data_16277 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16277 _Entry.Title ; Solution structure of the Actuator domain of the copper-transporting ATPase ATP7A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-06 _Entry.Accession_date 2009-05-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Lucia Banci . . . 16277 2 Ivano Bertini . . . 16277 3 Francesca Cantini . . . 16277 4 Manuele Migliardi . . . 16277 5 Fiorentin Nushi . . . 16277 6 Giovanni Natile . . . 16277 7 Antonio Rosato . . . 16277 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'Structural Proteomics in Europe' . 16277 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Actuator . 16277 ATP7A . 16277 'Menkes disease' . 16277 NMR . 16277 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16277 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 16277 '15N chemical shifts' 122 16277 '1H chemical shifts' 834 16277 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 2 . . 2010-06-03 2009-05-06 update BMRB 'edit assembly name' 16277 1 . . 2009-09-04 2009-05-06 original author 'original release' 16277 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KIJ 'BMRB Entry Tracking System' 16277 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 16277 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19645496 _Citation.Full_citation . _Citation.Title 'SOLUTION STRUCTURES OF THE ACTUATOR DOMAIN OF ATP7A AND ATP7B, THE MENKES AND WILSON DISEASE PROTEINS' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 33 _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 7849 _Citation.Page_last 7855 _Citation.Year 2009 _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 Lucia Banci . . . 16277 1 2 Ivano Bertini . . . 16277 1 3 Francesca Cantini . . . 16277 1 4 Manuele Migliardi . . . 16277 1 5 Fiorentin Nushi . . . 16277 1 6 Giovanni Natile . . . 16277 1 7 Antonio Rosato . . . 16277 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16277 _Assembly.ID 1 _Assembly.Name ATP7A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Actd 1 $Actd A . yes native no no . . . 16277 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Actd _Entity.Sf_category entity _Entity.Sf_framecode Actd _Entity.Entry_ID 16277 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Actd _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEALAKLISLQATEATIVTL DSDNILLSEEQVDVELVQRG DIIKVVPGGKFPVDGRVIEG HSMVDESLITGEAMPVAKKP GSTVIAGSINQNGSLLICAT HVGADTTLSQIVKLVEEAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; S 1 E 2 A 3 ; _Entity.Polymer_author_seq_details 'Residues GSFTM at the N-terminus represent a non-native tag and they have been removed from the coordinates file' _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'actuator domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KIJ . "Solution Structure Of The Actuator Domain Of The Copper- Transporting Atpase Atp7a" . . . . . 100.00 124 100.00 100.00 2.68e-76 . . . . 16277 1 2 no DBJ BAF62333 . "ATPase, Cu(2+)-transporting, alpha polypeptide [Sus scrofa]" . . . . . 100.00 1288 98.32 98.32 8.92e-66 . . . . 16277 1 3 no EMBL CAB08162 . "Menkes Disease (ATP7A) [Homo sapiens]" . . . . . 100.00 1376 99.16 99.16 4.84e-68 . . . . 16277 1 4 no EMBL CAB94714 . "Menkes disease [Homo sapiens]" . . . . . 100.00 1500 100.00 100.00 1.27e-68 . . . . 16277 1 5 no GB AAA35580 . "Cu++-transporting P-type ATPase [Homo sapiens]" . . . . . 100.00 1500 100.00 100.00 1.27e-68 . . . . 16277 1 6 no GB AAA96010 . "Menkes disease gene, partial [Homo sapiens]" . . . . . 100.00 1447 100.00 100.00 1.19e-68 . . . . 16277 1 7 no GB AAB39918 . "copper-binding ATPase, partial [Cricetulus griseus]" . . . . . 100.00 1476 100.00 100.00 1.28e-68 . . . . 16277 1 8 no GB AAI56438 . "ATPase, Cu++ transporting, alpha polypeptide, partial [synthetic construct]" . . . . . 100.00 1500 100.00 100.00 1.37e-68 . . . . 16277 1 9 no GB EAW98605 . "ATPase, Cu++ transporting, alpha polypeptide (Menkes syndrome), isoform CRA_a [Homo sapiens]" . . . . . 100.00 1500 100.00 100.00 1.37e-68 . . . . 16277 1 10 no REF NP_000043 . "copper-transporting ATPase 1 isoform 1 [Homo sapiens]" . . . . . 100.00 1500 100.00 100.00 1.25e-68 . . . . 16277 1 11 no REF NP_001179781 . "copper-transporting ATPase 1 [Bos taurus]" . . . . . 100.00 1500 98.32 98.32 1.50e-65 . . . . 16277 1 12 no REF NP_001269153 . "copper-transporting ATPase 1 isoform 2 [Homo sapiens]" . . . . . 100.00 1422 100.00 100.00 1.42e-68 . . . . 16277 1 13 no REF XP_002720177 . "PREDICTED: copper-transporting ATPase 1 [Oryctolagus cuniculus]" . . . . . 100.00 1499 97.48 98.32 1.85e-65 . . . . 16277 1 14 no REF XP_002806338 . "PREDICTED: copper-transporting ATPase 1-like [Macaca mulatta]" . . . . . 100.00 1378 99.16 99.16 9.68e-67 . . . . 16277 1 15 no SP P49015 . "RecName: Full=Copper-transporting ATPase 1; AltName: Full=Copper pump 1" . . . . . 100.00 1476 100.00 100.00 1.28e-68 . . . . 16277 1 16 no SP Q04656 . "RecName: Full=Copper-transporting ATPase 1; AltName: Full=Copper pump 1; AltName: Full=Menkes disease-associated protein" . . . . . 100.00 1500 100.00 100.00 1.37e-68 . . . . 16277 1 17 no TPG DAA12973 . "TPA: ATPase, Cu++ transporting, alpha polypeptide [Bos taurus]" . . . . . 100.00 1500 98.32 98.32 1.50e-65 . . . . 16277 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'the Actuator or A domain of copper transporting ATPase has a regulatory function and is required for the phosphatase step of the catalytic cycle (dephosphorylation of the intermediate formed during ATP hydrolysis).' 16277 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 . 16277 1 2 2 GLU . 16277 1 3 3 ALA . 16277 1 4 4 LEU . 16277 1 5 5 ALA . 16277 1 6 6 LYS . 16277 1 7 7 LEU . 16277 1 8 8 ILE . 16277 1 9 9 SER . 16277 1 10 10 LEU . 16277 1 11 11 GLN . 16277 1 12 12 ALA . 16277 1 13 13 THR . 16277 1 14 14 GLU . 16277 1 15 15 ALA . 16277 1 16 16 THR . 16277 1 17 17 ILE . 16277 1 18 18 VAL . 16277 1 19 19 THR . 16277 1 20 20 LEU . 16277 1 21 21 ASP . 16277 1 22 22 SER . 16277 1 23 23 ASP . 16277 1 24 24 ASN . 16277 1 25 25 ILE . 16277 1 26 26 LEU . 16277 1 27 27 LEU . 16277 1 28 28 SER . 16277 1 29 29 GLU . 16277 1 30 30 GLU . 16277 1 31 31 GLN . 16277 1 32 32 VAL . 16277 1 33 33 ASP . 16277 1 34 34 VAL . 16277 1 35 35 GLU . 16277 1 36 36 LEU . 16277 1 37 37 VAL . 16277 1 38 38 GLN . 16277 1 39 39 ARG . 16277 1 40 40 GLY . 16277 1 41 41 ASP . 16277 1 42 42 ILE . 16277 1 43 43 ILE . 16277 1 44 44 LYS . 16277 1 45 45 VAL . 16277 1 46 46 VAL . 16277 1 47 47 PRO . 16277 1 48 48 GLY . 16277 1 49 49 GLY . 16277 1 50 50 LYS . 16277 1 51 51 PHE . 16277 1 52 52 PRO . 16277 1 53 53 VAL . 16277 1 54 54 ASP . 16277 1 55 55 GLY . 16277 1 56 56 ARG . 16277 1 57 57 VAL . 16277 1 58 58 ILE . 16277 1 59 59 GLU . 16277 1 60 60 GLY . 16277 1 61 61 HIS . 16277 1 62 62 SER . 16277 1 63 63 MET . 16277 1 64 64 VAL . 16277 1 65 65 ASP . 16277 1 66 66 GLU . 16277 1 67 67 SER . 16277 1 68 68 LEU . 16277 1 69 69 ILE . 16277 1 70 70 THR . 16277 1 71 71 GLY . 16277 1 72 72 GLU . 16277 1 73 73 ALA . 16277 1 74 74 MET . 16277 1 75 75 PRO . 16277 1 76 76 VAL . 16277 1 77 77 ALA . 16277 1 78 78 LYS . 16277 1 79 79 LYS . 16277 1 80 80 PRO . 16277 1 81 81 GLY . 16277 1 82 82 SER . 16277 1 83 83 THR . 16277 1 84 84 VAL . 16277 1 85 85 ILE . 16277 1 86 86 ALA . 16277 1 87 87 GLY . 16277 1 88 88 SER . 16277 1 89 89 ILE . 16277 1 90 90 ASN . 16277 1 91 91 GLN . 16277 1 92 92 ASN . 16277 1 93 93 GLY . 16277 1 94 94 SER . 16277 1 95 95 LEU . 16277 1 96 96 LEU . 16277 1 97 97 ILE . 16277 1 98 98 CYS . 16277 1 99 99 ALA . 16277 1 100 100 THR . 16277 1 101 101 HIS . 16277 1 102 102 VAL . 16277 1 103 103 GLY . 16277 1 104 104 ALA . 16277 1 105 105 ASP . 16277 1 106 106 THR . 16277 1 107 107 THR . 16277 1 108 108 LEU . 16277 1 109 109 SER . 16277 1 110 110 GLN . 16277 1 111 111 ILE . 16277 1 112 112 VAL . 16277 1 113 113 LYS . 16277 1 114 114 LEU . 16277 1 115 115 VAL . 16277 1 116 116 GLU . 16277 1 117 117 GLU . 16277 1 118 118 ALA . 16277 1 119 119 GLN . 16277 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 16277 1 . GLU 2 2 16277 1 . ALA 3 3 16277 1 . LEU 4 4 16277 1 . ALA 5 5 16277 1 . LYS 6 6 16277 1 . LEU 7 7 16277 1 . ILE 8 8 16277 1 . SER 9 9 16277 1 . LEU 10 10 16277 1 . GLN 11 11 16277 1 . ALA 12 12 16277 1 . THR 13 13 16277 1 . GLU 14 14 16277 1 . ALA 15 15 16277 1 . THR 16 16 16277 1 . ILE 17 17 16277 1 . VAL 18 18 16277 1 . THR 19 19 16277 1 . LEU 20 20 16277 1 . ASP 21 21 16277 1 . SER 22 22 16277 1 . ASP 23 23 16277 1 . ASN 24 24 16277 1 . ILE 25 25 16277 1 . LEU 26 26 16277 1 . LEU 27 27 16277 1 . SER 28 28 16277 1 . GLU 29 29 16277 1 . GLU 30 30 16277 1 . GLN 31 31 16277 1 . VAL 32 32 16277 1 . ASP 33 33 16277 1 . VAL 34 34 16277 1 . GLU 35 35 16277 1 . LEU 36 36 16277 1 . VAL 37 37 16277 1 . GLN 38 38 16277 1 . ARG 39 39 16277 1 . GLY 40 40 16277 1 . ASP 41 41 16277 1 . ILE 42 42 16277 1 . ILE 43 43 16277 1 . LYS 44 44 16277 1 . VAL 45 45 16277 1 . VAL 46 46 16277 1 . PRO 47 47 16277 1 . GLY 48 48 16277 1 . GLY 49 49 16277 1 . LYS 50 50 16277 1 . PHE 51 51 16277 1 . PRO 52 52 16277 1 . VAL 53 53 16277 1 . ASP 54 54 16277 1 . GLY 55 55 16277 1 . ARG 56 56 16277 1 . VAL 57 57 16277 1 . ILE 58 58 16277 1 . GLU 59 59 16277 1 . GLY 60 60 16277 1 . HIS 61 61 16277 1 . SER 62 62 16277 1 . MET 63 63 16277 1 . VAL 64 64 16277 1 . ASP 65 65 16277 1 . GLU 66 66 16277 1 . SER 67 67 16277 1 . LEU 68 68 16277 1 . ILE 69 69 16277 1 . THR 70 70 16277 1 . GLY 71 71 16277 1 . GLU 72 72 16277 1 . ALA 73 73 16277 1 . MET 74 74 16277 1 . PRO 75 75 16277 1 . VAL 76 76 16277 1 . ALA 77 77 16277 1 . LYS 78 78 16277 1 . LYS 79 79 16277 1 . PRO 80 80 16277 1 . GLY 81 81 16277 1 . SER 82 82 16277 1 . THR 83 83 16277 1 . VAL 84 84 16277 1 . ILE 85 85 16277 1 . ALA 86 86 16277 1 . GLY 87 87 16277 1 . SER 88 88 16277 1 . ILE 89 89 16277 1 . ASN 90 90 16277 1 . GLN 91 91 16277 1 . ASN 92 92 16277 1 . GLY 93 93 16277 1 . SER 94 94 16277 1 . LEU 95 95 16277 1 . LEU 96 96 16277 1 . ILE 97 97 16277 1 . CYS 98 98 16277 1 . ALA 99 99 16277 1 . THR 100 100 16277 1 . HIS 101 101 16277 1 . VAL 102 102 16277 1 . GLY 103 103 16277 1 . ALA 104 104 16277 1 . ASP 105 105 16277 1 . THR 106 106 16277 1 . THR 107 107 16277 1 . LEU 108 108 16277 1 . SER 109 109 16277 1 . GLN 110 110 16277 1 . ILE 111 111 16277 1 . VAL 112 112 16277 1 . LYS 113 113 16277 1 . LEU 114 114 16277 1 . VAL 115 115 16277 1 . GLU 116 116 16277 1 . GLU 117 117 16277 1 . ALA 118 118 16277 1 . GLN 119 119 16277 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 16277 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Actd . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16277 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 16277 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Actd . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21 (DE3) Gold' . . . . . . . . . . . . . . . 'pETG-20A (EMBL)' . . . . . . 16277 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16277 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'not labeled sample' _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 Actd 'natural abundance' . . 1 $Actd . . 0.2-0.3 . . mM 0.05 . . . 16277 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16277 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16277 1 4 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 16277 1 5 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 16277 1 6 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 16277 1 7 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16277 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16277 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Actd '[U-13C; U-15N]' . . 1 $Actd . . 0.2-0.3 . . mM 0.05 . . . 16277 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16277 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16277 2 4 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 16277 2 5 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 16277 2 6 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 16277 2 7 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16277 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16277 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Actd [U-15N] . . 1 $Actd . . 0.2-0.3 . . mM 0.05 . . . 16277 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16277 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16277 3 4 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 16277 3 5 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 16277 3 6 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 16277 3 7 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16277 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 16277 _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' 50 . mM 16277 1 pH 7.0 . pH 16277 1 pressure 1 . atm 16277 1 temperature 298 . K 16277 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16277 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16277 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16277 1 processing 16277 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16277 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' 'Keller, R. and W thrich, K. A New Software for the Analysis of Protein NMR Spectra. 2002' . 16277 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16277 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16277 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16277 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16277 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16277 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16277 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16277 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16277 _Software.ID 5 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16277 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16277 5 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 16277 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16277 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16277 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16277 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16277 1 2 spectrometer_2 Bruker Avance . 800 . . . 16277 1 3 spectrometer_3 Bruker Avance . 900 . . . 16277 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 16277 _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 . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16277 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 16277 _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 dioxane 'methyl carbon' . . . . ppm 69.4 external direct 1.0 . . . . . . . . . 16277 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16277 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16277 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 16277 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.04 _Assigned_chem_shift_list.Chem_shift_15N_err 0.04 _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 6 '3D HNCACB' . . . 16277 1 7 '3D CBCA(CO)NH' . . . 16277 1 8 '3D HCCH-TOCSY' . . . 16277 1 10 '3D 1H-13C NOESY' . . . 16277 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 8.193 0.020 . 1 . . . . 1 SER H . 16277 1 2 . 