . . . . 26 LYS CA . 19671 1 204 . 1 1 26 26 LYS CB C 13 32.6 0.3 . 1 . . . . 26 LYS CB . 19671 1 205 . 1 1 26 26 LYS N N 15 116.4 0.3 . 1 . . . . 26 LYS N . 19671 1 206 . 1 1 27 27 LEU H H 1 7.41 0.02 . 1 . . . . 27 LEU H . 19671 1 207 . 1 1 27 27 LEU HA H 1 3.79 0.02 . 1 . . . . 27 LEU HA . 19671 1 208 . 1 1 27 27 LEU HB2 H 1 1.51 0.02 . 2 . . . . 27 LEU HB1 . 19671 1 209 . 1 1 27 27 LEU HB3 H 1 1.45 0.02 . 2 . . . . 27 LEU HB2 . 19671 1 210 . 1 1 27 27 LEU HG H 1 1.71 0.02 . 1 . . . . 27 LEU HG . 19671 1 211 . 1 1 27 27 LEU HD11 H 1 0.53 0.02 . 1 . . . . 27 LEU HD11 . 19671 1 212 . 1 1 27 27 LEU HD12 H 1 0.53 0.02 . 1 . . . . 27 LEU HD11 . 19671 1 213 . 1 1 27 27 LEU HD13 H 1 0.53 0.02 . 1 . . . . 27 LEU HD11 . 19671 1 214 . 1 1 27 27 LEU HD21 H 1 0.67 0.02 . 1 . . . . 27 LEU HD21 . 19671 1 215 . 1 1 27 27 LEU HD22 H 1 0.67 0.02 . 1 . . . . 27 LEU HD21 . 19671 1 216 . 1 1 27 27 LEU HD23 H 1 0.67 0.02 . 1 . . . . 27 LEU HD21 . 19671 1 217 . 1 1 27 27 LEU C C 13 177.4 0.3 . 1 . . . . 27 LEU C . 19671 1 218 . 1 1 27 27 LEU CA C 13 57 0.3 . 1 . . . . 27 LEU CA . 19671 1 219 . 1 1 27 27 LEU CG C 13 27.9 0.3 . 1 . . . . 27 LEU CG . 19671 1 220 . 1 1 27 27 LEU N N 15 118.6 0.3 . 1 . . . . 27 LEU N . 19671 1 221 . 1 1 28 28 GLY H H 1 7.54 0.02 . 1 . . . . 28 GLY H . 19671 1 222 . 1 1 28 28 GLY HA2 H 1 3.74 0.02 . 2 . . . . 28 GLY HA1 . 19671 1 223 . 1 1 28 28 GLY HA3 H 1 3.88 0.02 . 2 . . . . 28 GLY HA2 . 19671 1 224 . 1 1 28 28 GLY C C 13 174.4 0.3 . 1 . . . . 28 GLY C . 19671 1 225 . 1 1 28 28 GLY CA C 13 47.6 0.3 . 1 . . . . 28 GLY CA . 19671 1 226 . 1 1 28 28 GLY N N 15 104.2 0.3 . 1 . . . . 28 GLY N . 19671 1 227 . 1 1 29 29 ASP H H 1 8.03 0.02 . 1 . . . . 29 ASP H . 19671 1 228 . 1 1 29 29 ASP HA H 1 4.56 0.02 . 1 . . . . 29 ASP HA . 19671 1 229 . 1 1 29 29 ASP HB2 H 1 2.76 0.02 . 2 . . . . 29 ASP HB1 . 19671 1 230 . 1 1 29 29 ASP HB3 H 1 2.8 0.02 . 2 . . . . 29 ASP HB2 . 19671 1 231 . 1 1 29 29 ASP C C 13 175 0.3 . 1 . . . . 29 ASP C . 19671 1 232 . 1 1 29 29 ASP CA C 13 53.7 0.3 . 1 . . . . 29 ASP CA . 19671 1 233 . 1 1 29 29 ASP CB C 13 40 0.3 . 1 . . . . 29 ASP CB . 19671 1 234 . 1 1 29 29 ASP N N 15 118.6 0.3 . 1 . . . . 29 ASP N . 19671 1 235 . 1 1 30 30 LYS H H 1 7.58 0.02 . 1 . . . . 30 LYS H . 19671 1 236 . 1 1 30 30 LYS HA H 1 4.54 0.02 . 1 . . . . 30 LYS HA . 19671 1 237 . 1 1 30 30 LYS HB2 H 1 1.49 0.02 . 2 . . . . 30 LYS HB1 . 19671 1 238 . 1 1 30 30 LYS HB3 H 1 1.57 0.02 . 2 . . . . 30 LYS HB2 . 19671 1 239 . 1 1 30 30 LYS HG2 H 1 1.42 0.02 . 2 . . . . 30 LYS HG1 . 19671 1 240 . 1 1 30 30 LYS HG3 H 1 1.37 0.02 . 2 . . . . 30 LYS HG2 . 19671 1 241 . 1 1 30 30 LYS CA C 13 54.2 0.3 . 1 . . . . 30 LYS CA . 19671 1 242 . 1 1 30 30 LYS CB C 13 36.9 0.3 . 1 . . . . 30 LYS CB . 19671 1 243 . 1 1 30 30 LYS N N 15 118.5 0.3 . 1 . . . . 30 LYS N . 19671 1 244 . 1 1 33 33 TYR HA H 1 4.94 0.02 . 1 . . . . 33 TYR HA . 19671 1 245 . 1 1 33 33 TYR C C 13 174.2 0.3 . 1 . . . . 33 TYR C . 19671 1 246 . 1 1 33 33 TYR CA C 13 56.2 0.3 . 1 . . . . 33 TYR CA . 19671 1 247 . 1 1 33 33 TYR CB C 13 41.6 0.3 . 1 . . . . 33 TYR CB . 19671 1 248 . 1 1 34 34 TRP H H 1 9.08 0.02 . 1 . . . . 34 TRP H . 19671 1 249 . 1 1 34 34 TRP HA H 1 5.62 0.02 . 1 . . . . 34 TRP HA . 19671 1 250 . 1 1 34 34 TRP HB2 H 1 2.87 0.02 . 2 . . . . 34 TRP HB1 . 19671 1 251 . 1 1 34 34 TRP HB3 H 1 2.95 0.02 . 2 . . . . 34 TRP HB2 . 19671 1 252 . 1 1 34 34 TRP HD1 H 1 6.55 0.02 . 1 . . . . 34 TRP HD1 . 19671 1 253 . 1 1 34 34 TRP HE1 H 1 10.18 0.02 . 1 . . . . 34 TRP HE1 . 19671 1 254 . 1 1 34 34 TRP C C 13 175.2 0.3 . 1 . . . . 34 TRP C . 19671 1 255 . 1 1 34 34 TRP CA C 13 55.4 0.3 . 1 . . . . 34 TRP CA . 19671 1 256 . 1 1 34 34 TRP CB C 13 33.6 0.3 . 1 . . . . 34 TRP CB . 19671 1 257 . 1 1 34 34 TRP N N 15 117.9 0.3 . 1 . . . . 34 TRP N . 19671 1 258 . 1 1 34 34 TRP NE1 N 15 129.5 0.3 . 1 . . . . 34 TRP NE1 . 19671 1 259 . 1 1 35 35 TYR H H 1 9.59 0.02 . 1 . . . . 35 TYR H . 19671 1 260 . 1 1 35 35 TYR HA H 1 5.42 0.02 . 1 . . . . 35 TYR HA . 19671 1 261 . 1 1 35 35 TYR HB2 H 1 2.91 0.02 . 2 . . . . 35 TYR HB1 . 19671 1 262 . 1 1 35 35 TYR HB3 H 1 2.85 0.02 . 2 . . . . 35 TYR HB2 . 19671 1 263 . 1 1 35 35 TYR HD1 H 1 6.89 0.02 . 3 . . . . 35 TYR HD1 . 19671 1 264 . 1 1 35 35 TYR HD2 H 1 6.95 0.02 . 3 . . . . 35 TYR HD2 . 19671 1 265 . 1 1 35 35 TYR HE1 H 1 6.75 0.02 . 3 . . . . 35 TYR HE1 . 19671 1 266 . 1 1 35 35 TYR HE2 H 1 6.65 0.02 . 3 . . . . 35 TYR HE2 . 19671 1 267 . 1 1 35 35 TYR C C 13 174.6 0.3 . 1 . . . . 35 TYR C . 19671 1 268 . 1 1 35 35 TYR CA C 13 56.7 0.3 . 1 . . . . 35 TYR CA . 19671 1 269 . 1 1 35 35 TYR CB C 13 42.8 0.3 . 1 . . . . 35 TYR CB . 19671 1 270 . 1 1 35 35 TYR N N 15 120 0.3 . 1 . . . . 35 TYR N . 19671 1 271 . 1 1 36 36 GLN H H 1 9.88 0.02 . 1 . . . . 36 GLN H . 19671 1 272 . 1 1 36 36 GLN HA H 1 4.34 0.02 . 1 . . . . 36 GLN HA . 19671 1 273 . 1 1 36 36 GLN HB2 H 1 2.15 0.02 . 2 . . . . 36 GLN HB1 . 19671 1 274 . 1 1 36 36 GLN HB3 H 1 2.08 0.02 . 2 . . . . 36 GLN HB2 . 19671 1 275 . 1 1 36 36 GLN HG2 H 1 2.24 0.02 . 2 . . . . 36 GLN HG1 . 19671 1 276 . 1 1 36 36 GLN HG3 H 1 2.21 0.02 . 2 . . . . 36 GLN HG2 . 19671 1 277 . 1 1 36 36 GLN HE21 H 1 7.55 0.02 . 1 . . . . 36 GLN HE21 . 19671 1 278 . 1 1 36 36 GLN HE22 H 1 6.92 0.02 . 1 . . . . 36 GLN HE22 . 19671 1 279 . 1 1 36 36 GLN C C 13 174.5 0.3 . 1 . . . . 36 GLN C . 19671 1 280 . 1 1 36 36 GLN CA C 13 54.1 0.3 . 1 . . . . 36 GLN CA . 19671 1 281 . 