data_18850 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18850 _Entry.Title ; Solution structure of the Haloferax volcanii HVO_2177 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-21 _Entry.Accession_date 2012-11-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details No _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 Yunfeng Li . . . 18850 2 Mark Maciejewski . W. . 18850 3 Jonathan Martin . . . 18850 4 Kai Jin . . . 18850 5 Yuhang Zhang . . . 18850 6 Min Lu . . . 18850 7 Julie Maupin-Furlow . A. . 18850 8 Bing Hao . . . 18850 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18850 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ubiquitin-like protein' . 18850 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18850 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 18850 '15N chemical shifts' 98 18850 '1H chemical shifts' 678 18850 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 . . 2014-02-17 2012-11-21 update BMRB 'update entry citation' 18850 1 . . 2013-08-05 2012-11-21 original author 'original release' 18850 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M19 'BMRB Entry Tracking System' 18850 PDB 4HRO . 18850 PDB 4HRS . 18850 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18850 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23821306 _Citation.Full_citation . _Citation.Title 'Crystal structure of the ubiquitin-like small archaeal modifier protein 2 from Haloferax volcanii.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 22 _Citation.Journal_issue 9 _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 1206 _Citation.Page_last 1217 _Citation.Year 2013 _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 Yunfeng Li . . . 18850 1 2 Mark Maciejewski . W. . 18850 1 3 Jonathan Martin . . . 18850 1 4 Kai Jin . . . 18850 1 5 Yuhang Zhang . . . 18850 1 6 Julie Maupin-Furlow . A. . 18850 1 7 Bing Hao . . . 18850 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18850 _Assembly.ID 1 _Assembly.Name 'Haloferax volcanii HVO_2177 protein' _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 'Haloferax volcanii HVO_2177 protein' 1 $Ubl_protein_HVO_2177 A . yes native no no . . . 18850 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ubl_protein_HVO_2177 _Entity.Sf_category entity _Entity.Sf_framecode Ubl_protein_HVO_2177 _Entity.Entry_ID 18850 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ubl_protein_HVO_2177 _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 ; GGGRDYKDDDDKGTMELELR FFATFREVVGQKSIYWRVDD DATVGDVLRSLEAEYDGLAG RLIEDGEVKPHVNVLKNGRE VVHLDGMATALDDGDAVSVF PPVAGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 1-14 represent a non-native affinity tag' _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11540.825 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB 8923994 . "HVO_2177 molybdopterin converting factor subunit 1" . . . . . . . . . . . . . . 18850 1 2 no PDB 2M19 . "Solution Structure Of The Haloferax Volcanii Hvo 2177 Protein" . . . . . 100.00 106 100.00 100.00 2.17e-67 . . . . 18850 1 3 no EMBL CQR48598 . "Sulfur carrier protein CysO [Haloferax sp. Arc-Hr]" . . . . . 86.79 92 97.83 97.83 1.86e-55 . . . . 18850 1 4 no GB ADE02783 . "molybdopterin converting factor subunit 1 [Haloferax volcanii DS2]" . . . . . 86.79 113 100.00 100.00 3.73e-57 . . . . 18850 1 5 no GB ELK45920 . "molybdopterin converting factor subunit 1 [Haloferax sp. BAB2207]" . . . . . 86.79 92 100.00 100.00 3.42e-57 . . . . 18850 1 6 no GB ELY33406 . "molybdopterin converting factor subunit 1 [Haloferax volcanii DS2]" . . . . . 86.79 92 100.00 100.00 3.42e-57 . . . . 18850 1 7 no GB ELZ55725 . "molybdopterin converting factor subunit 1 [Haloferax sp. ATCC BAA-646]" . . . . . 86.79 92 98.91 98.91 1.77e-56 . . . . 18850 1 8 no GB ELZ67244 . "molybdopterin converting factor subunit 1 [Haloferax sp. ATCC BAA-645]" . . . . . 86.79 92 98.91 98.91 1.77e-56 . . . . 18850 1 9 no REF WP_004042069 . "MULTISPECIES: molybdopterin synthase sulfur carrier subunit [Haloferax]" . . . . . 86.79 92 100.00 100.00 3.42e-57 . . . . 18850 1 10 no REF WP_006601267 . "MULTISPECIES: molybdopterin synthase sulfur carrier subunit [Haloferax]" . . . . . 86.79 92 98.91 98.91 1.77e-56 . . . . 18850 1 11 no SP D4GVB0 . "RecName: Full=Small archaeal modifier protein 3; Short=SAMP3; AltName: Full=Ubiquitin-like small archaeal modifier protein 3" . . . . . 86.79 92 100.00 100.00 3.42e-57 . . . . 18850 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 -13 GLY . 18850 1 2 -12 GLY . 18850 1 3 -11 GLY . 18850 1 4 -10 ARG . 18850 1 5 -9 ASP . 18850 1 6 -8 TYR . 18850 1 7 -7 LYS . 18850 1 8 -6 ASP . 18850 1 9 -5 ASP . 18850 1 10 -4 ASP . 18850 1 11 -3 ASP . 18850 1 12 -2 LYS . 18850 1 13 -1 GLY . 18850 1 14 0 THR . 18850 1 15 1 MET . 18850 1 16 2 GLU . 18850 1 17 3 LEU . 18850 1 18 4 GLU . 18850 1 19 5 LEU . 18850 1 20 6 ARG . 18850 1 21 7 PHE . 18850 1 22 8 PHE . 18850 1 23 9 ALA . 18850 1 24 10 THR . 18850 1 25 11 PHE . 18850 1 26 12 ARG . 18850 1 27 13 GLU . 18850 1 28 14 VAL . 18850 1 29 15 VAL . 18850 1 30 16 GLY . 18850 1 31 17 GLN . 18850 1 32 18 LYS . 18850 1 33 19 SER . 18850 1 34 20 ILE . 18850 1 35 21 TYR . 18850 1 36 22 TRP . 18850 1 37 23 ARG . 18850 1 38 24 VAL . 18850 1 39 25 ASP . 18850 1 40 26 ASP . 18850 1 41 27 ASP . 18850 1 42 28 ALA . 18850 1 43 29 THR . 18850 1 44 30 VAL . 18850 1 45 31 GLY . 18850 1 46 32 ASP . 18850 1 47 33 VAL . 18850 1 48 34 LEU . 18850 1 49 35 ARG . 18850 1 50 36 SER . 18850 1 51 37 LEU . 18850 1 52 38 GLU . 18850 1 53 39 ALA . 18850 1 54 40 GLU . 18850 1 55 41 TYR . 18850 1 56 42 ASP . 18850 1 57 43 GLY . 18850 1 58 44 LEU . 18850 1 59 45 ALA . 18850 1 60 46 GLY . 18850 1 61 47 ARG . 18850 1 62 48 LEU . 18850 1 63 49 ILE . 18850 1 64 50 GLU . 18850 1 65 51 ASP . 18850 1 66 52 GLY . 18850 1 67 53 GLU . 18850 1 68 54 VAL . 18850 1 69 55 LYS . 18850 1 70 56 PRO . 18850 1 71 57 HIS . 18850 1 72 58 VAL . 18850 1 73 59 ASN . 18850 1 74 60 VAL . 18850 1 75 61 LEU . 18850 1 76 62 LYS . 18850 1 77 63 ASN . 18850 1 78 64 GLY . 18850 1 79 65 ARG . 18850 1 80 66 GLU . 18850 1 81 67 VAL . 18850 1 82 68 VAL . 18850 1 83 69 HIS . 18850 1 84 70 LEU . 18850 1 85 71 ASP . 18850 1 86 72 GLY . 18850 1 87 73 MET . 18850 1 88 74 ALA . 18850 1 89 75 THR . 18850 1 90 76 ALA . 18850 1 91 77 LEU . 18850 1 92 78 ASP . 18850 1 93 79 ASP . 18850 1 94 80 GLY . 18850 1 95 81 ASP . 18850 1 96 82 ALA . 18850 1 97 83 VAL . 18850 1 98 84 SER . 18850 1 99 85 VAL . 18850 1 100 86 PHE . 18850 1 101 87 PRO . 18850 1 102 88 PRO . 