1 1 1 1 SER HA H 1 4.172 0.020 . 1 . . . . 1 SER HA . 16277 1 3 . 1 1 1 1 SER HB2 H 1 3.914 0.020 . 2 . . . . 1 SER HB2 . 16277 1 4 . 1 1 1 1 SER HB3 H 1 3.796 0.020 . 2 . . . . 1 SER HB3 . 16277 1 5 . 1 1 1 1 SER C C 13 174.617 0.400 . 1 . . . . 1 SER C . 16277 1 6 . 1 1 1 1 SER CA C 13 58.978 0.400 . 1 . . . . 1 SER CA . 16277 1 7 . 1 1 1 1 SER CB C 13 63.227 0.400 . 1 . . . . 1 SER CB . 16277 1 8 . 1 1 1 1 SER N N 15 117.300 0.400 . 1 . . . . 1 SER N . 16277 1 9 . 1 1 2 2 GLU C C 13 178.316 0.400 . 1 . . . . 2 GLU C . 16277 1 10 . 1 1 3 3 ALA H H 1 8.106 0.020 . 1 . . . . 3 ALA H . 16277 1 11 . 1 1 3 3 ALA HA H 1 3.929 0.020 . 1 . . . . 3 ALA HA . 16277 1 12 . 1 1 3 3 ALA HB1 H 1 1.295 0.020 . 1 . . . . 3 ALA HB . 16277 1 13 . 1 1 3 3 ALA HB2 H 1 1.295 0.020 . 1 . . . . 3 ALA HB . 16277 1 14 . 1 1 3 3 ALA HB3 H 1 1.295 0.020 . 1 . . . . 3 ALA HB . 16277 1 15 . 1 1 3 3 ALA C C 13 179.482 0.400 . 1 . . . . 3 ALA C . 16277 1 16 . 1 1 3 3 ALA CA C 13 54.265 0.400 . 1 . . . . 3 ALA CA . 16277 1 17 . 1 1 3 3 ALA CB C 13 17.999 0.400 . 1 . . . . 3 ALA CB . 16277 1 18 . 1 1 3 3 ALA N N 15 121.667 0.400 . 1 . . . . 3 ALA N . 16277 1 19 . 1 1 4 4 LEU H H 1 7.795 0.020 . 1 . . . . 4 LEU H . 16277 1 20 . 1 1 4 4 LEU HA H 1 3.933 0.020 . 1 . . . . 4 LEU HA . 16277 1 21 . 1 1 4 4 LEU HB2 H 1 1.437 0.020 . 2 . . . . 4 LEU HB2 . 16277 1 22 . 1 1 4 4 LEU HB3 H 1 1.732 0.020 . 2 . . . . 4 LEU HB3 . 16277 1 23 . 1 1 4 4 LEU HD11 H 1 0.822 0.020 . 2 . . . . 4 LEU HD1 . 16277 1 24 . 1 1 4 4 LEU HD12 H 1 0.822 0.020 . 2 . . . . 4 LEU HD1 . 16277 1 25 . 1 1 4 4 LEU HD13 H 1 0.822 0.020 . 2 . . . . 4 LEU HD1 . 16277 1 26 . 1 1 4 4 LEU HD21 H 1 0.854 0.020 . 2 . . . . 4 LEU HD2 . 16277 1 27 . 1 1 4 4 LEU HD22 H 1 0.854 0.020 . 2 . . . . 4 LEU HD2 . 16277 1 28 . 1 1 4 4 LEU HD23 H 1 0.854 0.020 . 2 . . . . 4 LEU HD2 . 16277 1 29 . 1 1 4 4 LEU HG H 1 1.551 0.020 . 1 . . . . 4 LEU HG . 16277 1 30 . 1 1 4 4 LEU C C 13 177.610 0.400 . 1 . . . . 4 LEU C . 16277 1 31 . 1 1 4 4 LEU CA C 13 57.318 0.400 . 1 . . . . 4 LEU CA . 16277 1 32 . 1 1 4 4 LEU CB C 13 41.216 0.400 . 1 . . . . 4 LEU CB . 16277 1 33 . 1 1 4 4 LEU CD1 C 13 25.036 0.400 . 1 . . . . 4 LEU CD1 . 16277 1 34 . 1 1 4 4 LEU CD2 C 13 23.879 0.400 . 1 . . . . 4 LEU CD2 . 16277 1 35 . 1 1 4 4 LEU CG C 13 26.606 0.400 . 1 . . . . 4 LEU CG . 16277 1 36 . 1 1 4 4 LEU N N 15 118.712 0.400 . 1 . . . . 4 LEU N . 16277 1 37 . 1 1 5 5 ALA H H 1 7.899 0.020 . 1 . . . . 5 ALA H . 16277 1 38 . 1 1 5 5 ALA HA H 1 3.912 0.020 . 1 . . . . 5 ALA HA . 16277 1 39 . 1 1 5 5 ALA HB1 H 1 1.321 0.020 . 1 . . . . 5 ALA HB . 16277 1 40 . 1 1 5 5 ALA HB2 H 1 1.321 0.020 . 1 . . . . 5 ALA HB . 16277 1 41 . 1 1 5 5 ALA HB3 H 1 1.321 0.020 . 1 . . . . 5 ALA HB . 16277 1 42 . 1 1 5 5 ALA C C 13 180.516 0.400 . 1 . . . . 5 ALA C . 16277 1 43 . 1 1 5 5 ALA CA C 13 54.689 0.400 . 1 . . . . 5 ALA CA . 16277 1 44 . 1 1 5 5 ALA CB C 13 17.579 0.400 . 1 . . . . 5 ALA CB . 16277 1 45 . 1 1 5 5 ALA N N 15 120.093 0.400 . 1 . . . . 5 ALA N . 16277 1 46 . 1 1 6 6 LYS H H 1 7.729 0.020 . 1 . . . . 6 LYS H . 16277 1 47 . 1 1 6 6 LYS HA H 1 3.944 0.020 . 1 . . . . 6 LYS HA . 16277 1 48 . 1 1 6 6 LYS HB2 H 1 1.740 0.020 . 2 . . . . 6 LYS HB2 . 16277 1 49 . 1 1 6 6 LYS HB3 H 1 1.740 0.020 . 2 . . . . 6 LYS HB3 . 16277 1 50 . 1 1 6 6 LYS HD2 H 1 1.500 0.020 . 2 . . . . 6 LYS HD2 . 16277 1 51 . 1 1 6 6 LYS HD3 H 1 1.500 0.020 . 2 . . . . 6 LYS HD3 . 16277 1 52 . 1 1 6 6 LYS HE2 H 1 2.773 0.020 . 2 . . . . 6 LYS HE2 . 16277 1 53 . 1 1 6 6 LYS HE3 H 1 2.773 0.020 . 2 . . . . 6 LYS HE3 . 16277 1 54 . 1 1 6 6 LYS HG2 H 1 1.384 0.020 . 2 . . . . 6 LYS HG2 . 16277 1 55 . 1 1 6 6 LYS HG3 H 1 1.316 0.020 . 2 . . . . 6 LYS HG3 . 16277 1 56 . 1 1 6 6 LYS C C 13 178.732 0.400 . 1 . . . . 6 LYS C . 16277 1 57 . 1 1 6 6 LYS CA C 13 58.268 0.400 . 1 . . . . 6 LYS CA . 16277 1 58 . 1 1 6 6 LYS CB C 13 31.645 0.400 . 1 . . . . 6 LYS CB . 16277 1 59 . 1 1 6 6 LYS CD C 13 28.595 0.400 . 1 . . . . 6 LYS CD . 16277 1 60 . 1 1 6 6 LYS CE C 13 41.716 0.400 . 1 . . . . 6 LYS CE . 16277 1 61 . 1 1 6 6 LYS CG C 13 24.502 0.400 . 1 . . . . 6 LYS CG . 16277 1 62 . 1 1 6 6 LYS N N 15 117.655 0.400 . 1 . . . . 6 LYS N . 16277 1 63 . 1 1 7 7 LEU H H 1 7.691 0.020 . 1 . . . . 7 LEU H . 16277 1 64 . 1 1 7 7 LEU HA H 1 3.891 0.020 . 1 . . . . 7 LEU HA . 16277 1 65 . 1 1 7 7 LEU HB2 H 1 1.340 0.020 . 2 . . . . 7 LEU HB2 . 16277 1 66 . 1 1 7 7 LEU HB3 H 1 1.770 0.020 . 2 . . . . 7 LEU HB3 . 16277 1 67 . 1 1 7 7 LEU HD11 H 1 0.713 0.020 . 2 . . . . 7 LEU HD1 . 16277 1 68 . 1 1 7 7 LEU HD12 H 1 0.713 0.020 . 2 . . . . 7 LEU HD1 . 16277 1 69 . 1 1 7 7 LEU HD13 H 1 0.713 0.020 . 2 . . . . 7 LEU HD1 . 16277 1 70 . 1 1 7 7 LEU HD21 H 1 0.674 0.020 . 2 . . . . 7 LEU HD2 . 16277 1 71 . 1 1 7 7 LEU HD22 H 1 0.674 0.020 . 2 . . . . 7 LEU HD2 . 16277 1 72 . 1 1 7 7 LEU HD23 H 1 0.674 0.020 . 2 . . . . 7 LEU HD2 . 16277 1 73 . 1 1 7 7 LEU HG H 1 1.629 0.020 . 1 . . . . 7 LEU HG . 16277 1 74 . 1 1 7 7 LEU C C 13 178.732 0.400 . 1 . . . . 7 LEU C . 16277 1 75 . 1 1 7 7 LEU CA C 13 57.663 0.400 . 1 . . . . 7 LEU CA . 16277 1 76 . 1 1 7 7 LEU CB C 13 41.903 0.400 . 1 . . . . 7 LEU CB . 16277 1 77 . 1 1 7 7 LEU CD1 C 13 25.172 0.400 . 1 . . . . 7 LEU CD1 . 16277 1 78 . 1 1 7 7 LEU CD2 C 13 22.976 0.400 . 1 . . . . 7 LEU CD2 . 16277 1 79 . 1 1 7 7 LEU CG C 13 26.352 0.400 . 1 . . . . 7 LEU CG . 16277 1 80 . 1 1 7 7 LEU N N 15 120.319 0.400 . 1 . . . . 7 LEU N . 16277 1 81 . 1 1 8 8 ILE H H 1 8.202 0.020 . 1 . . . . 8 ILE H . 16277 1 82 . 1 1 8 8 ILE HA H 1 3.601 0.020 . 1 . . . . 8 ILE HA . 16277 1 83 . 1 1 8 8 ILE HB H 1 1.749 0.020 . 1 . . . . 8 ILE HB . 16277 1 84 . 1 1 8 8 ILE HD11 H 1 0.682 0.020 . 1 . . . . 8 ILE HD1 . 16277 1 85 . 1 1 8 8 ILE HD12 H 1 0.682 0.020 . 1 . . . . 8 ILE HD1 . 16277 1 86 . 1 1 8 8 ILE HD13 H 1 0.682 0.020 . 1 . . . . 8 ILE HD1 . 16277 1 87 . 1 1 8 8 ILE HG12 H 1 1.481 0.020 . 2 . . . . 8 ILE HG12 . 16277 1 88 . 1 1 8 8 ILE HG13 H 1 1.089 0.020 . 2 . . . . 8 ILE HG13 . 16277 1 89 . 1 1 8 8 ILE HG21 H 1 0.767 0.020 . 1 . . . . 8 ILE HG2 . 16277 1 90 . 1 1 8 8 ILE HG22 H 1 0.767 0.020 . 1 . . . . 8 ILE HG2 . 16277 1 91 . 1 1 8 8 ILE HG23 H 1 0.767 0.020 . 1 . . . . 8 ILE HG2 . 16277 1 92 . 1 1 8 8 ILE C C 13 178.867 0.400 . 1 . . . . 8 ILE C . 16277 1 93 . 1 1 8 8 ILE CA C 13 64.110 0.400 . 1 . . . . 8 ILE CA . 16277 1 94 . 1 1 8 8 ILE CB C 13 37.664 0.400 . 1 . . . . 8 ILE CB . 16277 1 95 . 1 1 8 8 ILE CD1 C 13 12.808 0.400 . 1 . . . . 8 ILE CD1 . 16277 1 96 . 1 1 8 8 ILE CG1 C 13 28.823 0.400 . 1 . . . . 8 ILE CG1 . 16277 1 97 . 1 1 8 8 ILE CG2 C 13 16.977 0.400 . 1 . . . . 8 ILE CG2 . 16277 1 98 . 1 1 8 8 ILE N N 15 117.477 0.400 . 1 . . . . 8 ILE N . 16277 1 99 . 1 1 9 9 SER H H 1 7.619 0.020 . 1 . . . . 9 SER H . 16277 1 100 . 1 1 9 9 SER HA H 1 4.247 0.020 . 1 . . . . 9 SER HA . 16277 1 101 . 1 1 9 9 SER HB2 H 1 3.916 0.020 . 2 . . . . 9 SER HB2 . 16277 1 102 . 1 1 9 9 SER HB3 H 1 3.860 0.020 . 2 . . . . 9 SER HB3 . 16277 1 103 . 1 1 9 9 SER C C 13 174.401 0.400 . 1 . . . . 9 SER C . 16277 1 104 . 1 1 9 9 SER CA C 13 60.172 0.400 . 1 . . . . 9 SER CA . 16277 1 105 . 1 1 9 9 SER CB C 13 62.994 0.400 . 1 . . . . 9 SER CB . 16277 1 106 . 1 1 9 9 SER N N 15 115.519 0.400 . 1 . . . . 9 SER N . 16277 1 107 . 1 1 10 10 LEU H H 1 7.503 0.020 . 1 . . . . 10 LEU H . 16277 1 108 . 1 1 10 10 LEU HA H 1 4.082 0.020 . 1 . . . . 10 LEU HA . 16277 1 109 . 1 1 10 10 LEU HB2 H 1 1.864 0.020 . 2 . . . . 10 LEU HB2 . 16277 1 110 . 1 1 10 10 LEU HB3 H 1 1.527 0.020 . 2 . . . . 10 LEU HB3 . 16277 1 111 . 1 1 10 10 LEU HD11 H 1 0.783 0.020 . 2 . . . . 10 LEU HD1 . 16277 1 112 . 1 1 10 10 LEU HD12 H 1 0.783 0.020 . 2 . . . . 10 LEU HD1 . 16277 1 113 . 1 1 10 10 LEU HD13 H 1 0.783 0.020 . 2 . . . . 10 LEU HD1 . 16277 1 114 . 1 1 10 10 LEU HD21 H 1 0.737 0.020 . 2 . . . . 10 LEU HD2 . 16277 1 115 . 1 1 10 10 LEU HD22 H 1 0.737 0.020 . 2 . . . . 10 LEU HD2 . 16277 1 116 . 1 1 10 10 LEU HD23 H 1 0.737 0.020 . 2 . . . . 10 LEU HD2 . 16277 1 117 . 1 1 10 10 LEU HG H 1 1.851 0.020 . 1 . . . . 10 LEU HG . 16277 1 118 . 1 1 10 10 LEU C C 13 177.150 0.400 . 1 . . . . 10 LEU C . 16277 1 119 . 1 1 10 10 LEU CA C 13 54.993 0.400 . 1 . . . . 10 LEU CA . 16277 1 120 . 1 1 10 10 LEU CB C 13 41.414 0.400 . 1 . . . . 10 LEU CB . 16277 1 121 . 1 1 10 10 LEU CD1 C 13 23.282 0.400 . 1 . . . . 10 LEU CD1 . 16277 1 122 . 1 1 10 10 LEU CD2 C 13 21.873 0.400 . 1 . . . . 10 LEU CD2 . 16277 1 123 . 1 1 10 10 LEU CG C 13 25.311 0.400 . 1 . . . . 10 LEU CG . 16277 1 124 . 1 1 10 10 LEU N N 15 120.898 0.400 . 1 . . . . 10 LEU N . 16277 1 125 . 1 1 11 11 GLN H H 1 7.292 0.020 . 1 . . . . 11 GLN H . 16277 1 126 . 1 1 11 11 GLN HA H 1 4.033 0.020 . 1 . . . . 11 GLN HA . 16277 1 127 . 1 1 11 11 GLN HB2 H 1 1.990 0.020 . 2 . . . . 11 GLN HB2 . 16277 1 128 . 1 1 11 11 GLN HB3 H 1 1.947 0.020 . 2 . . . . 11 GLN HB3 . 16277 1 129 . 1 1 11 11 GLN HE21 H 1 7.284 0.020 . 2 . . . . 11 GLN HE21 . 16277 1 130 . 1 1 11 11 GLN HE22 H 1 6.692 0.020 . 2 . . . . 11 GLN HE22 . 16277 1 131 . 1 1 11 11 GLN HG2 H 1 2.325 0.020 . 2 . . . . 11 GLN HG2 . 16277 1 132 . 1 1 11 11 GLN HG3 H 1 2.209 0.020 . 2 . . . . 11 GLN HG3 . 16277 1 133 . 1 1 11 11 GLN C C 13 175.784 0.400 . 1 . . . . 11 GLN C . 16277 1 134 . 1 1 11 11 GLN CA C 13 55.923 0.400 . 1 . . . . 11 GLN CA . 16277 1 135 . 1 1 11 11 GLN CB C 13 28.584 0.400 . 1 . . . . 11 GLN CB . 16277 1 136 . 1 1 11 11 GLN CG C 13 33.590 0.400 . 1 . . . . 11 GLN CG . 16277 1 137 . 1 1 11 11 GLN N N 15 117.254 0.400 . 1 . . . . 11 GLN N . 16277 1 138 . 1 1 11 11 GLN NE2 N 15 110.691 0.400 . 1 . . . . 11 GLN NE2 . 16277 1 139 . 1 1 12 12 ALA H H 1 8.578 0.020 . 1 . . . . 12 ALA H . 16277 1 140 . 1 1 12 12 ALA HA H 1 4.430 0.020 . 1 . . . . 12 ALA HA . 16277 1 141 . 1 1 12 12 ALA HB1 H 1 1.416 0.020 . 1 . . . . 12 ALA HB . 16277 1 142 . 1 1 12 12 ALA HB2 H 1 1.416 0.020 . 1 . . . . 12 ALA HB . 16277 1 143 . 1 1 12 12 ALA HB3 H 1 1.416 0.020 . 1 . . . . 12 ALA HB . 16277 1 144 . 1 1 12 12 ALA C C 13 176.327 0.400 . 1 . . . . 12 ALA C . 16277 1 145 . 1 1 12 12 ALA CA C 13 51.651 0.400 . 1 . . . . 12 ALA CA . 16277 1 146 . 1 1 12 12 ALA CB C 13 19.610 0.400 . 1 . . . . 12 ALA CB . 16277 1 147 . 1 1 12 12 ALA N N 15 126.746 0.400 . 1 . . . . 12 ALA N . 16277 1 148 . 1 1 13 13 THR H H 1 8.553 0.020 . 1 . . . . 13 THR H . 16277 1 149 . 1 1 13 13 THR HA H 1 4.344 0.020 . 1 . . . . 13 THR HA . 16277 1 150 . 1 1 13 13 THR HB H 1 4.301 0.020 . 1 . . . . 13 THR HB . 16277 1 151 . 1 1 13 13 THR HG21 H 1 1.094 0.020 . 1 . . . . 13 THR HG2 . 16277 1 152 . 1 1 13 13 THR HG22 H 1 1.094 0.020 . 1 . . . . 13 THR HG2 . 16277 1 153 . 1 1 13 13 THR HG23 H 1 1.094 0.020 . 1 . . . . 13 THR HG2 . 16277 1 154 . 1 1 13 13 THR C C 13 174.805 0.400 . 1 . . . . 13 THR C . 16277 1 155 . 1 1 13 13 THR CA C 13 61.751 0.400 . 1 . . . . 13 THR CA . 16277 1 156 . 1 1 13 13 THR CB C 13 69.120 0.400 . 1 . . . . 13 THR CB . 16277 1 157 . 1 1 13 13 THR CG2 C 13 21.580 0.400 . 1 . . . . 13 THR CG2 . 16277 1 158 . 1 1 13 13 THR N N 15 109.604 0.400 . 1 . . . . 13 THR N . 16277 1 159 . 1 1 14 14 GLU H H 1 7.746 0.020 . 1 . . . . 14 GLU H . 16277 1 160 . 1 1 14 14 GLU HA H 1 5.076 0.020 . 1 . . . . 14 GLU HA . 16277 1 161 . 1 1 14 14 GLU HB2 H 1 1.741 0.020 . 2 . . . . 14 GLU HB2 . 16277 1 162 . 1 1 14 14 GLU HB3 H 1 1.875 0.020 . 2 . . . . 14 GLU HB3 . 16277 1 163 . 1 1 14 14 GLU HG2 H 1 1.979 0.020 . 2 . . . . 14 GLU HG2 . 16277 1 164 . 1 1 14 14 GLU HG3 H 1 1.979 0.020 . 2 . . . . 14 GLU HG3 . 16277 1 165 . 1 1 14 14 GLU C C 13 173.722 0.400 . 1 . . . . 14 GLU C . 16277 1 166 . 1 1 14 14 GLU CA C 13 54.249 0.400 . 1 . . . . 14 GLU CA . 16277 1 167 . 1 1 14 14 GLU CB C 13 33.301 0.400 . 1 . . . . 14 GLU CB . 16277 1 168 . 1 1 14 14 GLU CG C 13 35.492 0.400 . 1 . . . . 14 GLU CG . 16277 1 169 . 1 1 14 14 GLU N N 15 121.194 0.400 . 1 . . . . 14 GLU N . 16277 1 170 . 1 1 15 15 ALA H H 1 9.090 0.020 . 1 . . . . 15 ALA H . 16277 1 171 . 1 1 15 15 ALA HA H 1 4.601 0.020 . 1 . . . . 15 ALA HA . 16277 1 172 . 1 1 15 15 ALA HB1 H 1 1.090 0.020 . 1 . . . . 15 ALA HB . 16277 1 173 . 1 1 15 15 ALA HB2 H 1 1.090 0.020 . 1 . . . . 15 ALA HB . 16277 1 174 . 1 1 15 15 ALA HB3 H 1 1.090 0.020 . 1 . . . . 15 ALA HB . 16277 1 175 . 1 1 15 15 ALA C C 13 174.561 0.400 . 1 . . . . 15 ALA C . 16277 1 176 . 1 1 15 15 ALA CA C 13 49.820 0.400 . 1 . . . . 15 ALA CA . 16277 1 177 . 1 1 15 15 ALA CB C 13 23.263 0.400 . 1 . . . . 15 ALA CB . 16277 1 178 . 1 1 15 15 ALA N N 15 121.910 0.400 . 1 . . . . 15 ALA N . 16277 1 179 . 1 1 16 16 THR H H 1 9.011 0.020 . 1 . . . . 16 THR H . 16277 1 180 . 1 1 16 16 THR HA H 1 4.746 0.020 . 1 . . . . 16 THR HA . 16277 1 181 . 1 1 16 16 THR HB H 1 4.257 0.020 . 1 . . . . 16 THR HB . 16277 1 182 . 1 1 16 16 THR HG21 H 1 0.971 0.020 . 1 . . . . 16 THR HG2 . 16277 1 183 . 1 1 16 16 THR HG22 H 1 0.971 0.020 . 1 . . . . 16 THR HG2 . 16277 1 184 . 1 1 16 16 THR HG23 H 1 0.971 0.020 . 1 . . . . 16 THR HG2 . 16277 1 185 . 1 1 16 16 THR C C 13 173.530 0.400 . 1 . . . . 16 THR C . 16277 1 186 . 1 1 16 16 THR CA C 13 61.463 0.400 . 1 . . . . 16 THR CA . 16277 1 187 . 1 1 16 16 THR CB C 13 68.513 0.400 . 1 . . . . 16 THR CB . 16277 1 188 . 1 1 16 16 THR CG2 C 13 20.703 0.400 . 1 . . . . 16 THR CG2 . 16277 1 189 . 1 1 16 16 THR N N 15 118.977 0.400 . 1 . . . . 16 THR N . 16277 1 190 . 1 1 17 17 ILE H H 1 8.913 0.020 . 1 . . . . 17 ILE H . 16277 1 191 . 1 1 17 17 ILE HA H 1 4.763 0.020 . 1 . . . . 17 ILE HA . 16277 1 192 . 1 1 17 17 ILE HB H 1 1.609 0.020 . 1 . . . . 17 ILE HB . 16277 1 193 . 1 1 17 17 ILE HD11 H 1 0.670 0.020 . 1 . . . . 17 ILE HD1 . 16277 1 194 . 1 1 17 17 ILE HD12 H 1 0.670 0.020 . 1 . . . . 17 ILE HD1 . 16277 1 195 . 1 1 17 17 ILE HD13 H 1 0.670 0.020 . 1 . . . . 17 ILE HD1 . 16277 1 196 . 1 1 17 17 ILE HG12 H 1 1.450 0.020 . 2 . . . . 17 ILE HG12 . 16277 1 197 . 1 1 17 17 ILE HG13 H 1 0.957 0.020 . 2 . . . . 17 ILE HG13 . 16277 1 198 . 1 1 17 17 ILE HG21 H 1 0.788 0.020 . 1 . . . . 17 ILE HG2 . 16277 1 199 . 1 1 17 17 ILE HG22 H 1 0.788 0.020 . 1 . . . . 17 ILE HG2 . 16277 1 200 . 1 1 17 17 ILE HG23 H 1 0.788 0.020 . 1 . . . . 17 ILE HG2 . 16277 1 201 . 1 1 17 17 ILE C C 13 176.441 0.400 . 1 . . . . 17 ILE C . 16277 1 202 . 1 1 17 17 ILE CA C 13 59.488 0.400 . 1 . . . . 17 ILE CA . 16277 1 203 . 1 1 17 17 ILE CB C 13 39.009 0.400 . 1 . . . . 17 ILE CB . 16277 1 204 . 1 1 17 17 ILE CD1 C 13 13.421 0.400 . 1 . . . . 17 ILE CD1 . 16277 1 205 . 1 1 17 17 ILE CG1 C 13 27.540 0.400 . 1 . . . . 17 ILE CG1 . 16277 1 206 . 1 1 17 17 ILE CG2 C 13 16.886 0.400 . 1 . . . . 17 ILE CG2 . 16277 1 207 . 1 1 17 17 ILE N N 15 127.267 0.400 . 1 . . . . 17 ILE N . 16277 1 208 . 1 1 18 18 VAL H H 1 8.743 0.020 . 1 . . . . 18 VAL H . 16277 1 209 . 1 1 18 18 VAL HA H 1 5.016 0.020 . 1 . . . . 18 VAL HA . 16277 1 210 . 1 1 18 18 VAL HB H 1 1.969 0.020 . 1 . . . . 18 VAL HB . 16277 1 211 . 1 1 18 18 VAL HG11 H 1 0.769 0.020 . 2 . . . . 18 VAL HG1 . 16277 1 212 . 1 1 18 18 VAL HG12 H 1 0.769 0.020 . 2 . . . . 18 VAL HG1 . 16277 1 213 . 1 1 18 18 VAL HG13 H 1 0.769 0.020 . 2 . . . . 18 VAL HG1 . 16277 1 214 . 1 1 18 18 VAL HG21 H 1 0.601 0.020 . 2 . . . . 18 VAL HG2 . 16277 1 215 . 1 1 18 18 VAL HG22 H 1 0.601 0.020 . 2 . . . . 18 VAL HG2 . 16277 1 216 . 1 1 18 18 VAL HG23 H 1 0.601 0.020 . 