1 1 36 36 GLN CB C 13 34.3 0.3 . 1 . . . . 36 GLN CB . 19671 1 282 . 1 1 36 36 GLN N N 15 123.5 0.3 . 1 . . . . 36 GLN N . 19671 1 283 . 1 1 36 36 GLN NE2 N 15 112.9 0.3 . 1 . . . . 36 GLN NE2 . 19671 1 284 . 1 1 37 37 GLN H H 1 9.77 0.02 . 1 . . . . 37 GLN H . 19671 1 285 . 1 1 37 37 GLN HA H 1 4.95 0.02 . 1 . . . . 37 GLN HA . 19671 1 286 . 1 1 37 37 GLN HB2 H 1 2.03 0.02 . 2 . . . . 37 GLN HB1 . 19671 1 287 . 1 1 37 37 GLN HB3 H 1 1.73 0.02 . 2 . . . . 37 GLN HB2 . 19671 1 288 . 1 1 37 37 GLN HG2 H 1 2.34 0.02 . 2 . . . . 37 GLN HG1 . 19671 1 289 . 1 1 37 37 GLN HG3 H 1 2.37 0.02 . 2 . . . . 37 GLN HG2 . 19671 1 290 . 1 1 37 37 GLN HE21 H 1 7.84 0.02 . 1 . . . . 37 GLN HE21 . 19671 1 291 . 1 1 37 37 GLN HE22 H 1 6.29 0.02 . 1 . . . . 37 GLN HE22 . 19671 1 292 . 1 1 37 37 GLN C C 13 174.4 0.3 . 1 . . . . 37 GLN C . 19671 1 293 . 1 1 37 37 GLN CA C 13 54.9 0.3 . 1 . . . . 37 GLN CA . 19671 1 294 . 1 1 37 37 GLN CB C 13 31.9 0.3 . 1 . . . . 37 GLN CB . 19671 1 295 . 1 1 37 37 GLN N N 15 129.2 0.3 . 1 . . . . 37 GLN N . 19671 1 296 . 1 1 37 37 GLN NE2 N 15 109 0.3 . 1 . . . . 37 GLN NE2 . 19671 1 297 . 1 1 38 38 LYS H H 1 9.05 0.02 . 1 . . . . 38 LYS H . 19671 1 298 . 1 1 38 38 LYS HA H 1 4.71 0.02 . 1 . . . . 38 LYS HA . 19671 1 299 . 1 1 38 38 LYS HB2 H 1 1.15 0.02 . 2 . . . . 38 LYS HB1 . 19671 1 300 . 1 1 38 38 LYS HB3 H 1 1.08 0.02 . 2 . . . . 38 LYS HB2 . 19671 1 301 . 1 1 38 38 LYS CA C 13 54.2 0.3 . 1 . . . . 38 LYS CA . 19671 1 302 . 1 1 38 38 LYS CB C 13 32.5 0.3 . 1 . . . . 38 LYS CB . 19671 1 303 . 1 1 38 38 LYS N N 15 131 0.3 . 1 . . . . 38 LYS N . 19671 1 304 . 1 1 39 39 PRO HA H 1 4.28 0.02 . 1 . . . . 39 PRO HA . 19671 1 305 . 1 1 39 39 PRO HB2 H 1 1.89 0.02 . 2 . . . . 39 PRO HB1 . 19671 1 306 . 1 1 39 39 PRO HB3 H 1 2.27 0.02 . 2 . . . . 39 PRO HB2 . 19671 1 307 . 1 1 39 39 PRO C C 13 178.4 0.3 . 1 . . . . 39 PRO C . 19671 1 308 . 1 1 39 39 PRO CA C 13 64 0.3 . 1 . . . . 39 PRO CA . 19671 1 309 . 1 1 39 39 PRO CB C 13 31.5 0.3 . 1 . . . . 39 PRO CB . 19671 1 310 . 1 1 39 39 PRO CG C 13 27.4 0.3 . 1 . . . . 39 PRO CG . 19671 1 311 . 1 1 40 40 GLY H H 1 8.93 0.02 . 1 . . . . 40 GLY H . 19671 1 312 . 1 1 40 40 GLY HA2 H 1 4.1 0.02 . 2 . . . . 40 GLY HA1 . 19671 1 313 . 1 1 40 40 GLY HA3 H 1 3.74 0.02 . 2 . . . . 40 GLY HA2 . 19671 1 314 . 1 1 40 40 GLY C C 13 173.8 0.3 . 1 . . . . 40 GLY C . 19671 1 315 . 1 1 40 40 GLY CA C 13 45.8 0.3 . 1 . . . . 40 GLY CA . 19671 1 316 . 1 1 40 40 GLY N N 15 112.3 0.3 . 1 . . . . 40 GLY N . 19671 1 317 . 1 1 41 41 GLN H H 1 7.76 0.02 . 1 . . . . 41 GLN H . 19671 1 318 . 1 1 41 41 GLN HA H 1 4.75 0.02 . 1 . . . . 41 GLN HA . 19671 1 319 . 1 1 41 41 GLN HB2 H 1 1.95 0.02 . 2 . . . . 41 GLN HB1 . 19671 1 320 . 1 1 41 41 GLN HB3 H 1 2.03 0.02 . 2 . . . . 41 GLN HB2 . 19671 1 321 . 1 1 41 41 GLN HG2 H 1 2.23 0.02 . 2 . . . . 41 GLN HG1 . 19671 1 322 . 1 1 41 41 GLN HG3 H 1 2.29 0.02 . 2 . . . . 41 GLN HG2 . 19671 1 323 . 1 1 41 41 GLN HE21 H 1 7.61 0.02 . 1 . . . . 41 GLN HE21 . 19671 1 324 . 1 1 41 41 GLN HE22 H 1 6.76 0.02 . 1 . . . . 41 GLN HE22 . 19671 1 325 . 1 1 41 41 GLN C C 13 173.8 0.3 . 1 . . . . 41 GLN C . 19671 1 326 . 1 1 41 41 GLN CA C 13 53.5 0.3 . 1 . . . . 41 GLN CA . 19671 1 327 . 1 1 41 41 GLN CB C 13 31.6 0.3 . 1 . . . . 41 GLN CB . 19671 1 328 . 1 1 41 41 GLN CG C 13 31.3 0.3 . 1 . . . . 41 GLN CG . 19671 1 329 . 1 1 41 41 GLN N N 15 117.6 0.3 . 1 . . . . 41 GLN N . 19671 1 330 . 1 1 41 41 GLN NE2 N 15 112.3 0.3 . 1 . . . . 41 GLN NE2 . 19671 1 331 . 1 1 42 42 SER H H 1 8.6 0.02 . 1 . . . . 42 SER H . 19671 1 332 . 1 1 42 42 SER HA H 1 4.72 0.02 . 1 . . . . 42 SER HA . 19671 1 333 . 1 1 42 42 SER CA C 13 57.7 0.3 . 1 . . . . 42 SER CA . 19671 1 334 . 1 1 42 42 SER CB C 13 61.9 0.3 . 1 . . . . 42 SER CB . 19671 1 335 . 1 1 42 42 SER N N 15 117.8 0.3 . 1 . . . . 42 SER N . 19671 1 336 . 1 1 43 43 PRO C C 13 176.5 0.3 . 1 . . . . 43 PRO C . 19671 1 337 . 1 1 43 43 PRO CA C 13 63.3 0.3 . 1 . . . . 43 PRO CA . 19671 1 338 . 1 1 43 43 PRO CB C 13 32.3 0.3 . 1 . . . . 43 PRO CB . 19671 1 339 . 1 1 44 44 VAL H H 1 9.24 0.02 . 1 . . . . 44 VAL H . 19671 1 340 . 1 1 44 44 VAL HA H 1 4.36 0.02 . 1 . . . . 44 VAL HA . 19671 1 341 . 1 1 44 44 VAL HB H 1 2.04 0.02 . 1 . . . . 44 VAL HB . 19671 1 342 . 1 1 44 44 VAL HG11 H 1 1 0.02 . 1 . . . . 44 VAL HG11 . 19671 1 343 . 1 1 44 44 VAL HG12 H 1 1 0.02 . 1 . . . . 44 VAL HG11 . 19671 1 344 . 1 1 44 44 VAL HG13 H 1 1 0.02 . 1 . . . . 44 VAL HG11 . 19671 1 345 . 1 1 44 44 VAL HG21 H 1 0.81 0.02 . 1 . . . . 44 VAL HG21 . 19671 1 346 . 1 1 44 44 VAL HG22 H 1 0.81 0.02 . 1 . . . . 44 VAL HG21 . 19671 1 347 . 1 1 44 44 VAL HG23 H 1 0.81 0.02 . 1 . . . . 44 VAL HG21 . 19671 1 348 . 1 1 44 44 VAL C C 13 175.1 0.3 . 1 . . . . 44 VAL C . 19671 1 349 . 1 1 44 44 VAL CA C 13 61 0.3 . 1 . . . . 44 VAL CA . 19671 1 350 . 1 1 44 44 VAL CG2 C 13 19.8 0.3 . 1 . . . . 44 VAL CG2 . 19671 1 351 . 1 1 44 44 VAL N N 15 124.3 0.3 . 1 . . . . 44 VAL N . 19671 1 352 . 1 1 45 45 LEU H H 1 8.66 0.02 . 1 . . . . 45 LEU H . 19671 1 353 . 1 1 45 45 LEU HA H 1 3.9 0.02 . 1 . . . . 45 LEU HA . 19671 1 354 . 1 1 45 45 LEU HB2 H 1 1.74 0.02 . 2 . . . . 45 LEU HB1 . 19671 1 355 . 1 1 45 45 LEU HB3 H 1 1.65 0.02 . 2 . . . . 45 LEU HB2 . 19671 1 356 . 1 1 45 45 LEU HG H 1 1.27 0.02 . 1 . . . . 45 LEU HG . 19671 1 357 . 1 1 45 45 LEU CA C 13 61.9 0.3 . 1 . . . . 45 LEU CA . 19671 1 358 . 1 1 45 45 LEU N N 15 130.8 0.3 . 1 . . . . 45 LEU N . 19671 1 359 . 