18850 1 103 89 VAL . 18850 1 104 90 ALA . 18850 1 105 91 GLY . 18850 1 106 92 GLY . 18850 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 . GLY 1 1 18850 1 . GLY 2 2 18850 1 . GLY 3 3 18850 1 . ARG 4 4 18850 1 . ASP 5 5 18850 1 . TYR 6 6 18850 1 . LYS 7 7 18850 1 . ASP 8 8 18850 1 . ASP 9 9 18850 1 . ASP 10 10 18850 1 . ASP 11 11 18850 1 . LYS 12 12 18850 1 . GLY 13 13 18850 1 . THR 14 14 18850 1 . MET 15 15 18850 1 . GLU 16 16 18850 1 . LEU 17 17 18850 1 . GLU 18 18 18850 1 . LEU 19 19 18850 1 . ARG 20 20 18850 1 . PHE 21 21 18850 1 . PHE 22 22 18850 1 . ALA 23 23 18850 1 . THR 24 24 18850 1 . PHE 25 25 18850 1 . ARG 26 26 18850 1 . GLU 27 27 18850 1 . VAL 28 28 18850 1 . VAL 29 29 18850 1 . GLY 30 30 18850 1 . GLN 31 31 18850 1 . LYS 32 32 18850 1 . SER 33 33 18850 1 . ILE 34 34 18850 1 . TYR 35 35 18850 1 . TRP 36 36 18850 1 . ARG 37 37 18850 1 . VAL 38 38 18850 1 . ASP 39 39 18850 1 . ASP 40 40 18850 1 . ASP 41 41 18850 1 . ALA 42 42 18850 1 . THR 43 43 18850 1 . VAL 44 44 18850 1 . GLY 45 45 18850 1 . ASP 46 46 18850 1 . VAL 47 47 18850 1 . LEU 48 48 18850 1 . ARG 49 49 18850 1 . SER 50 50 18850 1 . LEU 51 51 18850 1 . GLU 52 52 18850 1 . ALA 53 53 18850 1 . GLU 54 54 18850 1 . TYR 55 55 18850 1 . ASP 56 56 18850 1 . GLY 57 57 18850 1 . LEU 58 58 18850 1 . ALA 59 59 18850 1 . GLY 60 60 18850 1 . ARG 61 61 18850 1 . LEU 62 62 18850 1 . ILE 63 63 18850 1 . GLU 64 64 18850 1 . ASP 65 65 18850 1 . GLY 66 66 18850 1 . GLU 67 67 18850 1 . VAL 68 68 18850 1 . LYS 69 69 18850 1 . PRO 70 70 18850 1 . HIS 71 71 18850 1 . VAL 72 72 18850 1 . ASN 73 73 18850 1 . VAL 74 74 18850 1 . LEU 75 75 18850 1 . LYS 76 76 18850 1 . ASN 77 77 18850 1 . GLY 78 78 18850 1 . ARG 79 79 18850 1 . GLU 80 80 18850 1 . VAL 81 81 18850 1 . VAL 82 82 18850 1 . HIS 83 83 18850 1 . LEU 84 84 18850 1 . ASP 85 85 18850 1 . GLY 86 86 18850 1 . MET 87 87 18850 1 . ALA 88 88 18850 1 . THR 89 89 18850 1 . ALA 90 90 18850 1 . LEU 91 91 18850 1 . ASP 92 92 18850 1 . ASP 93 93 18850 1 . GLY 94 94 18850 1 . ASP 95 95 18850 1 . ALA 96 96 18850 1 . VAL 97 97 18850 1 . SER 98 98 18850 1 . VAL 99 99 18850 1 . PHE 100 100 18850 1 . PRO 101 101 18850 1 . PRO 102 102 18850 1 . VAL 103 103 18850 1 . ALA 104 104 18850 1 . GLY 105 105 18850 1 . GLY 106 106 18850 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 18850 _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 $Ubl_protein_HVO_2177 . 2246 organism . 'Haloferax volcanii' 'Haloferax volcanii' . . Archaea . Haloferax volcanii DS2 . . . . . . . . . . . . . . . HVO_2177 . . . . 18850 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 18850 _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 $Ubl_protein_HVO_2177 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET15b . . . . . . 18850 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18850 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubl protein HVO_2177' '[U-99% 13C; U-99% 15N]' . . 1 $Ubl_protein_HVO_2177 . . 1 . . mM . . . . 18850 1 2 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 18850 1 3 'Na-K phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18850 1 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 18850 1 5 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18850 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18850 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ubl protein HVO_2177' '[U-99% 13C; U-99% 15N]' . . 1 $Ubl_protein_HVO_2177 . . 1 . . mM . . . . 18850 2 2 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 18850 2 3 'Na-K phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18850 2 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 18850 2 5 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 18850 2 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 18850 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1 mM protein, 25 mM Na-K phosphate, pH 7.2, 500 mM NaCl, 0.2 mM EDTA, 10% D2O, 0.02% NaN3' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 18850 1 pH 7.2 . pH 18850 1 pressure 1 . atm 18850 1 temperature 298 . K 18850 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18850 _Software.ID 1 _Software.Name XEASY _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18850 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18850 1 'peak picking' 18850 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18850 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18850 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18850 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18850 _Software.ID 3 _Software.Name VNMRJ _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18850 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18850 3 stop_ save_ save_Rowland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit _Software.Entry_ID 18850 _Software.ID 4 _Software.Name 'Rowland NMR Toolkit' _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hoch, Jeffrey C. & Stern, Alan S.' . hoch@uchc.edu 18850 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18850 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18850 _Software.ID 5 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18850 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18850 5 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18850 _Software.ID 6 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18850 6 'Shen, Delaglio, Cornilescu, and Bax' . . 18850 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'torsion angle restraints' 18850 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR600 _NMR_spectrometer.Entry_ID 18850 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR800 _NMR_spectrometer.Entry_ID 18850 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18850 _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 NMR600 Varian VNMRS . 600 . . . 18850 1 2 NMR800 Varian VNMRS . 800 . . . 18850 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 18850 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 18850 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 18850 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 18850 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 18850 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 18850 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 18850 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 18850 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 18850 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 18850 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 18850 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 18850 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 18850 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 18850 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR800 . . . . . . . . . . . . . . . . 