2 . . . . 18 VAL HG2 . 16277 1 217 . 1 1 18 18 VAL C C 13 174.367 0.400 . 1 . . . . 18 VAL C . 16277 1 218 . 1 1 18 18 VAL CA C 13 58.900 0.400 . 1 . . . . 18 VAL CA . 16277 1 219 . 1 1 18 18 VAL CB C 13 34.019 0.400 . 1 . . . . 18 VAL CB . 16277 1 220 . 1 1 18 18 VAL CG1 C 13 22.384 0.400 . 1 . . . . 18 VAL CG1 . 16277 1 221 . 1 1 18 18 VAL CG2 C 13 20.610 0.400 . 1 . . . . 18 VAL CG2 . 16277 1 222 . 1 1 18 18 VAL N N 15 123.365 0.400 . 1 . . . . 18 VAL N . 16277 1 223 . 1 1 19 19 THR H H 1 7.922 0.020 . 1 . . . . 19 THR H . 16277 1 224 . 1 1 19 19 THR HA H 1 4.496 0.020 . 1 . . . . 19 THR HA . 16277 1 225 . 1 1 19 19 THR HB H 1 3.973 0.020 . 1 . . . . 19 THR HB . 16277 1 226 . 1 1 19 19 THR HG21 H 1 1.013 0.020 . 1 . . . . 19 THR HG2 . 16277 1 227 . 1 1 19 19 THR HG22 H 1 1.013 0.020 . 1 . . . . 19 THR HG2 . 16277 1 228 . 1 1 19 19 THR HG23 H 1 1.013 0.020 . 1 . . . . 19 THR HG2 . 16277 1 229 . 1 1 19 19 THR C C 13 173.099 0.400 . 1 . . . . 19 THR C . 16277 1 230 . 1 1 19 19 THR CA C 13 60.649 0.400 . 1 . . . . 19 THR CA . 16277 1 231 . 1 1 19 19 THR CB C 13 70.692 0.400 . 1 . . . . 19 THR CB . 16277 1 232 . 1 1 19 19 THR CG2 C 13 20.858 0.400 . 1 . . . . 19 THR CG2 . 16277 1 233 . 1 1 19 19 THR N N 15 114.064 0.400 . 1 . . . . 19 THR N . 16277 1 234 . 1 1 20 20 LEU H H 1 8.636 0.020 . 1 . . . . 20 LEU H . 16277 1 235 . 1 1 20 20 LEU HA H 1 5.088 0.020 . 1 . . . . 20 LEU HA . 16277 1 236 . 1 1 20 20 LEU HB2 H 1 1.563 0.020 . 2 . . . . 20 LEU HB2 . 16277 1 237 . 1 1 20 20 LEU HB3 H 1 1.339 0.020 . 2 . . . . 20 LEU HB3 . 16277 1 238 . 1 1 20 20 LEU HD11 H 1 0.667 0.020 . 2 . . . . 20 LEU HD1 . 16277 1 239 . 1 1 20 20 LEU HD12 H 1 0.667 0.020 . 2 . . . . 20 LEU HD1 . 16277 1 240 . 1 1 20 20 LEU HD13 H 1 0.667 0.020 . 2 . . . . 20 LEU HD1 . 16277 1 241 . 1 1 20 20 LEU HD21 H 1 0.510 0.020 . 2 . . . . 20 LEU HD2 . 16277 1 242 . 1 1 20 20 LEU HD22 H 1 0.510 0.020 . 2 . . . . 20 LEU HD2 . 16277 1 243 . 1 1 20 20 LEU HD23 H 1 0.510 0.020 . 2 . . . . 20 LEU HD2 . 16277 1 244 . 1 1 20 20 LEU HG H 1 1.343 0.020 . 1 . . . . 20 LEU HG . 16277 1 245 . 1 1 20 20 LEU C C 13 176.983 0.400 . 1 . . . . 20 LEU C . 16277 1 246 . 1 1 20 20 LEU CA C 13 53.076 0.400 . 1 . . . . 20 LEU CA . 16277 1 247 . 1 1 20 20 LEU CB C 13 45.484 0.400 . 1 . . . . 20 LEU CB . 16277 1 248 . 1 1 20 20 LEU CD1 C 13 25.235 0.400 . 1 . . . . 20 LEU CD1 . 16277 1 249 . 1 1 20 20 LEU CD2 C 13 23.387 0.400 . 1 . . . . 20 LEU CD2 . 16277 1 250 . 1 1 20 20 LEU CG C 13 26.660 0.400 . 1 . . . . 20 LEU CG . 16277 1 251 . 1 1 20 20 LEU N N 15 124.451 0.400 . 1 . . . . 20 LEU N . 16277 1 252 . 1 1 21 21 ASP H H 1 8.562 0.020 . 1 . . . . 21 ASP H . 16277 1 253 . 1 1 21 21 ASP HA H 1 4.639 0.020 . 1 . . . . 21 ASP HA . 16277 1 254 . 1 1 21 21 ASP HB2 H 1 2.562 0.020 . 2 . . . . 21 ASP HB2 . 16277 1 255 . 1 1 21 21 ASP HB3 H 1 3.195 0.020 . 2 . . . . 21 ASP HB3 . 16277 1 256 . 1 1 21 21 ASP C C 13 178.315 0.400 . 1 . . . . 21 ASP C . 16277 1 257 . 1 1 21 21 ASP CA C 13 51.794 0.400 . 1 . . . . 21 ASP CA . 16277 1 258 . 1 1 21 21 ASP CB C 13 41.179 0.400 . 1 . . . . 21 ASP CB . 16277 1 259 . 1 1 21 21 ASP N N 15 121.488 0.400 . 1 . . . . 21 ASP N . 16277 1 260 . 1 1 22 22 SER H H 1 8.228 0.020 . 1 . . . . 22 SER H . 16277 1 261 . 1 1 22 22 SER HA H 1 4.055 0.020 . 1 . . . . 22 SER HA . 16277 1 262 . 1 1 22 22 SER HB2 H 1 3.776 0.020 . 2 . . . . 22 SER HB2 . 16277 1 263 . 1 1 22 22 SER HB3 H 1 3.832 0.020 . 2 . . . . 22 SER HB3 . 16277 1 264 . 1 1 22 22 SER C C 13 174.432 0.400 . 1 . . . . 22 SER C . 16277 1 265 . 1 1 22 22 SER CA C 13 60.729 0.400 . 1 . . . . 22 SER CA . 16277 1 266 . 1 1 22 22 SER CB C 13 62.495 0.400 . 1 . . . . 22 SER CB . 16277 1 267 . 1 1 22 22 SER N N 15 113.018 0.400 . 1 . . . . 22 SER N . 16277 1 268 . 1 1 23 23 ASP H H 1 8.276 0.020 . 1 . . . . 23 ASP H . 16277 1 269 . 1 1 23 23 ASP HA H 1 4.700 0.020 . 1 . . . . 23 ASP HA . 16277 1 270 . 1 1 23 23 ASP HB2 H 1 2.481 0.020 . 2 . . . . 23 ASP HB2 . 16277 1 271 . 1 1 23 23 ASP HB3 H 1 2.757 0.020 . 2 . . . . 23 ASP HB3 . 16277 1 272 . 1 1 23 23 ASP C C 13 174.563 0.400 . 1 . . . . 23 ASP C . 16277 1 273 . 1 1 23 23 ASP CA C 13 54.062 0.400 . 1 . . . . 23 ASP CA . 16277 1 274 . 1 1 23 23 ASP CB C 13 41.230 0.400 . 1 . . . . 23 ASP CB . 16277 1 275 . 1 1 23 23 ASP N N 15 121.848 0.400 . 1 . . . . 23 ASP N . 16277 1 276 . 1 1 24 24 ASN H H 1 8.119 0.020 . 1 . . . . 24 ASN H . 16277 1 277 . 1 1 24 24 ASN HA H 1 4.047 0.020 . 1 . . . . 24 ASN HA . 16277 1 278 . 1 1 24 24 ASN HB2 H 1 2.940 0.020 . 2 . . . . 24 ASN HB2 . 16277 1 279 . 1 1 24 24 ASN HB3 H 1 2.880 0.020 . 2 . . . . 24 ASN HB3 . 16277 1 280 . 1 1 24 24 ASN HD21 H 1 6.547 0.020 . 2 . . . . 24 ASN HD21 . 16277 1 281 . 1 1 24 24 ASN HD22 H 1 7.509 0.020 . 2 . . . . 24 ASN HD22 . 16277 1 282 . 1 1 24 24 ASN C C 13 172.970 0.400 . 1 . . . . 24 ASN C . 16277 1 283 . 1 1 24 24 ASN CA C 13 54.566 0.400 . 1 . . . . 24 ASN CA . 16277 1 284 . 1 1 24 24 ASN CB C 13 35.739 0.400 . 1 . . . . 24 ASN CB . 16277 1 285 . 1 1 24 24 ASN N N 15 113.177 0.400 . 1 . . . . 24 ASN N . 16277 1 286 . 1 1 24 24 ASN ND2 N 15 112.004 0.400 . 1 . . . . 24 ASN ND2 . 16277 1 287 . 1 1 25 25 ILE H H 1 8.113 0.020 . 1 . . . . 25 ILE H . 16277 1 288 . 1 1 25 25 ILE HA H 1 3.873 0.020 . 1 . . . . 25 ILE HA . 16277 1 289 . 1 1 25 25 ILE HB H 1 1.937 0.020 . 1 . . . . 25 ILE HB . 16277 1 290 . 1 1 25 25 ILE HD11 H 1 0.670 0.020 . 1 . . . . 25 ILE HD1 . 16277 1 291 . 1 1 25 25 ILE HD12 H 1 0.670 0.020 . 1 . . . . 25 ILE HD1 . 16277 1 292 . 1 1 25 25 ILE HD13 H 1 0.670 0.020 . 1 . . . . 25 ILE HD1 . 16277 1 293 . 1 1 25 25 ILE HG12 H 1 1.285 0.020 . 2 . . . . 25 ILE HG12 . 16277 1 294 . 1 1 25 25 ILE HG13 H 1 1.085 0.020 . 2 . . . . 25 ILE HG13 . 16277 1 295 . 1 1 25 25 ILE HG21 H 1 0.716 0.020 . 1 . . . . 25 ILE HG2 . 16277 1 296 . 1 1 25 25 ILE HG22 H 1 0.716 0.020 . 1 . . . . 25 ILE HG2 . 16277 1 297 . 1 1 25 25 ILE HG23 H 1 0.716 0.020 . 1 . . . . 25 ILE HG2 . 16277 1 298 . 1 1 25 25 ILE C C 13 175.983 0.400 . 1 . . . . 25 ILE C . 16277 1 299 . 1 1 25 25 ILE CA C 13 59.831 0.400 . 1 . . . . 25 ILE CA . 16277 1 300 . 1 1 25 25 ILE CB C 13 36.029 0.400 . 1 . . . . 25 ILE CB . 16277 1 301 . 1 1 25 25 ILE CD1 C 13 10.890 0.400 . 1 . . . . 25 ILE CD1 . 16277 1 302 . 1 1 25 25 ILE CG1 C 13 27.374 0.400 . 1 . . . . 25 ILE CG1 . 16277 1 303 . 1 1 25 25 ILE CG2 C 13 16.934 0.400 . 1 . . . . 25 ILE CG2 . 16277 1 304 . 1 1 25 25 ILE N N 15 120.772 0.400 . 1 . . . . 25 ILE N . 16277 1 305 . 1 1 26 26 LEU H H 1 8.075 0.020 . 1 . . . . 26 LEU H . 16277 1 306 . 1 1 26 26 LEU HA H 1 4.103 0.020 . 1 . . . . 26 LEU HA . 16277 1 307 . 1 1 26 26 LEU HB2 H 1 1.441 0.020 . 2 . . . . 26 LEU HB2 . 16277 1 308 . 1 1 26 26 LEU HB3 H 1 1.441 0.020 . 2 . . . . 26 LEU HB3 . 16277 1 309 . 1 1 26 26 LEU HD11 H 1 0.775 0.020 . 2 . . . . 26 LEU HD1 . 16277 1 310 . 1 1 26 26 LEU HD12 H 1 0.775 0.020 . 2 . . . . 26 LEU HD1 . 16277 1 311 . 1 1 26 26 LEU HD13 H 1 0.775 0.020 . 2 . . . . 26 LEU HD1 . 16277 1 312 . 1 1 26 26 LEU HD21 H 1 0.639 0.020 . 2 . . . . 26 LEU HD2 . 16277 1 313 . 1 1 26 26 LEU HD22 H 1 0.639 0.020 . 2 . . . . 26 LEU HD2 . 16277 1 314 . 1 1 26 26 LEU HD23 H 1 0.639 0.020 . 2 . . . . 26 LEU HD2 . 16277 1 315 . 1 1 26 26 LEU HG H 1 1.433 0.020 . 1 . . . . 26 LEU HG . 16277 1 316 . 1 1 26 26 LEU C C 13 176.561 0.400 . 1 . . . . 26 LEU C . 16277 1 317 . 1 1 26 26 LEU CA C 13 56.837 0.400 . 1 . . . . 26 LEU CA . 16277 1 318 . 1 1 26 26 LEU CB C 13 41.673 0.400 . 1 . . . . 26 LEU CB . 16277 1 319 . 1 1 26 26 LEU CD1 C 13 25.609 0.400 . 1 . . . . 26 LEU CD1 . 16277 1 320 . 1 1 26 26 LEU CD2 C 13 24.870 0.400 . 1 . . . . 26 LEU CD2 . 16277 1 321 . 1 1 26 26 LEU CG C 13 27.504 0.400 . 1 . . . . 26 LEU CG . 16277 1 322 . 1 1 26 26 LEU N N 15 126.920 0.400 . 1 . . . . 26 LEU N . 16277 1 323 . 1 1 27 27 LEU H H 1 9.056 0.020 . 1 . . . . 27 LEU H . 16277 1 324 . 1 1 27 27 LEU HA H 1 4.312 0.020 . 1 . . . . 27 LEU HA . 16277 1 325 . 1 1 27 27 LEU HB2 H 1 1.558 0.020 . 2 . . . . 27 LEU HB2 . 16277 1 326 . 1 1 27 27 LEU HB3 H 1 1.288 0.020 . 2 . . . . 27 LEU HB3 . 16277 1 327 . 1 1 27 27 LEU HD11 H 1 0.679 0.020 . 2 . . . . 27 LEU HD1 . 16277 1 328 . 1 1 27 27 LEU HD12 H 1 0.679 0.020 . 2 . . . . 27 LEU HD1 . 16277 1 329 . 1 1 27 27 LEU HD13 H 1 0.679 0.020 . 2 . . . . 27 LEU HD1 . 16277 1 330 . 1 1 27 27 LEU HD21 H 1 0.692 0.020 . 2 . . . . 27 LEU HD2 . 16277 1 331 . 1 1 27 27 LEU HD22 H 1 0.692 0.020 . 2 . . . . 27 LEU HD2 . 16277 1 332 . 1 1 27 27 LEU HD23 H 1 0.692 0.020 . 2 . . . . 27 LEU HD2 . 16277 1 333 . 1 1 27 27 LEU HG H 1 1.504 0.020 . 1 . . . . 27 LEU HG . 16277 1 334 . 1 1 27 27 LEU C C 13 176.983 0.400 . 1 . . . . 27 LEU C . 16277 1 335 . 1 1 27 27 LEU CA C 13 55.173 0.400 . 1 . . . . 27 LEU CA . 16277 1 336 . 1 1 27 27 LEU CB C 13 43.238 0.400 . 1 . . . . 27 LEU CB . 16277 1 337 . 1 1 27 27 LEU CD1 C 13 24.792 0.400 . 1 . . . . 27 LEU CD1 . 16277 1 338 . 1 1 27 27 LEU CD2 C 13 22.546 0.400 . 1 . . . . 27 LEU CD2 . 16277 1 339 . 1 1 27 27 LEU CG C 13 26.092 0.400 . 1 . . . . 27 LEU CG . 16277 1 340 . 1 1 27 27 LEU N N 15 126.858 0.400 . 1 . . . . 27 LEU N . 16277 1 341 . 1 1 28 28 SER H H 1 7.511 0.020 . 1 . . . . 28 SER H . 16277 1 342 . 1 1 28 28 SER HA H 1 4.475 0.020 . 1 . . . . 28 SER HA . 16277 1 343 . 1 1 28 28 SER HB2 H 1 3.746 0.020 . 2 . . . . 28 SER HB2 . 16277 1 344 . 1 1 28 28 SER HB3 H 1 3.639 0.020 . 2 . . . . 28 SER HB3 . 16277 1 345 . 1 1 28 28 SER C C 13 171.326 0.400 . 1 . . . . 28 SER C . 16277 1 346 . 1 1 28 28 SER CA C 13 57.377 0.400 . 1 . . . . 28 SER CA . 16277 1 347 . 1 1 28 28 SER CB C 13 65.081 0.400 . 1 . . . . 28 SER CB . 16277 1 348 . 1 1 28 28 SER N N 15 111.266 0.400 . 1 . . . . 28 SER N . 16277 1 349 . 1 1 29 29 GLU H H 1 8.152 0.020 . 1 . . . . 29 GLU H . 16277 1 350 . 1 1 29 29 GLU HA H 1 4.989 0.020 . 1 . . . . 29 GLU HA . 16277 1 351 . 1 1 29 29 GLU HB2 H 1 1.743 0.020 . 2 . . . . 29 GLU HB2 . 16277 1 352 . 1 1 29 29 GLU HB3 H 1 1.743 0.020 . 2 . . . . 29 GLU HB3 . 16277 1 353 . 1 1 29 29 GLU HG2 H 1 1.886 0.020 . 2 . . . . 29 GLU HG2 . 16277 1 354 . 1 1 29 29 GLU HG3 H 1 1.886 0.020 . 2 . . . . 29 GLU HG3 . 16277 1 355 . 1 1 29 29 GLU C C 13 174.337 0.400 . 1 . . . . 29 GLU C . 16277 1 356 . 1 1 29 29 GLU CA C 13 54.956 0.400 . 1 . . . . 29 GLU CA . 16277 1 357 . 1 1 29 29 GLU CB C 13 32.691 0.400 . 1 . . . . 29 GLU CB . 16277 1 358 . 1 1 29 29 GLU CG C 13 35.523 0.400 . 1 . . . . 29 GLU CG . 16277 1 359 . 1 1 29 29 GLU N N 15 118.697 0.400 . 1 . . . . 29 GLU N . 16277 1 360 . 1 1 30 30 GLU H H 1 8.715 0.020 . 1 . . . . 30 GLU H . 16277 1 361 . 1 1 30 30 GLU HA H 1 4.565 0.020 . 1 . . . . 30 GLU HA . 16277 1 362 . 1 1 30 30 GLU HB2 H 1 1.834 0.020 . 2 . . . . 30 GLU HB2 . 16277 1 363 . 1 1 30 30 GLU HB3 H 1 1.732 0.020 . 2 . . . . 30 GLU HB3 . 16277 1 364 . 1 1 30 30 GLU HG2 H 1 2.016 0.020 . 2 . . . . 30 GLU HG2 . 16277 1 365 . 1 1 30 30 GLU HG3 H 1 2.016 0.020 . 2 . . . . 30 GLU HG3 . 16277 1 366 . 1 1 30 30 GLU C C 13 173.442 0.400 . 1 . . . . 30 GLU C . 16277 1 367 . 1 1 30 30 GLU CA C 13 54.770 0.400 . 1 . . . . 30 GLU CA . 16277 1 368 . 1 1 30 30 GLU CB C 13 33.236 0.400 . 1 . . . . 30 GLU CB . 16277 1 369 . 1 1 30 30 GLU CG C 13 35.273 0.400 . 1 . . . . 30 GLU CG . 16277 1 370 . 1 1 30 30 GLU N N 15 122.456 0.400 . 1 . . . . 30 GLU N . 16277 1 371 . 1 1 31 31 GLN H H 1 8.533 0.020 . 1 . . . . 31 GLN H . 16277 1 372 . 1 1 31 31 GLN HA H 1 4.969 0.020 . 1 . . . . 31 GLN HA . 16277 1 373 . 1 1 31 31 GLN HB2 H 1 1.904 0.020 . 2 . . . . 31 GLN HB2 . 16277 1 374 . 1 1 31 31 GLN HB3 H 1 1.743 0.020 . 2 . . . . 31 GLN HB3 . 16277 1 375 . 1 1 31 31 GLN HE21 H 1 7.676 0.020 . 2 . . . . 31 GLN HE21 . 16277 1 376 . 1 1 31 31 GLN HE22 H 1 6.885 0.020 . 2 . . . . 31 GLN HE22 . 16277 1 377 . 1 1 31 31 GLN HG2 H 1 2.190 0.020 . 2 . . . . 31 GLN HG2 . 16277 1 378 . 1 1 31 31 GLN HG3 H 1 2.139 0.020 . 2 . . . . 31 GLN HG3 . 16277 1 379 . 1 1 31 31 GLN C C 13 175.920 0.400 . 1 . . . . 31 GLN C . 16277 1 380 . 1 1 31 31 GLN CA C 13 54.772 0.400 . 1 . . . . 31 GLN CA . 16277 1 381 . 1 1 31 31 GLN CB C 13 29.826 0.400 . 1 . . . . 31 GLN CB . 16277 1 382 . 1 1 31 31 GLN CG C 13 34.213 0.400 . 1 . . . . 31 GLN CG . 16277 1 383 . 1 1 31 31 GLN N N 15 122.401 0.400 . 1 . . . . 31 GLN N . 16277 1 384 . 1 1 31 31 GLN NE2 N 15 111.878 0.400 . 1 . . . . 31 GLN NE2 . 16277 1 385 . 1 1 32 32 VAL H H 1 9.081 0.020 . 1 . . . . 32 VAL H . 16277 1 386 . 1 1 32 32 VAL HA H 1 4.577 0.020 . 1 . . . . 32 VAL HA . 16277 1 387 . 1 1 32 32 VAL HB H 1 2.014 0.020 . 1 . . . . 32 VAL HB . 16277 1 388 . 1 1 32 32 VAL HG11 H 1 0.744 0.020 . 2 . . . . 32 VAL HG1 . 16277 1 389 . 1 1 32 32 VAL HG12 H 1 0.744 0.020 . 2 . . . . 32 VAL HG1 . 16277 1 390 . 1 1 32 32 VAL HG13 H 1 0.744 0.020 . 2 . . . . 32 VAL HG1 . 16277 1 391 . 1 1 32 32 VAL HG21 H 1 0.635 0.020 . 2 . . . . 32 VAL HG2 . 16277 1 392 . 1 1 32 32 VAL HG22 H 1 0.635 0.020 . 2 . . . . 32 VAL HG2 . 16277 1 393 . 1 1 32 32 VAL HG23 H 1 0.635 0.020 . 2 . . . . 32 VAL HG2 . 16277 1 394 . 1 1 32 32 VAL C C 13 174.369 0.400 . 1 . . . . 32 VAL C . 16277 1 395 . 1 1 32 32 VAL CA C 13 58.826 0.400 . 1 . . . . 32 VAL CA . 16277 1 396 . 1 1 32 32 VAL CB C 13 35.966 0.400 . 1 . . . . 32 VAL CB . 16277 1 397 . 1 1 32 32 VAL CG1 C 13 21.089 0.400 . 1 . . . . 32 VAL CG1 . 16277 1 398 . 1 1 32 32 VAL CG2 C 13 18.913 0.400 . 1 . . . . 32 VAL CG2 . 16277 1 399 . 1 1 32 32 VAL N N 15 120.128 0.400 . 1 . . . . 32 VAL N . 16277 1 400 . 1 1 33 33 ASP H H 1 8.147 0.020 . 1 . . . . 33 ASP H . 16277 1 401 . 1 1 33 33 ASP HA H 1 4.567 0.020 . 1 . . . . 33 ASP HA . 16277 1 402 . 1 1 33 33 ASP HB2 H 1 2.719 0.020 . 2 . . . . 33 ASP HB2 . 16277 1 403 . 1 1 33 33 ASP HB3 H 1 2.462 0.020 . 2 . . . . 33 ASP HB3 . 16277 1 404 . 1 1 33 33 ASP C C 13 177.893 0.400 . 1 . . . . 33 ASP C . 16277 1 405 . 1 1 33 33 ASP CA C 13 54.807 0.400 . 1 . . . . 33 ASP CA . 16277 1 406 . 1 1 33 33 ASP CB C 13 41.235 0.400 . 1 . . . . 33 ASP CB . 16277 1 407 . 1 1 33 33 ASP N N 15 123.050 0.400 . 1 . . . . 33 ASP N . 16277 1 408 . 1 1 34 34 VAL H H 1 7.784 0.020 . 1 . . . . 34 VAL H . 16277 1 409 . 1 1 34 34 VAL HA H 1 3.549 0.020 . 1 . . . . 34 VAL HA . 16277 1 410 . 1 1 34 34 VAL HB H 1 1.576 0.020 . 1 . . . . 34 VAL HB . 16277 1 411 . 1 1 34 34 VAL HG11 H 1 0.820 0.020 . 2 . . . . 34 VAL HG1 . 16277 1 412 . 1 1 34 34 VAL HG12 H 1 0.820 0.020 . 2 . . . . 34 VAL HG1 . 16277 1 413 . 1 1 34 34 VAL HG13 H 1 0.820 0.020 . 2 . . . . 34 VAL HG1 . 16277 1 414 . 1 1 34 34 VAL HG21 H 1 0.836 0.020 . 2 . . . . 34 VAL HG2 . 16277 1 415 . 1 1 34 34 VAL HG22 H 1 0.836 0.020 . 2 . . . . 34 VAL HG2 . 16277 1 416 . 1 1 34 34 VAL HG23 H 1 0.836 0.020 . 2 . . . . 34 VAL HG2 . 16277 1 417 . 1 1 34 34 VAL C C 13 176.438 0.400 . 1 . . . . 34 VAL C . 16277 1 418 . 1 1 34 34 VAL CA C 13 65.097 0.400 . 1 . . . . 34 VAL CA . 16277 1 419 . 1 1 34 34 VAL CB C 13 31.677 0.400 . 1 . . . . 34 VAL CB . 16277 1 420 . 1 1 34 34 VAL CG1 C 13 22.105 0.400 . 1 . . . . 34 VAL CG1 . 16277 1 421 . 1 1 34 34 VAL CG2 C 13 19.992 0.400 . 1 . . . . 34 VAL CG2 . 16277 1 422 . 1 1 34 34 VAL N N 15 124.142 0.400 . 1 . . . . 34 VAL N . 16277 1 423 . 1 1 35 35 GLU H H 1 8.913 0.020 . 1 . . . . 35 GLU H . 16277 1 424 . 1 1 35 35 GLU HA H 1 4.000 0.020 . 1 . . . . 35 GLU HA . 