1 1 46 46 VAL HA H 1 4.36 0.02 . 1 . . . . 46 VAL HA . 19671 1 360 . 1 1 46 46 VAL C C 13 173.3 0.3 . 1 . . . . 46 VAL C . 19671 1 361 . 1 1 46 46 VAL CA C 13 61.9 0.3 . 1 . . . . 46 VAL CA . 19671 1 362 . 1 1 46 46 VAL CB C 13 32.9 0.3 . 1 . . . . 46 VAL CB . 19671 1 363 . 1 1 47 47 ILE H H 1 6.94 0.02 . 1 . . . . 47 ILE H . 19671 1 364 . 1 1 47 47 ILE HA H 1 4.92 0.02 . 1 . . . . 47 ILE HA . 19671 1 365 . 1 1 47 47 ILE HB H 1 1.75 0.02 . 1 . . . . 47 ILE HB . 19671 1 366 . 1 1 47 47 ILE HG12 H 1 1.3 0.02 . 2 . . . . 47 ILE HG11 . 19671 1 367 . 1 1 47 47 ILE HG13 H 1 1.21 0.02 . 2 . . . . 47 ILE HG12 . 19671 1 368 . 1 1 47 47 ILE HG21 H 1 0.52 0.02 . 1 . . . . 47 ILE HG21 . 19671 1 369 . 1 1 47 47 ILE HG22 H 1 0.52 0.02 . 1 . . . . 47 ILE HG21 . 19671 1 370 . 1 1 47 47 ILE HG23 H 1 0.52 0.02 . 1 . . . . 47 ILE HG21 . 19671 1 371 . 1 1 47 47 ILE HD11 H 1 0.85 0.02 . 1 . . . . 47 ILE HD11 . 19671 1 372 . 1 1 47 47 ILE HD12 H 1 0.85 0.02 . 1 . . . . 47 ILE HD11 . 19671 1 373 . 1 1 47 47 ILE HD13 H 1 0.85 0.02 . 1 . . . . 47 ILE HD11 . 19671 1 374 . 1 1 47 47 ILE CA C 13 56.247 0.3 . 1 . . . . 47 ILE CA . 19671 1 375 . 1 1 47 47 ILE N N 15 115.7 0.3 . 1 . . . . 47 ILE N . 19671 1 376 . 1 1 48 48 TYR H H 1 9.36 0.02 . 1 . . . . 48 TYR H . 19671 1 377 . 1 1 48 48 TYR HA H 1 4.28 0.02 . 1 . . . . 48 TYR HA . 19671 1 378 . 1 1 48 48 TYR HB2 H 1 2.26 0.02 . 2 . . . . 48 TYR HB1 . 19671 1 379 . 1 1 48 48 TYR HB3 H 1 2.19 0.02 . 2 . . . . 48 TYR HB2 . 19671 1 380 . 1 1 48 48 TYR HD2 H 1 6.42 0.02 . 1 . . . . 48 TYR HD2 . 19671 1 381 . 1 1 48 48 TYR HE2 H 1 6.3 0.02 . 1 . . . . 48 TYR HE2 . 19671 1 382 . 1 1 48 48 TYR C C 13 172.2 0.3 . 1 . . . . 48 TYR C . 19671 1 383 . 1 1 48 48 TYR CA C 13 53.8 0.3 . 1 . . . . 48 TYR CA . 19671 1 384 . 1 1 48 48 TYR CB C 13 42.1 0.3 . 1 . . . . 48 TYR CB . 19671 1 385 . 1 1 48 48 TYR N N 15 122.2 0.3 . 1 . . . . 48 TYR N . 19671 1 386 . 1 1 49 49 GLN H H 1 5.78 0.02 . 1 . . . . 49 GLN H . 19671 1 387 . 1 1 49 49 GLN HA H 1 2.99 0.02 . 1 . . . . 49 GLN HA . 19671 1 388 . 1 1 49 49 GLN HB2 H 1 1.36 0.02 . 2 . . . . 49 GLN HB1 . 19671 1 389 . 1 1 49 49 GLN HB3 H 1 1.3 0.02 . 2 . . . . 49 GLN HB2 . 19671 1 390 . 1 1 49 49 GLN HE21 H 1 8.15 0.02 . 1 . . . . 49 GLN HE21 . 19671 1 391 . 1 1 49 49 GLN HE22 H 1 6.24 0.02 . 1 . . . . 49 GLN HE22 . 19671 1 392 . 1 1 49 49 GLN C C 13 175.6 0.3 . 1 . . . . 49 GLN C . 19671 1 393 . 1 1 49 49 GLN CA C 13 56.9 0.3 . 1 . . . . 49 GLN CA . 19671 1 394 . 1 1 49 49 GLN CB C 13 26.1 0.3 . 1 . . . . 49 GLN CB . 19671 1 395 . 1 1 49 49 GLN CG C 13 34.1 0.3 . 1 . . . . 49 GLN CG . 19671 1 396 . 1 1 49 49 GLN N N 15 114.3 0.3 . 1 . . . . 49 GLN N . 19671 1 397 . 1 1 49 49 GLN NE2 N 15 108.6 0.3 . 1 . . . . 49 GLN NE2 . 19671 1 398 . 1 1 50 50 ASP H H 1 9.23 0.02 . 1 . . . . 50 ASP H . 19671 1 399 . 1 1 50 50 ASP HA H 1 4.21 0.02 . 1 . . . . 50 ASP HA . 19671 1 400 . 1 1 50 50 ASP HB2 H 1 2.41 0.02 . 2 . . . . 50 ASP HB1 . 19671 1 401 . 1 1 50 50 ASP HB3 H 1 2.37 0.02 . 2 . . . . 50 ASP HB2 . 19671 1 402 . 1 1 50 50 ASP C C 13 177.8 0.3 . 1 . . . . 50 ASP C . 19671 1 403 . 1 1 50 50 ASP CA C 13 60.1 0.3 . 1 . . . . 50 ASP CA . 19671 1 404 . 1 1 50 50 ASP CB C 13 41 0.3 . 1 . . . . 50 ASP CB . 19671 1 405 . 1 1 50 50 ASP N N 15 113 0.3 . 1 . . . . 50 ASP N . 19671 1 406 . 1 1 51 51 SER H H 1 8.34 0.02 . 1 . . . . 51 SER H . 19671 1 407 . 1 1 51 51 SER HA H 1 4.45 0.02 . 1 . . . . 51 SER HA . 19671 1 408 . 1 1 51 51 SER HB2 H 1 4.09 0.02 . 2 . . . . 51 SER HB1 . 19671 1 409 . 1 1 51 51 SER HB3 H 1 4.03 0.02 . 2 . . . . 51 SER HB2 . 19671 1 410 . 1 1 51 51 SER C C 13 174.7 0.3 . 1 . . . . 51 SER C . 19671 1 411 . 1 1 51 51 SER CA C 13 57.2 0.3 . 1 . . . . 51 SER CA . 19671 1 412 . 1 1 51 51 SER CB C 13 66.3 0.3 . 1 . . . . 51 SER CB . 19671 1 413 . 1 1 51 51 SER N N 15 110.8 0.3 . 1 . . . . 51 SER N . 19671 1 414 . 1 1 52 52 LYS H H 1 8.32 0.02 . 1 . . . . 52 LYS H . 19671 1 415 . 1 1 52 52 LYS HA H 1 4.15 0.02 . 1 . . . . 52 LYS HA . 19671 1 416 . 1 1 52 52 LYS C C 13 174.2 0.3 . 1 . . . . 52 LYS C . 19671 1 417 . 1 1 52 52 LYS CA C 13 56.3 0.3 . 1 . . . . 52 LYS CA . 19671 1 418 . 1 1 52 52 LYS CB C 13 31.5 0.3 . 1 . . . . 52 LYS CB . 19671 1 419 . 1 1 52 52 LYS N N 15 124.2 0.3 . 1 . . . . 52 LYS N . 19671 1 420 . 1 1 53 53 ARG H H 1 8.52 0.02 . 1 . . . . 53 ARG H . 19671 1 421 . 1 1 53 53 ARG HA H 1 5.19 0.02 . 1 . . . . 53 ARG HA . 19671 1 422 . 1 1 53 53 ARG HB2 H 1 1.55 0.02 . 2 . . . . 53 ARG HB1 . 19671 1 423 . 1 1 53 53 ARG HB3 H 1 1.61 0.02 . 2 . . . . 53 ARG HB2 . 19671 1 424 . 1 1 53 53 ARG CA C 13 52.7 0.3 . 1 . . . . 53 ARG CA . 19671 1 425 . 1 1 53 53 ARG CB C 13 33.1 0.3 . 1 . . . . 53 ARG CB . 19671 1 426 . 1 1 53 53 ARG N N 15 122.4 0.3 . 1 . . . . 53 ARG N . 19671 1 427 . 1 1 54 54 PRO HA H 1 4.41 0.02 . 1 . . . . 54 PRO HA . 19671 1 428 . 1 1 54 54 PRO HB2 H 1 2.67 0.02 . 1 . . . . 54 PRO HB1 . 19671 1 429 . 1 1 54 54 PRO C C 13 175.7 0.3 . 1 . . . . 54 PRO C . 19671 1 430 . 1 1 54 54 PRO CA C 13 62 0.3 . 1 . . . . 54 PRO CA . 19671 1 431 . 1 1 54 54 PRO CB C 13 32.5 0.3 . 1 . . . . 54 PRO CB . 19671 1 432 . 1 1 55 55 SER H H 1 8.5 0.02 . 1 . . . . 55 SER H . 19671 1 433 . 1 1 55 55 SER HA H 1 4.23 0.02 . 1 . . . . 55 SER HA . 19671 1 434 . 1 1 55 55 SER HB2 H 1 3.87 0.02 . 2 . . . . 55 SER HB1 . 19671 1 435 . 1 1 55 55 SER HB3 H 1 3.84 0.02 . 2 . . . . 55 SER HB2 . 19671 1 436 . 1 1 55 55 SER C C 13 175.5 0.3 . 1 . . . . 55 SER C . 