18850 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 18850 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.772 na indirect 0.251449530 . . . . . . . . . 18850 1 H 1 water protons . . . . ppm 4.772 internal direct 1.0 . . . . . . . . . 18850 1 N 15 water protons . . . . ppm 4.772 na indirect 0.101329118 . . . . . . . . . 18850 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 18850 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18850 1 2 '2D 1H-13C HSQC' . . . 18850 1 4 '3D HNCO' . . . 18850 1 5 '3D HCACO' . . . 18850 1 9 '3D HCCH-TOCSY' . . . 18850 1 10 '2D 1H-13C HSQC aromatic' . . . 18850 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 3 3 GLY HA2 H 1 3.903 0.020 . 1 . . . A -11 GLY HA2 . 18850 1 2 . 1 1 3 3 GLY C C 13 174.164 0.200 . 1 . . . A -11 GLY C . 18850 1 3 . 1 1 3 3 GLY CA C 13 45.228 0.200 . 1 . . . A -11 GLY CA . 18850 1 4 . 1 1 4 4 ARG H H 1 8.218 0.020 . 1 . . . A -10 ARG H . 18850 1 5 . 1 1 4 4 ARG HA H 1 4.299 0.020 . 1 . . . A -10 ARG HA . 18850 1 6 . 1 1 4 4 ARG HB2 H 1 1.695 0.020 . 1 . . . A -10 ARG HB2 . 18850 1 7 . 1 1 4 4 ARG HG2 H 1 1.753 0.020 . 1 . . . A -10 ARG HG2 . 18850 1 8 . 1 1 4 4 ARG HD2 H 1 3.085 0.020 . 1 . . . A -10 ARG HD2 . 18850 1 9 . 1 1 4 4 ARG C C 13 175.927 0.200 . 1 . . . A -10 ARG C . 18850 1 10 . 1 1 4 4 ARG CA C 13 56.069 0.200 . 1 . . . A -10 ARG CA . 18850 1 11 . 1 1 4 4 ARG CB C 13 30.844 0.200 . 1 . . . A -10 ARG CB . 18850 1 12 . 1 1 4 4 ARG CG C 13 26.876 0.200 . 1 . . . A -10 ARG CG . 18850 1 13 . 1 1 4 4 ARG CD C 13 43.263 0.200 . 1 . . . A -10 ARG CD . 18850 1 14 . 1 1 4 4 ARG N N 15 120.532 0.200 . 1 . . . A -10 ARG N . 18850 1 15 . 1 1 5 5 ASP H H 1 8.390 0.020 . 1 . . . A -9 ASP H . 18850 1 16 . 1 1 5 5 ASP HA H 1 4.572 0.020 . 1 . . . A -9 ASP HA . 18850 1 17 . 1 1 5 5 ASP HB2 H 1 2.578 0.020 . 2 . . . A -9 ASP HB2 . 18850 1 18 . 1 1 5 5 ASP HB3 H 1 2.699 0.020 . 2 . . . A -9 ASP HB3 . 18850 1 19 . 1 1 5 5 ASP C C 13 175.763 0.200 . 1 . . . A -9 ASP C . 18850 1 20 . 1 1 5 5 ASP CA C 13 54.247 0.200 . 1 . . . A -9 ASP CA . 18850 1 21 . 1 1 5 5 ASP CB C 13 41.136 0.200 . 1 . . . A -9 ASP CB . 18850 1 22 . 1 1 5 5 ASP N N 15 121.418 0.200 . 1 . . . A -9 ASP N . 18850 1 23 . 1 1 6 6 TYR H H 1 8.019 0.020 . 1 . . . A -8 TYR H . 18850 1 24 . 1 1 6 6 TYR HA H 1 4.510 0.020 . 1 . . . A -8 TYR HA . 18850 1 25 . 1 1 6 6 TYR HB2 H 1 3.012 0.020 . 2 . . . A -8 TYR HB2 . 18850 1 26 . 1 1 6 6 TYR HB3 H 1 2.913 0.020 . 2 . . . A -8 TYR HB3 . 18850 1 27 . 1 1 6 6 TYR HD1 H 1 7.103 0.020 . 3 . . . A -8 TYR HD1 . 18850 1 28 . 1 1 6 6 TYR HD2 H 1 7.103 0.020 . 3 . . . A -8 TYR HD2 . 18850 1 29 . 1 1 6 6 TYR HE1 H 1 6.827 0.020 . 3 . . . A -8 TYR HE1 . 18850 1 30 . 1 1 6 6 TYR HE2 H 1 6.827 0.020 . 3 . . . A -8 TYR HE2 . 18850 1 31 . 1 1 6 6 TYR C C 13 175.528 0.200 . 1 . . . A -8 TYR C . 18850 1 32 . 1 1 6 6 TYR CA C 13 57.982 0.200 . 1 . . . A -8 TYR CA . 18850 1 33 . 1 1 6 6 TYR CB C 13 38.757 0.200 . 1 . . . A -8 TYR CB . 18850 1 34 . 1 1 6 6 TYR CD1 C 13 133.265 0.200 . 3 . . . A -8 TYR CD1 . 18850 1 35 . 1 1 6 6 TYR CD2 C 13 133.265 0.200 . 3 . . . A -8 TYR CD2 . 18850 1 36 . 1 1 6 6 TYR CE1 C 13 118.139 0.200 . 3 . . . A -8 TYR CE1 . 18850 1 37 . 1 1 6 6 TYR CE2 C 13 118.139 0.200 . 3 . . . A -8 TYR CE2 . 18850 1 38 . 1 1 6 6 TYR N N 15 120.455 0.200 . 1 . . . A -8 TYR N . 18850 1 39 . 1 1 7 7 LYS H H 1 8.163 0.020 . 1 . . . A -7 LYS H . 18850 1 40 . 1 1 7 7 LYS HA H 1 4.266 0.020 . 1 . . . A -7 LYS HA . 18850 1 41 . 1 1 7 7 LYS HB2 H 1 1.666 0.020 . 2 . . . A -7 LYS HB2 . 18850 1 42 . 1 1 7 7 LYS HB3 H 1 1.777 0.020 . 2 . . . A -7 LYS HB3 . 18850 1 43 . 1 1 7 7 LYS HG2 H 1 1.298 0.020 . 2 . . . A -7 LYS HG2 . 18850 1 44 . 1 1 7 7 LYS HD2 H 1 1.621 0.020 . 2 . . . A -7 LYS HD2 . 18850 1 45 . 1 1 7 7 LYS HE2 H 1 2.969 0.020 . 1 . . . A -7 LYS HE2 . 18850 1 46 . 1 1 7 7 LYS C C 13 176.021 0.200 . 1 . . . A -7 LYS C . 18850 1 47 . 1 1 7 7 LYS CA C 13 56.096 0.200 . 1 . . . A -7 LYS CA . 18850 1 48 . 1 1 7 7 LYS CB C 13 33.332 0.200 . 1 . . . A -7 LYS CB . 18850 1 49 . 1 1 7 7 LYS CG C 13 24.483 0.200 . 1 . . . A -7 LYS CG . 18850 1 50 . 1 1 7 7 LYS CD C 13 28.906 0.200 . 1 . . . A -7 LYS CD . 18850 1 51 . 1 1 7 7 LYS CE C 13 42.030 0.200 . 1 . . . A -7 LYS CE . 18850 1 52 . 1 1 7 7 LYS N N 15 123.104 0.200 . 1 . . . A -7 LYS N . 18850 1 53 . 1 1 8 8 ASP H H 1 8.237 0.020 . 1 . . . A -6 ASP H . 18850 1 54 . 1 1 8 8 ASP N N 15 121.396 0.200 . 1 . . . A -6 ASP N . 18850 1 55 . 1 1 11 11 ASP HA H 1 4.237 0.020 . 1 . . . A -3 ASP HA . 18850 1 56 . 1 1 11 11 ASP HB2 H 1 3.606 0.020 . 1 . . . A -3 ASP HB2 . 18850 1 57 . 1 1 11 11 ASP C C 13 176.256 0.200 . 1 . . . A -3 ASP C . 18850 1 58 . 1 1 11 11 ASP CA C 13 54.309 0.200 . 1 . . . A -3 ASP CA . 18850 1 59 . 1 1 11 11 ASP CB C 13 41.158 0.200 . 1 . . . A -3 ASP CB . 18850 1 60 . 1 1 12 12 LYS H H 1 8.011 0.020 . 1 . . . A -2 LYS H . 18850 1 61 . 1 1 12 12 LYS HA H 1 4.278 0.020 . 1 . . . A -2 LYS HA . 18850 1 62 . 1 1 12 12 LYS HB2 H 1 1.751 0.020 . 2 . . . A -2 LYS HB2 . 18850 1 63 . 1 1 12 12 LYS HB3 H 1 1.843 0.020 . 2 . . . A -2 LYS HB3 . 18850 1 64 . 1 1 12 12 LYS HG2 H 1 1.452 0.020 . 2 . . . A -2 LYS HG2 . 18850 1 65 . 1 1 12 12 LYS HG3 H 1 1.335 0.020 . 2 . . . A -2 LYS HG3 . 18850 1 66 . 1 1 12 12 LYS HD2 H 1 1.650 0.020 . 1 . . . A -2 LYS HD2 . 18850 1 67 . 1 1 12 12 LYS HE2 H 1 2.955 0.020 . 1 . . . A -2 LYS HE2 . 18850 1 68 . 1 1 12 12 LYS C C 13 177.138 0.200 . 1 . . . A -2 LYS C . 18850 1 69 . 1 1 12 12 LYS CA C 13 56.568 0.200 . 1 . . . A -2 LYS CA . 18850 1 70 . 1 1 12 12 LYS CB C 13 33.057 0.200 . 1 . . . A -2 LYS CB . 18850 1 71 . 1 1 12 12 LYS CG C 13 24.556 0.200 . 1 . . . A -2 LYS CG . 18850 1 72 . 1 1 12 12 LYS CD C 13 28.906 0.200 . 1 . . . A -2 LYS CD . 18850 1 73 . 1 1 12 12 LYS CE C 13 42.103 0.200 . 1 . . . A -2 LYS CE . 18850 1 74 . 1 1 12 12 LYS N N 15 121.971 0.200 . 1 . . . A -2 LYS N . 18850 1 75 . 1 1 13 13 GLY H H 1 8.542 0.020 . 1 . . . A -1 GLY H . 18850 1 76 . 1 1 13 13 GLY HA2 H 1 3.926 0.020 . 2 . . . A -1 GLY HA2 . 18850 1 77 . 1 1 13 13 GLY HA3 H 1 4.162 0.020 . 2 . . . A -1 GLY HA3 . 18850 1 78 . 1 1 13 13 GLY C C 13 174.094 0.200 . 1 . . . A -1 GLY C . 18850 1 79 . 1 1 13 13 GLY CA C 13 45.474 0.200 . 1 . . . A -1 GLY CA . 18850 1 80 . 1 1 13 13 GLY N N 15 111.332 0.200 . 