16277 1 425 . 1 1 35 35 GLU HB2 H 1 1.911 0.020 . 2 . . . . 35 GLU HB2 . 16277 1 426 . 1 1 35 35 GLU HB3 H 1 1.857 0.020 . 2 . . . . 35 GLU HB3 . 16277 1 427 . 1 1 35 35 GLU HG2 H 1 2.187 0.020 . 2 . . . . 35 GLU HG2 . 16277 1 428 . 1 1 35 35 GLU HG3 H 1 2.187 0.020 . 2 . . . . 35 GLU HG3 . 16277 1 429 . 1 1 35 35 GLU C C 13 176.823 0.400 . 1 . . . . 35 GLU C . 16277 1 430 . 1 1 35 35 GLU CA C 13 58.305 0.400 . 1 . . . . 35 GLU CA . 16277 1 431 . 1 1 35 35 GLU CB C 13 28.514 0.400 . 1 . . . . 35 GLU CB . 16277 1 432 . 1 1 35 35 GLU CG C 13 36.303 0.400 . 1 . . . . 35 GLU CG . 16277 1 433 . 1 1 35 35 GLU N N 15 120.229 0.400 . 1 . . . . 35 GLU N . 16277 1 434 . 1 1 36 36 LEU H H 1 7.966 0.020 . 1 . . . . 36 LEU H . 16277 1 435 . 1 1 36 36 LEU HA H 1 4.195 0.020 . 1 . . . . 36 LEU HA . 16277 1 436 . 1 1 36 36 LEU HB2 H 1 1.738 0.020 . 2 . . . . 36 LEU HB2 . 16277 1 437 . 1 1 36 36 LEU HB3 H 1 1.506 0.020 . 2 . . . . 36 LEU HB3 . 16277 1 438 . 1 1 36 36 LEU HD11 H 1 0.878 0.020 . 2 . . . . 36 LEU HD1 . 16277 1 439 . 1 1 36 36 LEU HD12 H 1 0.878 0.020 . 2 . . . . 36 LEU HD1 . 16277 1 440 . 1 1 36 36 LEU HD13 H 1 0.878 0.020 . 2 . . . . 36 LEU HD1 . 16277 1 441 . 1 1 36 36 LEU HD21 H 1 0.734 0.020 . 2 . . . . 36 LEU HD2 . 16277 1 442 . 1 1 36 36 LEU HD22 H 1 0.734 0.020 . 2 . . . . 36 LEU HD2 . 16277 1 443 . 1 1 36 36 LEU HD23 H 1 0.734 0.020 . 2 . . . . 36 LEU HD2 . 16277 1 444 . 1 1 36 36 LEU HG H 1 1.501 0.020 . 1 . . . . 36 LEU HG . 16277 1 445 . 1 1 36 36 LEU C C 13 177.865 0.400 . 1 . . . . 36 LEU C . 16277 1 446 . 1 1 36 36 LEU CA C 13 54.472 0.400 . 1 . . . . 36 LEU CA . 16277 1 447 . 1 1 36 36 LEU CB C 13 41.439 0.400 . 1 . . . . 36 LEU CB . 16277 1 448 . 1 1 36 36 LEU CD1 C 13 25.046 0.400 . 1 . . . . 36 LEU CD1 . 16277 1 449 . 1 1 36 36 LEU CD2 C 13 22.323 0.400 . 1 . . . . 36 LEU CD2 . 16277 1 450 . 1 1 36 36 LEU CG C 13 27.302 0.400 . 1 . . . . 36 LEU CG . 16277 1 451 . 1 1 36 36 LEU N N 15 117.624 0.400 . 1 . . . . 36 LEU N . 16277 1 452 . 1 1 37 37 VAL H H 1 7.290 0.020 . 1 . . . . 37 VAL H . 16277 1 453 . 1 1 37 37 VAL HA H 1 3.602 0.020 . 1 . . . . 37 VAL HA . 16277 1 454 . 1 1 37 37 VAL HB H 1 1.948 0.020 . 1 . . . . 37 VAL HB . 16277 1 455 . 1 1 37 37 VAL HG11 H 1 0.774 0.020 . 2 . . . . 37 VAL HG1 . 16277 1 456 . 1 1 37 37 VAL HG12 H 1 0.774 0.020 . 2 . . . . 37 VAL HG1 . 16277 1 457 . 1 1 37 37 VAL HG13 H 1 0.774 0.020 . 2 . . . . 37 VAL HG1 . 16277 1 458 . 1 1 37 37 VAL HG21 H 1 0.802 0.020 . 2 . . . . 37 VAL HG2 . 16277 1 459 . 1 1 37 37 VAL HG22 H 1 0.802 0.020 . 2 . . . . 37 VAL HG2 . 16277 1 460 . 1 1 37 37 VAL HG23 H 1 0.802 0.020 . 2 . . . . 37 VAL HG2 . 16277 1 461 . 1 1 37 37 VAL C C 13 174.243 0.400 . 1 . . . . 37 VAL C . 16277 1 462 . 1 1 37 37 VAL CA C 13 63.589 0.400 . 1 . . . . 37 VAL CA . 16277 1 463 . 1 1 37 37 VAL CB C 13 30.999 0.400 . 1 . . . . 37 VAL CB . 16277 1 464 . 1 1 37 37 VAL CG1 C 13 23.273 0.400 . 1 . . . . 37 VAL CG1 . 16277 1 465 . 1 1 37 37 VAL CG2 C 13 22.439 0.400 . 1 . . . . 37 VAL CG2 . 16277 1 466 . 1 1 37 37 VAL N N 15 121.513 0.400 . 1 . . . . 37 VAL N . 16277 1 467 . 1 1 38 38 GLN H H 1 9.100 0.020 . 1 . . . . 38 GLN H . 16277 1 468 . 1 1 38 38 GLN HA H 1 4.480 0.020 . 1 . . . . 38 GLN HA . 16277 1 469 . 1 1 38 38 GLN HB2 H 1 1.935 0.020 . 2 . . . . 38 GLN HB2 . 16277 1 470 . 1 1 38 38 GLN HB3 H 1 1.677 0.020 . 2 . . . . 38 GLN HB3 . 16277 1 471 . 1 1 38 38 GLN HE21 H 1 7.383 0.020 . 2 . . . . 38 GLN HE21 . 16277 1 472 . 1 1 38 38 GLN HE22 H 1 6.680 0.020 . 2 . . . . 38 GLN HE22 . 16277 1 473 . 1 1 38 38 GLN HG2 H 1 2.284 0.020 . 2 . . . . 38 GLN HG2 . 16277 1 474 . 1 1 38 38 GLN HG3 H 1 2.182 0.020 . 2 . . . . 38 GLN HG3 . 16277 1 475 . 1 1 38 38 GLN C C 13 175.447 0.400 . 1 . . . . 38 GLN C . 16277 1 476 . 1 1 38 38 GLN CA C 13 52.998 0.400 . 1 . . . . 38 GLN CA . 16277 1 477 . 1 1 38 38 GLN CB C 13 31.386 0.400 . 1 . . . . 38 GLN CB . 16277 1 478 . 1 1 38 38 GLN CG C 13 33.499 0.400 . 1 . . . . 38 GLN CG . 16277 1 479 . 1 1 38 38 GLN N N 15 126.333 0.400 . 1 . . . . 38 GLN N . 16277 1 480 . 1 1 38 38 GLN NE2 N 15 113.094 0.400 . 1 . . . . 38 GLN NE2 . 16277 1 481 . 1 1 39 39 ARG H H 1 8.509 0.020 . 1 . . . . 39 ARG H . 16277 1 482 . 1 1 39 39 ARG HA H 1 3.377 0.020 . 1 . . . . 39 ARG HA . 16277 1 483 . 1 1 39 39 ARG HB2 H 1 1.521 0.020 . 2 . . . . 39 ARG HB2 . 16277 1 484 . 1 1 39 39 ARG HB3 H 1 1.521 0.020 . 2 . . . . 39 ARG HB3 . 16277 1 485 . 1 1 39 39 ARG HD2 H 1 3.093 0.020 . 2 . . . . 39 ARG HD2 . 16277 1 486 . 1 1 39 39 ARG HD3 H 1 3.068 0.020 . 2 . . . . 39 ARG HD3 . 16277 1 487 . 1 1 39 39 ARG HG2 H 1 1.543 0.020 . 2 . . . . 39 ARG HG2 . 16277 1 488 . 1 1 39 39 ARG HG3 H 1 1.197 0.020 . 2 . . . . 39 ARG HG3 . 16277 1 489 . 1 1 39 39 ARG C C 13 177.151 0.400 . 1 . . . . 39 ARG C . 16277 1 490 . 1 1 39 39 ARG CA C 13 58.084 0.400 . 1 . . . . 39 ARG CA . 16277 1 491 . 1 1 39 39 ARG CB C 13 28.919 0.400 . 1 . . . . 39 ARG CB . 16277 1 492 . 1 1 39 39 ARG CD C 13 43.278 0.400 . 1 . . . . 39 ARG CD . 16277 1 493 . 1 1 39 39 ARG CG C 13 27.294 0.400 . 1 . . . . 39 ARG CG . 16277 1 494 . 1 1 39 39 ARG N N 15 120.157 0.400 . 1 . . . . 39 ARG N . 16277 1 495 . 1 1 40 40 GLY H H 1 8.982 0.020 . 1 . . . . 40 GLY H . 16277 1 496 . 1 1 40 40 GLY HA2 H 1 4.266 0.020 . 2 . . . . 40 GLY HA2 . 16277 1 497 . 1 1 40 40 GLY HA3 H 1 3.368 0.020 . 2 . . . . 40 GLY HA3 . 16277 1 498 . 1 1 40 40 GLY C C 13 173.717 0.400 . 1 . . . . 40 GLY C . 16277 1 499 . 1 1 40 40 GLY CA C 13 44.719 0.400 . 1 . . . . 40 GLY CA . 16277 1 500 . 1 1 40 40 GLY N N 15 113.854 0.400 . 1 . . . . 40 GLY N . 16277 1 501 . 1 1 41 41 ASP H H 1 7.819 0.020 . 1 . . . . 41 ASP H . 16277 1 502 . 1 1 41 41 ASP HA H 1 4.395 0.020 . 1 . . . . 41 ASP HA . 16277 1 503 . 1 1 41 41 ASP HB2 H 1 2.697 0.020 . 2 . . . . 41 ASP HB2 . 16277 1 504 . 1 1 41 41 ASP HB3 H 1 2.326 0.020 . 2 . . . . 41 ASP HB3 . 16277 1 505 . 1 1 41 41 ASP C C 13 174.239 0.400 . 1 . . . . 41 ASP C . 16277 1 506 . 1 1 41 41 ASP CA C 13 55.365 0.400 . 1 . . . . 41 ASP CA . 16277 1 507 . 1 1 41 41 ASP CB C 13 41.172 0.400 . 1 . . . . 41 ASP CB . 16277 1 508 . 1 1 41 41 ASP N N 15 121.677 0.400 . 1 . . . . 41 ASP N . 16277 1 509 . 1 1 42 42 ILE H H 1 8.814 0.020 . 1 . . . . 42 ILE H . 16277 1 510 . 1 1 42 42 ILE HA H 1 4.904 0.020 . 1 . . . . 42 ILE HA . 16277 1 511 . 1 1 42 42 ILE HB H 1 2.048 0.020 . 1 . . . . 42 ILE HB . 16277 1 512 . 1 1 42 42 ILE HD11 H 1 0.650 0.020 . 1 . . . . 42 ILE HD1 . 16277 1 513 . 1 1 42 42 ILE HD12 H 1 0.650 0.020 . 1 . . . . 42 ILE HD1 . 16277 1 514 . 1 1 42 42 ILE HD13 H 1 0.650 0.020 . 1 . . . . 42 ILE HD1 . 16277 1 515 . 1 1 42 42 ILE HG12 H 1 1.438 0.020 . 2 . . . . 42 ILE HG12 . 16277 1 516 . 1 1 42 42 ILE HG13 H 1 1.252 0.020 . 2 . . . . 42 ILE HG13 . 16277 1 517 . 1 1 42 42 ILE HG21 H 1 0.579 0.020 . 1 . . . . 42 ILE HG2 . 16277 1 518 . 1 1 42 42 ILE HG22 H 1 0.579 0.020 . 1 . . . . 42 ILE HG2 . 16277 1 519 . 1 1 42 42 ILE HG23 H 1 0.579 0.020 . 1 . . . . 42 ILE HG2 . 16277 1 520 . 1 1 42 42 ILE C C 13 174.716 0.400 . 1 . . . . 42 ILE C . 16277 1 521 . 1 1 42 42 ILE CA C 13 58.528 0.400 . 1 . . . . 42 ILE CA . 16277 1 522 . 1 1 42 42 ILE CB C 13 35.211 0.400 . 1 . . . . 42 ILE CB . 16277 1 523 . 1 1 42 42 ILE CD1 C 13 10.657 0.400 . 1 . . . . 42 ILE CD1 . 16277 1 524 . 1 1 42 42 ILE CG1 C 13 26.802 0.400 . 1 . . . . 42 ILE CG1 . 16277 1 525 . 1 1 42 42 ILE CG2 C 13 18.354 0.400 . 1 . . . . 42 ILE CG2 . 16277 1 526 . 1 1 42 42 ILE N N 15 121.108 0.400 . 1 . . . . 42 ILE N . 16277 1 527 . 1 1 43 43 ILE H H 1 9.128 0.020 . 1 . . . . 43 ILE H . 16277 1 528 . 1 1 43 43 ILE HA H 1 5.253 0.020 . 1 . . . . 43 ILE HA . 16277 1 529 . 1 1 43 43 ILE HB H 1 1.620 0.020 . 1 . . . . 43 ILE HB . 16277 1 530 . 1 1 43 43 ILE HD11 H 1 0.652 0.020 . 1 . . . . 43 ILE HD1 . 16277 1 531 . 1 1 43 43 ILE HD12 H 1 0.652 0.020 . 1 . . . . 43 ILE HD1 . 16277 1 532 . 1 1 43 43 ILE HD13 H 1 0.652 0.020 . 1 . . . . 43 ILE HD1 . 16277 1 533 . 1 1 43 43 ILE HG12 H 1 1.162 0.020 . 2 . . . . 43 ILE HG12 . 16277 1 534 . 1 1 43 43 ILE HG13 H 1 1.162 0.020 . 2 . . . . 43 ILE HG13 . 16277 1 535 . 1 1 43 43 ILE HG21 H 1 0.774 0.020 . 1 . . . . 43 ILE HG2 . 16277 1 536 . 1 1 43 43 ILE HG22 H 1 0.774 0.020 . 1 . . . . 43 ILE HG2 . 16277 1 537 . 1 1 43 43 ILE HG23 H 1 0.774 0.020 . 1 . . . . 43 ILE HG2 . 16277 1 538 . 1 1 43 43 ILE C C 13 174.909 0.400 . 1 . . . . 43 ILE C . 16277 1 539 . 1 1 43 43 ILE CA C 13 56.778 0.400 . 1 . . . . 43 ILE CA . 16277 1 540 . 1 1 43 43 ILE CB C 13 40.586 0.400 . 1 . . . . 43 ILE CB . 16277 1 541 . 1 1 43 43 ILE CD1 C 13 14.057 0.400 . 1 . . . . 43 ILE CD1 . 16277 1 542 . 1 1 43 43 ILE CG1 C 13 27.746 0.400 . 1 . . . . 43 ILE CG1 . 16277 1 543 . 1 1 43 43 ILE CG2 C 13 18.656 0.400 . 1 . . . . 43 ILE CG2 . 16277 1 544 . 1 1 43 43 ILE N N 15 125.495 0.400 . 1 . . . . 43 ILE N . 16277 1 545 . 1 1 44 44 LYS H H 1 8.278 0.020 . 1 . . . . 44 LYS H . 16277 1 546 . 1 1 44 44 LYS HA H 1 5.054 0.020 . 1 . . . . 44 LYS HA . 16277 1 547 . 1 1 44 44 LYS HB2 H 1 1.332 0.020 . 2 . . . . 44 LYS HB2 . 16277 1 548 . 1 1 44 44 LYS HB3 H 1 1.332 0.020 . 2 . . . . 44 LYS HB3 . 16277 1 549 . 1 1 44 44 LYS HD2 H 1 1.361 0.020 . 2 . . . . 44 LYS HD2 . 16277 1 550 . 1 1 44 44 LYS HD3 H 1 1.361 0.020 . 2 . . . . 44 LYS HD3 . 16277 1 551 . 1 1 44 44 LYS HE2 H 1 2.602 0.020 . 2 . . . . 44 LYS HE2 . 16277 1 552 . 1 1 44 44 LYS HE3 H 1 2.542 0.020 . 2 . . . . 44 LYS HE3 . 16277 1 553 . 1 1 44 44 LYS HG2 H 1 1.101 0.020 . 2 . . . . 44 LYS HG2 . 16277 1 554 . 1 1 44 44 LYS HG3 H 1 1.101 0.020 . 2 . . . . 44 LYS HG3 . 16277 1 555 . 1 1 44 44 LYS C C 13 175.210 0.400 . 1 . . . . 44 LYS C . 16277 1 556 . 1 1 44 44 LYS CA C 13 53.976 0.400 . 1 . . . . 44 LYS CA . 16277 1 557 . 1 1 44 44 LYS CB C 13 35.667 0.400 . 1 . . . . 44 LYS CB . 16277 1 558 . 1 1 44 44 LYS CD C 13 29.508 0.400 . 1 . . . . 44 LYS CD . 16277 1 559 . 1 1 44 44 LYS CE C 13 41.180 0.400 . 1 . . . . 44 LYS CE . 16277 1 560 . 1 1 44 44 LYS CG C 13 24.174 0.400 . 1 . . . . 44 LYS CG . 16277 1 561 . 1 1 44 44 LYS N N 15 126.213 0.400 . 1 . . . . 44 LYS N . 16277 1 562 . 1 1 45 45 VAL H H 1 8.851 0.020 . 1 . . . . 45 VAL H . 16277 1 563 . 1 1 45 45 VAL HA H 1 4.244 0.020 . 1 . . . . 45 VAL HA . 16277 1 564 . 1 1 45 45 VAL HB H 1 1.419 0.020 . 1 . . . . 45 VAL HB . 16277 1 565 . 1 1 45 45 VAL HG11 H 1 0.656 0.020 . 2 . . . . 45 VAL HG1 . 16277 1 566 . 1 1 45 45 VAL HG12 H 1 0.656 0.020 . 2 . . . . 45 VAL HG1 . 16277 1 567 . 1 1 45 45 VAL HG13 H 1 0.656 0.020 . 2 . . . . 45 VAL HG1 . 16277 1 568 . 1 1 45 45 VAL HG21 H 1 -0.012 0.020 . 2 . . . . 45 VAL HG2 . 16277 1 569 . 1 1 45 45 VAL HG22 H 1 -0.012 0.020 . 2 . . . . 45 VAL HG2 . 16277 1 570 . 1 1 45 45 VAL HG23 H 1 -0.012 0.020 . 2 . . . . 45 VAL HG2 . 16277 1 571 . 1 1 45 45 VAL C C 13 174.501 0.400 . 1 . . . . 45 VAL C . 16277 1 572 . 1 1 45 45 VAL CA C 13 60.926 0.400 . 1 . . . . 45 VAL CA . 16277 1 573 . 1 1 45 45 VAL CB C 13 33.156 0.400 . 1 . . . . 45 VAL CB . 16277 1 574 . 1 1 45 45 VAL CG1 C 13 21.006 0.400 . 1 . . . . 45 VAL CG1 . 16277 1 575 . 1 1 45 45 VAL CG2 C 13 19.739 0.400 . 1 . . . . 45 VAL CG2 . 16277 1 576 . 1 1 45 45 VAL N N 15 129.163 0.400 . 1 . . . . 45 VAL N . 16277 1 577 . 1 1 46 46 VAL H H 1 7.632 0.020 . 1 . . . . 46 VAL H . 16277 1 578 . 1 1 46 46 VAL HA H 1 4.468 0.020 . 1 . . . . 46 VAL HA . 16277 1 579 . 1 1 46 46 VAL HB H 1 2.370 0.020 . 1 . . . . 46 VAL HB . 16277 1 580 . 1 1 46 46 VAL HG11 H 1 0.842 0.020 . 2 . . . . 46 VAL HG1 . 16277 1 581 . 1 1 46 46 VAL HG12 H 1 0.842 0.020 . 2 . . . . 46 VAL HG1 . 16277 1 582 . 1 1 46 46 VAL HG13 H 1 0.842 0.020 . 2 . . . . 46 VAL HG1 . 16277 1 583 . 1 1 46 46 VAL HG21 H 1 0.659 0.020 . 2 . . . . 46 VAL HG2 . 16277 1 584 . 1 1 46 46 VAL HG22 H 1 0.659 0.020 . 2 . . . . 46 VAL HG2 . 16277 1 585 . 1 1 46 46 VAL HG23 H 1 0.659 0.020 . 2 . . . . 46 VAL HG2 . 16277 1 586 . 1 1 46 46 VAL C C 13 176.667 0.400 . 1 . . . . 46 VAL C . 16277 1 587 . 1 1 46 46 VAL CA C 13 59.831 0.400 . 1 . . . . 46 VAL CA . 16277 1 588 . 1 1 46 46 VAL CB C 13 29.168 0.400 . 1 . . . . 46 VAL CB . 16277 1 589 . 1 1 46 46 VAL CG1 C 13 21.450 0.400 . 1 . . . . 46 VAL CG1 . 16277 1 590 . 1 1 46 46 VAL CG2 C 13 16.486 0.400 . 1 . . . . 46 VAL CG2 . 16277 1 591 . 1 1 46 46 VAL N N 15 119.280 0.400 . 1 . . . . 46 VAL N . 16277 1 592 . 1 1 47 47 PRO HA H 1 3.690 0.020 . 1 . . . . 47 PRO HA . 16277 1 593 . 1 1 47 47 PRO HB2 H 1 2.170 0.020 . 2 . . . . 47 PRO HB2 . 16277 1 594 . 1 1 47 47 PRO HB3 H 1 2.170 0.020 . 2 . . . . 47 PRO HB3 . 16277 1 595 . 1 1 47 47 PRO HG2 H 1 1.665 0.020 . 2 . . . . 47 PRO HG2 . 16277 1 596 . 1 1 47 47 PRO HG3 H 1 1.665 0.020 . 2 . . . . 47 PRO HG3 . 16277 1 597 . 1 1 47 47 PRO C C 13 177.100 0.400 . 1 . . . . 47 PRO C . 16277 1 598 . 1 1 47 47 PRO CA C 13 64.691 0.400 . 1 . . . . 47 PRO CA . 16277 1 599 . 1 1 47 47 PRO CB C 13 31.578 0.400 . 1 . . . . 47 PRO CB . 16277 1 600 . 1 1 47 47 PRO CG C 13 30.460 0.400 . 1 . . . . 47 PRO CG . 16277 1 601 . 1 1 48 48 GLY H H 1 8.262 0.020 . 1 . . . . 48 GLY H . 16277 1 602 . 1 1 48 48 GLY HA2 H 1 4.058 0.020 . 2 . . . . 48 GLY HA2 . 16277 1 603 . 1 1 48 48 GLY HA3 H 1 3.695 0.020 . 2 . . . . 48 GLY HA3 . 16277 1 604 . 1 1 48 48 GLY C C 13 174.170 0.400 . 1 . . . . 48 GLY C . 16277 1 605 . 1 1 48 48 GLY CA C 13 45.168 0.400 . 1 . . . . 48 GLY CA . 16277 1 606 . 1 1 48 48 GLY N N 15 115.153 0.400 . 1 . . . . 48 GLY N . 16277 1 607 . 1 1 49 49 GLY H H 1 8.255 0.020 . 1 . . . . 49 GLY H . 16277 1 608 . 1 1 49 49 GLY HA2 H 1 3.940 0.020 . 2 . . . . 49 GLY HA2 . 16277 1 609 . 1 1 49 49 GLY HA3 H 1 3.359 0.020 . 2 . . . . 49 GLY HA3 . 16277 1 610 . 1 1 49 49 GLY C C 13 171.377 0.400 . 1 . . . . 49 GLY C . 16277 1 611 . 1 1 49 49 GLY CA C 13 44.359 0.400 . 1 . . . . 49 GLY CA . 16277 1 612 . 1 1 49 49 GLY N N 15 107.843 0.400 . 1 . . . . 49 GLY N . 16277 1 613 . 1 1 50 50 LYS H H 1 8.143 0.020 . 1 . . . . 50 LYS H . 16277 1 614 . 1 1 50 50 LYS HA H 1 4.854 0.020 . 1 . . . . 50 LYS HA . 16277 1 615 . 1 1 50 50 LYS HB2 H 1 1.543 0.020 . 2 . . . . 50 LYS HB2 . 16277 1 616 . 1 1 50 50 LYS HB3 H 1 1.543 0.020 . 2 . . . . 50 LYS HB3 . 16277 1 617 . 1 1 50 50 LYS HD2 H 1 1.549 0.020 . 2 . . . . 50 LYS HD2 . 16277 1 618 . 1 1 50 50 LYS HD3 H 1 1.549 0.020 . 2 . . . . 50 LYS HD3 . 16277 1 619 . 1 1 50 50 LYS HE2 H 1 2.852 0.020 . 2 . . . . 50 LYS HE2 . 16277 1 620 . 1 1 50 50 LYS HE3 H 1 2.852 0.020 . 2 . . . . 50 LYS HE3 . 16277 1 621 . 1 1 50 50 LYS HG2 H 1 1.370 0.020 . 2 . . . . 50 LYS HG2 . 16277 1 622 . 1 1 50 50 LYS HG3 H 1 1.265 0.020 . 2 . . . . 50 LYS HG3 . 16277 1 623 . 1 1 50 50 LYS C C 13 177.635 0.400 . 1 . . . . 50 LYS C . 16277 1 624 . 1 1 50 50 LYS CA C 13 54.095 0.400 . 1 . . . . 50 LYS CA . 16277 1 625 . 1 1 50 50 LYS CB C 13 33.627 0.400 . 1 . . . . 50 LYS CB . 16277 1 626 . 1 1 50 50 LYS CD C 13 29.042 0.400 . 1 . . . . 50 LYS CD . 16277 1 627 . 1 1 50 50 LYS CE C 13 41.571 0.400 . 1 . . . . 50 LYS CE . 16277 1 628 . 1 1 50 50 LYS CG C 13 24.573 0.400 . 1 . . . . 50 LYS CG . 16277 1 629 . 1 1 50 50 LYS N N 15 119.299 0.400 . 1 . . . . 50 LYS N . 16277 1 630 . 1 1 51 51 PHE H H 1 8.286 0.020 . 1 . . . . 51 PHE H . 16277 1 631 . 1 1 51 51 PHE HA H 1 4.276 0.020 . 1 . . . . 51 PHE HA . 16277 1 632 . 1 1 51 51 PHE HB2 H 1 3.155 0.020 . 2 . . . . 51 PHE HB2 . 16277 1 633 . 