19671 1 437 . 1 1 55 55 SER CA C 13 60 0.3 . 1 . . . . 55 SER CA . 19671 1 438 . 1 1 55 55 SER CB C 13 62.9 0.3 . 1 . . . . 55 SER CB . 19671 1 439 . 1 1 55 55 SER N N 15 116.4 0.3 . 1 . . . . 55 SER N . 19671 1 440 . 1 1 56 56 GLY H H 1 8.8 0.02 . 1 . . . . 56 GLY H . 19671 1 441 . 1 1 56 56 GLY HA2 H 1 3.67 0.02 . 2 . . . . 56 GLY HA1 . 19671 1 442 . 1 1 56 56 GLY HA3 H 1 4.2 0.02 . 2 . . . . 56 GLY HA2 . 19671 1 443 . 1 1 56 56 GLY C C 13 174 0.3 . 1 . . . . 56 GLY C . 19671 1 444 . 1 1 56 56 GLY CA C 13 45 0.3 . 1 . . . . 56 GLY CA . 19671 1 445 . 1 1 56 56 GLY N N 15 113.2 0.3 . 1 . . . . 56 GLY N . 19671 1 446 . 1 1 57 57 ILE H H 1 7.41 0.02 . 1 . . . . 57 ILE H . 19671 1 447 . 1 1 57 57 ILE HA H 1 4.58 0.02 . 1 . . . . 57 ILE HA . 19671 1 448 . 1 1 57 57 ILE HB H 1 2.2 0.02 . 1 . . . . 57 ILE HB . 19671 1 449 . 1 1 57 57 ILE HG12 H 1 0.56 0.02 . 1 . . . . 57 ILE HG12 . 19671 1 450 . 1 1 57 57 ILE HG21 H 1 0.98 0.02 . 1 . . . . 57 ILE HG21 . 19671 1 451 . 1 1 57 57 ILE HG22 H 1 0.98 0.02 . 1 . . . . 57 ILE HG21 . 19671 1 452 . 1 1 57 57 ILE HG23 H 1 0.98 0.02 . 1 . . . . 57 ILE HG21 . 19671 1 453 . 1 1 57 57 ILE N N 15 123.6 0.3 . 1 . . . . 57 ILE N . 19671 1 454 . 1 1 58 58 PRO HA H 1 4.84 0.02 . 1 . . . . 58 PRO HA . 19671 1 455 . 1 1 58 58 PRO HB2 H 1 3.42 0.02 . 2 . . . . 58 PRO HB1 . 19671 1 456 . 1 1 58 58 PRO HB3 H 1 2.97 0.02 . 2 . . . . 58 PRO HB2 . 19671 1 457 . 1 1 58 58 PRO C C 13 175.9 0.3 . 1 . . . . 58 PRO C . 19671 1 458 . 1 1 58 58 PRO CA C 13 58.1 0.3 . 1 . . . . 58 PRO CA . 19671 1 459 . 1 1 58 58 PRO CB C 13 38.4 0.3 . 1 . . . . 58 PRO CB . 19671 1 460 . 1 1 59 59 GLU H H 1 8.75 0.02 . 1 . . . . 59 GLU H . 19671 1 461 . 1 1 59 59 GLU HA H 1 4.41 0.02 . 1 . . . . 59 GLU HA . 19671 1 462 . 1 1 59 59 GLU HB2 H 1 1.91 0.02 . 2 . . . . 59 GLU HB1 . 19671 1 463 . 1 1 59 59 GLU HB3 H 1 1.87 0.02 . 2 . . . . 59 GLU HB2 . 19671 1 464 . 1 1 59 59 GLU C C 13 176.4 0.3 . 1 . . . . 59 GLU C . 19671 1 465 . 1 1 59 59 GLU CA C 13 57.9 0.3 . 1 . . . . 59 GLU CA . 19671 1 466 . 1 1 59 59 GLU CB C 13 30.8 0.3 . 1 . . . . 59 GLU CB . 19671 1 467 . 1 1 59 59 GLU CG C 13 37 0.3 . 1 . . . . 59 GLU CG . 19671 1 468 . 1 1 59 59 GLU N N 15 121.8 0.3 . 1 . . . . 59 GLU N . 19671 1 469 . 1 1 60 60 ARG H H 1 7.82 0.02 . 1 . . . . 60 ARG H . 19671 1 470 . 1 1 60 60 ARG HA H 1 4.9 0.02 . 1 . . . . 60 ARG HA . 19671 1 471 . 1 1 60 60 ARG HB2 H 1 1.33 0.02 . 1 . . . . 60 ARG HB1 . 19671 1 472 . 1 1 60 60 ARG HB3 H 1 1.33 0.02 . 1 . . . . 60 ARG HB2 . 19671 1 473 . 1 1 60 60 ARG C C 13 175.8 0.3 . 1 . . . . 60 ARG C . 19671 1 474 . 1 1 60 60 ARG CA C 13 57.3 0.3 . 1 . . . . 60 ARG CA . 19671 1 475 . 1 1 60 60 ARG CB C 13 30.6 0.3 . 1 . . . . 60 ARG CB . 19671 1 476 . 1 1 60 60 ARG N N 15 118.8 0.3 . 1 . . . . 60 ARG N . 19671 1 477 . 1 1 61 61 PHE H H 1 7.68 0.02 . 1 . . . . 61 PHE H . 19671 1 478 . 1 1 61 61 PHE HA H 1 4.72 0.02 . 1 . . . . 61 PHE HA . 19671 1 479 . 1 1 61 61 PHE HB2 H 1 2.96 0.02 . 2 . . . . 61 PHE HB1 . 19671 1 480 . 1 1 61 61 PHE HB3 H 1 2.33 0.02 . 2 . . . . 61 PHE HB2 . 19671 1 481 . 1 1 61 61 PHE HD2 H 1 7.13 0.02 . 1 . . . . 61 PHE HD2 . 19671 1 482 . 1 1 61 61 PHE HE2 H 1 7.04 0.02 . 1 . . . . 61 PHE HE2 . 19671 1 483 . 1 1 61 61 PHE C C 13 174.1 0.3 . 1 . . . . 61 PHE C . 19671 1 484 . 1 1 61 61 PHE CA C 13 57.9 0.3 . 1 . . . . 61 PHE CA . 19671 1 485 . 1 1 61 61 PHE CB C 13 40 0.3 . 1 . . . . 61 PHE CB . 19671 1 486 . 1 1 61 61 PHE N N 15 120.8 0.3 . 1 . . . . 61 PHE N . 19671 1 487 . 1 1 62 62 SER H H 1 9.06 0.02 . 1 . . . . 62 SER H . 19671 1 488 . 1 1 62 62 SER HA H 1 4.71 0.02 . 1 . . . . 62 SER HA . 19671 1 489 . 1 1 62 62 SER HB2 H 1 3.74 0.02 . 2 . . . . 62 SER HB1 . 19671 1 490 . 1 1 62 62 SER HB3 H 1 3.71 0.02 . 2 . . . . 62 SER HB2 . 19671 1 491 . 1 1 62 62 SER C C 13 171.8 0.3 . 1 . . . . 62 SER C . 19671 1 492 . 1 1 62 62 SER CA C 13 57.1 0.3 . 1 . . . . 62 SER CA . 19671 1 493 . 1 1 62 62 SER CB C 13 65.9 0.3 . 1 . . . . 62 SER CB . 19671 1 494 . 1 1 62 62 SER N N 15 115.9 0.3 . 1 . . . . 62 SER N . 19671 1 495 . 1 1 63 63 GLY H H 1 8.6 0.02 . 1 . . . . 63 GLY H . 19671 1 496 . 1 1 63 63 GLY HA2 H 1 3.77 0.02 . 2 . . . . 63 GLY HA1 . 19671 1 497 . 1 1 63 63 GLY HA3 H 1 5.42 0.02 . 2 . . . . 63 GLY HA2 . 19671 1 498 . 1 1 63 63 GLY C C 13 172.5 0.3 . 1 . . . . 63 GLY C . 19671 1 499 . 1 1 63 63 GLY CA C 13 44.6 0.3 . 1 . . . . 63 GLY CA . 19671 1 500 . 1 1 63 63 GLY N N 15 106.2 0.3 . 1 . . . . 63 GLY N . 19671 1 501 . 1 1 64 64 SER H H 1 8.41 0.02 . 1 . . . . 64 SER H . 19671 1 502 . 1 1 64 64 SER HA H 1 4.61 0.02 . 1 . . . . 64 SER HA . 19671 1 503 . 1 1 64 64 SER HB2 H 1 3.84 0.02 . 2 . . . . 64 SER HB1 . 19671 1 504 . 1 1 64 64 SER HB3 H 1 3.68 0.02 . 2 . . . . 64 SER HB2 . 19671 1 505 . 1 1 64 64 SER C C 13 174.4 0.3 . 1 . . . . 64 SER C . 19671 1 506 . 1 1 64 64 SER CA C 13 56.9 0.3 . 1 . . . . 64 SER CA . 19671 1 507 . 1 1 64 64 SER CB C 13 66.6 0.3 . 1 . . . . 64 SER CB . 19671 1 508 . 1 1 64 64 SER N N 15 111.8 0.3 . 1 . . . . 64 SER N . 19671 1 509 . 1 1 65 65 ASN H H 1 9.16 0.02 . 1 . . . . 65 ASN H . 19671 1 510 . 1 1 65 65 ASN HA H 1 5.23 0.02 . 1 . . . . 65 ASN HA . 19671 1 511 . 1 1 65 65 ASN HB2 H 1 2.75 0.02 . 2 . . . . 65 ASN HB1 . 19671 1 512 . 1 1 65 65 ASN HB3 H 1 2.81 0.02 . 2 . . . . 65 ASN HB2 . 19671 1 513 . 1 1 65 65 ASN HD21 H 1 7.91 0.02 . 1 . . . . 65 ASN HD21 . 19671 1 514 . 1 1 65 65 ASN HD22 H 1 7.61 0.02 . 1 . . . . 65 ASN HD22 . 19671 1 515 . 