1 . . . A -1 GLY N . 18850 1 81 . 1 1 14 14 THR H H 1 7.933 0.020 . 1 . . . A 0 THR H . 18850 1 82 . 1 1 14 14 THR HA H 1 5.138 0.020 . 1 . . . A 0 THR HA . 18850 1 83 . 1 1 14 14 THR HB H 1 4.059 0.020 . 1 . . . A 0 THR HB . 18850 1 84 . 1 1 14 14 THR HG21 H 1 1.056 0.020 . 1 . . . A 0 THR HG21 . 18850 1 85 . 1 1 14 14 THR HG22 H 1 1.056 0.020 . 1 . . . A 0 THR HG22 . 18850 1 86 . 1 1 14 14 THR HG23 H 1 1.056 0.020 . 1 . . . A 0 THR HG23 . 18850 1 87 . 1 1 14 14 THR C C 13 173.353 0.200 . 1 . . . A 0 THR C . 18850 1 88 . 1 1 14 14 THR CA C 13 60.193 0.200 . 1 . . . A 0 THR CA . 18850 1 89 . 1 1 14 14 THR CB C 13 72.951 0.200 . 1 . . . A 0 THR CB . 18850 1 90 . 1 1 14 14 THR CG2 C 13 21.148 0.200 . 1 . . . A 0 THR CG2 . 18850 1 91 . 1 1 14 14 THR N N 15 110.402 0.200 . 1 . . . A 0 THR N . 18850 1 92 . 1 1 15 15 MET H H 1 9.373 0.020 . 1 . . . A 1 MET H . 18850 1 93 . 1 1 15 15 MET HA H 1 4.813 0.020 . 1 . . . A 1 MET HA . 18850 1 94 . 1 1 15 15 MET HB2 H 1 1.932 0.020 . 2 . . . A 1 MET HB2 . 18850 1 95 . 1 1 15 15 MET HB3 H 1 1.941 0.020 . 2 . . . A 1 MET HB3 . 18850 1 96 . 1 1 15 15 MET HG2 H 1 2.137 0.020 . 2 . . . A 1 MET HG2 . 18850 1 97 . 1 1 15 15 MET HG3 H 1 2.262 0.020 . 2 . . . A 1 MET HG3 . 18850 1 98 . 1 1 15 15 MET HE1 H 1 2.114 0.020 . 1 . . . A 1 MET HE1 . 18850 1 99 . 1 1 15 15 MET HE2 H 1 2.114 0.020 . 1 . . . A 1 MET HE2 . 18850 1 100 . 1 1 15 15 MET HE3 H 1 2.114 0.020 . 1 . . . A 1 MET HE3 . 18850 1 101 . 1 1 15 15 MET C C 13 172.295 0.200 . 1 . . . A 1 MET C . 18850 1 102 . 1 1 15 15 MET CA C 13 54.284 0.200 . 1 . . . A 1 MET CA . 18850 1 103 . 1 1 15 15 MET CB C 13 35.591 0.200 . 1 . . . A 1 MET CB . 18850 1 104 . 1 1 15 15 MET CG C 13 30.864 0.200 . 1 . . . A 1 MET CG . 18850 1 105 . 1 1 15 15 MET CE C 13 19.378 0.200 . 1 . . . A 1 MET CE . 18850 1 106 . 1 1 15 15 MET N N 15 118.897 0.200 . 1 . . . A 1 MET N . 18850 1 107 . 1 1 16 16 GLU H H 1 9.237 0.020 . 1 . . . A 2 GLU H . 18850 1 108 . 1 1 16 16 GLU HA H 1 5.256 0.020 . 1 . . . A 2 GLU HA . 18850 1 109 . 1 1 16 16 GLU HB2 H 1 1.866 0.020 . 2 . . . A 2 GLU HB2 . 18850 1 110 . 1 1 16 16 GLU HB3 H 1 2.182 0.020 . 2 . . . A 2 GLU HB3 . 18850 1 111 . 1 1 16 16 GLU HG2 H 1 2.199 0.020 . 1 . . . A 2 GLU HG2 . 18850 1 112 . 1 1 16 16 GLU HG3 H 1 2.199 0.020 . 1 . . . A 2 GLU HG3 . 18850 1 113 . 1 1 16 16 GLU C C 13 174.822 0.200 . 1 . . . A 2 GLU C . 18850 1 114 . 1 1 16 16 GLU CA C 13 55.480 0.200 . 1 . . . A 2 GLU CA . 18850 1 115 . 1 1 16 16 GLU CB C 13 32.756 0.200 . 1 . . . A 2 GLU CB . 18850 1 116 . 1 1 16 16 GLU CG C 13 38.422 0.200 . 1 . . . A 2 GLU CG . 18850 1 117 . 1 1 16 16 GLU N N 15 122.636 0.200 . 1 . . . A 2 GLU N . 18850 1 118 . 1 1 17 17 LEU H H 1 9.096 0.020 . 1 . . . A 3 LEU H . 18850 1 119 . 1 1 17 17 LEU HA H 1 5.114 0.020 . 1 . . . A 3 LEU HA . 18850 1 120 . 1 1 17 17 LEU HB2 H 1 1.659 0.020 . 2 . . . A 3 LEU HB2 . 18850 1 121 . 1 1 17 17 LEU HB3 H 1 1.397 0.020 . 2 . . . A 3 LEU HB3 . 18850 1 122 . 1 1 17 17 LEU HG H 1 1.692 0.020 . 1 . . . A 3 LEU HG . 18850 1 123 . 1 1 17 17 LEU HD11 H 1 0.876 0.020 . 2 . . . A 3 LEU HD11 . 18850 1 124 . 1 1 17 17 LEU HD12 H 1 0.876 0.020 . 2 . . . A 3 LEU HD12 . 18850 1 125 . 1 1 17 17 LEU HD13 H 1 0.876 0.020 . 2 . . . A 3 LEU HD13 . 18850 1 126 . 1 1 17 17 LEU HD21 H 1 0.952 0.020 . 2 . . . A 3 LEU HD21 . 18850 1 127 . 1 1 17 17 LEU HD22 H 1 0.952 0.020 . 2 . . . A 3 LEU HD22 . 18850 1 128 . 1 1 17 17 LEU HD23 H 1 0.952 0.020 . 2 . . . A 3 LEU HD23 . 18850 1 129 . 1 1 17 17 LEU C C 13 175.434 0.200 . 1 . . . A 3 LEU C . 18850 1 130 . 1 1 17 17 LEU CA C 13 52.689 0.200 . 1 . . . A 3 LEU CA . 18850 1 131 . 1 1 17 17 LEU CB C 13 46.507 0.200 . 1 . . . A 3 LEU CB . 18850 1 132 . 1 1 17 17 LEU CG C 13 27.250 0.200 . 1 . . . A 3 LEU CG . 18850 1 133 . 1 1 17 17 LEU CD1 C 13 28.773 0.200 . 2 . . . A 3 LEU CD1 . 18850 1 134 . 1 1 17 17 LEU CD2 C 13 24.991 0.200 . 2 . . . A 3 LEU CD2 . 18850 1 135 . 1 1 17 17 LEU N N 15 125.615 0.200 . 1 . . . A 3 LEU N . 18850 1 136 . 1 1 18 18 GLU H H 1 8.428 0.020 . 1 . . . A 4 GLU H . 18850 1 137 . 1 1 18 18 GLU HA H 1 4.459 0.020 . 1 . . . A 4 GLU HA . 18850 1 138 . 1 1 18 18 GLU HB2 H 1 1.760 0.020 . 2 . . . A 4 GLU HB2 . 18850 1 139 . 1 1 18 18 GLU HB3 H 1 1.874 0.020 . 2 . . . A 4 GLU HB3 . 18850 1 140 . 1 1 18 18 GLU HG2 H 1 1.575 0.020 . 2 . . . A 4 GLU HG2 . 18850 1 141 . 1 1 18 18 GLU HG3 H 1 1.603 0.020 . 2 . . . A 4 GLU HG3 . 18850 1 142 . 1 1 18 18 GLU C C 13 173.953 0.200 . 1 . . . A 4 GLU C . 18850 1 143 . 1 1 18 18 GLU CA C 13 54.465 0.200 . 1 . . . A 4 GLU CA . 18850 1 144 . 1 1 18 18 GLU CB C 13 31.480 0.200 . 1 . . . A 4 GLU CB . 18850 1 145 . 1 1 18 18 GLU CG C 13 35.940 0.200 . 1 . . . A 4 GLU CG . 18850 1 146 . 1 1 18 18 GLU N N 15 122.713 0.200 . 1 . . . A 4 GLU N . 18850 1 147 . 1 1 19 19 LEU H H 1 8.989 0.020 . 1 . . . A 5 LEU H . 18850 1 148 . 1 1 19 19 LEU HA H 1 5.000 0.020 . 1 . . . A 5 LEU HA . 18850 1 149 . 1 1 19 19 LEU HB2 H 1 1.525 0.020 . 2 . . . A 5 LEU HB2 . 18850 1 150 . 1 1 19 19 LEU HB3 H 1 0.661 0.020 . 2 . . . A 5 LEU HB3 . 18850 1 151 . 1 1 19 19 LEU HG H 1 1.234 0.020 . 1 . . . A 5 LEU HG . 18850 1 152 . 1 1 19 19 LEU HD11 H 1 0.070 0.020 . 2 . . . A 5 LEU HD11 . 18850 1 153 . 1 1 19 19 LEU HD12 H 1 0.070 0.020 . 2 . . . A 5 LEU HD12 . 18850 1 154 . 1 1 19 19 LEU HD13 H 1 0.070 0.020 . 2 . . . A 5 LEU HD13 . 18850 1 155 . 1 1 19 19 LEU HD21 H 1 0.412 0.020 . 2 . . . A 5 LEU HD21 . 18850 1 156 . 1 1 19 19 LEU HD22 H 1 0.412 0.020 . 2 . . . A 5 LEU HD22 . 18850 1 157 . 1 1 19 19 LEU HD23 H 1 0.412 0.020 . 2 . . . A 5 LEU HD23 . 18850 1 158 . 1 1 19 19 LEU C C 13 174.869 0.200 . 1 . . . A 5 LEU C . 18850 1 159 . 1 1 19 19 LEU CA C 13 52.387 0.200 . 1 . . . A 5 LEU CA . 18850 1 160 . 1 1 19 19 LEU CB C 13 42.675 0.200 . 1 . . . A 5 LEU CB . 18850 1 161 . 1 1 19 19 LEU CG C 13 27.503 0.200 . 1 . . . A 5 LEU CG . 18850 1 162 . 1 1 19 19 LEU CD1 C 13 25.426 0.200 . 2 . . . A 5 LEU CD1 . 18850 1 163 . 1 1 19 19 LEU CD2 C 13 24.411 0.200 . 2 . . . A 5 LEU CD2 . 18850 1 164 . 1 1 19 19 LEU N N 15 128.582 0.200 . 1 . . . A 5 LEU N . 18850 1 165 . 1 1 20 20 ARG H H 1 8.542 0.020 . 1 . . . A 6 ARG H . 18850 1 166 . 1 1 20 20 ARG HA H 1 4.909 0.020 . 1 . . . A 6 ARG HA . 18850 1 167 . 1 1 20 20 ARG HB2 H 1 1.537 0.020 . 2 . . . A 6 ARG HB2 . 18850 1 168 . 1 1 20 20 ARG HB3 H 1 1.630 0.020 . 2 . . . A 6 ARG HB3 . 18850 1 169 . 1 1 20 20 ARG HG2 H 1 1.379 0.020 . 2 . . . A 6 ARG HG2 . 18850 1 170 . 1 1 20 20 ARG HG3 H 1 1.226 0.020 . 2 . . . A 6 ARG HG3 . 18850 1 171 . 