1 1 51 51 PHE HB3 H 1 2.831 0.020 . 2 . . . . 51 PHE HB3 . 16277 1 634 . 1 1 51 51 PHE HD1 H 1 7.246 0.020 . 1 . . . . 51 PHE HD1 . 16277 1 635 . 1 1 51 51 PHE HD2 H 1 7.246 0.020 . 1 . . . . 51 PHE HD2 . 16277 1 636 . 1 1 51 51 PHE HE1 H 1 6.928 0.020 . 1 . . . . 51 PHE HE1 . 16277 1 637 . 1 1 51 51 PHE HE2 H 1 6.928 0.020 . 1 . . . . 51 PHE HE2 . 16277 1 638 . 1 1 51 51 PHE C C 13 175.743 0.400 . 1 . . . . 51 PHE C . 16277 1 639 . 1 1 51 51 PHE CA C 13 57.162 0.400 . 1 . . . . 51 PHE CA . 16277 1 640 . 1 1 51 51 PHE CB C 13 38.285 0.400 . 1 . . . . 51 PHE CB . 16277 1 641 . 1 1 51 51 PHE N N 15 122.123 0.400 . 1 . . . . 51 PHE N . 16277 1 642 . 1 1 52 52 PRO HA H 1 4.304 0.020 . 1 . . . . 52 PRO HA . 16277 1 643 . 1 1 52 52 PRO HB2 H 1 2.175 0.020 . 2 . . . . 52 PRO HB2 . 16277 1 644 . 1 1 52 52 PRO HB3 H 1 1.833 0.020 . 2 . . . . 52 PRO HB3 . 16277 1 645 . 1 1 52 52 PRO HD2 H 1 3.718 0.020 . 2 . . . . 52 PRO HD2 . 16277 1 646 . 1 1 52 52 PRO HD3 H 1 3.516 0.020 . 2 . . . . 52 PRO HD3 . 16277 1 647 . 1 1 52 52 PRO HG2 H 1 1.945 0.020 . 2 . . . . 52 PRO HG2 . 16277 1 648 . 1 1 52 52 PRO HG3 H 1 1.889 0.020 . 2 . . . . 52 PRO HG3 . 16277 1 649 . 1 1 52 52 PRO C C 13 174.237 0.400 . 1 . . . . 52 PRO C . 16277 1 650 . 1 1 52 52 PRO CA C 13 63.699 0.400 . 1 . . . . 52 PRO CA . 16277 1 651 . 1 1 52 52 PRO CB C 13 31.788 0.400 . 1 . . . . 52 PRO CB . 16277 1 652 . 1 1 52 52 PRO CD C 13 50.534 0.400 . 1 . . . . 52 PRO CD . 16277 1 653 . 1 1 52 52 PRO CG C 13 26.938 0.400 . 1 . . . . 52 PRO CG . 16277 1 654 . 1 1 53 53 VAL H H 1 7.002 0.020 . 1 . . . . 53 VAL H . 16277 1 655 . 1 1 53 53 VAL HA H 1 4.437 0.020 . 1 . . . . 53 VAL HA . 16277 1 656 . 1 1 53 53 VAL HB H 1 2.614 0.020 . 1 . . . . 53 VAL HB . 16277 1 657 . 1 1 53 53 VAL HG11 H 1 0.774 0.020 . 2 . . . . 53 VAL HG1 . 16277 1 658 . 1 1 53 53 VAL HG12 H 1 0.774 0.020 . 2 . . . . 53 VAL HG1 . 16277 1 659 . 1 1 53 53 VAL HG13 H 1 0.774 0.020 . 2 . . . . 53 VAL HG1 . 16277 1 660 . 1 1 53 53 VAL HG21 H 1 0.445 0.020 . 2 . . . . 53 VAL HG2 . 16277 1 661 . 1 1 53 53 VAL HG22 H 1 0.445 0.020 . 2 . . . . 53 VAL HG2 . 16277 1 662 . 1 1 53 53 VAL HG23 H 1 0.445 0.020 . 2 . . . . 53 VAL HG2 . 16277 1 663 . 1 1 53 53 VAL C C 13 173.201 0.400 . 1 . . . . 53 VAL C . 16277 1 664 . 1 1 53 53 VAL CA C 13 58.028 0.400 . 1 . . . . 53 VAL CA . 16277 1 665 . 1 1 53 53 VAL CB C 13 34.537 0.400 . 1 . . . . 53 VAL CB . 16277 1 666 . 1 1 53 53 VAL CG2 C 13 17.810 0.400 . 1 . . . . 53 VAL CG2 . 16277 1 667 . 1 1 53 53 VAL N N 15 107.090 0.400 . 1 . . . . 53 VAL N . 16277 1 668 . 1 1 54 54 ASP H H 1 7.650 0.020 . 1 . . . . 54 ASP H . 16277 1 669 . 1 1 54 54 ASP HA H 1 5.098 0.020 . 1 . . . . 54 ASP HA . 16277 1 670 . 1 1 54 54 ASP HB2 H 1 2.849 0.020 . 2 . . . . 54 ASP HB2 . 16277 1 671 . 1 1 54 54 ASP HB3 H 1 2.688 0.020 . 2 . . . . 54 ASP HB3 . 16277 1 672 . 1 1 54 54 ASP C C 13 177.285 0.400 . 1 . . . . 54 ASP C . 16277 1 673 . 1 1 54 54 ASP CA C 13 52.938 0.400 . 1 . . . . 54 ASP CA . 16277 1 674 . 1 1 54 54 ASP CB C 13 40.764 0.400 . 1 . . . . 54 ASP CB . 16277 1 675 . 1 1 54 54 ASP N N 15 117.968 0.400 . 1 . . . . 54 ASP N . 16277 1 676 . 1 1 55 55 GLY H H 1 8.236 0.020 . 1 . . . . 55 GLY H . 16277 1 677 . 1 1 55 55 GLY HA2 H 1 4.865 0.020 . 2 . . . . 55 GLY HA2 . 16277 1 678 . 1 1 55 55 GLY HA3 H 1 3.888 0.020 . 2 . . . . 55 GLY HA3 . 16277 1 679 . 1 1 55 55 GLY C C 13 170.908 0.400 . 1 . . . . 55 GLY C . 16277 1 680 . 1 1 55 55 GLY CA C 13 46.738 0.400 . 1 . . . . 55 GLY CA . 16277 1 681 . 1 1 55 55 GLY N N 15 107.374 0.400 . 1 . . . . 55 GLY N . 16277 1 682 . 1 1 56 56 ARG H H 1 8.218 0.020 . 1 . . . . 56 ARG H . 16277 1 683 . 1 1 56 56 ARG HA H 1 5.078 0.020 . 1 . . . . 56 ARG HA . 16277 1 684 . 1 1 56 56 ARG HB2 H 1 1.489 0.020 . 2 . . . . 56 ARG HB2 . 16277 1 685 . 1 1 56 56 ARG HB3 H 1 1.489 0.020 . 2 . . . . 56 ARG HB3 . 16277 1 686 . 1 1 56 56 ARG HD2 H 1 3.002 0.020 . 2 . . . . 56 ARG HD2 . 16277 1 687 . 1 1 56 56 ARG HD3 H 1 3.002 0.020 . 2 . . . . 56 ARG HD3 . 16277 1 688 . 1 1 56 56 ARG HG2 H 1 1.333 0.020 . 2 . . . . 56 ARG HG2 . 16277 1 689 . 1 1 56 56 ARG HG3 H 1 1.283 0.020 . 2 . . . . 56 ARG HG3 . 16277 1 690 . 1 1 56 56 ARG C C 13 175.749 0.400 . 1 . . . . 56 ARG C . 16277 1 691 . 1 1 56 56 ARG CA C 13 52.891 0.400 . 1 . . . . 56 ARG CA . 16277 1 692 . 1 1 56 56 ARG CB C 13 33.283 0.400 . 1 . . . . 56 ARG CB . 16277 1 693 . 1 1 56 56 ARG CD C 13 42.699 0.400 . 1 . . . . 56 ARG CD . 16277 1 694 . 1 1 56 56 ARG CG C 13 26.894 0.400 . 1 . . . . 56 ARG CG . 16277 1 695 . 1 1 56 56 ARG N N 15 119.242 0.400 . 1 . . . . 56 ARG N . 16277 1 696 . 1 1 57 57 VAL H H 1 9.151 0.020 . 1 . . . . 57 VAL H . 16277 1 697 . 1 1 57 57 VAL HA H 1 3.779 0.020 . 1 . . . . 57 VAL HA . 16277 1 698 . 1 1 57 57 VAL HB H 1 2.161 0.020 . 1 . . . . 57 VAL HB . 16277 1 699 . 1 1 57 57 VAL HG11 H 1 0.534 0.020 . 2 . . . . 57 VAL HG1 . 16277 1 700 . 1 1 57 57 VAL HG12 H 1 0.534 0.020 . 2 . . . . 57 VAL HG1 . 16277 1 701 . 1 1 57 57 VAL HG13 H 1 0.534 0.020 . 2 . . . . 57 VAL HG1 . 16277 1 702 . 1 1 57 57 VAL HG21 H 1 0.589 0.020 . 2 . . . . 57 VAL HG2 . 16277 1 703 . 1 1 57 57 VAL HG22 H 1 0.589 0.020 . 2 . . . . 57 VAL HG2 . 16277 1 704 . 1 1 57 57 VAL HG23 H 1 0.589 0.020 . 2 . . . . 57 VAL HG2 . 16277 1 705 . 1 1 57 57 VAL C C 13 172.917 0.400 . 1 . . . . 57 VAL C . 16277 1 706 . 1 1 57 57 VAL CA C 13 63.680 0.400 . 1 . . . . 57 VAL CA . 16277 1 707 . 1 1 57 57 VAL CB C 13 31.296 0.400 . 1 . . . . 57 VAL CB . 16277 1 708 . 1 1 57 57 VAL CG1 C 13 22.566 0.400 . 1 . . . . 57 VAL CG1 . 16277 1 709 . 1 1 57 57 VAL CG2 C 13 22.669 0.400 . 1 . . . . 57 VAL CG2 . 16277 1 710 . 1 1 57 57 VAL N N 15 125.295 0.400 . 1 . . . . 57 VAL N . 16277 1 711 . 1 1 58 58 ILE H H 1 9.298 0.020 . 1 . . . . 58 ILE H . 16277 1 712 . 1 1 58 58 ILE HA H 1 4.410 0.020 . 1 . . . . 58 ILE HA . 16277 1 713 . 1 1 58 58 ILE HB H 1 1.758 0.020 . 1 . . . . 58 ILE HB . 16277 1 714 . 1 1 58 58 ILE HD11 H 1 0.658 0.020 . 1 . . . . 58 ILE HD1 . 16277 1 715 . 1 1 58 58 ILE HD12 H 1 0.658 0.020 . 1 . . . . 58 ILE HD1 . 16277 1 716 . 1 1 58 58 ILE HD13 H 1 0.658 0.020 . 1 . . . . 58 ILE HD1 . 16277 1 717 . 1 1 58 58 ILE HG12 H 1 1.190 0.020 . 2 . . . . 58 ILE HG12 . 16277 1 718 . 1 1 58 58 ILE HG13 H 1 0.784 0.020 . 2 . . . . 58 ILE HG13 . 16277 1 719 . 1 1 58 58 ILE HG21 H 1 0.760 0.020 . 1 . . . . 58 ILE HG2 . 16277 1 720 . 1 1 58 58 ILE HG22 H 1 0.760 0.020 . 1 . . . . 58 ILE HG2 . 16277 1 721 . 1 1 58 58 ILE HG23 H 1 0.760 0.020 . 1 . . . . 58 ILE HG2 . 16277 1 722 . 1 1 58 58 ILE C C 13 174.432 0.400 . 1 . . . . 58 ILE C . 16277 1 723 . 1 1 58 58 ILE CA C 13 60.867 0.400 . 1 . . . . 58 ILE CA . 16277 1 724 . 1 1 58 58 ILE CB C 13 39.244 0.400 . 1 . . . . 58 ILE CB . 16277 1 725 . 1 1 58 58 ILE CD1 C 13 13.402 0.400 . 1 . . . . 58 ILE CD1 . 16277 1 726 . 1 1 58 58 ILE CG1 C 13 26.779 0.400 . 1 . . . . 58 ILE CG1 . 16277 1 727 . 1 1 58 58 ILE CG2 C 13 17.467 0.400 . 1 . . . . 58 ILE CG2 . 16277 1 728 . 1 1 58 58 ILE N N 15 125.065 0.400 . 1 . . . . 58 ILE N . 16277 1 729 . 1 1 59 59 GLU H H 1 7.486 0.020 . 1 . . . . 59 GLU H . 16277 1 730 . 1 1 59 59 GLU HA H 1 4.292 0.020 . 1 . . . . 59 GLU HA . 16277 1 731 . 1 1 59 59 GLU HB2 H 1 1.876 0.020 . 2 . . . . 59 GLU HB2 . 16277 1 732 . 1 1 59 59 GLU HB3 H 1 1.698 0.020 . 2 . . . . 59 GLU HB3 . 16277 1 733 . 1 1 59 59 GLU HG2 H 1 2.142 0.020 . 2 . . . . 59 GLU HG2 . 16277 1 734 . 1 1 59 59 GLU HG3 H 1 2.101 0.020 . 2 . . . . 59 GLU HG3 . 16277 1 735 . 1 1 59 59 GLU C C 13 173.266 0.400 . 1 . . . . 59 GLU C . 16277 1 736 . 1 1 59 59 GLU CA C 13 56.345 0.400 . 1 . . . . 59 GLU CA . 16277 1 737 . 1 1 59 59 GLU CB C 13 33.559 0.400 . 1 . . . . 59 GLU CB . 16277 1 738 . 1 1 59 59 GLU CG C 13 35.678 0.400 . 1 . . . . 59 GLU CG . 16277 1 739 . 1 1 59 59 GLU N N 15 121.487 0.400 . 1 . . . . 59 GLU N . 16277 1 740 . 1 1 60 60 GLY H H 1 8.282 0.020 . 1 . . . . 60 GLY H . 16277 1 741 . 1 1 60 60 GLY HA2 H 1 3.616 0.020 . 2 . . . . 60 GLY HA2 . 16277 1 742 . 1 1 60 60 GLY HA3 H 1 4.624 0.020 . 2 . . . . 60 GLY HA3 . 16277 1 743 . 1 1 60 60 GLY C C 13 169.877 0.400 . 1 . . . . 60 GLY C . 16277 1 744 . 1 1 60 60 GLY CA C 13 44.007 0.400 . 1 . . . . 60 GLY CA . 16277 1 745 . 1 1 60 60 GLY N N 15 114.110 0.400 . 1 . . . . 60 GLY N . 16277 1 746 . 1 1 61 61 HIS H H 1 7.318 0.020 . 1 . . . . 61 HIS H . 16277 1 747 . 1 1 61 61 HIS HA H 1 5.095 0.020 . 1 . . . . 61 HIS HA . 16277 1 748 . 1 1 61 61 HIS HB2 H 1 3.059 0.020 . 2 . . . . 61 HIS HB2 . 16277 1 749 . 1 1 61 61 HIS HB3 H 1 2.849 0.020 . 2 . . . . 61 HIS HB3 . 16277 1 750 . 1 1 61 61 HIS HD2 H 1 6.956 0.020 . 1 . . . . 61 HIS HD2 . 16277 1 751 . 1 1 61 61 HIS HE1 H 1 6.678 0.020 . 1 . . . . 61 HIS HE1 . 16277 1 752 . 1 1 61 61 HIS C C 13 174.816 0.400 . 1 . . . . 61 HIS C . 16277 1 753 . 1 1 61 61 HIS CA C 13 54.430 0.400 . 1 . . . . 61 HIS CA . 16277 1 754 . 1 1 61 61 HIS CB C 13 32.447 0.400 . 1 . . . . 61 HIS CB . 16277 1 755 . 1 1 61 61 HIS N N 15 112.363 0.400 . 1 . . . . 61 HIS N . 16277 1 756 . 1 1 62 62 SER H H 1 8.250 0.020 . 1 . . . . 62 SER H . 16277 1 757 . 1 1 62 62 SER HA H 1 4.515 0.020 . 1 . . . . 62 SER HA . 16277 1 758 . 1 1 62 62 SER HB2 H 1 3.705 0.020 . 2 . . . . 62 SER HB2 . 16277 1 759 . 1 1 62 62 SER HB3 H 1 3.254 0.020 . 2 . . . . 62 SER HB3 . 16277 1 760 . 1 1 62 62 SER C C 13 173.245 0.400 . 1 . . . . 62 SER C . 16277 1 761 . 1 1 62 62 SER CA C 13 55.773 0.400 . 1 . . . . 62 SER CA . 16277 1 762 . 1 1 62 62 SER CB C 13 64.727 0.400 . 1 . . . . 62 SER CB . 16277 1 763 . 1 1 62 62 SER N N 15 114.275 0.400 . 1 . . . . 62 SER N . 16277 1 764 . 1 1 63 63 MET H H 1 8.465 0.020 . 1 . . . . 63 MET H . 16277 1 765 . 1 1 63 63 MET HA H 1 5.198 0.020 . 1 . . . . 63 MET HA . 16277 1 766 . 1 1 63 63 MET HB2 H 1 1.632 0.020 . 2 . . . . 63 MET HB2 . 16277 1 767 . 1 1 63 63 MET HB3 H 1 2.041 0.020 . 2 . . . . 63 MET HB3 . 16277 1 768 . 1 1 63 63 MET HE1 H 1 1.869 0.020 . 1 . . . . 63 MET HE . 16277 1 769 . 1 1 63 63 MET HE2 H 1 1.869 0.020 . 1 . . . . 63 MET HE . 16277 1 770 . 1 1 63 63 MET HE3 H 1 1.869 0.020 . 1 . . . . 63 MET HE . 16277 1 771 . 1 1 63 63 MET HG2 H 1 2.505 0.020 . 2 . . . . 63 MET HG2 . 16277 1 772 . 1 1 63 63 MET HG3 H 1 2.595 0.020 . 2 . . . . 63 MET HG3 . 16277 1 773 . 1 1 63 63 MET C C 13 174.981 0.400 . 1 . . . . 63 MET C . 16277 1 774 . 1 1 63 63 MET CA C 13 53.169 0.400 . 1 . . . . 63 MET CA . 16277 1 775 . 1 1 63 63 MET CB C 13 32.824 0.400 . 1 . . . . 63 MET CB . 16277 1 776 . 1 1 63 63 MET CE C 13 16.326 0.400 . 1 . . . . 63 MET CE . 16277 1 777 . 1 1 63 63 MET CG C 13 31.672 0.400 . 1 . . . . 63 MET CG . 16277 1 778 . 1 1 63 63 MET N N 15 121.909 0.400 . 1 . . . . 63 MET N . 16277 1 779 . 1 1 64 64 VAL H H 1 8.960 0.020 . 1 . . . . 64 VAL H . 16277 1 780 . 1 1 64 64 VAL HA H 1 4.776 0.020 . 1 . . . . 64 VAL HA . 16277 1 781 . 1 1 64 64 VAL HB H 1 1.805 0.020 . 1 . . . . 64 VAL HB . 16277 1 782 . 1 1 64 64 VAL HG11 H 1 1.009 0.020 . 2 . . . . 64 VAL HG1 . 16277 1 783 . 1 1 64 64 VAL HG12 H 1 1.009 0.020 . 2 . . . . 64 VAL HG1 . 16277 1 784 . 1 1 64 64 VAL HG13 H 1 1.009 0.020 . 2 . . . . 64 VAL HG1 . 16277 1 785 . 1 1 64 64 VAL HG21 H 1 0.981 0.020 . 2 . . . . 64 VAL HG2 . 16277 1 786 . 1 1 64 64 VAL HG22 H 1 0.981 0.020 . 2 . . . . 64 VAL HG2 . 16277 1 787 . 1 1 64 64 VAL HG23 H 1 0.981 0.020 . 2 . . . . 64 VAL HG2 . 16277 1 788 . 1 1 64 64 VAL C C 13 174.306 0.400 . 1 . . . . 64 VAL C . 16277 1 789 . 1 1 64 64 VAL CA C 13 60.910 0.400 . 1 . . . . 64 VAL CA . 16277 1 790 . 1 1 64 64 VAL CB C 13 35.541 0.400 . 1 . . . . 64 VAL CB . 16277 1 791 . 1 1 64 64 VAL CG1 C 13 23.754 0.400 . 1 . . . . 64 VAL CG1 . 16277 1 792 . 1 1 64 64 VAL CG2 C 13 22.140 0.400 . 1 . . . . 64 VAL CG2 . 16277 1 793 . 1 1 64 64 VAL N N 15 118.843 0.400 . 1 . . . . 64 VAL N . 16277 1 794 . 1 1 65 65 ASP H H 1 9.008 0.020 . 1 . . . . 65 ASP H . 16277 1 795 . 1 1 65 65 ASP HA H 1 4.806 0.020 . 1 . . . . 65 ASP HA . 16277 1 796 . 1 1 65 65 ASP HB2 H 1 2.973 0.020 . 2 . . . . 65 ASP HB2 . 16277 1 797 . 1 1 65 65 ASP HB3 H 1 2.537 0.020 . 2 . . . . 65 ASP HB3 . 16277 1 798 . 1 1 65 65 ASP C C 13 176.762 0.400 . 1 . . . . 65 ASP C . 16277 1 799 . 1 1 65 65 ASP CA C 13 52.760 0.400 . 1 . . . . 65 ASP CA . 16277 1 800 . 1 1 65 65 ASP CB C 13 41.257 0.400 . 1 . . . . 65 ASP CB . 16277 1 801 . 1 1 65 65 ASP N N 15 124.642 0.400 . 1 . . . . 65 ASP N . 16277 1 802 . 1 1 66 66 GLU H H 1 9.149 0.020 . 1 . . . . 66 GLU H . 16277 1 803 . 1 1 66 66 GLU HA H 1 4.241 0.020 . 1 . . . . 66 GLU HA . 16277 1 804 . 1 1 66 66 GLU HB2 H 1 1.838 0.020 . 2 . . . . 66 GLU HB2 . 16277 1 805 . 1 1 66 66 GLU HB3 H 1 1.838 0.020 . 2 . . . . 66 GLU HB3 . 16277 1 806 . 1 1 66 66 GLU HG2 H 1 2.237 0.020 . 2 . . . . 66 GLU HG2 . 16277 1 807 . 1 1 66 66 GLU HG3 H 1 2.237 0.020 . 2 . . . . 66 GLU HG3 . 16277 1 808 . 1 1 66 66 GLU C C 13 177.018 0.400 . 1 . . . . 66 GLU C . 16277 1 809 . 1 1 66 66 GLU CA C 13 55.148 0.400 . 1 . . . . 66 GLU CA . 16277 1 810 . 1 1 66 66 GLU CB C 13 29.581 0.400 . 1 . . . . 66 GLU CB . 16277 1 811 . 1 1 66 66 GLU CG C 13 36.959 0.400 . 1 . . . . 66 GLU CG . 16277 1 812 . 1 1 66 66 GLU N N 15 128.381 0.400 . 1 . . . . 66 GLU N . 16277 1 813 . 1 1 67 67 SER H H 1 8.498 0.020 . 1 . . . . 67 SER H . 16277 1 814 . 1 1 67 67 SER HA H 1 4.012 0.020 . 1 . . . . 67 SER HA . 16277 1 815 . 1 1 67 67 SER HB2 H 1 3.702 0.020 . 2 . . . . 67 SER HB2 . 16277 1 816 . 1 1 67 67 SER HB3 H 1 3.418 0.020 . 2 . . . . 67 SER HB3 . 16277 1 817 . 1 1 67 67 SER C C 13 176.954 0.400 . 1 . . . . 67 SER C . 16277 1 818 . 1 1 67 67 SER CA C 13 62.561 0.400 . 1 . . . . 67 SER CA . 16277 1 819 . 1 1 67 67 SER CB C 13 70.725 0.400 . 1 . . . . 67 SER CB . 16277 1 820 . 1 1 67 67 SER N N 15 119.224 0.400 . 1 . . . . 67 SER N . 16277 1 821 . 1 1 68 68 LEU H H 1 8.257 0.020 . 1 . . . . 68 LEU H . 16277 1 822 . 1 1 68 68 LEU HA H 1 4.018 0.020 . 1 . . . . 68 LEU HA . 16277 1 823 . 1 1 68 68 LEU HB2 H 1 1.566 0.020 . 2 . . . . 68 LEU HB2 . 16277 1 824 . 1 1 68 68 LEU HB3 H 1 1.343 0.020 . 2 . . . . 68 LEU HB3 . 16277 1 825 . 1 1 68 68 LEU HD11 H 1 0.778 0.020 . 2 . . . . 68 LEU HD1 . 16277 1 826 . 1 1 68 68 LEU HD12 H 1 0.778 0.020 . 2 . . . . 68 LEU HD1 . 16277 1 827 . 1 1 68 68 LEU HD13 H 1 0.778 0.020 . 2 . . . . 68 LEU HD1 . 16277 1 828 . 1 1 68 68 LEU HD21 H 1 0.727 0.020 . 2 . . . . 68 LEU HD2 . 16277 1 829 . 1 1 68 68 LEU HD22 H 1 0.727 0.020 . 2 . . . . 68 LEU HD2 . 16277 1 830 . 1 1 68 68 LEU HD23 H 1 0.727 0.020 . 2 . . . . 68 LEU HD2 . 16277 1 831 . 1 1 68 68 LEU HG H 1 1.550 0.020 . 1 . . . . 68 LEU HG . 16277 1 832 . 1 1 68 68 LEU C C 13 175.859 0.400 . 1 . . . . 68 LEU C . 16277 1 833 . 1 1 68 68 LEU CA C 13 56.851 0.400 . 1 . . . . 68 LEU CA . 16277 1 834 . 1 1 68 68 LEU CB C 13 41.072 0.400 . 1 . . . . 68 LEU CB . 16277 1 835 . 1 1 68 68 LEU CD1 C 13 25.116 0.400 . 1 . . . . 68 LEU CD1 . 16277 1 836 . 1 1 68 68 LEU CD2 C 13 23.273 0.400 . 1 . . . . 68 LEU CD2 . 16277 1 837 . 1 1 68 68 LEU CG C 13 26.799 0.400 . 1 . . . . 68 LEU CG . 16277 1 838 . 1 1 68 68 LEU N N 15 122.731 0.400 . 1 . . . . 68 LEU N . 16277 1 839 . 1 1 69 69 ILE H H 1 7.631 0.020 . 1 . . . . 69 ILE H . 16277 1 840 . 1 1 69 69 ILE HA H 1 3.969 0.020 . 1 . . . . 69 ILE HA . 16277 1 841 . 1 1 69 69 ILE HB H 1 1.612 0.020 . 1 . . . . 69 ILE HB . 16277 1 842 . 