1 1 65 65 ASN C C 13 174.3 0.3 . 1 . . . . 65 ASN C . 19671 1 516 . 1 1 65 65 ASN CA C 13 53.6 0.3 . 1 . . . . 65 ASN CA . 19671 1 517 . 1 1 65 65 ASN CB C 13 39.6 0.3 . 1 . . . . 65 ASN CB . 19671 1 518 . 1 1 65 65 ASN N N 15 122.4 0.3 . 1 . . . . 65 ASN N . 19671 1 519 . 1 1 65 65 ASN ND2 N 15 112.3 0.3 . 1 . . . . 65 ASN ND2 . 19671 1 520 . 1 1 66 66 SER H H 1 8.67 0.02 . 1 . . . . 66 SER H . 19671 1 521 . 1 1 66 66 SER HA H 1 4.61 0.02 . 1 . . . . 66 SER HA . 19671 1 522 . 1 1 66 66 SER HB2 H 1 3.9 0.02 . 2 . . . . 66 SER HB1 . 19671 1 523 . 1 1 66 66 SER HB3 H 1 3.97 0.02 . 2 . . . . 66 SER HB2 . 19671 1 524 . 1 1 66 66 SER C C 13 175.3 0.3 . 1 . . . . 66 SER C . 19671 1 525 . 1 1 66 66 SER CA C 13 58.1 0.3 . 1 . . . . 66 SER CA . 19671 1 526 . 1 1 66 66 SER CB C 13 64.3 0.3 . 1 . . . . 66 SER CB . 19671 1 527 . 1 1 66 66 SER N N 15 120.4 0.3 . 1 . . . . 66 SER N . 19671 1 528 . 1 1 67 67 GLY H H 1 9.18 0.02 . 1 . . . . 67 GLY H . 19671 1 529 . 1 1 67 67 GLY HA2 H 1 4.16 0.02 . 2 . . . . 67 GLY HA1 . 19671 1 530 . 1 1 67 67 GLY HA3 H 1 3.69 0.02 . 2 . . . . 67 GLY HA2 . 19671 1 531 . 1 1 67 67 GLY CA C 13 47 0.3 . 1 . . . . 67 GLY CA . 19671 1 532 . 1 1 67 67 GLY N N 15 115.6 0.3 . 1 . . . . 67 GLY N . 19671 1 533 . 1 1 68 68 ASN H H 1 8.73 0.02 . 1 . . . . 68 ASN H . 19671 1 534 . 1 1 68 68 ASN HA H 1 4.52 0.02 . 1 . . . . 68 ASN HA . 19671 1 535 . 1 1 68 68 ASN HB2 H 1 3.01 0.02 . 2 . . . . 68 ASN HB1 . 19671 1 536 . 1 1 68 68 ASN HB3 H 1 3.05 0.02 . 2 . . . . 68 ASN HB2 . 19671 1 537 . 1 1 68 68 ASN C C 13 174 0.3 . 1 . . . . 68 ASN C . 19671 1 538 . 1 1 68 68 ASN CA C 13 54.1 0.3 . 1 . . . . 68 ASN CA . 19671 1 539 . 1 1 68 68 ASN CB C 13 37.9 0.3 . 1 . . . . 68 ASN CB . 19671 1 540 . 1 1 68 68 ASN N N 15 115.1 0.3 . 1 . . . . 68 ASN N . 19671 1 541 . 1 1 69 69 THR H H 1 7.6 0.02 . 1 . . . . 69 THR H . 19671 1 542 . 1 1 69 69 THR HA H 1 4.93 0.02 . 1 . . . . 69 THR HA . 19671 1 543 . 1 1 69 69 THR HB H 1 3.99 0.02 . 1 . . . . 69 THR HB . 19671 1 544 . 1 1 69 69 THR HG21 H 1 1.09 0.02 . 1 . . . . 69 THR HG2 . 19671 1 545 . 1 1 69 69 THR HG22 H 1 1.09 0.02 . 1 . . . . 69 THR HG2 . 19671 1 546 . 1 1 69 69 THR HG23 H 1 1.09 0.02 . 1 . . . . 69 THR HG2 . 19671 1 547 . 1 1 69 69 THR C C 13 172.2 0.3 . 1 . . . . 69 THR C . 19671 1 548 . 1 1 69 69 THR CA C 13 62.4 0.3 . 1 . . . . 69 THR CA . 19671 1 549 . 1 1 69 69 THR CB C 13 72.2 0.3 . 1 . . . . 69 THR CB . 19671 1 550 . 1 1 69 69 THR CG2 C 13 21.3 0.3 . 1 . . . . 69 THR CG2 . 19671 1 551 . 1 1 69 69 THR N N 15 113.9 0.3 . 1 . . . . 69 THR N . 19671 1 552 . 1 1 70 70 ALA H H 1 9.86 0.02 . 1 . . . . 70 ALA H . 19671 1 553 . 1 1 70 70 ALA HA H 1 5.52 0.02 . 1 . . . . 70 ALA HA . 19671 1 554 . 1 1 70 70 ALA HB1 H 1 1.54 0.02 . 1 . . . . 70 ALA HB1 . 19671 1 555 . 1 1 70 70 ALA HB2 H 1 1.54 0.02 . 1 . . . . 70 ALA HB1 . 19671 1 556 . 1 1 70 70 ALA HB3 H 1 1.54 0.02 . 1 . . . . 70 ALA HB1 . 19671 1 557 . 1 1 70 70 ALA C C 13 175.9 0.3 . 1 . . . . 70 ALA C . 19671 1 558 . 1 1 70 70 ALA CA C 13 50 0.3 . 1 . . . . 70 ALA CA . 19671 1 559 . 1 1 70 70 ALA CB C 13 20.7 0.3 . 1 . . . . 70 ALA CB . 19671 1 560 . 1 1 70 70 ALA N N 15 133.1 0.3 . 1 . . . . 70 ALA N . 19671 1 561 . 1 1 71 71 THR H H 1 8.66 0.02 . 1 . . . . 71 THR H . 19671 1 562 . 1 1 71 71 THR HA H 1 5.18 0.02 . 1 . . . . 71 THR HA . 19671 1 563 . 1 1 71 71 THR HB H 1 3.66 0.02 . 1 . . . . 71 THR HB . 19671 1 564 . 1 1 71 71 THR HG21 H 1 0.78 0.02 . 1 . . . . 71 THR HG2 . 19671 1 565 . 1 1 71 71 THR HG22 H 1 0.78 0.02 . 1 . . . . 71 THR HG2 . 19671 1 566 . 1 1 71 71 THR HG23 H 1 0.78 0.02 . 1 . . . . 71 THR HG2 . 19671 1 567 . 1 1 71 71 THR C C 13 172.8 0.3 . 1 . . . . 71 THR C . 19671 1 568 . 1 1 71 71 THR CA C 13 61.5 0.3 . 1 . . . . 71 THR CA . 19671 1 569 . 1 1 71 71 THR CB C 13 70.9 0.3 . 1 . . . . 71 THR CB . 19671 1 570 . 1 1 71 71 THR CG2 C 13 21.5 0.3 . 1 . . . . 71 THR CG2 . 19671 1 571 . 1 1 71 71 THR N N 15 117.6 0.3 . 1 . . . . 71 THR N . 19671 1 572 . 1 1 72 72 LEU H H 1 8.75 0.02 . 1 . . . . 72 LEU H . 19671 1 573 . 1 1 72 72 LEU HA H 1 4.34 0.02 . 1 . . . . 72 LEU HA . 19671 1 574 . 1 1 72 72 LEU HB2 H 1 0.27 0.02 . 2 . . . . 72 LEU HB1 . 19671 1 575 . 1 1 72 72 LEU HB3 H 1 0.33 0.02 . 2 . . . . 72 LEU HB2 . 19671 1 576 . 1 1 72 72 LEU HG H 1 -0.7 0.02 . 1 . . . . 72 LEU HG . 19671 1 577 . 1 1 72 72 LEU HD11 H 1 -1.64 0.02 . 1 . . . . 72 LEU HD11 . 19671 1 578 . 1 1 72 72 LEU HD12 H 1 -1.64 0.02 . 1 . . . . 72 LEU HD11 . 19671 1 579 . 1 1 72 72 LEU HD13 H 1 -1.64 0.02 . 1 . . . . 72 LEU HD11 . 19671 1 580 . 1 1 72 72 LEU HD21 H 1 -1.55 0.02 . 1 . . . . 72 LEU HD21 . 19671 1 581 . 1 1 72 72 LEU HD22 H 1 -1.55 0.02 . 1 . . . . 72 LEU HD21 . 19671 1 582 . 1 1 72 72 LEU HD23 H 1 -1.55 0.02 . 1 . . . . 72 LEU HD21 . 19671 1 583 . 1 1 72 72 LEU C C 13 174.4 0.3 . 1 . . . . 72 LEU C . 19671 1 584 . 1 1 72 72 LEU CA C 13 51.3 0.3 . 1 . . . . 72 LEU CA . 19671 1 585 . 1 1 72 72 LEU N N 15 132.6 0.3 . 1 . . . . 72 LEU N . 19671 1 586 . 1 1 73 73 THR H H 1 8.94 0.02 . 1 . . . . 73 THR H . 19671 1 587 . 1 1 73 73 THR HA H 1 4.86 0.02 . 1 . . . . 73 THR HA . 19671 1 588 . 1 1 73 73 THR HB H 1 3.58 0.02 . 1 . . . . 73 THR HB . 19671 1 589 . 1 1 73 73 THR HG21 H 1 0.81 0.02 . 1 . . . . 73 THR HG2 . 19671 1 590 . 1 1 73 73 THR HG22 H 1 0.81 0.02 . 1 . . . . 73 THR HG2 . 19671 1 591 . 1 1 73 73 THR HG23 H 1 0.81 0.02 . 1 . . . . 73 THR HG2 . 19671 1 592 . 1 1 73 73 THR C C 13 173 0.3 . 1 . . . . 73 THR C . 