1 1 20 20 ARG HD2 H 1 2.958 0.020 . 2 . . . A 6 ARG HD2 . 18850 1 172 . 1 1 20 20 ARG HD3 H 1 3.009 0.020 . 2 . . . A 6 ARG HD3 . 18850 1 173 . 1 1 20 20 ARG C C 13 174.094 0.200 . 1 . . . A 6 ARG C . 18850 1 174 . 1 1 20 20 ARG CA C 13 53.958 0.200 . 1 . . . A 6 ARG CA . 18850 1 175 . 1 1 20 20 ARG CB C 13 33.054 0.200 . 1 . . . A 6 ARG CB . 18850 1 176 . 1 1 20 20 ARG CG C 13 27.311 0.200 . 1 . . . A 6 ARG CG . 18850 1 177 . 1 1 20 20 ARG CD C 13 43.843 0.200 . 1 . . . A 6 ARG CD . 18850 1 178 . 1 1 20 20 ARG N N 15 120.502 0.200 . 1 . . . A 6 ARG N . 18850 1 179 . 1 1 21 21 PHE H H 1 8.097 0.020 . 1 . . . A 7 PHE H . 18850 1 180 . 1 1 21 21 PHE HA H 1 4.931 0.020 . 1 . . . A 7 PHE HA . 18850 1 181 . 1 1 21 21 PHE HB2 H 1 2.512 0.020 . 2 . . . A 7 PHE HB2 . 18850 1 182 . 1 1 21 21 PHE HB3 H 1 2.572 0.020 . 2 . . . A 7 PHE HB3 . 18850 1 183 . 1 1 21 21 PHE HD1 H 1 6.867 0.020 . 3 . . . A 7 PHE HD1 . 18850 1 184 . 1 1 21 21 PHE HD2 H 1 6.867 0.020 . 3 . . . A 7 PHE HD2 . 18850 1 185 . 1 1 21 21 PHE HE1 H 1 6.713 0.020 . 3 . . . A 7 PHE HE1 . 18850 1 186 . 1 1 21 21 PHE HE2 H 1 6.713 0.020 . 3 . . . A 7 PHE HE2 . 18850 1 187 . 1 1 21 21 PHE HZ H 1 6.675 0.020 . 1 . . . A 7 PHE HZ . 18850 1 188 . 1 1 21 21 PHE C C 13 175.175 0.200 . 1 . . . A 7 PHE C . 18850 1 189 . 1 1 21 21 PHE CA C 13 57.185 0.200 . 1 . . . A 7 PHE CA . 18850 1 190 . 1 1 21 21 PHE CB C 13 42.438 0.200 . 1 . . . A 7 PHE CB . 18850 1 191 . 1 1 21 21 PHE CD1 C 13 131.810 0.200 . 3 . . . A 7 PHE CD1 . 18850 1 192 . 1 1 21 21 PHE CD2 C 13 131.810 0.200 . 3 . . . A 7 PHE CD2 . 18850 1 193 . 1 1 21 21 PHE CE1 C 13 130.193 0.200 . 3 . . . A 7 PHE CE1 . 18850 1 194 . 1 1 21 21 PHE CE2 C 13 130.193 0.200 . 3 . . . A 7 PHE CE2 . 18850 1 195 . 1 1 21 21 PHE CZ C 13 128.751 0.200 . 1 . . . A 7 PHE CZ . 18850 1 196 . 1 1 21 21 PHE N N 15 118.205 0.200 . 1 . . . A 7 PHE N . 18850 1 197 . 1 1 22 22 PHE H H 1 6.785 0.020 . 1 . . . A 8 PHE H . 18850 1 198 . 1 1 22 22 PHE HA H 1 4.515 0.020 . 1 . . . A 8 PHE HA . 18850 1 199 . 1 1 22 22 PHE HB2 H 1 3.192 0.020 . 2 . . . A 8 PHE HB2 . 18850 1 200 . 1 1 22 22 PHE HB3 H 1 2.345 0.020 . 2 . . . A 8 PHE HB3 . 18850 1 201 . 1 1 22 22 PHE HD1 H 1 6.790 0.020 . 3 . . . A 8 PHE HD1 . 18850 1 202 . 1 1 22 22 PHE HD2 H 1 6.790 0.020 . 3 . . . A 8 PHE HD2 . 18850 1 203 . 1 1 22 22 PHE HE1 H 1 6.929 0.020 . 3 . . . A 8 PHE HE1 . 18850 1 204 . 1 1 22 22 PHE HE2 H 1 6.929 0.020 . 3 . . . A 8 PHE HE2 . 18850 1 205 . 1 1 22 22 PHE HZ H 1 7.112 0.020 . 1 . . . A 8 PHE HZ . 18850 1 206 . 1 1 22 22 PHE C C 13 174.270 0.200 . 1 . . . A 8 PHE C . 18850 1 207 . 1 1 22 22 PHE CA C 13 57.211 0.200 . 1 . . . A 8 PHE CA . 18850 1 208 . 1 1 22 22 PHE CB C 13 43.500 0.200 . 1 . . . A 8 PHE CB . 18850 1 209 . 1 1 22 22 PHE CD1 C 13 132.079 0.200 . 3 . . . A 8 PHE CD1 . 18850 1 210 . 1 1 22 22 PHE CD2 C 13 132.079 0.200 . 3 . . . A 8 PHE CD2 . 18850 1 211 . 1 1 22 22 PHE CE1 C 13 130.793 0.200 . 3 . . . A 8 PHE CE1 . 18850 1 212 . 1 1 22 22 PHE CE2 C 13 130.793 0.200 . 3 . . . A 8 PHE CE2 . 18850 1 213 . 1 1 22 22 PHE CZ C 13 129.028 0.200 . 1 . . . A 8 PHE CZ . 18850 1 214 . 1 1 22 22 PHE N N 15 117.421 0.200 . 1 . . . A 8 PHE N . 18850 1 215 . 1 1 23 23 ALA HA H 1 4.049 0.020 . 1 . . . A 9 ALA HA . 18850 1 216 . 1 1 23 23 ALA HB1 H 1 1.577 0.020 . 1 . . . A 9 ALA HB1 . 18850 1 217 . 1 1 23 23 ALA HB2 H 1 1.577 0.020 . 1 . . . A 9 ALA HB2 . 18850 1 218 . 1 1 23 23 ALA HB3 H 1 1.577 0.020 . 1 . . . A 9 ALA HB3 . 18850 1 219 . 1 1 23 23 ALA CA C 13 53.403 0.200 . 1 . . . A 9 ALA CA . 18850 1 220 . 1 1 23 23 ALA CB C 13 17.855 0.200 . 1 . . . A 9 ALA CB . 18850 1 221 . 1 1 24 24 THR HA H 1 4.049 0.020 . 1 . . . A 10 THR HA . 18850 1 222 . 1 1 24 24 THR HB H 1 4.051 0.020 . 1 . . . A 10 THR HB . 18850 1 223 . 1 1 24 24 THR HG21 H 1 1.308 0.020 . 1 . . . A 10 THR HG21 . 18850 1 224 . 1 1 24 24 THR HG22 H 1 1.308 0.020 . 1 . . . A 10 THR HG22 . 18850 1 225 . 1 1 24 24 THR HG23 H 1 1.308 0.020 . 1 . . . A 10 THR HG23 . 18850 1 226 . 1 1 24 24 THR C C 13 176.821 0.200 . 1 . . . A 10 THR C . 18850 1 227 . 1 1 24 24 THR CA C 13 65.403 0.200 . 1 . . . A 10 THR CA . 18850 1 228 . 1 1 24 24 THR CB C 13 68.798 0.200 . 1 . . . A 10 THR CB . 18850 1 229 . 1 1 24 24 THR CG2 C 13 22.308 0.200 . 1 . . . A 10 THR CG2 . 18850 1 230 . 1 1 25 25 PHE H H 1 7.454 0.020 . 1 . . . A 11 PHE H . 18850 1 231 . 1 1 25 25 PHE HA H 1 4.681 0.020 . 1 . . . A 11 PHE HA . 18850 1 232 . 1 1 25 25 PHE HB2 H 1 3.538 0.020 . 2 . . . A 11 PHE HB2 . 18850 1 233 . 1 1 25 25 PHE HB3 H 1 3.271 0.020 . 2 . . . A 11 PHE HB3 . 18850 1 234 . 1 1 25 25 PHE HD1 H 1 7.084 0.020 . 3 . . . A 11 PHE HD1 . 18850 1 235 . 1 1 25 25 PHE HD2 H 1 7.084 0.020 . 3 . . . A 11 PHE HD2 . 18850 1 236 . 1 1 25 25 PHE HE1 H 1 7.241 0.020 . 3 . . . A 11 PHE HE1 . 18850 1 237 . 1 1 25 25 PHE HE2 H 1 7.241 0.020 . 3 . . . A 11 PHE HE2 . 18850 1 238 . 1 1 25 25 PHE HZ H 1 7.355 0.020 . 1 . . . A 11 PHE HZ . 18850 1 239 . 1 1 25 25 PHE C C 13 177.350 0.200 . 1 . . . A 11 PHE C . 18850 1 240 . 1 1 25 25 PHE CA C 13 56.351 0.200 . 1 . . . A 11 PHE CA . 18850 1 241 . 1 1 25 25 PHE CB C 13 36.644 0.200 . 1 . . . A 11 PHE CB . 18850 1 242 . 1 1 25 25 PHE CD1 C 13 129.594 0.200 . 3 . . . A 11 PHE CD1 . 18850 1 243 . 1 1 25 25 PHE CD2 C 13 129.594 0.200 . 3 . . . A 11 PHE CD2 . 18850 1 244 . 1 1 25 25 PHE CE1 C 13 131.958 0.200 . 3 . . . A 11 PHE CE1 . 18850 1 245 . 1 1 25 25 PHE CE2 C 13 131.958 0.200 . 3 . . . A 11 PHE CE2 . 18850 1 246 . 1 1 25 25 PHE CZ C 13 130.014 0.200 . 1 . . . A 11 PHE CZ . 18850 1 247 . 1 1 25 25 PHE N N 15 116.872 0.200 . 1 . . . A 11 PHE N . 18850 1 248 . 1 1 26 26 ARG H H 1 7.045 0.020 . 1 . . . A 12 ARG H . 18850 1 249 . 1 1 26 26 ARG HA H 1 3.647 0.020 . 1 . . . A 12 ARG HA . 18850 1 250 . 1 1 26 26 ARG HB2 H 1 1.309 0.020 . 2 . . . A 12 ARG HB2 . 18850 1 251 . 1 1 26 26 ARG HB3 H 1 1.928 0.020 . 2 . . . A 12 ARG HB3 . 18850 1 252 . 1 1 26 26 ARG HG2 H 1 1.368 0.020 . 2 . . . A 12 ARG HG2 . 18850 1 253 . 1 1 26 26 ARG HG3 H 1 1.277 0.020 . 2 . . . A 12 ARG HG3 . 18850 1 254 . 1 1 26 26 ARG HD2 H 1 3.002 0.020 . 2 . . . A 12 ARG HD2 . 18850 1 255 . 1 1 26 26 ARG HD3 H 1 3.023 0.020 . 2 . . . A 12 ARG HD3 . 18850 1 256 . 1 1 26 26 ARG C C 13 178.114 0.200 . 1 . . . A 12 ARG C . 18850 1 257 . 1 1 26 26 ARG CA C 13 58.634 0.200 . 1 . . . A 12 ARG CA . 18850 1 258 . 1 1 26 26 ARG CB C 13 29.291 0.200 . 1 . . . A 12 ARG CB . 18850 1 259 . 1 1 26 26 ARG CG C 13 25.716 0.200 . 1 . . . A 12 ARG CG . 18850 1 260 . 1 1 26 26 ARG CD C 13 43.500 0.200 . 1 . . . A 12 ARG CD . 