1 1 69 69 ILE HD11 H 1 0.638 0.020 . 1 . . . . 69 ILE HD1 . 16277 1 843 . 1 1 69 69 ILE HD12 H 1 0.638 0.020 . 1 . . . . 69 ILE HD1 . 16277 1 844 . 1 1 69 69 ILE HD13 H 1 0.638 0.020 . 1 . . . . 69 ILE HD1 . 16277 1 845 . 1 1 69 69 ILE HG12 H 1 1.221 0.020 . 2 . . . . 69 ILE HG12 . 16277 1 846 . 1 1 69 69 ILE HG13 H 1 0.975 0.020 . 2 . . . . 69 ILE HG13 . 16277 1 847 . 1 1 69 69 ILE HG21 H 1 0.713 0.020 . 1 . . . . 69 ILE HG2 . 16277 1 848 . 1 1 69 69 ILE HG22 H 1 0.713 0.020 . 1 . . . . 69 ILE HG2 . 16277 1 849 . 1 1 69 69 ILE HG23 H 1 0.713 0.020 . 1 . . . . 69 ILE HG2 . 16277 1 850 . 1 1 69 69 ILE C C 13 176.444 0.400 . 1 . . . . 69 ILE C . 16277 1 851 . 1 1 69 69 ILE CA C 13 61.703 0.400 . 1 . . . . 69 ILE CA . 16277 1 852 . 1 1 69 69 ILE CB C 13 38.926 0.400 . 1 . . . . 69 ILE CB . 16277 1 853 . 1 1 69 69 ILE CD1 C 13 12.675 0.400 . 1 . . . . 69 ILE CD1 . 16277 1 854 . 1 1 69 69 ILE CG1 C 13 27.477 0.400 . 1 . . . . 69 ILE CG1 . 16277 1 855 . 1 1 69 69 ILE CG2 C 13 17.738 0.400 . 1 . . . . 69 ILE CG2 . 16277 1 856 . 1 1 69 69 ILE N N 15 114.638 0.400 . 1 . . . . 69 ILE N . 16277 1 857 . 1 1 70 70 THR H H 1 8.155 0.020 . 1 . . . . 70 THR H . 16277 1 858 . 1 1 70 70 THR HA H 1 4.258 0.020 . 1 . . . . 70 THR HA . 16277 1 859 . 1 1 70 70 THR HB H 1 4.319 0.020 . 1 . . . . 70 THR HB . 16277 1 860 . 1 1 70 70 THR HG21 H 1 1.031 0.020 . 1 . . . . 70 THR HG2 . 16277 1 861 . 1 1 70 70 THR HG22 H 1 1.031 0.020 . 1 . . . . 70 THR HG2 . 16277 1 862 . 1 1 70 70 THR HG23 H 1 1.031 0.020 . 1 . . . . 70 THR HG2 . 16277 1 863 . 1 1 70 70 THR C C 13 176.334 0.400 . 1 . . . . 70 THR C . 16277 1 864 . 1 1 70 70 THR CA C 13 61.160 0.400 . 1 . . . . 70 THR CA . 16277 1 865 . 1 1 70 70 THR CB C 13 70.754 0.400 . 1 . . . . 70 THR CB . 16277 1 866 . 1 1 70 70 THR CG2 C 13 21.008 0.400 . 1 . . . . 70 THR CG2 . 16277 1 867 . 1 1 70 70 THR N N 15 106.618 0.400 . 1 . . . . 70 THR N . 16277 1 868 . 1 1 71 71 GLY H H 1 7.612 0.020 . 1 . . . . 71 GLY H . 16277 1 869 . 1 1 71 71 GLY HA2 H 1 4.061 0.020 . 2 . . . . 71 GLY HA2 . 16277 1 870 . 1 1 71 71 GLY HA3 H 1 3.667 0.020 . 2 . . . . 71 GLY HA3 . 16277 1 871 . 1 1 71 71 GLY C C 13 173.612 0.400 . 1 . . . . 71 GLY C . 16277 1 872 . 1 1 71 71 GLY CA C 13 44.982 0.400 . 1 . . . . 71 GLY CA . 16277 1 873 . 1 1 71 71 GLY N N 15 109.820 0.400 . 1 . . . . 71 GLY N . 16277 1 874 . 1 1 72 72 GLU H H 1 7.497 0.020 . 1 . . . . 72 GLU H . 16277 1 875 . 1 1 72 72 GLU HA H 1 4.044 0.020 . 1 . . . . 72 GLU HA . 16277 1 876 . 1 1 72 72 GLU HB2 H 1 1.776 0.020 . 2 . . . . 72 GLU HB2 . 16277 1 877 . 1 1 72 72 GLU HB3 H 1 1.673 0.020 . 2 . . . . 72 GLU HB3 . 16277 1 878 . 1 1 72 72 GLU HG2 H 1 2.204 0.020 . 2 . . . . 72 GLU HG2 . 16277 1 879 . 1 1 72 72 GLU HG3 H 1 2.143 0.020 . 2 . . . . 72 GLU HG3 . 16277 1 880 . 1 1 72 72 GLU C C 13 175.598 0.400 . 1 . . . . 72 GLU C . 16277 1 881 . 1 1 72 72 GLU CA C 13 55.960 0.400 . 1 . . . . 72 GLU CA . 16277 1 882 . 1 1 72 72 GLU CB C 13 28.875 0.400 . 1 . . . . 72 GLU CB . 16277 1 883 . 1 1 72 72 GLU CG C 13 35.008 0.400 . 1 . . . . 72 GLU CG . 16277 1 884 . 1 1 72 72 GLU N N 15 122.359 0.400 . 1 . . . . 72 GLU N . 16277 1 885 . 1 1 73 73 ALA H H 1 8.375 0.020 . 1 . . . . 73 ALA H . 16277 1 886 . 1 1 73 73 ALA HA H 1 3.925 0.020 . 1 . . . . 73 ALA HA . 16277 1 887 . 1 1 73 73 ALA HB1 H 1 1.301 0.020 . 1 . . . . 73 ALA HB . 16277 1 888 . 1 1 73 73 ALA HB2 H 1 1.301 0.020 . 1 . . . . 73 ALA HB . 16277 1 889 . 1 1 73 73 ALA HB3 H 1 1.301 0.020 . 1 . . . . 73 ALA HB . 16277 1 890 . 1 1 73 73 ALA C C 13 178.767 0.400 . 1 . . . . 73 ALA C . 16277 1 891 . 1 1 73 73 ALA CA C 13 54.054 0.400 . 1 . . . . 73 ALA CA . 16277 1 892 . 1 1 73 73 ALA CB C 13 19.277 0.400 . 1 . . . . 73 ALA CB . 16277 1 893 . 1 1 73 73 ALA N N 15 128.862 0.400 . 1 . . . . 73 ALA N . 16277 1 894 . 1 1 74 74 MET H H 1 8.150 0.020 . 1 . . . . 74 MET H . 16277 1 895 . 1 1 74 74 MET HA H 1 4.730 0.020 . 1 . . . . 74 MET HA . 16277 1 896 . 1 1 74 74 MET HB2 H 1 2.613 0.020 . 2 . . . . 74 MET HB2 . 16277 1 897 . 1 1 74 74 MET HB3 H 1 2.464 0.020 . 2 . . . . 74 MET HB3 . 16277 1 898 . 1 1 74 74 MET HG2 H 1 1.932 0.020 . 2 . . . . 74 MET HG2 . 16277 1 899 . 1 1 74 74 MET HG3 H 1 1.932 0.020 . 2 . . . . 74 MET HG3 . 16277 1 900 . 1 1 74 74 MET C C 13 174.357 0.400 . 1 . . . . 74 MET C . 16277 1 901 . 1 1 74 74 MET CA C 13 52.596 0.400 . 1 . . . . 74 MET CA . 16277 1 902 . 1 1 74 74 MET CB C 13 31.844 0.400 . 1 . . . . 74 MET CB . 16277 1 903 . 1 1 74 74 MET CG C 13 31.296 0.400 . 1 . . . . 74 MET CG . 16277 1 904 . 1 1 74 74 MET N N 15 117.777 0.400 . 1 . . . . 74 MET N . 16277 1 905 . 1 1 75 75 PRO HA H 1 4.515 0.020 . 1 . . . . 75 PRO HA . 16277 1 906 . 1 1 75 75 PRO HB2 H 1 1.907 0.020 . 2 . . . . 75 PRO HB2 . 16277 1 907 . 1 1 75 75 PRO HB3 H 1 1.907 0.020 . 2 . . . . 75 PRO HB3 . 16277 1 908 . 1 1 75 75 PRO HD2 H 1 3.838 0.020 . 2 . . . . 75 PRO HD2 . 16277 1 909 . 1 1 75 75 PRO HD3 H 1 3.551 0.020 . 2 . . . . 75 PRO HD3 . 16277 1 910 . 1 1 75 75 PRO HG2 H 1 1.909 0.020 . 2 . . . . 75 PRO HG2 . 16277 1 911 . 1 1 75 75 PRO HG3 H 1 1.909 0.020 . 2 . . . . 75 PRO HG3 . 16277 1 912 . 1 1 75 75 PRO C C 13 175.108 0.400 . 1 . . . . 75 PRO C . 16277 1 913 . 1 1 75 75 PRO CA C 13 62.402 0.400 . 1 . . . . 75 PRO CA . 16277 1 914 . 1 1 75 75 PRO CB C 13 32.100 0.400 . 1 . . . . 75 PRO CB . 16277 1 915 . 1 1 75 75 PRO CD C 13 50.276 0.400 . 1 . . . . 75 PRO CD . 16277 1 916 . 1 1 75 75 PRO CG C 13 27.363 0.400 . 1 . . . . 75 PRO CG . 16277 1 917 . 1 1 76 76 VAL H H 1 9.128 0.020 . 1 . . . . 76 VAL H . 16277 1 918 . 1 1 76 76 VAL HA H 1 4.120 0.020 . 1 . . . . 76 VAL HA . 16277 1 919 . 1 1 76 76 VAL HB H 1 1.815 0.020 . 1 . . . . 76 VAL HB . 16277 1 920 . 1 1 76 76 VAL HG11 H 1 0.843 0.020 . 2 . . . . 76 VAL HG1 . 16277 1 921 . 1 1 76 76 VAL HG12 H 1 0.843 0.020 . 2 . . . . 76 VAL HG1 . 16277 1 922 . 1 1 76 76 VAL HG13 H 1 0.843 0.020 . 2 . . . . 76 VAL HG1 . 16277 1 923 . 1 1 76 76 VAL HG21 H 1 0.885 0.020 . 2 . . . . 76 VAL HG2 . 16277 1 924 . 1 1 76 76 VAL HG22 H 1 0.885 0.020 . 2 . . . . 76 VAL HG2 . 16277 1 925 . 1 1 76 76 VAL HG23 H 1 0.885 0.020 . 2 . . . . 76 VAL HG2 . 16277 1 926 . 1 1 76 76 VAL C C 13 175.672 0.400 . 1 . . . . 76 VAL C . 16277 1 927 . 1 1 76 76 VAL CA C 13 60.836 0.400 . 1 . . . . 76 VAL CA . 16277 1 928 . 1 1 76 76 VAL CB C 13 34.430 0.400 . 1 . . . . 76 VAL CB . 16277 1 929 . 1 1 76 76 VAL CG1 C 13 21.448 0.400 . 1 . . . . 76 VAL CG1 . 16277 1 930 . 1 1 76 76 VAL CG2 C 13 20.149 0.400 . 1 . . . . 76 VAL CG2 . 16277 1 931 . 1 1 76 76 VAL N N 15 121.714 0.400 . 1 . . . . 76 VAL N . 16277 1 932 . 1 1 77 77 ALA H H 1 8.660 0.020 . 1 . . . . 77 ALA H . 16277 1 933 . 1 1 77 77 ALA HA H 1 4.814 0.020 . 1 . . . . 77 ALA HA . 16277 1 934 . 1 1 77 77 ALA HB1 H 1 1.296 0.020 . 1 . . . . 77 ALA HB . 16277 1 935 . 1 1 77 77 ALA HB2 H 1 1.296 0.020 . 1 . . . . 77 ALA HB . 16277 1 936 . 1 1 77 77 ALA HB3 H 1 1.296 0.020 . 1 . . . . 77 ALA HB . 16277 1 937 . 1 1 77 77 ALA C C 13 177.408 0.400 . 1 . . . . 77 ALA C . 16277 1 938 . 1 1 77 77 ALA CA C 13 52.901 0.400 . 1 . . . . 77 ALA CA . 16277 1 939 . 1 1 77 77 ALA CB C 13 19.017 0.400 . 1 . . . . 77 ALA CB . 16277 1 940 . 1 1 77 77 ALA N N 15 129.769 0.400 . 1 . . . . 77 ALA N . 16277 1 941 . 1 1 78 78 LYS H H 1 8.847 0.020 . 1 . . . . 78 LYS H . 16277 1 942 . 1 1 78 78 LYS HA H 1 4.670 0.020 . 1 . . . . 78 LYS HA . 16277 1 943 . 1 1 78 78 LYS HB2 H 1 1.691 0.020 . 2 . . . . 78 LYS HB2 . 16277 1 944 . 1 1 78 78 LYS HB3 H 1 1.284 0.020 . 2 . . . . 78 LYS HB3 . 16277 1 945 . 1 1 78 78 LYS HD2 H 1 1.637 0.020 . 2 . . . . 78 LYS HD2 . 16277 1 946 . 1 1 78 78 LYS HD3 H 1 1.637 0.020 . 2 . . . . 78 LYS HD3 . 16277 1 947 . 1 1 78 78 LYS HE2 H 1 2.689 0.020 . 2 . . . . 78 LYS HE2 . 16277 1 948 . 1 1 78 78 LYS HE3 H 1 2.689 0.020 . 2 . . . . 78 LYS HE3 . 16277 1 949 . 1 1 78 78 LYS HG2 H 1 0.992 0.020 . 2 . . . . 78 LYS HG2 . 16277 1 950 . 1 1 78 78 LYS HG3 H 1 1.258 0.020 . 2 . . . . 78 LYS HG3 . 16277 1 951 . 1 1 78 78 LYS C C 13 174.251 0.400 . 1 . . . . 78 LYS C . 16277 1 952 . 1 1 78 78 LYS CA C 13 52.564 0.400 . 1 . . . . 78 LYS CA . 16277 1 953 . 1 1 78 78 LYS CB C 13 34.500 0.400 . 1 . . . . 78 LYS CB . 16277 1 954 . 1 1 78 78 LYS CD C 13 28.678 0.400 . 1 . . . . 78 LYS CD . 16277 1 955 . 1 1 78 78 LYS CE C 13 41.329 0.400 . 1 . . . . 78 LYS CE . 16277 1 956 . 1 1 78 78 LYS CG C 13 25.513 0.400 . 1 . . . . 78 LYS CG . 16277 1 957 . 1 1 78 78 LYS N N 15 120.310 0.400 . 1 . . . . 78 LYS N . 16277 1 958 . 1 1 79 79 LYS H H 1 8.362 0.020 . 1 . . . . 79 LYS H . 16277 1 959 . 1 1 79 79 LYS HA H 1 4.996 0.020 . 1 . . . . 79 LYS HA . 16277 1 960 . 1 1 79 79 LYS HB2 H 1 1.667 0.020 . 2 . . . . 79 LYS HB2 . 16277 1 961 . 1 1 79 79 LYS HB3 H 1 1.667 0.020 . 2 . . . . 79 LYS HB3 . 16277 1 962 . 1 1 79 79 LYS HD2 H 1 1.536 0.020 . 2 . . . . 79 LYS HD2 . 16277 1 963 . 1 1 79 79 LYS HD3 H 1 1.536 0.020 . 2 . . . . 79 LYS HD3 . 16277 1 964 . 1 1 79 79 LYS HE2 H 1 2.839 0.020 . 2 . . . . 79 LYS HE2 . 16277 1 965 . 1 1 79 79 LYS HE3 H 1 2.839 0.020 . 2 . . . . 79 LYS HE3 . 16277 1 966 . 1 1 79 79 LYS HG2 H 1 1.165 0.020 . 2 . . . . 79 LYS HG2 . 16277 1 967 . 1 1 79 79 LYS HG3 H 1 1.029 0.020 . 2 . . . . 79 LYS HG3 . 16277 1 968 . 1 1 79 79 LYS C C 13 172.165 0.400 . 1 . . . . 79 LYS C . 16277 1 969 . 1 1 79 79 LYS CA C 13 53.334 0.400 . 1 . . . . 79 LYS CA . 16277 1 970 . 1 1 79 79 LYS CB C 13 32.701 0.400 . 1 . . . . 79 LYS CB . 16277 1 971 . 1 1 79 79 LYS CD C 13 29.134 0.400 . 1 . . . . 79 LYS CD . 16277 1 972 . 1 1 79 79 LYS CE C 13 41.790 0.400 . 1 . . . . 79 LYS CE . 16277 1 973 . 1 1 79 79 LYS CG C 13 22.286 0.400 . 1 . . . . 79 LYS CG . 16277 1 974 . 1 1 79 79 LYS N N 15 121.408 0.400 . 1 . . . . 79 LYS N . 16277 1 975 . 1 1 80 80 PRO HA H 1 3.683 0.020 . 1 . . . . 80 PRO HA . 16277 1 976 . 1 1 80 80 PRO HB2 H 1 2.159 0.020 . 2 . . . . 80 PRO HB2 . 16277 1 977 . 1 1 80 80 PRO HB3 H 1 2.159 0.020 . 2 . . . . 80 PRO HB3 . 16277 1 978 . 1 1 80 80 PRO HD2 H 1 4.130 0.020 . 2 . . . . 80 PRO HD2 . 16277 1 979 . 1 1 80 80 PRO HD3 H 1 4.130 0.020 . 2 . . . . 80 PRO HD3 . 16277 1 980 . 1 1 80 80 PRO HG2 H 1 1.858 0.020 . 2 . . . . 80 PRO HG2 . 16277 1 981 . 1 1 80 80 PRO HG3 H 1 1.598 0.020 . 2 . . . . 80 PRO HG3 . 16277 1 982 . 1 1 80 80 PRO C C 13 176.773 0.400 . 1 . . . . 80 PRO C . 16277 1 983 . 1 1 80 80 PRO CA C 13 64.530 0.400 . 1 . . . . 80 PRO CA . 16277 1 984 . 1 1 80 80 PRO CB C 13 30.511 0.400 . 1 . . . . 80 PRO CB . 16277 1 985 . 1 1 80 80 PRO CD C 13 55.868 0.400 . 1 . . . . 80 PRO CD . 16277 1 986 . 1 1 80 80 PRO CG C 13 30.946 0.400 . 1 . . . . 80 PRO CG . 16277 1 987 . 1 1 81 81 GLY H H 1 9.008 0.020 . 1 . . . . 81 GLY H . 16277 1 988 . 1 1 81 81 GLY HA2 H 1 4.478 0.020 . 2 . . . . 81 GLY HA2 . 16277 1 989 . 1 1 81 81 GLY HA3 H 1 3.441 0.020 . 2 . . . . 81 GLY HA3 . 16277 1 990 . 1 1 81 81 GLY C C 13 175.142 0.400 . 1 . . . . 81 GLY C . 16277 1 991 . 1 1 81 81 GLY CA C 13 44.641 0.400 . 1 . . . . 81 GLY CA . 16277 1 992 . 1 1 81 81 GLY N N 15 114.048 0.400 . 1 . . . . 81 GLY N . 16277 1 993 . 1 1 82 82 SER H H 1 8.810 0.020 . 1 . . . . 82 SER H . 16277 1 994 . 1 1 82 82 SER HA H 1 4.487 0.020 . 1 . . . . 82 SER HA . 16277 1 995 . 1 1 82 82 SER HB2 H 1 4.016 0.020 . 2 . . . . 82 SER HB2 . 16277 1 996 . 1 1 82 82 SER HB3 H 1 3.666 0.020 . 2 . . . . 82 SER HB3 . 16277 1 997 . 1 1 82 82 SER C C 13 172.748 0.400 . 1 . . . . 82 SER C . 16277 1 998 . 1 1 82 82 SER CA C 13 59.950 0.400 . 1 . . . . 82 SER CA . 16277 1 999 . 1 1 82 82 SER CB C 13 64.604 0.400 . 1 . . . . 82 SER CB . 16277 1 1000 . 1 1 82 82 SER N N 15 118.040 0.400 . 1 . . . . 82 SER N . 16277 1 1001 . 1 1 83 83 THR H H 1 8.806 0.020 . 1 . . . . 83 THR H . 16277 1 1002 . 1 1 83 83 THR HA H 1 4.924 0.020 . 1 . . . . 83 THR HA . 16277 1 1003 . 1 1 83 83 THR HB H 1 4.105 0.020 . 1 . . . . 83 THR HB . 16277 1 1004 . 1 1 83 83 THR HG21 H 1 1.021 0.020 . 1 . . . . 83 THR HG2 . 16277 1 1005 . 1 1 83 83 THR HG22 H 1 1.021 0.020 . 1 . . . . 83 THR HG2 . 16277 1 1006 . 1 1 83 83 THR HG23 H 1 1.021 0.020 . 1 . . . . 83 THR HG2 . 16277 1 1007 . 1 1 83 83 THR C C 13 173.811 0.400 . 1 . . . . 83 THR C . 16277 1 1008 . 1 1 83 83 THR CA C 13 61.147 0.400 . 1 . . . . 83 THR CA . 16277 1 1009 . 1 1 83 83 THR CB C 13 69.511 0.400 . 1 . . . . 83 THR CB . 16277 1 1010 . 1 1 83 83 THR CG2 C 13 21.549 0.400 . 1 . . . . 83 THR CG2 . 16277 1 1011 . 1 1 83 83 THR N N 15 116.759 0.400 . 1 . . . . 83 THR N . 16277 1 1012 . 1 1 84 84 VAL H H 1 8.601 0.020 . 1 . . . . 84 VAL H . 16277 1 1013 . 1 1 84 84 VAL HA H 1 4.439 0.020 . 1 . . . . 84 VAL HA . 16277 1 1014 . 1 1 84 84 VAL HB H 1 0.584 0.020 . 1 . . . . 84 VAL HB . 16277 1 1015 . 1 1 84 84 VAL HG11 H 1 0.075 0.020 . 2 . . . . 84 VAL HG1 . 16277 1 1016 . 1 1 84 84 VAL HG12 H 1 0.075 0.020 . 2 . . . . 84 VAL HG1 . 16277 1 1017 . 1 1 84 84 VAL HG13 H 1 0.075 0.020 . 2 . . . . 84 VAL HG1 . 16277 1 1018 . 1 1 84 84 VAL HG21 H 1 0.242 0.020 . 2 . . . . 84 VAL HG2 . 16277 1 1019 . 1 1 84 84 VAL HG22 H 1 0.242 0.020 . 2 . . . . 84 VAL HG2 . 16277 1 1020 . 1 1 84 84 VAL HG23 H 1 0.242 0.020 . 2 . . . . 84 VAL HG2 . 16277 1 1021 . 1 1 84 84 VAL C C 13 175.099 0.400 . 1 . . . . 84 VAL C . 16277 1 1022 . 1 1 84 84 VAL CA C 13 57.970 0.400 . 1 . . . . 84 VAL CA . 16277 1 1023 . 1 1 84 84 VAL CB C 13 33.961 0.400 . 1 . . . . 84 VAL CB . 16277 1 1024 . 1 1 84 84 VAL CG1 C 13 21.201 0.400 . 1 . . . . 84 VAL CG1 . 16277 1 1025 . 1 1 84 84 VAL CG2 C 13 18.437 0.400 . 1 . . . . 84 VAL CG2 . 16277 1 1026 . 1 1 84 84 VAL N N 15 115.418 0.400 . 1 . . . . 84 VAL N . 16277 1 1027 . 1 1 85 85 ILE H H 1 8.882 0.020 . 1 . . . . 85 ILE H . 16277 1 1028 . 1 1 85 85 ILE HA H 1 4.637 0.020 . 1 . . . . 85 ILE HA . 16277 1 1029 . 1 1 85 85 ILE HB H 1 1.633 0.020 . 1 . . . . 85 ILE HB . 16277 1 1030 . 1 1 85 85 ILE HD11 H 1 0.613 0.020 . 1 . . . . 85 ILE HD1 . 16277 1 1031 . 1 1 85 85 ILE HD12 H 1 0.613 0.020 . 1 . . . . 85 ILE HD1 . 16277 1 1032 . 1 1 85 85 ILE HD13 H 1 0.613 0.020 . 1 . . . . 85 ILE HD1 . 16277 1 1033 . 1 1 85 85 ILE HG12 H 1 1.241 0.020 . 2 . . . . 85 ILE HG12 . 16277 1 1034 . 1 1 85 85 ILE HG13 H 1 1.241 0.020 . 2 . . . . 85 ILE HG13 . 16277 1 1035 . 1 1 85 85 ILE HG21 H 1 0.729 0.020 . 1 . . . . 85 ILE HG2 . 16277 1 1036 . 1 1 85 85 ILE HG22 H 1 0.729 0.020 . 1 . . . . 85 ILE HG2 . 16277 1 1037 . 1 1 85 85 ILE HG23 H 1 0.729 0.020 . 1 . . . . 85 ILE HG2 . 16277 1 1038 . 1 1 85 85 ILE C C 13 175.790 0.400 . 1 . . . . 85 ILE C . 16277 1 1039 . 1 1 85 85 ILE CA C 13 58.119 0.400 . 1 . . . . 85 ILE CA . 16277 1 1040 . 1 1 85 85 ILE CB C 13 40.444 0.400 . 1 . . . . 85 ILE CB . 16277 1 1041 . 1 1 85 85 ILE CD1 C 13 13.576 0.400 . 1 . . . . 85 ILE CD1 . 16277 1 1042 . 1 1 85 85 ILE CG1 C 13 26.613 0.400 . 1 . . . . 85 ILE CG1 . 16277 1 1043 . 1 1 85 85 ILE CG2 C 13 17.432 0.400 . 1 . . . . 85 ILE CG2 . 16277 1 1044 . 1 1 85 85 ILE N N 15 118.120 0.400 . 1 . . . . 85 ILE N . 16277 1 1045 . 1 1 86 86 ALA H H 1 9.698 0.020 . 1 . . . . 86 ALA H . 16277 1 1046 . 1 1 86 86 ALA HA H 1 3.734 0.020 . 1 . . . . 86 ALA HA . 16277 1 1047 . 1 1 86 86 ALA HB1 H 1 1.096 0.020 . 1 . . . . 86 ALA HB . 16277 1 1048 . 1 1 86 86 ALA HB2 H 1 1.096 0.020 . 1 . . . . 86 ALA HB . 16277 1 1049 . 1 1 86 86 ALA HB3 H 1 1.096 0.020 . 1 . . . . 86 ALA HB . 