19671 1 593 . 1 1 73 73 THR CA C 13 61 0.3 . 1 . . . . 73 THR CA . 19671 1 594 . 1 1 73 73 THR CB C 13 69.8 0.3 . 1 . . . . 73 THR CB . 19671 1 595 . 1 1 73 73 THR CG2 C 13 21.7 0.3 . 1 . . . . 73 THR CG2 . 19671 1 596 . 1 1 73 73 THR N N 15 124.1 0.3 . 1 . . . . 73 THR N . 19671 1 597 . 1 1 74 74 ILE H H 1 8.79 0.02 . 1 . . . . 74 ILE H . 19671 1 598 . 1 1 74 74 ILE HA H 1 4.15 0.02 . 1 . . . . 74 ILE HA . 19671 1 599 . 1 1 74 74 ILE HB H 1 1.42 0.02 . 1 . . . . 74 ILE HB . 19671 1 600 . 1 1 74 74 ILE HG21 H 1 -0.04 0.02 . 1 . . . . 74 ILE HG21 . 19671 1 601 . 1 1 74 74 ILE HG22 H 1 -0.04 0.02 . 1 . . . . 74 ILE HG22 . 19671 1 602 . 1 1 74 74 ILE HG23 H 1 -0.04 0.02 . 1 . . . . 74 ILE HG23 . 19671 1 603 . 1 1 74 74 ILE C C 13 176.5 0.3 . 1 . . . . 74 ILE C . 19671 1 604 . 1 1 74 74 ILE CA C 13 59.7 0.3 . 1 . . . . 74 ILE CA . 19671 1 605 . 1 1 74 74 ILE N N 15 126.3 0.3 . 1 . . . . 74 ILE N . 19671 1 606 . 1 1 75 75 SER H H 1 8.54 0.02 . 1 . . . . 75 SER H . 19671 1 607 . 1 1 75 75 SER HA H 1 4.48 0.02 . 1 . . . . 75 SER HA . 19671 1 608 . 1 1 75 75 SER HB2 H 1 3.7 0.02 . 2 . . . . 75 SER HB1 . 19671 1 609 . 1 1 75 75 SER HB3 H 1 3.64 0.02 . 2 . . . . 75 SER HB2 . 19671 1 610 . 1 1 75 75 SER C C 13 174.6 0.3 . 1 . . . . 75 SER C . 19671 1 611 . 1 1 75 75 SER CA C 13 57.2 0.3 . 1 . . . . 75 SER CA . 19671 1 612 . 1 1 75 75 SER CB C 13 63.6 0.3 . 1 . . . . 75 SER CB . 19671 1 613 . 1 1 75 75 SER N N 15 121.2 0.3 . 1 . . . . 75 SER N . 19671 1 614 . 1 1 76 76 GLY H H 1 8.37 0.02 . 1 . . . . 76 GLY H . 19671 1 615 . 1 1 76 76 GLY HA2 H 1 3.55 0.02 . 2 . . . . 76 GLY HA1 . 19671 1 616 . 1 1 76 76 GLY HA3 H 1 3.45 0.02 . 2 . . . . 76 GLY HA2 . 19671 1 617 . 1 1 76 76 GLY C C 13 174.8 0.3 . 1 . . . . 76 GLY C . 19671 1 618 . 1 1 76 76 GLY CA C 13 47.4 0.3 . 1 . . . . 76 GLY CA . 19671 1 619 . 1 1 76 76 GLY N N 15 110.8 0.3 . 1 . . . . 76 GLY N . 19671 1 620 . 1 1 77 77 THR H H 1 7.28 0.02 . 1 . . . . 77 THR H . 19671 1 621 . 1 1 77 77 THR HA H 1 3.53 0.02 . 1 . . . . 77 THR HA . 19671 1 622 . 1 1 77 77 THR HB H 1 3.74 0.02 . 1 . . . . 77 THR HB . 19671 1 623 . 1 1 77 77 THR HG21 H 1 1.05 0.02 . 1 . . . . 77 THR HG2 . 19671 1 624 . 1 1 77 77 THR HG22 H 1 1.05 0.02 . 1 . . . . 77 THR HG2 . 19671 1 625 . 1 1 77 77 THR HG23 H 1 1.05 0.02 . 1 . . . . 77 THR HG2 . 19671 1 626 . 1 1 77 77 THR C C 13 174.5 0.3 . 1 . . . . 77 THR C . 19671 1 627 . 1 1 77 77 THR CA C 13 65.1 0.3 . 1 . . . . 77 THR CA . 19671 1 628 . 1 1 77 77 THR CB C 13 68.9 0.3 . 1 . . . . 77 THR CB . 19671 1 629 . 1 1 77 77 THR CG2 C 13 23.1 0.3 . 1 . . . . 77 THR CG2 . 19671 1 630 . 1 1 77 77 THR N N 15 112 0.3 . 1 . . . . 77 THR N . 19671 1 631 . 1 1 78 78 GLN H H 1 9.06 0.02 . 1 . . . . 78 GLN H . 19671 1 632 . 1 1 78 78 GLN HA H 1 4.65 0.02 . 1 . . . . 78 GLN HA . 19671 1 633 . 1 1 78 78 GLN HB2 H 1 1.72 0.02 . 2 . . . . 78 GLN HB1 . 19671 1 634 . 1 1 78 78 GLN HB3 H 1 1.68 0.02 . 2 . . . . 78 GLN HB2 . 19671 1 635 . 1 1 78 78 GLN HG2 H 1 2.4 0.02 . 2 . . . . 78 GLN HG1 . 19671 1 636 . 1 1 78 78 GLN HG3 H 1 2.36 0.02 . 2 . . . . 78 GLN HG2 . 19671 1 637 . 1 1 78 78 GLN HE21 H 1 7.9 0.02 . 1 . . . . 78 GLN HE21 . 19671 1 638 . 1 1 78 78 GLN HE22 H 1 7.63 0.02 . 1 . . . . 78 GLN HE22 . 19671 1 639 . 1 1 78 78 GLN C C 13 176.7 0.3 . 1 . . . . 78 GLN C . 19671 1 640 . 1 1 78 78 GLN CA C 13 53 0.3 . 1 . . . . 78 GLN CA . 19671 1 641 . 1 1 78 78 GLN CB C 13 32.6 0.3 . 1 . . . . 78 GLN CB . 19671 1 642 . 1 1 78 78 GLN N N 15 124.6 0.3 . 1 . . . . 78 GLN N . 19671 1 643 . 1 1 78 78 GLN NE2 N 15 112.1 0.3 . 1 . . . . 78 GLN NE2 . 19671 1 644 . 1 1 79 79 ALA H H 1 9.19 0.02 . 1 . . . . 79 ALA H . 19671 1 645 . 1 1 79 79 ALA HA H 1 3.91 0.02 . 1 . . . . 79 ALA HA . 19671 1 646 . 1 1 79 79 ALA HB1 H 1 1.46 0.02 . 1 . . . . 79 ALA HB1 . 19671 1 647 . 1 1 79 79 ALA HB2 H 1 1.46 0.02 . 1 . . . . 79 ALA HB1 . 19671 1 648 . 1 1 79 79 ALA HB3 H 1 1.46 0.02 . 1 . . . . 79 ALA HB1 . 19671 1 649 . 1 1 79 79 ALA C C 13 180.4 0.3 . 1 . . . . 79 ALA C . 19671 1 650 . 1 1 79 79 ALA CA C 13 56 0.3 . 1 . . . . 79 ALA CA . 19671 1 651 . 1 1 79 79 ALA CB C 13 17.3 0.3 . 1 . . . . 79 ALA CB . 19671 1 652 . 1 1 79 79 ALA N N 15 125 0.3 . 1 . . . . 79 ALA N . 19671 1 653 . 1 1 80 80 MET H H 1 8.27 0.02 . 1 . . . . 80 MET H . 19671 1 654 . 1 1 80 80 MET HA H 1 4.37 0.02 . 1 . . . . 80 MET HA . 19671 1 655 . 1 1 80 80 MET HB2 H 1 2.16 0.02 . 2 . . . . 80 MET HB1 . 19671 1 656 . 1 1 80 80 MET HB3 H 1 2.21 0.02 . 2 . . . . 80 MET HB2 . 19671 1 657 . 1 1 80 80 MET HG2 H 1 2.45 0.02 . 2 . . . . 80 MET HG1 . 19671 1 658 . 1 1 80 80 MET HG3 H 1 2.39 0.02 . 2 . . . . 80 MET HG2 . 19671 1 659 . 1 1 80 80 MET HE1 H 1 2.12 0.02 . 1 . . . . 80 MET HE . 19671 1 660 . 1 1 80 80 MET HE2 H 1 2.12 0.02 . 1 . . . . 80 MET HE . 19671 1 661 . 1 1 80 80 MET HE3 H 1 2.12 0.02 . 1 . . . . 80 MET HE . 19671 1 662 . 1 1 80 80 MET C C 13 175.4 0.3 . 1 . . . . 80 MET C . 19671 1 663 . 1 1 80 80 MET CA C 13 57.2 0.3 . 1 . . . . 80 MET CA . 19671 1 664 . 1 1 80 80 MET CB C 13 31.9 0.3 . 1 . . . . 80 MET CB . 19671 1 665 . 1 1 80 80 MET CE C 13 16.5 0.3 . 1 . . . . 80 MET CE . 19671 1 666 . 1 1 80 80 MET N N 15 112.7 0.3 . 1 . . . . 80 MET N . 19671 1 667 . 1 1 81 81 ASP H H 1 8.29 0.02 . 1 . . . . 81 ASP H . 19671 1 668 . 1 1 81 81 ASP HA H 1 4.58 0.02 . 1 . . . . 81 ASP HA . 19671 1 669 . 1 1 81 81 ASP HB2 H 1 2.84 0.02 . 2 . . . . 81 ASP HB1 . 19671 1 670 . 1 1 81 81 ASP HB3 H 1 2.77 0.02 . 2 . . . . 