18850 1 261 . 1 1 26 26 ARG N N 15 121.435 0.200 . 1 . . . A 12 ARG N . 18850 1 262 . 1 1 27 27 GLU H H 1 7.312 0.020 . 1 . . . A 13 GLU H . 18850 1 263 . 1 1 27 27 GLU HA H 1 3.910 0.020 . 1 . . . A 13 GLU HA . 18850 1 264 . 1 1 27 27 GLU HB2 H 1 2.098 0.020 . 2 . . . A 13 GLU HB2 . 18850 1 265 . 1 1 27 27 GLU HB3 H 1 2.183 0.020 . 2 . . . A 13 GLU HB3 . 18850 1 266 . 1 1 27 27 GLU HG2 H 1 2.262 0.020 . 2 . . . A 13 GLU HG2 . 18850 1 267 . 1 1 27 27 GLU HG3 H 1 2.190 0.020 . 1 . . . A 13 GLU HG3 . 18850 1 268 . 1 1 27 27 GLU C C 13 178.360 0.200 . 1 . . . A 13 GLU C . 18850 1 269 . 1 1 27 27 GLU CA C 13 58.743 0.200 . 1 . . . A 13 GLU CA . 18850 1 270 . 1 1 27 27 GLU CB C 13 29.027 0.200 . 1 . . . A 13 GLU CB . 18850 1 271 . 1 1 27 27 GLU CG C 13 36.390 0.200 . 1 . . . A 13 GLU CG . 18850 1 272 . 1 1 27 27 GLU N N 15 118.241 0.200 . 1 . . . A 13 GLU N . 18850 1 273 . 1 1 28 28 VAL H H 1 7.285 0.020 . 1 . . . A 14 VAL H . 18850 1 274 . 1 1 28 28 VAL HA H 1 3.666 0.020 . 1 . . . A 14 VAL HA . 18850 1 275 . 1 1 28 28 VAL HB H 1 1.935 0.020 . 1 . . . A 14 VAL HB . 18850 1 276 . 1 1 28 28 VAL HG11 H 1 1.077 0.020 . 2 . . . A 14 VAL HG11 . 18850 1 277 . 1 1 28 28 VAL HG12 H 1 1.077 0.020 . 2 . . . A 14 VAL HG12 . 18850 1 278 . 1 1 28 28 VAL HG13 H 1 1.077 0.020 . 2 . . . A 14 VAL HG13 . 18850 1 279 . 1 1 28 28 VAL HG21 H 1 0.736 0.020 . 2 . . . A 14 VAL HG21 . 18850 1 280 . 1 1 28 28 VAL HG22 H 1 0.736 0.020 . 2 . . . A 14 VAL HG22 . 18850 1 281 . 1 1 28 28 VAL HG23 H 1 0.736 0.020 . 2 . . . A 14 VAL HG23 . 18850 1 282 . 1 1 28 28 VAL C C 13 177.255 0.200 . 1 . . . A 14 VAL C . 18850 1 283 . 1 1 28 28 VAL CA C 13 65.337 0.200 . 1 . . . A 14 VAL CA . 18850 1 284 . 1 1 28 28 VAL CB C 13 32.309 0.200 . 1 . . . A 14 VAL CB . 18850 1 285 . 1 1 28 28 VAL CG1 C 13 21.663 0.200 . 2 . . . A 14 VAL CG1 . 18850 1 286 . 1 1 28 28 VAL CG2 C 13 21.366 0.200 . 2 . . . A 14 VAL CG2 . 18850 1 287 . 1 1 28 28 VAL N N 15 116.891 0.200 . 1 . . . A 14 VAL N . 18850 1 288 . 1 1 29 29 VAL H H 1 7.194 0.020 . 1 . . . A 15 VAL H . 18850 1 289 . 1 1 29 29 VAL HA H 1 3.241 0.020 . 1 . . . A 15 VAL HA . 18850 1 290 . 1 1 29 29 VAL HB H 1 1.210 0.020 . 1 . . . A 15 VAL HB . 18850 1 291 . 1 1 29 29 VAL HG11 H 1 0.069 0.020 . 2 . . . A 15 VAL HG11 . 18850 1 292 . 1 1 29 29 VAL HG12 H 1 0.069 0.020 . 2 . . . A 15 VAL HG12 . 18850 1 293 . 1 1 29 29 VAL HG13 H 1 0.069 0.020 . 2 . . . A 15 VAL HG13 . 18850 1 294 . 1 1 29 29 VAL HG21 H 1 -0.680 0.020 . 2 . . . A 15 VAL HG21 . 18850 1 295 . 1 1 29 29 VAL HG22 H 1 -0.680 0.020 . 2 . . . A 15 VAL HG22 . 18850 1 296 . 1 1 29 29 VAL HG23 H 1 -0.680 0.020 . 2 . . . A 15 VAL HG23 . 18850 1 297 . 1 1 29 29 VAL C C 13 177.067 0.200 . 1 . . . A 15 VAL C . 18850 1 298 . 1 1 29 29 VAL CA C 13 64.321 0.200 . 1 . . . A 15 VAL CA . 18850 1 299 . 1 1 29 29 VAL CB C 13 31.958 0.200 . 1 . . . A 15 VAL CB . 18850 1 300 . 1 1 29 29 VAL CG1 C 13 20.140 0.200 . 2 . . . A 15 VAL CG1 . 18850 1 301 . 1 1 29 29 VAL CG2 C 13 20.140 0.200 . 2 . . . A 15 VAL CG2 . 18850 1 302 . 1 1 29 29 VAL N N 15 116.993 0.200 . 1 . . . A 15 VAL N . 18850 1 303 . 1 1 30 30 GLY H H 1 8.054 0.020 . 1 . . . A 16 GLY H . 18850 1 304 . 1 1 30 30 GLY HA2 H 1 4.222 0.020 . 2 . . . A 16 GLY HA2 . 18850 1 305 . 1 1 30 30 GLY HA3 H 1 3.608 0.020 . 2 . . . A 16 GLY HA3 . 18850 1 306 . 1 1 30 30 GLY C C 13 173.459 0.200 . 1 . . . A 16 GLY C . 18850 1 307 . 1 1 30 30 GLY CA C 13 44.966 0.200 . 1 . . . A 16 GLY CA . 18850 1 308 . 1 1 30 30 GLY N N 15 107.110 0.200 . 1 . . . A 16 GLY N . 18850 1 309 . 1 1 31 31 GLN H H 1 7.050 0.020 . 1 . . . A 17 GLN H . 18850 1 310 . 1 1 31 31 GLN HA H 1 4.542 0.020 . 1 . . . A 17 GLN HA . 18850 1 311 . 1 1 31 31 GLN HB2 H 1 1.580 0.020 . 2 . . . A 17 GLN HB2 . 18850 1 312 . 1 1 31 31 GLN HB3 H 1 2.294 0.020 . 2 . . . A 17 GLN HB3 . 18850 1 313 . 1 1 31 31 GLN HG2 H 1 2.173 0.020 . 2 . . . A 17 GLN HG2 . 18850 1 314 . 1 1 31 31 GLN HG3 H 1 2.238 0.020 . 2 . . . A 17 GLN HG3 . 18850 1 315 . 1 1 31 31 GLN HE21 H 1 6.956 0.020 . 1 . . . A 17 GLN HE21 . 18850 1 316 . 1 1 31 31 GLN HE22 H 1 7.677 0.020 . 1 . . . A 17 GLN HE22 . 18850 1 317 . 1 1 31 31 GLN C C 13 173.435 0.200 . 1 . . . A 17 GLN C . 18850 1 318 . 1 1 31 31 GLN CA C 13 53.885 0.200 . 1 . . . A 17 GLN CA . 18850 1 319 . 1 1 31 31 GLN CB C 13 33.085 0.200 . 1 . . . A 17 GLN CB . 18850 1 320 . 1 1 31 31 GLN CG C 13 32.836 0.200 . 1 . . . A 17 GLN CG . 18850 1 321 . 1 1 31 31 GLN N N 15 114.225 0.200 . 1 . . . A 17 GLN N . 18850 1 322 . 1 1 31 31 GLN NE2 N 15 112.346 0.200 . 1 . . . A 17 GLN NE2 . 18850 1 323 . 1 1 32 32 LYS H H 1 8.398 0.020 . 1 . . . A 18 LYS H . 18850 1 324 . 1 1 32 32 LYS HA H 1 3.990 0.020 . 1 . . . A 18 LYS HA . 18850 1 325 . 1 1 32 32 LYS HB2 H 1 1.695 0.020 . 2 . . . A 18 LYS HB2 . 18850 1 326 . 1 1 32 32 LYS HB3 H 1 1.727 0.020 . 2 . . . A 18 LYS HB3 . 18850 1 327 . 1 1 32 32 LYS HG2 H 1 1.289 0.020 . 2 . . . A 18 LYS HG2 . 18850 1 328 . 1 1 32 32 LYS HG3 H 1 1.285 0.020 . 2 . . . A 18 LYS HG3 . 18850 1 329 . 1 1 32 32 LYS HD2 H 1 1.619 0.020 . 2 . . . A 18 LYS HD2 . 18850 1 330 . 1 1 32 32 LYS HD3 H 1 1.608 0.020 . 2 . . . A 18 LYS HD3 . 18850 1 331 . 1 1 32 32 LYS HE2 H 1 2.873 0.020 . 2 . . . A 18 LYS HE2 . 18850 1 332 . 1 1 32 32 LYS HE3 H 1 2.873 0.020 . 2 . . . A 18 LYS HE3 . 18850 1 333 . 1 1 32 32 LYS C C 13 175.880 0.200 . 1 . . . A 18 LYS C . 18850 1 334 . 1 1 32 32 LYS CA C 13 58.852 0.200 . 1 . . . A 18 LYS CA . 18850 1 335 . 1 1 32 32 LYS CB C 13 32.822 0.200 . 1 . . . A 18 LYS CB . 18850 1 336 . 1 1 32 32 LYS CG C 13 24.701 0.200 . 1 . . . A 18 LYS CG . 18850 1 337 . 1 1 32 32 LYS CD C 13 29.631 0.200 . 1 . . . A 18 LYS CD . 18850 1 338 . 1 1 32 32 LYS CE C 13 41.723 0.200 . 1 . . . A 18 LYS CE . 18850 1 339 . 1 1 32 32 LYS N N 15 117.725 0.200 . 1 . . . A 18 LYS N . 18850 1 340 . 1 1 33 33 SER H H 1 7.552 0.020 . 1 . . . A 19 SER H . 18850 1 341 . 1 1 33 33 SER HA H 1 5.658 0.020 . 1 . . . A 19 SER HA . 18850 1 342 . 1 1 33 33 SER HB2 H 1 3.486 0.020 . 2 . . . A 19 SER HB2 . 18850 1 343 . 1 1 33 33 SER HB3 H 1 3.547 0.020 . 2 . . . A 19 SER HB3 . 18850 1 344 . 1 1 33 33 SER C C 13 173.294 0.200 . 1 . . . A 19 SER C . 18850 1 345 . 1 1 33 33 SER CA C 13 56.604 0.200 . 1 . . . A 19 SER CA . 18850 1 346 . 1 1 33 33 SER CB C 13 65.282 0.200 . 1 . . . A 19 SER CB . 18850 1 347 . 1 1 33 33 SER N N 15 111.541 0.200 . 1 . . . A 19 SER N . 18850 1 348 . 1 1 34 34 ILE H H 1 8.869 0.020 . 1 . . . A 20 ILE H . 18850 1 349 . 1 1 34 34 ILE HA H 1 4.531 0.020 . 1 . . . A 20 ILE HA . 18850 1 350 . 