16277 1 1050 . 1 1 86 86 ALA C C 13 176.661 0.400 . 1 . . . . 86 ALA C . 16277 1 1051 . 1 1 86 86 ALA CA C 13 52.856 0.400 . 1 . . . . 86 ALA CA . 16277 1 1052 . 1 1 86 86 ALA CB C 13 16.817 0.400 . 1 . . . . 86 ALA CB . 16277 1 1053 . 1 1 86 86 ALA N N 15 131.335 0.400 . 1 . . . . 86 ALA N . 16277 1 1054 . 1 1 87 87 GLY H H 1 8.669 0.020 . 1 . . . . 87 GLY H . 16277 1 1055 . 1 1 87 87 GLY HA2 H 1 4.301 0.020 . 2 . . . . 87 GLY HA2 . 16277 1 1056 . 1 1 87 87 GLY HA3 H 1 3.500 0.020 . 2 . . . . 87 GLY HA3 . 16277 1 1057 . 1 1 87 87 GLY C C 13 173.335 0.400 . 1 . . . . 87 GLY C . 16277 1 1058 . 1 1 87 87 GLY CA C 13 44.833 0.400 . 1 . . . . 87 GLY CA . 16277 1 1059 . 1 1 87 87 GLY N N 15 106.594 0.400 . 1 . . . . 87 GLY N . 16277 1 1060 . 1 1 88 88 SER H H 1 7.750 0.020 . 1 . . . . 88 SER H . 16277 1 1061 . 1 1 88 88 SER HA H 1 4.477 0.020 . 1 . . . . 88 SER HA . 16277 1 1062 . 1 1 88 88 SER HB2 H 1 3.673 0.020 . 2 . . . . 88 SER HB2 . 16277 1 1063 . 1 1 88 88 SER HB3 H 1 3.673 0.020 . 2 . . . . 88 SER HB3 . 16277 1 1064 . 1 1 88 88 SER C C 13 172.684 0.400 . 1 . . . . 88 SER C . 16277 1 1065 . 1 1 88 88 SER CA C 13 57.811 0.400 . 1 . . . . 88 SER CA . 16277 1 1066 . 1 1 88 88 SER CB C 13 64.540 0.400 . 1 . . . . 88 SER CB . 16277 1 1067 . 1 1 88 88 SER N N 15 111.527 0.400 . 1 . . . . 88 SER N . 16277 1 1068 . 1 1 89 89 ILE H H 1 7.940 0.020 . 1 . . . . 89 ILE H . 16277 1 1069 . 1 1 89 89 ILE HA H 1 4.497 0.020 . 1 . . . . 89 ILE HA . 16277 1 1070 . 1 1 89 89 ILE HB H 1 1.828 0.020 . 1 . . . . 89 ILE HB . 16277 1 1071 . 1 1 89 89 ILE HD11 H 1 0.737 0.020 . 1 . . . . 89 ILE HD1 . 16277 1 1072 . 1 1 89 89 ILE HD12 H 1 0.737 0.020 . 1 . . . . 89 ILE HD1 . 16277 1 1073 . 1 1 89 89 ILE HD13 H 1 0.737 0.020 . 1 . . . . 89 ILE HD1 . 16277 1 1074 . 1 1 89 89 ILE HG12 H 1 1.478 0.020 . 2 . . . . 89 ILE HG12 . 16277 1 1075 . 1 1 89 89 ILE HG13 H 1 1.478 0.020 . 2 . . . . 89 ILE HG13 . 16277 1 1076 . 1 1 89 89 ILE HG21 H 1 0.714 0.020 . 1 . . . . 89 ILE HG2 . 16277 1 1077 . 1 1 89 89 ILE HG22 H 1 0.714 0.020 . 1 . . . . 89 ILE HG2 . 16277 1 1078 . 1 1 89 89 ILE HG23 H 1 0.714 0.020 . 1 . . . . 89 ILE HG2 . 16277 1 1079 . 1 1 89 89 ILE C C 13 175.575 0.400 . 1 . . . . 89 ILE C . 16277 1 1080 . 1 1 89 89 ILE CA C 13 60.538 0.400 . 1 . . . . 89 ILE CA . 16277 1 1081 . 1 1 89 89 ILE CB C 13 40.065 0.400 . 1 . . . . 89 ILE CB . 16277 1 1082 . 1 1 89 89 ILE CD1 C 13 12.144 0.400 . 1 . . . . 89 ILE CD1 . 16277 1 1083 . 1 1 89 89 ILE CG1 C 13 27.123 0.400 . 1 . . . . 89 ILE CG1 . 16277 1 1084 . 1 1 89 89 ILE CG2 C 13 16.959 0.400 . 1 . . . . 89 ILE CG2 . 16277 1 1085 . 1 1 89 89 ILE N N 15 117.726 0.400 . 1 . . . . 89 ILE N . 16277 1 1086 . 1 1 90 90 ASN H H 1 9.112 0.020 . 1 . . . . 90 ASN H . 16277 1 1087 . 1 1 90 90 ASN HA H 1 4.788 0.020 . 1 . . . . 90 ASN HA . 16277 1 1088 . 1 1 90 90 ASN HB2 H 1 2.651 0.020 . 2 . . . . 90 ASN HB2 . 16277 1 1089 . 1 1 90 90 ASN HB3 H 1 2.174 0.020 . 2 . . . . 90 ASN HB3 . 16277 1 1090 . 1 1 90 90 ASN HD21 H 1 5.792 0.020 . 2 . . . . 90 ASN HD21 . 16277 1 1091 . 1 1 90 90 ASN HD22 H 1 7.694 0.020 . 2 . . . . 90 ASN HD22 . 16277 1 1092 . 1 1 90 90 ASN C C 13 175.532 0.400 . 1 . . . . 90 ASN C . 16277 1 1093 . 1 1 90 90 ASN CA C 13 53.431 0.400 . 1 . . . . 90 ASN CA . 16277 1 1094 . 1 1 90 90 ASN CB C 13 39.853 0.400 . 1 . . . . 90 ASN CB . 16277 1 1095 . 1 1 90 90 ASN N N 15 127.855 0.400 . 1 . . . . 90 ASN N . 16277 1 1096 . 1 1 90 90 ASN ND2 N 15 112.909 0.400 . 1 . . . . 90 ASN ND2 . 16277 1 1097 . 1 1 91 91 GLN H H 1 8.791 0.020 . 1 . . . . 91 GLN H . 16277 1 1098 . 1 1 91 91 GLN HA H 1 4.518 0.020 . 1 . . . . 91 GLN HA . 16277 1 1099 . 1 1 91 91 GLN HB2 H 1 2.190 0.020 . 2 . . . . 91 GLN HB2 . 16277 1 1100 . 1 1 91 91 GLN HB3 H 1 2.190 0.020 . 2 . . . . 91 GLN HB3 . 16277 1 1101 . 1 1 91 91 GLN HE21 H 1 6.705 0.020 . 2 . . . . 91 GLN HE21 . 16277 1 1102 . 1 1 91 91 GLN HE22 H 1 6.923 0.020 . 2 . . . . 91 GLN HE22 . 16277 1 1103 . 1 1 91 91 GLN HG2 H 1 1.855 0.020 . 2 . . . . 91 GLN HG2 . 16277 1 1104 . 1 1 91 91 GLN HG3 H 1 1.855 0.020 . 2 . . . . 91 GLN HG3 . 16277 1 1105 . 1 1 91 91 GLN C C 13 176.897 0.400 . 1 . . . . 91 GLN C . 16277 1 1106 . 1 1 91 91 GLN CA C 13 57.222 0.400 . 1 . . . . 91 GLN CA . 16277 1 1107 . 1 1 91 91 GLN CB C 13 28.155 0.400 . 1 . . . . 91 GLN CB . 16277 1 1108 . 1 1 91 91 GLN CG C 13 33.748 0.400 . 1 . . . . 91 GLN CG . 16277 1 1109 . 1 1 91 91 GLN N N 15 123.216 0.400 . 1 . . . . 91 GLN N . 16277 1 1110 . 1 1 91 91 GLN NE2 N 15 111.168 0.400 . 1 . . . . 91 GLN NE2 . 16277 1 1111 . 1 1 92 92 ASN H H 1 7.932 0.020 . 1 . . . . 92 ASN H . 16277 1 1112 . 1 1 92 92 ASN HA H 1 4.732 0.020 . 1 . . . . 92 ASN HA . 16277 1 1113 . 1 1 92 92 ASN HB2 H 1 2.795 0.020 . 2 . . . . 92 ASN HB2 . 16277 1 1114 . 1 1 92 92 ASN HB3 H 1 2.701 0.020 . 2 . . . . 92 ASN HB3 . 16277 1 1115 . 1 1 92 92 ASN HD21 H 1 7.542 0.020 . 2 . . . . 92 ASN HD21 . 16277 1 1116 . 1 1 92 92 ASN HD22 H 1 6.836 0.020 . 2 . . . . 92 ASN HD22 . 16277 1 1117 . 1 1 92 92 ASN C C 13 174.631 0.400 . 1 . . . . 92 ASN C . 16277 1 1118 . 1 1 92 92 ASN CA C 13 55.582 0.400 . 1 . . . . 92 ASN CA . 16277 1 1119 . 1 1 92 92 ASN CB C 13 39.544 0.400 . 1 . . . . 92 ASN CB . 16277 1 1120 . 1 1 92 92 ASN N N 15 112.789 0.400 . 1 . . . . 92 ASN N . 16277 1 1121 . 1 1 92 92 ASN ND2 N 15 112.737 0.400 . 1 . . . . 92 ASN ND2 . 16277 1 1122 . 1 1 93 93 GLY H H 1 9.009 0.020 . 1 . . . . 93 GLY H . 16277 1 1123 . 1 1 93 93 GLY HA2 H 1 4.544 0.020 . 2 . . . . 93 GLY HA2 . 16277 1 1124 . 1 1 93 93 GLY HA3 H 1 3.966 0.020 . 2 . . . . 93 GLY HA3 . 16277 1 1125 . 1 1 93 93 GLY C C 13 171.845 0.400 . 1 . . . . 93 GLY C . 16277 1 1126 . 1 1 93 93 GLY CA C 13 44.014 0.400 . 1 . . . . 93 GLY CA . 16277 1 1127 . 1 1 93 93 GLY N N 15 111.463 0.400 . 1 . . . . 93 GLY N . 16277 1 1128 . 1 1 94 94 SER H H 1 8.441 0.020 . 1 . . . . 94 SER H . 16277 1 1129 . 1 1 94 94 SER HA H 1 4.573 0.020 . 1 . . . . 94 SER HA . 16277 1 1130 . 1 1 94 94 SER HB2 H 1 3.614 0.020 . 2 . . . . 94 SER HB2 . 16277 1 1131 . 1 1 94 94 SER HB3 H 1 3.614 0.020 . 2 . . . . 94 SER HB3 . 16277 1 1132 . 1 1 94 94 SER C C 13 173.984 0.400 . 1 . . . . 94 SER C . 16277 1 1133 . 1 1 94 94 SER CA C 13 58.831 0.400 . 1 . . . . 94 SER CA . 16277 1 1134 . 1 1 94 94 SER CB C 13 63.558 0.400 . 1 . . . . 94 SER CB . 16277 1 1135 . 1 1 94 94 SER N N 15 117.447 0.400 . 1 . . . . 94 SER N . 16277 1 1136 . 1 1 95 95 LEU H H 1 8.459 0.020 . 1 . . . . 95 LEU H . 16277 1 1137 . 1 1 95 95 LEU HA H 1 5.086 0.020 . 1 . . . . 95 LEU HA . 16277 1 1138 . 1 1 95 95 LEU HB2 H 1 1.468 0.020 . 2 . . . . 95 LEU HB2 . 16277 1 1139 . 1 1 95 95 LEU HB3 H 1 1.169 0.020 . 2 . . . . 95 LEU HB3 . 16277 1 1140 . 1 1 95 95 LEU HD11 H 1 0.681 0.020 . 2 . . . . 95 LEU HD1 . 16277 1 1141 . 1 1 95 95 LEU HD12 H 1 0.681 0.020 . 2 . . . . 95 LEU HD1 . 16277 1 1142 . 1 1 95 95 LEU HD13 H 1 0.681 0.020 . 2 . . . . 95 LEU HD1 . 16277 1 1143 . 1 1 95 95 LEU HD21 H 1 0.498 0.020 . 2 . . . . 95 LEU HD2 . 16277 1 1144 . 1 1 95 95 LEU HD22 H 1 0.498 0.020 . 2 . . . . 95 LEU HD2 . 16277 1 1145 . 1 1 95 95 LEU HD23 H 1 0.498 0.020 . 2 . . . . 95 LEU HD2 . 16277 1 1146 . 1 1 95 95 LEU HG H 1 1.554 0.020 . 1 . . . . 95 LEU HG . 16277 1 1147 . 1 1 95 95 LEU C C 13 175.921 0.400 . 1 . . . . 95 LEU C . 16277 1 1148 . 1 1 95 95 LEU CA C 13 53.066 0.400 . 1 . . . . 95 LEU CA . 16277 1 1149 . 1 1 95 95 LEU CB C 13 47.225 0.400 . 1 . . . . 95 LEU CB . 16277 1 1150 . 1 1 95 95 LEU CD1 C 13 26.690 0.400 . 1 . . . . 95 LEU CD1 . 16277 1 1151 . 1 1 95 95 LEU CD2 C 13 22.838 0.400 . 1 . . . . 95 LEU CD2 . 16277 1 1152 . 1 1 95 95 LEU CG C 13 25.506 0.400 . 1 . . . . 95 LEU CG . 16277 1 1153 . 1 1 95 95 LEU N N 15 123.046 0.400 . 1 . . . . 95 LEU N . 16277 1 1154 . 1 1 96 96 LEU H H 1 8.294 0.020 . 1 . . . . 96 LEU H . 16277 1 1155 . 1 1 96 96 LEU HA H 1 5.261 0.020 . 1 . . . . 96 LEU HA . 16277 1 1156 . 1 1 96 96 LEU HB2 H 1 1.624 0.020 . 2 . . . . 96 LEU HB2 . 16277 1 1157 . 1 1 96 96 LEU HB3 H 1 0.923 0.020 . 2 . . . . 96 LEU HB3 . 16277 1 1158 . 1 1 96 96 LEU HD11 H 1 0.778 0.020 . 2 . . . . 96 LEU HD1 . 16277 1 1159 . 1 1 96 96 LEU HD12 H 1 0.778 0.020 . 2 . . . . 96 LEU HD1 . 16277 1 1160 . 1 1 96 96 LEU HD13 H 1 0.778 0.020 . 2 . . . . 96 LEU HD1 . 16277 1 1161 . 1 1 96 96 LEU HD21 H 1 0.704 0.020 . 2 . . . . 96 LEU HD2 . 16277 1 1162 . 1 1 96 96 LEU HD22 H 1 0.704 0.020 . 2 . . . . 96 LEU HD2 . 16277 1 1163 . 1 1 96 96 LEU HD23 H 1 0.704 0.020 . 2 . . . . 96 LEU HD2 . 16277 1 1164 . 1 1 96 96 LEU HG H 1 0.685 0.020 . 1 . . . . 96 LEU HG . 16277 1 1165 . 1 1 96 96 LEU C C 13 176.761 0.400 . 1 . . . . 96 LEU C . 16277 1 1166 . 1 1 96 96 LEU CA C 13 53.169 0.400 . 1 . . . . 96 LEU CA . 16277 1 1167 . 1 1 96 96 LEU CB C 13 43.188 0.400 . 1 . . . . 96 LEU CB . 16277 1 1168 . 1 1 96 96 LEU CD1 C 13 25.350 0.400 . 1 . . . . 96 LEU CD1 . 16277 1 1169 . 1 1 96 96 LEU CD2 C 13 23.153 0.400 . 1 . . . . 96 LEU CD2 . 16277 1 1170 . 1 1 96 96 LEU CG C 13 25.807 0.400 . 1 . . . . 96 LEU CG . 16277 1 1171 . 1 1 96 96 LEU N N 15 118.592 0.400 . 1 . . . . 96 LEU N . 16277 1 1172 . 1 1 97 97 ILE H H 1 9.506 0.020 . 1 . . . . 97 ILE H . 16277 1 1173 . 1 1 97 97 ILE HA H 1 4.919 0.020 . 1 . . . . 97 ILE HA . 16277 1 1174 . 1 1 97 97 ILE HB H 1 1.582 0.020 . 1 . . . . 97 ILE HB . 16277 1 1175 . 1 1 97 97 ILE HD11 H 1 0.611 0.020 . 1 . . . . 97 ILE HD1 . 16277 1 1176 . 1 1 97 97 ILE HD12 H 1 0.611 0.020 . 1 . . . . 97 ILE HD1 . 16277 1 1177 . 1 1 97 97 ILE HD13 H 1 0.611 0.020 . 1 . . . . 97 ILE HD1 . 16277 1 1178 . 1 1 97 97 ILE HG12 H 1 1.223 0.020 . 2 . . . . 97 ILE HG12 . 16277 1 1179 . 1 1 97 97 ILE HG13 H 1 1.223 0.020 . 2 . . . . 97 ILE HG13 . 16277 1 1180 . 1 1 97 97 ILE HG21 H 1 0.595 0.020 . 1 . . . . 97 ILE HG2 . 16277 1 1181 . 1 1 97 97 ILE HG22 H 1 0.595 0.020 . 1 . . . . 97 ILE HG2 . 16277 1 1182 . 1 1 97 97 ILE HG23 H 1 0.595 0.020 . 1 . . . . 97 ILE HG2 . 16277 1 1183 . 1 1 97 97 ILE C C 13 172.882 0.400 . 1 . . . . 97 ILE C . 16277 1 1184 . 1 1 97 97 ILE CA C 13 57.263 0.400 . 1 . . . . 97 ILE CA . 16277 1 1185 . 1 1 97 97 ILE CB C 13 40.460 0.400 . 1 . . . . 97 ILE CB . 16277 1 1186 . 1 1 97 97 ILE CD1 C 13 14.371 0.400 . 1 . . . . 97 ILE CD1 . 16277 1 1187 . 1 1 97 97 ILE CG1 C 13 26.732 0.400 . 1 . . . . 97 ILE CG1 . 16277 1 1188 . 1 1 97 97 ILE CG2 C 13 17.739 0.400 . 1 . . . . 97 ILE CG2 . 16277 1 1189 . 1 1 97 97 ILE N N 15 120.709 0.400 . 1 . . . . 97 ILE N . 16277 1 1190 . 1 1 98 98 CYS H H 1 9.289 0.020 . 1 . . . . 98 CYS H . 16277 1 1191 . 1 1 98 98 CYS HA H 1 4.908 0.020 . 1 . . . . 98 CYS HA . 16277 1 1192 . 1 1 98 98 CYS HB2 H 1 2.577 0.020 . 2 . . . . 98 CYS HB2 . 16277 1 1193 . 1 1 98 98 CYS HB3 H 1 2.486 0.020 . 2 . . . . 98 CYS HB3 . 16277 1 1194 . 1 1 98 98 CYS C C 13 174.549 0.400 . 1 . . . . 98 CYS C . 16277 1 1195 . 1 1 98 98 CYS CA C 13 56.556 0.400 . 1 . . . . 98 CYS CA . 16277 1 1196 . 1 1 98 98 CYS CB C 13 27.438 0.400 . 1 . . . . 98 CYS CB . 16277 1 1197 . 1 1 98 98 CYS N N 15 123.954 0.400 . 1 . . . . 98 CYS N . 16277 1 1198 . 1 1 99 99 ALA H H 1 9.195 0.020 . 1 . . . . 99 ALA H . 16277 1 1199 . 1 1 99 99 ALA HA H 1 4.187 0.020 . 1 . . . . 99 ALA HA . 16277 1 1200 . 1 1 99 99 ALA HB1 H 1 1.199 0.020 . 1 . . . . 99 ALA HB . 16277 1 1201 . 1 1 99 99 ALA HB2 H 1 1.199 0.020 . 1 . . . . 99 ALA HB . 16277 1 1202 . 1 1 99 99 ALA HB3 H 1 1.199 0.020 . 1 . . . . 99 ALA HB . 16277 1 1203 . 1 1 99 99 ALA CA C 13 52.913 0.400 . 1 . . . . 99 ALA CA . 16277 1 1204 . 1 1 99 99 ALA CB C 13 18.928 0.400 . 1 . . . . 99 ALA CB . 16277 1 1205 . 1 1 99 99 ALA N N 15 131.321 0.400 . 1 . . . . 99 ALA N . 16277 1 1206 . 1 1 100 100 THR H H 1 9.537 0.020 . 1 . . . . 100 THR H . 16277 1 1207 . 1 1 100 100 THR HA H 1 4.240 0.020 . 1 . . . . 100 THR HA . 16277 1 1208 . 1 1 100 100 THR HB H 1 4.287 0.020 . 1 . . . . 100 THR HB . 16277 1 1209 . 1 1 100 100 THR HG21 H 1 1.102 0.020 . 1 . . . . 100 THR HG2 . 16277 1 1210 . 1 1 100 100 THR HG22 H 1 1.102 0.020 . 1 . . . . 100 THR HG2 . 16277 1 1211 . 1 1 100 100 THR HG23 H 1 1.102 0.020 . 1 . . . . 100 THR HG2 . 16277 1 1212 . 1 1 100 100 THR C C 13 173.980 0.400 . 1 . . . . 100 THR C . 16277 1 1213 . 1 1 100 100 THR CA C 13 61.824 0.400 . 1 . . . . 100 THR CA . 16277 1 1214 . 1 1 100 100 THR CB C 13 69.213 0.400 . 1 . . . . 100 THR CB . 16277 1 1215 . 1 1 100 100 THR CG2 C 13 20.610 0.400 . 1 . . . . 100 THR CG2 . 16277 1 1216 . 1 1 100 100 THR N N 15 117.047 0.400 . 1 . . . . 100 THR N . 16277 1 1217 . 1 1 101 101 HIS H H 1 7.360 0.020 . 1 . . . . 101 HIS H . 16277 1 1218 . 1 1 101 101 HIS HA H 1 4.704 0.020 . 1 . . . . 101 HIS HA . 16277 1 1219 . 1 1 101 101 HIS HB2 H 1 2.615 0.020 . 2 . . . . 101 HIS HB2 . 16277 1 1220 . 1 1 101 101 HIS HB3 H 1 2.852 0.020 . 2 . . . . 101 HIS HB3 . 16277 1 1221 . 1 1 101 101 HIS HD2 H 1 6.930 0.020 . 1 . . . . 101 HIS HD2 . 16277 1 1222 . 1 1 101 101 HIS C C 13 173.029 0.400 . 1 . . . . 101 HIS C . 16277 1 1223 . 1 1 101 101 HIS CA C 13 55.637 0.400 . 1 . . . . 101 HIS CA . 16277 1 1224 . 1 1 101 101 HIS CB C 13 32.202 0.400 . 1 . . . . 101 HIS CB . 16277 1 1225 . 1 1 101 101 HIS N N 15 120.023 0.400 . 1 . . . . 101 HIS N . 16277 1 1226 . 1 1 102 102 VAL H H 1 8.730 0.020 . 1 . . . . 102 VAL H . 16277 1 1227 . 1 1 102 102 VAL HA H 1 4.467 0.020 . 1 . . . . 102 VAL HA . 16277 1 1228 . 1 1 102 102 VAL HB H 1 2.063 0.020 . 1 . . . . 102 VAL HB . 16277 1 1229 . 1 1 102 102 VAL HG11 H 1 0.576 0.020 . 2 . . . . 102 VAL HG1 . 16277 1 1230 . 1 1 102 102 VAL HG12 H 1 0.576 0.020 . 2 . . . . 102 VAL HG1 . 16277 1 1231 . 1 1 102 102 VAL HG13 H 1 0.576 0.020 . 2 . . . . 102 VAL HG1 . 16277 1 1232 . 1 1 102 102 VAL HG21 H 1 0.676 0.020 . 2 . . . . 102 VAL HG2 . 16277 1 1233 . 1 1 102 102 VAL HG22 H 1 0.676 0.020 . 2 . . . . 102 VAL HG2 . 16277 1 1234 . 1 1 102 102 VAL HG23 H 1 0.676 0.020 . 2 . . . . 102 VAL HG2 . 16277 1 1235 . 1 1 102 102 VAL C C 13 176.048 0.400 . 1 . . . . 102 VAL C . 16277 1 1236 . 1 1 102 102 VAL CA C 13 59.045 0.400 . 1 . . . . 102 VAL CA . 16277 1 1237 . 1 1 102 102 VAL CB C 13 34.447 0.400 . 1 . . . . 102 VAL CB . 16277 1 1238 . 1 1 102 102 VAL CG1 C 13 21.005 0.400 . 1 . . . . 102 VAL CG1 . 16277 1 1239 . 1 1 102 102 VAL CG2 C 13 18.477 0.400 . 1 . . . . 102 VAL CG2 . 16277 1 1240 . 1 1 102 102 VAL N N 15 116.792 0.400 . 1 . . . . 102 VAL N . 16277 1 1241 . 1 1 103 103 GLY H H 1 8.636 0.020 . 1 . . . . 103 GLY H . 16277 1 1242 . 1 1 103 103 GLY HA2 H 1 3.823 0.020 . 2 . . . . 103 GLY HA2 . 16277 1 1243 . 1 1 103 103 GLY HA3 H 1 3.664 0.020 . 2 . . . . 103 GLY HA3 . 16277 1 1244 . 1 1 103 103 GLY C C 13 175.674 0.400 . 1 . . . . 103 GLY C . 16277 1 1245 . 1 1 103 103 GLY CA C 13 46.634 0.400 . 1 . . . . 103 GLY CA . 16277 1 1246 . 1 1 103 103 GLY N N 15 111.647 0.400 . 1 . . . . 103 GLY N . 16277 1 1247 . 1 1 104 104 ALA H H 1 8.840 0.020 . 1 . . . . 104 ALA H . 16277 1 1248 . 1 1 104 104 ALA HA H 1 4.111 0.020 . 1 . . . . 104 ALA HA . 16277 1 1249 . 1 1 104 104 ALA HB1 H 1 1.326 0.020 . 1 . . . . 104 ALA HB . 16277 1 1250 . 1 1 104 104 ALA HB2 H 1 1.326 0.020 . 1 . . . . 104 ALA HB . 16277 1 1251 . 1 1 104 104 ALA HB3 H 1 1.326 0.020 . 1 . . . . 104 ALA HB . 16277 1 1252 . 1 1 104 104 ALA C C 13 176.696 0.400 . 1 . . . . 104 ALA C . 16277 1 1253 . 1 1 104 104 ALA CA C 13 52.966 0.400 . 1 . . . . 