81 ASP HB2 . 19671 1 671 . 1 1 81 81 ASP C C 13 177.3 0.3 . 1 . . . . 81 ASP C . 19671 1 672 . 1 1 81 81 ASP CA C 13 54.4 0.3 . 1 . . . . 81 ASP CA . 19671 1 673 . 1 1 81 81 ASP CB C 13 40.8 0.3 . 1 . . . . 81 ASP CB . 19671 1 674 . 1 1 81 81 ASP N N 15 119.3 0.3 . 1 . . . . 81 ASP N . 19671 1 675 . 1 1 82 82 GLU H H 1 7.6 0.02 . 1 . . . . 82 GLU H . 19671 1 676 . 1 1 82 82 GLU HA H 1 4.08 0.02 . 1 . . . . 82 GLU HA . 19671 1 677 . 1 1 82 82 GLU HB2 H 1 2.15 0.02 . 2 . . . . 82 GLU HB1 . 19671 1 678 . 1 1 82 82 GLU HB3 H 1 2.25 0.02 . 2 . . . . 82 GLU HB2 . 19671 1 679 . 1 1 82 82 GLU HG2 H 1 3.07 0.02 . 2 . . . . 82 GLU HG1 . 19671 1 680 . 1 1 82 82 GLU HG3 H 1 3.03 0.02 . 2 . . . . 82 GLU HG2 . 19671 1 681 . 1 1 82 82 GLU C C 13 175.2 0.3 . 1 . . . . 82 GLU C . 19671 1 682 . 1 1 82 82 GLU CA C 13 59.1 0.3 . 1 . . . . 82 GLU CA . 19671 1 683 . 1 1 82 82 GLU CB C 13 29.9 0.3 . 1 . . . . 82 GLU CB . 19671 1 684 . 1 1 82 82 GLU CG C 13 36.7 0.3 . 1 . . . . 82 GLU CG . 19671 1 685 . 1 1 82 82 GLU N N 15 121.9 0.3 . 1 . . . . 82 GLU N . 19671 1 686 . 1 1 83 83 ALA H H 1 8.08 0.02 . 1 . . . . 83 ALA H . 19671 1 687 . 1 1 83 83 ALA HA H 1 4.4 0.02 . 1 . . . . 83 ALA HA . 19671 1 688 . 1 1 83 83 ALA HB1 H 1 0.98 0.02 . 1 . . . . 83 ALA HB1 . 19671 1 689 . 1 1 83 83 ALA HB2 H 1 0.98 0.02 . 1 . . . . 83 ALA HB1 . 19671 1 690 . 1 1 83 83 ALA HB3 H 1 0.98 0.02 . 1 . . . . 83 ALA HB1 . 19671 1 691 . 1 1 83 83 ALA C C 13 174.4 0.3 . 1 . . . . 83 ALA C . 19671 1 692 . 1 1 83 83 ALA CA C 13 51.4 0.3 . 1 . . . . 83 ALA CA . 19671 1 693 . 1 1 83 83 ALA CB C 13 20.8 0.3 . 1 . . . . 83 ALA CB . 19671 1 694 . 1 1 83 83 ALA N N 15 126.3 0.3 . 1 . . . . 83 ALA N . 19671 1 695 . 1 1 84 84 ASP H H 1 7.93 0.02 . 1 . . . . 84 ASP H . 19671 1 696 . 1 1 84 84 ASP HA H 1 5.66 0.02 . 1 . . . . 84 ASP HA . 19671 1 697 . 1 1 84 84 ASP HB2 H 1 2.63 0.02 . 2 . . . . 84 ASP HB1 . 19671 1 698 . 1 1 84 84 ASP HB3 H 1 2.19 0.02 . 2 . . . . 84 ASP HB2 . 19671 1 699 . 1 1 84 84 ASP C C 13 175.3 0.3 . 1 . . . . 84 ASP C . 19671 1 700 . 1 1 84 84 ASP CA C 13 53.7 0.3 . 1 . . . . 84 ASP CA . 19671 1 701 . 1 1 84 84 ASP CB C 13 43.2 0.3 . 1 . . . . 84 ASP CB . 19671 1 702 . 1 1 84 84 ASP N N 15 117.7 0.3 . 1 . . . . 84 ASP N . 19671 1 703 . 1 1 85 85 TYR H H 1 9.39 0.02 . 1 . . . . 85 TYR H . 19671 1 704 . 1 1 85 85 TYR HA H 1 5.66 0.02 . 1 . . . . 85 TYR HA . 19671 1 705 . 1 1 85 85 TYR HB2 H 1 2.8 0.02 . 2 . . . . 85 TYR HB1 . 19671 1 706 . 1 1 85 85 TYR HB3 H 1 2.83 0.02 . 2 . . . . 85 TYR HB2 . 19671 1 707 . 1 1 85 85 TYR HD2 H 1 6.99 0.02 . 1 . . . . 85 TYR HD2 . 19671 1 708 . 1 1 85 85 TYR HE2 H 1 6.91 0.02 . 1 . . . . 85 TYR HE2 . 19671 1 709 . 1 1 85 85 TYR C C 13 176.6 0.3 . 1 . . . . 85 TYR C . 19671 1 710 . 1 1 85 85 TYR CA C 13 56.9 0.3 . 1 . . . . 85 TYR CA . 19671 1 711 . 1 1 85 85 TYR CB C 13 41.8 0.3 . 1 . . . . 85 TYR CB . 19671 1 712 . 1 1 85 85 TYR N N 15 119.5 0.3 . 1 . . . . 85 TYR N . 19671 1 713 . 1 1 86 86 TYR H H 1 9.97 0.02 . 1 . . . . 86 TYR H . 19671 1 714 . 1 1 86 86 TYR HA H 1 4.85 0.02 . 1 . . . . 86 TYR HA . 19671 1 715 . 1 1 86 86 TYR HB2 H 1 3.36 0.02 . 2 . . . . 86 TYR HB1 . 19671 1 716 . 1 1 86 86 TYR HB3 H 1 3.33 0.02 . 2 . . . . 86 TYR HB2 . 19671 1 717 . 1 1 86 86 TYR HD2 H 1 6.99 0.02 . 1 . . . . 86 TYR HD2 . 19671 1 718 . 1 1 86 86 TYR HE2 H 1 6.88 0.02 . 1 . . . . 86 TYR HE2 . 19671 1 719 . 1 1 86 86 TYR C C 13 176.4 0.3 . 1 . . . . 86 TYR C . 19671 1 720 . 1 1 86 86 TYR CA C 13 58.1 0.3 . 1 . . . . 86 TYR CA . 19671 1 721 . 1 1 86 86 TYR CB C 13 41.6 0.3 . 1 . . . . 86 TYR CB . 19671 1 722 . 1 1 86 86 TYR N N 15 124.1 0.3 . 1 . . . . 86 TYR N . 19671 1 723 . 1 1 87 87 CYS H H 1 8.02 0.02 . 1 . . . . 87 CYS H . 19671 1 724 . 1 1 87 87 CYS HA H 1 4.98 0.02 . 1 . . . . 87 CYS HA . 19671 1 725 . 1 1 87 87 CYS HB2 H 1 1.7 0.02 . 2 . . . . 87 CYS HB1 . 19671 1 726 . 1 1 87 87 CYS HB3 H 1 1.89 0.02 . 2 . . . . 87 CYS HB2 . 19671 1 727 . 1 1 87 87 CYS C C 13 173.5 0.3 . 1 . . . . 87 CYS C . 19671 1 728 . 1 1 87 87 CYS CA C 13 53 0.3 . 1 . . . . 87 CYS CA . 19671 1 729 . 1 1 87 87 CYS CB C 13 45.8 0.3 . 1 . . . . 87 CYS CB . 19671 1 730 . 1 1 87 87 CYS N N 15 119 0.3 . 1 . . . . 87 CYS N . 19671 1 731 . 1 1 88 88 GLN H H 1 9.23 0.02 . 1 . . . . 88 GLN H . 19671 1 732 . 1 1 88 88 GLN HA H 1 4.8 0.02 . 1 . . . . 88 GLN HA . 19671 1 733 . 1 1 88 88 GLN HB2 H 1 1.95 0.02 . 2 . . . . 88 GLN HB1 . 19671 1 734 . 1 1 88 88 GLN HB3 H 1 2.01 0.02 . 2 . . . . 88 GLN HB2 . 19671 1 735 . 1 1 88 88 GLN CA C 13 53.6 0.3 . 1 . . . . 88 GLN CA . 19671 1 736 . 1 1 88 88 GLN CB C 13 33.1 0.3 . 1 . . . . 88 GLN CB . 19671 1 737 . 1 1 88 88 GLN N N 15 122.6 0.3 . 1 . . . . 88 GLN N . 19671 1 738 . 1 1 99 99 GLY H H 1 8.6 0.02 . 1 . . . . 99 GLY H . 19671 1 739 . 1 1 99 99 GLY HA2 H 1 4.11 0.02 . 2 . . . . 99 GLY HA1 . 19671 1 740 . 1 1 99 99 GLY HA3 H 1 5.08 0.02 . 2 . . . . 99 GLY HA2 . 19671 1 741 . 1 1 99 99 GLY C C 13 175.1 0.3 . 1 . . . . 99 GLY C . 19671 1 742 . 1 1 99 99 GLY CA C 13 44 0.3 . 1 . . . . 99 GLY CA . 19671 1 743 . 1 1 99 99 GLY N N 15 108.4 0.3 . 1 . . . . 99 GLY N . 19671 1 744 . 1 1 100 100 GLY H H 1 8.29 0.02 . 1 . . . . 100 GLY H . 19671 1 745 . 1 1 100 100 GLY HA2 H 1 4.78 0.02 . 2 . . . . 100 GLY HA1 . 19671 1 746 . 1 1 100 100 GLY HA3 H 1 3.26 0.02 . 2 . . . . 100 GLY HA2 . 19671 1 747 . 1 1 100 100 GLY C C 13 174.9 0.3 . 1 . . . . 100 GLY C . 19671 1 748 . 1 1 100 100 GLY CA C 13 45 0.3 . 1 . . . . 100 GLY CA . 