1 1 34 34 ILE HB H 1 1.896 0.020 . 1 . . . A 20 ILE HB . 18850 1 351 . 1 1 34 34 ILE HG12 H 1 1.227 0.020 . 1 . . . A 20 ILE HG12 . 18850 1 352 . 1 1 34 34 ILE HG13 H 1 1.067 0.020 . 1 . . . A 20 ILE HG13 . 18850 1 353 . 1 1 34 34 ILE HG21 H 1 0.855 0.020 . 1 . . . A 20 ILE HG21 . 18850 1 354 . 1 1 34 34 ILE HG22 H 1 0.855 0.020 . 1 . . . A 20 ILE HG22 . 18850 1 355 . 1 1 34 34 ILE HG23 H 1 0.855 0.020 . 1 . . . A 20 ILE HG23 . 18850 1 356 . 1 1 34 34 ILE HD11 H 1 0.754 0.020 . 1 . . . A 20 ILE HD11 . 18850 1 357 . 1 1 34 34 ILE HD12 H 1 0.754 0.020 . 1 . . . A 20 ILE HD12 . 18850 1 358 . 1 1 34 34 ILE HD13 H 1 0.754 0.020 . 1 . . . A 20 ILE HD13 . 18850 1 359 . 1 1 34 34 ILE C C 13 173.388 0.200 . 1 . . . A 20 ILE C . 18850 1 360 . 1 1 34 34 ILE CA C 13 59.497 0.200 . 1 . . . A 20 ILE CA . 18850 1 361 . 1 1 34 34 ILE CB C 13 42.009 0.200 . 1 . . . A 20 ILE CB . 18850 1 362 . 1 1 34 34 ILE CG1 C 13 26.514 0.200 . 1 . . . A 20 ILE CG1 . 18850 1 363 . 1 1 34 34 ILE CG2 C 13 17.601 0.200 . 1 . . . A 20 ILE CG2 . 18850 1 364 . 1 1 34 34 ILE CD1 C 13 13.172 0.200 . 1 . . . A 20 ILE CD1 . 18850 1 365 . 1 1 34 34 ILE N N 15 119.365 0.200 . 1 . . . A 20 ILE N . 18850 1 366 . 1 1 35 35 TYR H H 1 8.568 0.020 . 1 . . . A 21 TYR H . 18850 1 367 . 1 1 35 35 TYR HA H 1 5.524 0.020 . 1 . . . A 21 TYR HA . 18850 1 368 . 1 1 35 35 TYR HB2 H 1 2.833 0.020 . 2 . . . A 21 TYR HB2 . 18850 1 369 . 1 1 35 35 TYR HB3 H 1 2.908 0.020 . 2 . . . A 21 TYR HB3 . 18850 1 370 . 1 1 35 35 TYR HD1 H 1 7.094 0.020 . 3 . . . A 21 TYR HD1 . 18850 1 371 . 1 1 35 35 TYR HD2 H 1 7.094 0.020 . 3 . . . A 21 TYR HD2 . 18850 1 372 . 1 1 35 35 TYR HE1 H 1 6.767 0.020 . 3 . . . A 21 TYR HE1 . 18850 1 373 . 1 1 35 35 TYR HE2 H 1 6.767 0.020 . 3 . . . A 21 TYR HE2 . 18850 1 374 . 1 1 35 35 TYR C C 13 175.927 0.200 . 1 . . . A 21 TYR C . 18850 1 375 . 1 1 35 35 TYR CA C 13 57.257 0.200 . 1 . . . A 21 TYR CA . 18850 1 376 . 1 1 35 35 TYR CB C 13 39.701 0.200 . 1 . . . A 21 TYR CB . 18850 1 377 . 1 1 35 35 TYR CD1 C 13 133.110 0.200 . 3 . . . A 21 TYR CD1 . 18850 1 378 . 1 1 35 35 TYR CD2 C 13 133.110 0.200 . 3 . . . A 21 TYR CD2 . 18850 1 379 . 1 1 35 35 TYR CE1 C 13 117.634 0.200 . 3 . . . A 21 TYR CE1 . 18850 1 380 . 1 1 35 35 TYR CE2 C 13 117.634 0.200 . 3 . . . A 21 TYR CE2 . 18850 1 381 . 1 1 35 35 TYR N N 15 121.568 0.200 . 1 . . . A 21 TYR N . 18850 1 382 . 1 1 36 36 TRP H H 1 9.178 0.020 . 1 . . . A 22 TRP H . 18850 1 383 . 1 1 36 36 TRP HA H 1 5.251 0.020 . 1 . . . A 22 TRP HA . 18850 1 384 . 1 1 36 36 TRP HB2 H 1 3.135 0.020 . 1 . . . A 22 TRP HB2 . 18850 1 385 . 1 1 36 36 TRP HB3 H 1 2.901 0.020 . 1 . . . A 22 TRP HB3 . 18850 1 386 . 1 1 36 36 TRP HD1 H 1 7.171 0.020 . 1 . . . A 22 TRP HD1 . 18850 1 387 . 1 1 36 36 TRP HE1 H 1 10.350 0.020 . 1 . . . A 22 TRP HE1 . 18850 1 388 . 1 1 36 36 TRP HE3 H 1 7.366 0.020 . 1 . . . A 22 TRP HE3 . 18850 1 389 . 1 1 36 36 TRP HZ2 H 1 7.368 0.020 . 1 . . . A 22 TRP HZ2 . 18850 1 390 . 1 1 36 36 TRP HZ3 H 1 7.155 0.020 . 1 . . . A 22 TRP HZ3 . 18850 1 391 . 1 1 36 36 TRP HH2 H 1 6.868 0.020 . 1 . . . A 22 TRP HH2 . 18850 1 392 . 1 1 36 36 TRP C C 13 174.787 0.200 . 1 . . . A 22 TRP C . 18850 1 393 . 1 1 36 36 TRP CA C 13 54.465 0.200 . 1 . . . A 22 TRP CA . 18850 1 394 . 1 1 36 36 TRP CB C 13 35.215 0.200 . 1 . . . A 22 TRP CB . 18850 1 395 . 1 1 36 36 TRP CD1 C 13 124.078 0.200 . 1 . . . A 22 TRP CD1 . 18850 1 396 . 1 1 36 36 TRP CE3 C 13 120.214 0.200 . 1 . . . A 22 TRP CE3 . 18850 1 397 . 1 1 36 36 TRP CZ2 C 13 114.204 0.200 . 1 . . . A 22 TRP CZ2 . 18850 1 398 . 1 1 36 36 TRP CZ3 C 13 121.241 0.200 . 1 . . . A 22 TRP CZ3 . 18850 1 399 . 1 1 36 36 TRP CH2 C 13 124.014 0.200 . 1 . . . A 22 TRP CH2 . 18850 1 400 . 1 1 36 36 TRP N N 15 125.691 0.200 . 1 . . . A 22 TRP N . 18850 1 401 . 1 1 36 36 TRP NE1 N 15 128.252 0.200 . 1 . . . A 22 TRP NE1 . 18850 1 402 . 1 1 37 37 ARG H H 1 8.380 0.020 . 1 . . . A 23 ARG H . 18850 1 403 . 1 1 37 37 ARG HA H 1 5.406 0.020 . 1 . . . A 23 ARG HA . 18850 1 404 . 1 1 37 37 ARG HB2 H 1 1.695 0.020 . 2 . . . A 23 ARG HB2 . 18850 1 405 . 1 1 37 37 ARG HB3 H 1 1.647 0.020 . 2 . . . A 23 ARG HB3 . 18850 1 406 . 1 1 37 37 ARG HG2 H 1 1.620 0.020 . 2 . . . A 23 ARG HG2 . 18850 1 407 . 1 1 37 37 ARG HG3 H 1 1.368 0.020 . 2 . . . A 23 ARG HG3 . 18850 1 408 . 1 1 37 37 ARG HD2 H 1 3.105 0.020 . 2 . . . A 23 ARG HD2 . 18850 1 409 . 1 1 37 37 ARG HD3 H 1 3.178 0.020 . 2 . . . A 23 ARG HD3 . 18850 1 410 . 1 1 37 37 ARG C C 13 175.927 0.200 . 1 . . . A 23 ARG C . 18850 1 411 . 1 1 37 37 ARG CA C 13 55.263 0.200 . 1 . . . A 23 ARG CA . 18850 1 412 . 1 1 37 37 ARG CB C 13 30.830 0.200 . 1 . . . A 23 ARG CB . 18850 1 413 . 1 1 37 37 ARG CG C 13 27.601 0.200 . 1 . . . A 23 ARG CG . 18850 1 414 . 1 1 37 37 ARG CD C 13 42.900 0.200 . 1 . . . A 23 ARG CD . 18850 1 415 . 1 1 37 37 ARG N N 15 123.824 0.200 . 1 . . . A 23 ARG N . 18850 1 416 . 1 1 38 38 VAL H H 1 8.783 0.020 . 1 . . . A 24 VAL H . 18850 1 417 . 1 1 38 38 VAL HA H 1 4.718 0.020 . 1 . . . A 24 VAL HA . 18850 1 418 . 1 1 38 38 VAL HB H 1 2.327 0.020 . 1 . . . A 24 VAL HB . 18850 1 419 . 1 1 38 38 VAL HG11 H 1 0.962 0.020 . 2 . . . A 24 VAL HG11 . 18850 1 420 . 1 1 38 38 VAL HG12 H 1 0.962 0.020 . 2 . . . A 24 VAL HG12 . 18850 1 421 . 1 1 38 38 VAL HG13 H 1 0.962 0.020 . 2 . . . A 24 VAL HG13 . 18850 1 422 . 1 1 38 38 VAL HG21 H 1 0.804 0.020 . 2 . . . A 24 VAL HG21 . 18850 1 423 . 1 1 38 38 VAL HG22 H 1 0.804 0.020 . 2 . . . A 24 VAL HG22 . 18850 1 424 . 1 1 38 38 VAL HG23 H 1 0.804 0.020 . 2 . . . A 24 VAL HG23 . 18850 1 425 . 1 1 38 38 VAL C C 13 174.411 0.200 . 1 . . . A 24 VAL C . 18850 1 426 . 1 1 38 38 VAL CA C 13 58.453 0.200 . 1 . . . A 24 VAL CA . 18850 1 427 . 1 1 38 38 VAL CB C 13 36.137 0.200 . 1 . . . A 24 VAL CB . 18850 1 428 . 1 1 38 38 VAL CG1 C 13 22.679 0.200 . 2 . . . A 24 VAL CG1 . 18850 1 429 . 1 1 38 38 VAL CG2 C 13 19.770 0.200 . 2 . . . A 24 VAL CG2 . 18850 1 430 . 1 1 38 38 VAL N N 15 118.260 0.200 . 1 . . . A 24 VAL N . 18850 1 431 . 1 1 39 39 ASP H H 1 8.344 0.020 . 1 . . . A 25 ASP H . 18850 1 432 . 1 1 39 39 ASP HA H 1 4.714 0.020 . 1 . . . A 25 ASP HA . 18850 1 433 . 1 1 39 39 ASP HB2 H 1 2.833 0.020 . 2 . . . A 25 ASP HB2 . 18850 1 434 . 1 1 39 39 ASP HB3 H 1 2.614 0.020 . 2 . . . A 25 ASP HB3 . 18850 1 435 . 1 1 39 39 ASP C C 13 176.915 0.200 . 1 . . . A 25 ASP C . 18850 1 436 . 1 1 39 39 ASP CA C 13 55.263 0.200 . 1 . . . A 25 ASP CA . 18850 1 437 . 1 1 39 39 ASP CB C 13 41.924 0.200 . 1 . . . A 25 ASP CB . 18850 1 438 . 1 1 39 39 ASP N N 15 121.307 0.200 . 1 . . . A 25 ASP N . 