104 ALA CA . 16277 1 1254 . 1 1 104 104 ALA CB C 13 18.544 0.400 . 1 . . . . 104 ALA CB . 16277 1 1255 . 1 1 104 104 ALA N N 15 129.081 0.400 . 1 . . . . 104 ALA N . 16277 1 1256 . 1 1 105 105 ASP H H 1 7.780 0.020 . 1 . . . . 105 ASP H . 16277 1 1257 . 1 1 105 105 ASP HA H 1 4.602 0.020 . 1 . . . . 105 ASP HA . 16277 1 1258 . 1 1 105 105 ASP HB2 H 1 2.753 0.020 . 2 . . . . 105 ASP HB2 . 16277 1 1259 . 1 1 105 105 ASP HB3 H 1 2.852 0.020 . 2 . . . . 105 ASP HB3 . 16277 1 1260 . 1 1 105 105 ASP C C 13 178.705 0.400 . 1 . . . . 105 ASP C . 16277 1 1261 . 1 1 105 105 ASP CA C 13 54.057 0.400 . 1 . . . . 105 ASP CA . 16277 1 1262 . 1 1 105 105 ASP CB C 13 41.722 0.400 . 1 . . . . 105 ASP CB . 16277 1 1263 . 1 1 105 105 ASP N N 15 114.682 0.400 . 1 . . . . 105 ASP N . 16277 1 1264 . 1 1 106 106 THR H H 1 7.337 0.020 . 1 . . . . 106 THR H . 16277 1 1265 . 1 1 106 106 THR HA H 1 4.088 0.020 . 1 . . . . 106 THR HA . 16277 1 1266 . 1 1 106 106 THR HB H 1 4.515 0.020 . 1 . . . . 106 THR HB . 16277 1 1267 . 1 1 106 106 THR HG21 H 1 1.172 0.020 . 1 . . . . 106 THR HG2 . 16277 1 1268 . 1 1 106 106 THR HG22 H 1 1.172 0.020 . 1 . . . . 106 THR HG2 . 16277 1 1269 . 1 1 106 106 THR HG23 H 1 1.172 0.020 . 1 . . . . 106 THR HG2 . 16277 1 1270 . 1 1 106 106 THR C C 13 171.430 0.400 . 1 . . . . 106 THR C . 16277 1 1271 . 1 1 106 106 THR CA C 13 61.344 0.400 . 1 . . . . 106 THR CA . 16277 1 1272 . 1 1 106 106 THR CB C 13 70.588 0.400 . 1 . . . . 106 THR CB . 16277 1 1273 . 1 1 106 106 THR CG2 C 13 20.894 0.400 . 1 . . . . 106 THR CG2 . 16277 1 1274 . 1 1 106 106 THR N N 15 109.685 0.400 . 1 . . . . 106 THR N . 16277 1 1275 . 1 1 107 107 THR HA H 1 4.904 0.020 . 1 . . . . 107 THR HA . 16277 1 1276 . 1 1 107 107 THR HB H 1 4.046 0.020 . 1 . . . . 107 THR HB . 16277 1 1277 . 1 1 107 107 THR HG21 H 1 1.081 0.020 . 1 . . . . 107 THR HG2 . 16277 1 1278 . 1 1 107 107 THR HG22 H 1 1.081 0.020 . 1 . . . . 107 THR HG2 . 16277 1 1279 . 1 1 107 107 THR HG23 H 1 1.081 0.020 . 1 . . . . 107 THR HG2 . 16277 1 1280 . 1 1 107 107 THR C C 13 172.945 0.400 . 1 . . . . 107 THR C . 16277 1 1281 . 1 1 107 107 THR CA C 13 61.399 0.400 . 1 . . . . 107 THR CA . 16277 1 1282 . 1 1 107 107 THR CB C 13 69.890 0.400 . 1 . . . . 107 THR CB . 16277 1 1283 . 1 1 107 107 THR CG2 C 13 21.421 0.400 . 1 . . . . 107 THR CG2 . 16277 1 1284 . 1 1 108 108 LEU H H 1 7.870 0.020 . 1 . . . . 108 LEU H . 16277 1 1285 . 1 1 108 108 LEU HA H 1 3.874 0.020 . 1 . . . . 108 LEU HA . 16277 1 1286 . 1 1 108 108 LEU HB2 H 1 1.466 0.020 . 2 . . . . 108 LEU HB2 . 16277 1 1287 . 1 1 108 108 LEU HB3 H 1 1.466 0.020 . 2 . . . . 108 LEU HB3 . 16277 1 1288 . 1 1 108 108 LEU HD11 H 1 0.777 0.020 . 2 . . . . 108 LEU HD1 . 16277 1 1289 . 1 1 108 108 LEU HD12 H 1 0.777 0.020 . 2 . . . . 108 LEU HD1 . 16277 1 1290 . 1 1 108 108 LEU HD13 H 1 0.777 0.020 . 2 . . . . 108 LEU HD1 . 16277 1 1291 . 1 1 108 108 LEU HD21 H 1 0.657 0.020 . 2 . . . . 108 LEU HD2 . 16277 1 1292 . 1 1 108 108 LEU HD22 H 1 0.657 0.020 . 2 . . . . 108 LEU HD2 . 16277 1 1293 . 1 1 108 108 LEU HD23 H 1 0.657 0.020 . 2 . . . . 108 LEU HD2 . 16277 1 1294 . 1 1 108 108 LEU HG H 1 1.345 0.020 . 1 . . . . 108 LEU HG . 16277 1 1295 . 1 1 108 108 LEU C C 13 177.345 0.400 . 1 . . . . 108 LEU C . 16277 1 1296 . 1 1 108 108 LEU CA C 13 57.377 0.400 . 1 . . . . 108 LEU CA . 16277 1 1297 . 1 1 108 108 LEU CB C 13 41.511 0.400 . 1 . . . . 108 LEU CB . 16277 1 1298 . 1 1 108 108 LEU CD1 C 13 23.287 0.400 . 1 . . . . 108 LEU CD1 . 16277 1 1299 . 1 1 108 108 LEU CD2 C 13 25.144 0.400 . 1 . . . . 108 LEU CD2 . 16277 1 1300 . 1 1 108 108 LEU CG C 13 26.805 0.400 . 1 . . . . 108 LEU CG . 16277 1 1301 . 1 1 108 108 LEU N N 15 127.852 0.400 . 1 . . . . 108 LEU N . 16277 1 1302 . 1 1 109 109 SER H H 1 7.844 0.020 . 1 . . . . 109 SER H . 16277 1 1303 . 1 1 109 109 SER HA H 1 3.851 0.020 . 1 . . . . 109 SER HA . 16277 1 1304 . 1 1 109 109 SER HB2 H 1 3.650 0.020 . 2 . . . . 109 SER HB2 . 16277 1 1305 . 1 1 109 109 SER HB3 H 1 3.650 0.020 . 2 . . . . 109 SER HB3 . 16277 1 1306 . 1 1 109 109 SER C C 13 176.579 0.400 . 1 . . . . 109 SER C . 16277 1 1307 . 1 1 109 109 SER CA C 13 61.472 0.400 . 1 . . . . 109 SER CA . 16277 1 1308 . 1 1 109 109 SER CB C 13 63.341 0.400 . 1 . . . . 109 SER CB . 16277 1 1309 . 1 1 109 109 SER N N 15 114.520 0.400 . 1 . . . . 109 SER N . 16277 1 1310 . 1 1 110 110 GLN H H 1 7.942 0.020 . 1 . . . . 110 GLN H . 16277 1 1311 . 1 1 110 110 GLN HA H 1 3.923 0.020 . 1 . . . . 110 GLN HA . 16277 1 1312 . 1 1 110 110 GLN HB2 H 1 1.992 0.020 . 2 . . . . 110 GLN HB2 . 16277 1 1313 . 1 1 110 110 GLN HB3 H 1 2.066 0.020 . 2 . . . . 110 GLN HB3 . 16277 1 1314 . 1 1 110 110 GLN HE21 H 1 6.957 0.020 . 2 . . . . 110 GLN HE21 . 16277 1 1315 . 1 1 110 110 GLN HE22 H 1 6.631 0.020 . 2 . . . . 110 GLN HE22 . 16277 1 1316 . 1 1 110 110 GLN HG2 H 1 2.350 0.020 . 2 . . . . 110 GLN HG2 . 16277 1 1317 . 1 1 110 110 GLN HG3 H 1 2.234 0.020 . 2 . . . . 110 GLN HG3 . 16277 1 1318 . 1 1 110 110 GLN C C 13 178.120 0.400 . 1 . . . . 110 GLN C . 16277 1 1319 . 1 1 110 110 GLN CA C 13 58.305 0.400 . 1 . . . . 110 GLN CA . 16277 1 1320 . 1 1 110 110 GLN CB C 13 28.410 0.400 . 1 . . . . 110 GLN CB . 16277 1 1321 . 1 1 110 110 GLN CG C 13 33.567 0.400 . 1 . . . . 110 GLN CG . 16277 1 1322 . 1 1 110 110 GLN N N 15 120.288 0.400 . 1 . . . . 110 GLN N . 16277 1 1323 . 1 1 110 110 GLN NE2 N 15 112.770 0.400 . 1 . . . . 110 GLN NE2 . 16277 1 1324 . 1 1 111 111 ILE H H 1 7.983 0.020 . 1 . . . . 111 ILE H . 16277 1 1325 . 1 1 111 111 ILE HA H 1 3.629 0.020 . 1 . . . . 111 ILE HA . 16277 1 1326 . 1 1 111 111 ILE HB H 1 1.857 0.020 . 1 . . . . 111 ILE HB . 16277 1 1327 . 1 1 111 111 ILE HD11 H 1 0.682 0.020 . 1 . . . . 111 ILE HD1 . 16277 1 1328 . 1 1 111 111 ILE HD12 H 1 0.682 0.020 . 1 . . . . 111 ILE HD1 . 16277 1 1329 . 1 1 111 111 ILE HD13 H 1 0.682 0.020 . 1 . . . . 111 ILE HD1 . 16277 1 1330 . 1 1 111 111 ILE HG12 H 1 1.640 0.020 . 2 . . . . 111 ILE HG12 . 16277 1 1331 . 1 1 111 111 ILE HG13 H 1 0.950 0.020 . 2 . . . . 111 ILE HG13 . 16277 1 1332 . 1 1 111 111 ILE HG21 H 1 0.759 0.020 . 1 . . . . 111 ILE HG2 . 16277 1 1333 . 1 1 111 111 ILE HG22 H 1 0.759 0.020 . 1 . . . . 111 ILE HG2 . 16277 1 1334 . 1 1 111 111 ILE HG23 H 1 0.759 0.020 . 1 . . . . 111 ILE HG2 . 16277 1 1335 . 1 1 111 111 ILE C C 13 177.373 0.400 . 1 . . . . 111 ILE C . 16277 1 1336 . 1 1 111 111 ILE CA C 13 64.793 0.400 . 1 . . . . 111 ILE CA . 16277 1 1337 . 1 1 111 111 ILE CB C 13 37.758 0.400 . 1 . . . . 111 ILE CB . 16277 1 1338 . 1 1 111 111 ILE CD1 C 13 13.927 0.400 . 1 . . . . 111 ILE CD1 . 16277 1 1339 . 1 1 111 111 ILE CG1 C 13 28.673 0.400 . 1 . . . . 111 ILE CG1 . 16277 1 1340 . 1 1 111 111 ILE CG2 C 13 17.128 0.400 . 1 . . . . 111 ILE CG2 . 16277 1 1341 . 1 1 111 111 ILE N N 15 121.471 0.400 . 1 . . . . 111 ILE N . 16277 1 1342 . 1 1 112 112 VAL H H 1 8.121 0.020 . 1 . . . . 112 VAL H . 16277 1 1343 . 1 1 112 112 VAL HA H 1 3.339 0.020 . 1 . . . . 112 VAL HA . 16277 1 1344 . 1 1 112 112 VAL HB H 1 1.977 0.020 . 1 . . . . 112 VAL HB . 16277 1 1345 . 1 1 112 112 VAL HG11 H 1 0.818 0.020 . 2 . . . . 112 VAL HG1 . 16277 1 1346 . 1 1 112 112 VAL HG12 H 1 0.818 0.020 . 2 . . . . 112 VAL HG1 . 16277 1 1347 . 1 1 112 112 VAL HG13 H 1 0.818 0.020 . 2 . . . . 112 VAL HG1 . 16277 1 1348 . 1 1 112 112 VAL HG21 H 1 0.748 0.020 . 2 . . . . 112 VAL HG2 . 16277 1 1349 . 1 1 112 112 VAL HG22 H 1 0.748 0.020 . 2 . . . . 112 VAL HG2 . 16277 1 1350 . 1 1 112 112 VAL HG23 H 1 0.748 0.020 . 2 . . . . 112 VAL HG2 . 16277 1 1351 . 1 1 112 112 VAL C C 13 176.827 0.400 . 1 . . . . 112 VAL C . 16277 1 1352 . 1 1 112 112 VAL CA C 13 66.202 0.400 . 1 . . . . 112 VAL CA . 16277 1 1353 . 1 1 112 112 VAL CB C 13 31.545 0.400 . 1 . . . . 112 VAL CB . 16277 1 1354 . 1 1 112 112 VAL CG1 C 13 22.875 0.400 . 1 . . . . 112 VAL CG1 . 16277 1 1355 . 1 1 112 112 VAL CG2 C 13 21.084 0.400 . 1 . . . . 112 VAL CG2 . 16277 1 1356 . 1 1 112 112 VAL N N 15 119.944 0.400 . 1 . . . . 112 VAL N . 16277 1 1357 . 1 1 113 113 LYS H H 1 7.533 0.020 . 1 . . . . 113 LYS H . 16277 1 1358 . 1 1 113 113 LYS HA H 1 3.997 0.020 . 1 . . . . 113 LYS HA . 16277 1 1359 . 1 1 113 113 LYS HB2 H 1 1.741 0.020 . 2 . . . . 113 LYS HB2 . 16277 1 1360 . 1 1 113 113 LYS HB3 H 1 1.741 0.020 . 2 . . . . 113 LYS HB3 . 16277 1 1361 . 1 1 113 113 LYS HD2 H 1 1.611 0.020 . 2 . . . . 113 LYS HD2 . 16277 1 1362 . 1 1 113 113 LYS HD3 H 1 1.611 0.020 . 2 . . . . 113 LYS HD3 . 16277 1 1363 . 1 1 113 113 LYS HE2 H 1 2.861 0.020 . 2 . . . . 113 LYS HE2 . 16277 1 1364 . 1 1 113 113 LYS HE3 H 1 2.861 0.020 . 2 . . . . 113 LYS HE3 . 16277 1 1365 . 1 1 113 113 LYS HG2 H 1 1.366 0.020 . 2 . . . . 113 LYS HG2 . 16277 1 1366 . 1 1 113 113 LYS HG3 H 1 1.296 0.020 . 2 . . . . 113 LYS HG3 . 16277 1 1367 . 1 1 113 113 LYS C C 13 177.798 0.400 . 1 . . . . 113 LYS C . 16277 1 1368 . 1 1 113 113 LYS CA C 13 58.345 0.400 . 1 . . . . 113 LYS CA . 16277 1 1369 . 1 1 113 113 LYS CB C 13 32.125 0.400 . 1 . . . . 113 LYS CB . 16277 1 1370 . 1 1 113 113 LYS CD C 13 28.679 0.400 . 1 . . . . 113 LYS CD . 16277 1 1371 . 1 1 113 113 LYS CE C 13 41.740 0.400 . 1 . . . . 113 LYS CE . 16277 1 1372 . 1 1 113 113 LYS CG C 13 24.409 0.400 . 1 . . . . 113 LYS CG . 16277 1 1373 . 1 1 113 113 LYS N N 15 118.715 0.400 . 1 . . . . 113 LYS N . 16277 1 1374 . 1 1 114 114 LEU H H 1 7.499 0.020 . 1 . . . . 114 LEU H . 16277 1 1375 . 1 1 114 114 LEU HA H 1 3.993 0.020 . 1 . . . . 114 LEU HA . 16277 1 1376 . 1 1 114 114 LEU HB2 H 1 1.748 0.020 . 2 . . . . 114 LEU HB2 . 16277 1 1377 . 1 1 114 114 LEU HB3 H 1 1.469 0.020 . 2 . . . . 114 LEU HB3 . 16277 1 1378 . 1 1 114 114 LEU HD11 H 1 0.775 0.020 . 2 . . . . 114 LEU HD1 . 16277 1 1379 . 1 1 114 114 LEU HD12 H 1 0.775 0.020 . 2 . . . . 114 LEU HD1 . 16277 1 1380 . 1 1 114 114 LEU HD13 H 1 0.775 0.020 . 2 . . . . 114 LEU HD1 . 16277 1 1381 . 1 1 114 114 LEU HD21 H 1 0.724 0.020 . 2 . . . . 114 LEU HD2 . 16277 1 1382 . 1 1 114 114 LEU HD22 H 1 0.724 0.020 . 2 . . . . 114 LEU HD2 . 16277 1 1383 . 1 1 114 114 LEU HD23 H 1 0.724 0.020 . 2 . . . . 114 LEU HD2 . 16277 1 1384 . 1 1 114 114 LEU HG H 1 1.640 0.020 . 1 . . . . 114 LEU HG . 16277 1 1385 . 1 1 114 114 LEU C C 13 179.225 0.400 . 1 . . . . 114 LEU C . 16277 1 1386 . 1 1 114 114 LEU CA C 13 57.040 0.400 . 1 . . . . 114 LEU CA . 16277 1 1387 . 1 1 114 114 LEU CB C 13 41.848 0.400 . 1 . . . . 114 LEU CB . 16277 1 1388 . 1 1 114 114 LEU CD1 C 13 24.961 0.400 . 1 . . . . 114 LEU CD1 . 16277 1 1389 . 1 1 114 114 LEU CD2 C 13 23.203 0.400 . 1 . . . . 114 LEU CD2 . 16277 1 1390 . 1 1 114 114 LEU CG C 13 26.569 0.400 . 1 . . . . 114 LEU CG . 16277 1 1391 . 1 1 114 114 LEU N N 15 119.141 0.400 . 1 . . . . 114 LEU N . 16277 1 1392 . 1 1 115 115 VAL H H 1 7.979 0.020 . 1 . . . . 115 VAL H . 16277 1 1393 . 1 1 115 115 VAL HA H 1 3.628 0.020 . 1 . . . . 115 VAL HA . 16277 1 1394 . 1 1 115 115 VAL HB H 1 1.976 0.020 . 1 . . . . 115 VAL HB . 16277 1 1395 . 1 1 115 115 VAL HG11 H 1 0.841 0.020 . 2 . . . . 115 VAL HG1 . 16277 1 1396 . 1 1 115 115 VAL HG12 H 1 0.841 0.020 . 2 . . . . 115 VAL HG1 . 16277 1 1397 . 1 1 115 115 VAL HG13 H 1 0.841 0.020 . 2 . . . . 115 VAL HG1 . 16277 1 1398 . 1 1 115 115 VAL HG21 H 1 0.841 0.020 . 2 . . . . 115 VAL HG2 . 16277 1 1399 . 1 1 115 115 VAL HG22 H 1 0.841 0.020 . 2 . . . . 115 VAL HG2 . 16277 1 1400 . 1 1 115 115 VAL HG23 H 1 0.841 0.020 . 2 . . . . 115 VAL HG2 . 16277 1 1401 . 1 1 115 115 VAL C C 13 177.953 0.400 . 1 . . . . 115 VAL C . 16277 1 1402 . 1 1 115 115 VAL CA C 13 65.071 0.400 . 1 . . . . 115 VAL CA . 16277 1 1403 . 1 1 115 115 VAL CB C 13 31.378 0.400 . 1 . . . . 115 VAL CB . 16277 1 1404 . 1 1 115 115 VAL CG1 C 13 22.086 0.400 . 1 . . . . 115 VAL CG1 . 16277 1 1405 . 1 1 115 115 VAL N N 15 119.813 0.400 . 1 . . . . 115 VAL N . 16277 1 1406 . 1 1 116 116 GLU H H 1 8.481 0.020 . 1 . . . . 116 GLU H . 16277 1 1407 . 1 1 116 116 GLU HA H 1 3.891 0.020 . 1 . . . . 116 GLU HA . 16277 1 1408 . 1 1 116 116 GLU HB2 H 1 1.931 0.020 . 2 . . . . 116 GLU HB2 . 16277 1 1409 . 1 1 116 116 GLU HB3 H 1 2.009 0.020 . 2 . . . . 116 GLU HB3 . 16277 1 1410 . 1 1 116 116 GLU HG2 H 1 2.270 0.020 . 2 . . . . 116 GLU HG2 . 16277 1 1411 . 1 1 116 116 GLU HG3 H 1 2.270 0.020 . 2 . . . . 116 GLU HG3 . 16277 1 1412 . 1 1 116 116 GLU C C 13 178.122 0.400 . 1 . . . . 116 GLU C . 16277 1 1413 . 1 1 116 116 GLU CA C 13 57.888 0.400 . 1 . . . . 116 GLU CA . 16277 1 1414 . 1 1 116 116 GLU CB C 13 29.693 0.400 . 1 . . . . 116 GLU CB . 16277 1 1415 . 1 1 116 116 GLU CG C 13 36.256 0.400 . 1 . . . . 116 GLU CG . 16277 1 1416 . 1 1 116 116 GLU N N 15 121.490 0.400 . 1 . . . . 116 GLU N . 16277 1 1417 . 1 1 117 117 GLU H H 1 7.914 0.020 . 1 . . . . 117 GLU H . 16277 1 1418 . 1 1 117 117 GLU HA H 1 4.057 0.020 . 1 . . . . 117 GLU HA . 16277 1 1419 . 1 1 117 117 GLU HB2 H 1 1.974 0.020 . 2 . . . . 117 GLU HB2 . 16277 1 1420 . 1 1 117 117 GLU HB3 H 1 1.925 0.020 . 2 . . . . 117 GLU HB3 . 16277 1 1421 . 1 1 117 117 GLU HG2 H 1 2.362 0.020 . 2 . . . . 117 GLU HG2 . 16277 1 1422 . 1 1 117 117 GLU HG3 H 1 2.190 0.020 . 2 . . . . 117 GLU HG3 . 16277 1 1423 . 1 1 117 117 GLU C C 13 176.181 0.400 . 1 . . . . 117 GLU C . 16277 1 1424 . 1 1 117 117 GLU CA C 13 56.928 0.400 . 1 . . . . 117 GLU CA . 16277 1 1425 . 1 1 117 117 GLU CB C 13 29.525 0.400 . 1 . . . . 117 GLU CB . 16277 1 1426 . 1 1 117 117 GLU CG C 13 36.269 0.400 . 1 . . . . 117 GLU CG . 16277 1 1427 . 1 1 117 117 GLU N N 15 117.961 0.400 . 1 . . . . 117 GLU N . 16277 1 1428 . 1 1 118 118 ALA H H 1 7.577 0.020 . 1 . . . . 118 ALA H . 16277 1 1429 . 1 1 118 118 ALA HA H 1 4.245 0.020 . 1 . . . . 118 ALA HA . 16277 1 1430 . 1 1 118 118 ALA HB1 H 1 1.341 0.020 . 1 . . . . 118 ALA HB . 16277 1 1431 . 1 1 118 118 ALA HB2 H 1 1.341 0.020 . 1 . . . . 118 ALA HB . 16277 1 1432 . 1 1 118 118 ALA HB3 H 1 1.341 0.020 . 1 . . . . 118 ALA HB . 16277 1 1433 . 1 1 118 118 ALA C C 13 176.570 0.400 . 1 . . . . 118 ALA C . 16277 1 1434 . 1 1 118 118 ALA CA C 13 52.127 0.400 . 1 . . . . 118 ALA CA . 16277 1 1435 . 1 1 118 118 ALA CB C 13 18.628 0.400 . 1 . . . . 118 ALA CB . 16277 1 1436 . 1 1 118 118 ALA N N 15 123.204 0.400 . 1 . . . . 118 ALA N . 16277 1 1437 . 1 1 119 119 GLN H H 1 7.522 0.020 . 1 . . . . 119 GLN H . 16277 1 1438 . 1 1 119 119 GLN HA H 1 3.938 0.020 . 1 . . . . 119 GLN HA . 16277 1 1439 . 1 1 119 119 GLN HB2 H 1 2.010 0.020 . 2 . . . . 119 GLN HB2 . 16277 1 1440 . 1 1 119 119 GLN HB3 H 1 1.841 0.020 . 2 . . . . 119 GLN HB3 . 16277 1 1441 . 1 1 119 119 GLN HE21 H 1 7.404 0.020 . 2 . . . . 119 GLN HE21 . 16277 1 1442 . 1 1 119 119 GLN HE22 H 1 6.669 0.020 . 2 . . . . 119 GLN HE22 . 16277 1 1443 . 1 1 119 119 GLN HG2 H 1 2.281 0.020 . 2 . . . . 119 GLN HG2 . 16277 1 1444 . 1 1 119 119 GLN HG3 H 1 2.281 0.020 . 2 . . . . 119 GLN HG3 . 16277 1 1445 . 1 1 119 119 GLN C C 13 180.560 0.400 . 1 . . . . 119 GLN C . 16277 1 1446 . 1 1 119 119 GLN CA C 13 57.337 0.400 . 1 . . . . 119 GLN CA . 16277 1 1447 . 1 1 119 119 GLN CB C 13 29.890 0.400 . 1 . . . . 119 GLN CB . 16277 1 1448 . 1 1 119 119 GLN CG C 13 34.190 0.400 . 1 . . . . 119 GLN CG . 16277 1 1449 . 1 1 119 119 GLN N N 15 123.313 0.400 . 1 . . . . 119 GLN N . 16277 1 1450 . 1 1 119 119 GLN NE2 N 15 112.634 0.400 . 1 . . . . 119 GLN NE2 . 16277 1 stop_ save_