19671 1 749 . 1 1 100 100 GLY N N 15 105.5 0.3 . 1 . . . . 100 GLY N . 19671 1 750 . 1 1 101 101 GLY H H 1 6.98 0.02 . 1 . . . . 101 GLY H . 19671 1 751 . 1 1 101 101 GLY HA2 H 1 3.14 0.02 . 2 . . . . 101 GLY HA1 . 19671 1 752 . 1 1 101 101 GLY HA3 H 1 3.72 0.02 . 2 . . . . 101 GLY HA2 . 19671 1 753 . 1 1 101 101 GLY C C 13 171.9 0.3 . 1 . . . . 101 GLY C . 19671 1 754 . 1 1 101 101 GLY CA C 13 44.9 0.3 . 1 . . . . 101 GLY CA . 19671 1 755 . 1 1 101 101 GLY N N 15 106.6 0.3 . 1 . . . . 101 GLY N . 19671 1 756 . 1 1 102 102 THR H H 1 8.1 0.02 . 1 . . . . 102 THR H . 19671 1 757 . 1 1 102 102 THR HA H 1 4.67 0.02 . 1 . . . . 102 THR HA . 19671 1 758 . 1 1 102 102 THR HB H 1 3.67 0.02 . 1 . . . . 102 THR HB . 19671 1 759 . 1 1 102 102 THR HG21 H 1 1.07 0.02 . 1 . . . . 102 THR HG2 . 19671 1 760 . 1 1 102 102 THR HG22 H 1 1.07 0.02 . 1 . . . . 102 THR HG2 . 19671 1 761 . 1 1 102 102 THR HG23 H 1 1.07 0.02 . 1 . . . . 102 THR HG2 . 19671 1 762 . 1 1 102 102 THR C C 13 173.7 0.3 . 1 . . . . 102 THR C . 19671 1 763 . 1 1 102 102 THR CA C 13 61.1 0.3 . 1 . . . . 102 THR CA . 19671 1 764 . 1 1 102 102 THR CB C 13 73.5 0.3 . 1 . . . . 102 THR CB . 19671 1 765 . 1 1 102 102 THR CG2 C 13 21.3 0.3 . 1 . . . . 102 THR CG2 . 19671 1 766 . 1 1 102 102 THR N N 15 118.3 0.3 . 1 . . . . 102 THR N . 19671 1 767 . 1 1 103 103 LYS H H 1 8.42 0.02 . 1 . . . . 103 LYS H . 19671 1 768 . 1 1 103 103 LYS HA H 1 4.86 0.02 . 1 . . . . 103 LYS HA . 19671 1 769 . 1 1 103 103 LYS HB2 H 1 1.89 0.02 . 2 . . . . 103 LYS HB1 . 19671 1 770 . 1 1 103 103 LYS HB3 H 1 1.84 0.02 . 2 . . . . 103 LYS HB2 . 19671 1 771 . 1 1 103 103 LYS C C 13 175 0.3 . 1 . . . . 103 LYS C . 19671 1 772 . 1 1 103 103 LYS CA C 13 56.1 0.3 . 1 . . . . 103 LYS CA . 19671 1 773 . 1 1 103 103 LYS CB C 13 32.4 0.3 . 1 . . . . 103 LYS CB . 19671 1 774 . 1 1 103 103 LYS N N 15 128.6 0.3 . 1 . . . . 103 LYS N . 19671 1 775 . 1 1 104 104 LEU H H 1 9.14 0.02 . 1 . . . . 104 LEU H . 19671 1 776 . 1 1 104 104 LEU HA H 1 5.51 0.02 . 1 . . . . 104 LEU HA . 19671 1 777 . 1 1 104 104 LEU HB2 H 1 2.51 0.02 . 1 . . . . 104 LEU HB1 . 19671 1 778 . 1 1 104 104 LEU HG H 1 1.34 0.02 . 1 . . . . 104 LEU HG . 19671 1 779 . 1 1 104 104 LEU HD11 H 1 0.67 0.02 . 1 . . . . 104 LEU HD11 . 19671 1 780 . 1 1 104 104 LEU HD12 H 1 0.67 0.02 . 1 . . . . 104 LEU HD11 . 19671 1 781 . 1 1 104 104 LEU HD13 H 1 0.67 0.02 . 1 . . . . 104 LEU HD11 . 19671 1 782 . 1 1 104 104 LEU HD21 H 1 0.74 0.02 . 1 . . . . 104 LEU HD21 . 19671 1 783 . 1 1 104 104 LEU HD22 H 1 0.74 0.02 . 1 . . . . 104 LEU HD21 . 19671 1 784 . 1 1 104 104 LEU HD23 H 1 0.74 0.02 . 1 . . . . 104 LEU HD21 . 19671 1 785 . 1 1 104 104 LEU C C 13 175.9 0.3 . 1 . . . . 104 LEU C . 19671 1 786 . 1 1 104 104 LEU CA C 13 54.2 0.3 . 1 . . . . 104 LEU CA . 19671 1 787 . 1 1 104 104 LEU CD1 C 13 20.8 0.3 . 1 . . . . 104 LEU CD1 . 19671 1 788 . 1 1 104 104 LEU CD2 C 13 20.6 0.3 . 1 . . . . 104 LEU CD2 . 19671 1 789 . 1 1 104 104 LEU N N 15 133.8 0.3 . 1 . . . . 104 LEU N . 19671 1 790 . 1 1 105 105 THR H H 1 8.89 0.02 . 1 . . . . 105 THR H . 19671 1 791 . 1 1 105 105 THR HA H 1 4.57 0.02 . 1 . . . . 105 THR HA . 19671 1 792 . 1 1 105 105 THR HB H 1 4.01 0.02 . 1 . . . . 105 THR HB . 19671 1 793 . 1 1 105 105 THR HG21 H 1 1.15 0.02 . 1 . . . . 105 THR HG2 . 19671 1 794 . 1 1 105 105 THR HG22 H 1 1.15 0.02 . 1 . . . . 105 THR HG2 . 19671 1 795 . 1 1 105 105 THR HG23 H 1 1.15 0.02 . 1 . . . . 105 THR HG2 . 19671 1 796 . 1 1 105 105 THR C C 13 172.7 0.3 . 1 . . . . 105 THR C . 19671 1 797 . 1 1 105 105 THR CA C 13 61.1 0.3 . 1 . . . . 105 THR CA . 19671 1 798 . 1 1 105 105 THR CB C 13 70.9 0.3 . 1 . . . . 105 THR CB . 19671 1 799 . 1 1 105 105 THR CG2 C 13 21.3 0.3 . 1 . . . . 105 THR CG2 . 19671 1 800 . 1 1 105 105 THR N N 15 123.1 0.3 . 1 . . . . 105 THR N . 19671 1 801 . 1 1 106 106 VAL H H 1 8.92 0.02 . 1 . . . . 106 VAL H . 19671 1 802 . 1 1 106 106 VAL HA H 1 4.83 0.02 . 1 . . . . 106 VAL HA . 19671 1 803 . 1 1 106 106 VAL HB H 1 1.9 0.02 . 1 . . . . 106 VAL HB . 19671 1 804 . 1 1 106 106 VAL HG11 H 1 0.63 0.02 . 1 . . . . 106 VAL HG11 . 19671 1 805 . 1 1 106 106 VAL HG12 H 1 0.63 0.02 . 1 . . . . 106 VAL HG11 . 19671 1 806 . 1 1 106 106 VAL HG13 H 1 0.63 0.02 . 1 . . . . 106 VAL HG11 . 19671 1 807 . 1 1 106 106 VAL HG21 H 1 0.57 0.02 . 1 . . . . 106 VAL HG21 . 19671 1 808 . 1 1 106 106 VAL HG22 H 1 0.57 0.02 . 1 . . . . 106 VAL HG21 . 19671 1 809 . 1 1 106 106 VAL HG23 H 1 0.57 0.02 . 1 . . . . 106 VAL HG21 . 19671 1 810 . 1 1 106 106 VAL C C 13 175.2 0.3 . 1 . . . . 106 VAL C . 19671 1 811 . 1 1 106 106 VAL CA C 13 60.7 0.3 . 1 . . . . 106 VAL CA . 19671 1 812 . 1 1 106 106 VAL CB C 13 32.1 0.3 . 1 . . . . 106 VAL CB . 19671 1 813 . 1 1 106 106 VAL CG1 C 13 20.6 0.3 . 1 . . . . 106 VAL CG1 . 19671 1 814 . 1 1 106 106 VAL CG2 C 13 20.4 0.3 . 1 . . . . 106 VAL CG2 . 19671 1 815 . 1 1 106 106 VAL N N 15 126.6 0.3 . 1 . . . . 106 VAL N . 19671 1 816 . 1 1 107 107 LEU H H 1 8.59 0.02 . 1 . . . . 107 LEU H . 19671 1 817 . 1 1 107 107 LEU HA H 1 4.08 0.02 . 1 . . . . 107 LEU HA . 19671 1 818 . 1 1 107 107 LEU HB2 H 1 1.53 0.02 . 2 . . . . 107 LEU HB1 . 19671 1 819 . 1 1 107 107 LEU HB3 H 1 1.47 0.02 . 2 . . . . 107 LEU HB2 . 19671 1 820 . 1 1 107 107 LEU HG H 1 0.78 0.02 . 1 . . . . 107 LEU HG . 19671 1 821 . 1 1 107 107 LEU CA C 13 57.6 0.3 . 1 . . . . 107 LEU CA . 19671 1 822 . 1 1 107 107 LEU N N 15 133.7 0.3 . 1 . . . . 107 LEU N . 19671 1 stop_ save_