18850 1 439 . 1 1 40 40 ASP H H 1 8.051 0.020 . 1 . . . A 26 ASP H . 18850 1 440 . 1 1 40 40 ASP HA H 1 4.380 0.020 . 1 . . . A 26 ASP HA . 18850 1 441 . 1 1 40 40 ASP HB2 H 1 2.977 0.020 . 2 . . . A 26 ASP HB2 . 18850 1 442 . 1 1 40 40 ASP HB3 H 1 2.129 0.020 . 2 . . . A 26 ASP HB3 . 18850 1 443 . 1 1 40 40 ASP C C 13 175.281 0.200 . 1 . . . A 26 ASP C . 18850 1 444 . 1 1 40 40 ASP CA C 13 55.516 0.200 . 1 . . . A 26 ASP CA . 18850 1 445 . 1 1 40 40 ASP CB C 13 40.022 0.200 . 1 . . . A 26 ASP CB . 18850 1 446 . 1 1 40 40 ASP N N 15 118.495 0.200 . 1 . . . A 26 ASP N . 18850 1 447 . 1 1 41 41 ASP H H 1 7.938 0.020 . 1 . . . A 27 ASP H . 18850 1 448 . 1 1 41 41 ASP HA H 1 4.742 0.020 . 1 . . . A 27 ASP HA . 18850 1 449 . 1 1 41 41 ASP HB2 H 1 2.943 0.020 . 2 . . . A 27 ASP HB2 . 18850 1 450 . 1 1 41 41 ASP HB3 H 1 2.616 0.020 . 2 . . . A 27 ASP HB3 . 18850 1 451 . 1 1 41 41 ASP C C 13 176.915 0.200 . 1 . . . A 27 ASP C . 18850 1 452 . 1 1 41 41 ASP CA C 13 52.362 0.200 . 1 . . . A 27 ASP CA . 18850 1 453 . 1 1 41 41 ASP CB C 13 40.072 0.200 . 1 . . . A 27 ASP CB . 18850 1 454 . 1 1 41 41 ASP N N 15 116.103 0.200 . 1 . . . A 27 ASP N . 18850 1 455 . 1 1 42 42 ALA H H 1 7.744 0.020 . 1 . . . A 28 ALA H . 18850 1 456 . 1 1 42 42 ALA HA H 1 4.417 0.020 . 1 . . . A 28 ALA HA . 18850 1 457 . 1 1 42 42 ALA HB1 H 1 1.451 0.020 . 1 . . . A 28 ALA HB1 . 18850 1 458 . 1 1 42 42 ALA HB2 H 1 1.451 0.020 . 1 . . . A 28 ALA HB2 . 18850 1 459 . 1 1 42 42 ALA HB3 H 1 1.451 0.020 . 1 . . . A 28 ALA HB3 . 18850 1 460 . 1 1 42 42 ALA C C 13 177.373 0.200 . 1 . . . A 28 ALA C . 18850 1 461 . 1 1 42 42 ALA CA C 13 53.403 0.200 . 1 . . . A 28 ALA CA . 18850 1 462 . 1 1 42 42 ALA CB C 13 19.372 0.200 . 1 . . . A 28 ALA CB . 18850 1 463 . 1 1 42 42 ALA N N 15 124.052 0.200 . 1 . . . A 28 ALA N . 18850 1 464 . 1 1 43 43 THR H H 1 8.694 0.020 . 1 . . . A 29 THR H . 18850 1 465 . 1 1 43 43 THR HA H 1 4.930 0.020 . 1 . . . A 29 THR HA . 18850 1 466 . 1 1 43 43 THR HB H 1 4.509 0.020 . 1 . . . A 29 THR HB . 18850 1 467 . 1 1 43 43 THR HG21 H 1 1.178 0.020 . 1 . . . A 29 THR HG21 . 18850 1 468 . 1 1 43 43 THR HG22 H 1 1.178 0.020 . 1 . . . A 29 THR HG22 . 18850 1 469 . 1 1 43 43 THR HG23 H 1 1.178 0.020 . 1 . . . A 29 THR HG23 . 18850 1 470 . 1 1 43 43 THR C C 13 177.067 0.200 . 1 . . . A 29 THR C . 18850 1 471 . 1 1 43 43 THR CA C 13 59.178 0.200 . 1 . . . A 29 THR CA . 18850 1 472 . 1 1 43 43 THR CB C 13 73.462 0.200 . 1 . . . A 29 THR CB . 18850 1 473 . 1 1 43 43 THR CG2 C 13 22.018 0.200 . 1 . . . A 29 THR CG2 . 18850 1 474 . 1 1 43 43 THR N N 15 110.406 0.200 . 1 . . . A 29 THR N . 18850 1 475 . 1 1 44 44 VAL H H 1 8.775 0.020 . 1 . . . A 30 VAL H . 18850 1 476 . 1 1 44 44 VAL HA H 1 3.444 0.020 . 1 . . . A 30 VAL HA . 18850 1 477 . 1 1 44 44 VAL HB H 1 2.018 0.020 . 1 . . . A 30 VAL HB . 18850 1 478 . 1 1 44 44 VAL HG11 H 1 0.980 0.020 . 2 . . . A 30 VAL HG11 . 18850 1 479 . 1 1 44 44 VAL HG12 H 1 0.980 0.020 . 2 . . . A 30 VAL HG12 . 18850 1 480 . 1 1 44 44 VAL HG13 H 1 0.980 0.020 . 2 . . . A 30 VAL HG13 . 18850 1 481 . 1 1 44 44 VAL HG21 H 1 0.880 0.020 . 2 . . . A 30 VAL HG21 . 18850 1 482 . 1 1 44 44 VAL HG22 H 1 0.880 0.020 . 2 . . . A 30 VAL HG22 . 18850 1 483 . 1 1 44 44 VAL HG23 H 1 0.880 0.020 . 2 . . . A 30 VAL HG23 . 18850 1 484 . 1 1 44 44 VAL C C 13 177.185 0.200 . 1 . . . A 30 VAL C . 18850 1 485 . 1 1 44 44 VAL CA C 13 67.625 0.200 . 1 . . . A 30 VAL CA . 18850 1 486 . 1 1 44 44 VAL CB C 13 32.074 0.200 . 1 . . . A 30 VAL CB . 18850 1 487 . 1 1 44 44 VAL CG1 C 13 24.483 0.200 . 2 . . . A 30 VAL CG1 . 18850 1 488 . 1 1 44 44 VAL CG2 C 13 21.583 0.200 . 2 . . . A 30 VAL CG2 . 18850 1 489 . 1 1 44 44 VAL N N 15 119.256 0.200 . 1 . . . A 30 VAL N . 18850 1 490 . 1 1 45 45 GLY H H 1 9.272 0.020 . 1 . . . A 31 GLY H . 18850 1 491 . 1 1 45 45 GLY HA2 H 1 3.782 0.020 . 2 . . . A 31 GLY HA2 . 18850 1 492 . 1 1 45 45 GLY HA3 H 1 3.867 0.020 . 2 . . . A 31 GLY HA3 . 18850 1 493 . 1 1 45 45 GLY C C 13 175.422 0.200 . 1 . . . A 31 GLY C . 18850 1 494 . 1 1 45 45 GLY CA C 13 48.664 0.200 . 1 . . . A 31 GLY CA . 18850 1 495 . 1 1 45 45 GLY N N 15 107.468 0.200 . 1 . . . A 31 GLY N . 18850 1 496 . 1 1 46 46 ASP H H 1 7.459 0.020 . 1 . . . A 32 ASP H . 18850 1 497 . 1 1 46 46 ASP HA H 1 4.413 0.020 . 1 . . . A 32 ASP HA . 18850 1 498 . 1 1 46 46 ASP HB2 H 1 3.084 0.020 . 2 . . . A 32 ASP HB2 . 18850 1 499 . 1 1 46 46 ASP HB3 H 1 2.873 0.020 . 2 . . . A 32 ASP HB3 . 18850 1 500 . 1 1 46 46 ASP C C 13 179.301 0.200 . 1 . . . A 32 ASP C . 18850 1 501 . 1 1 46 46 ASP CA C 13 57.692 0.200 . 1 . . . A 32 ASP CA . 18850 1 502 . 1 1 46 46 ASP CB C 13 41.204 0.200 . 1 . . . A 32 ASP CB . 18850 1 503 . 1 1 46 46 ASP N N 15 120.430 0.200 . 1 . . . A 32 ASP N . 18850 1 504 . 1 1 47 47 VAL H H 1 7.936 0.020 . 1 . . . A 33 VAL H . 18850 1 505 . 1 1 47 47 VAL HA H 1 3.774 0.020 . 1 . . . A 33 VAL HA . 18850 1 506 . 1 1 47 47 VAL HB H 1 2.302 0.020 . 1 . . . A 33 VAL HB . 18850 1 507 . 1 1 47 47 VAL HG11 H 1 0.980 0.020 . 2 . . . A 33 VAL HG11 . 18850 1 508 . 1 1 47 47 VAL HG12 H 1 0.980 0.020 . 2 . . . A 33 VAL HG12 . 18850 1 509 . 1 1 47 47 VAL HG13 H 1 0.980 0.020 . 2 . . . A 33 VAL HG13 . 18850 1 510 . 1 1 47 47 VAL HG21 H 1 0.779 0.020 . 2 . . . A 33 VAL HG21 . 18850 1 511 . 1 1 47 47 VAL HG22 H 1 0.779 0.020 . 2 . . . A 33 VAL HG22 . 18850 1 512 . 1 1 47 47 VAL HG23 H 1 0.779 0.020 . 2 . . . A 33 VAL HG23 . 18850 1 513 . 1 1 47 47 VAL C C 13 178.067 0.200 . 1 . . . A 33 VAL C . 18850 1 514 . 1 1 47 47 VAL CA C 13 66.792 0.200 . 1 . . . A 33 VAL CA . 18850 1 515 . 1 1 47 47 VAL CB C 13 31.618 0.200 . 1 . . . A 33 VAL CB . 18850 1 516 . 1 1 47 47 VAL CG1 C 13 23.323 0.200 . 2 . . . A 33 VAL CG1 . 18850 1 517 . 1 1 47 47 VAL CG2 C 13 21.663 0.200 . 2 . . . A 33 VAL CG2 . 18850 1 518 . 1 1 47 47 VAL N N 15 121.415 0.200 . 1 . . . A 33 VAL N . 18850 1 519 . 1 1 48 48 LEU H H 1 8.626 0.020 . 1 . . . A 34 LEU H . 18850 1 520 . 1 1 48 48 LEU HA H 1 3.990 0.020 . 1 . . . A 34 LEU HA . 18850 1 521 . 1 1 48 48 LEU HB2 H 1 1.914 0.020 . 2 . . . A 34 LEU HB2 . 18850 1 522 . 1 1 48 48 LEU HB3 H 1 1.282 0.020 . 2 . . . A 34 LEU HB3 . 18850 1 523 . 1 1 48 48 LEU HG H 1 2.096 0.020 . 1 . . . A 34 LEU HG . 18850 1 524 . 1 1 48 48 LEU HD11 H 1 0.875 0.020 . 2 . . . A 34 LEU HD11 . 18850 1 525 . 1 1 48 48 LEU HD12 H 1 0.875 0.020 . 2 . . . A 34 LEU HD12 . 18850 1 526 . 1 1 48 48 LEU HD13 H 1 0.875 0.020 . 2 . . . A 34 LEU HD13 . 18850 1 527 . 1 1 48 48 LEU HD21 H 1 0.747 0.020 . 2 . . . A 34 LEU HD21 . 18850 1 528 . 1 1 48 48 LEU HD22 H 1 0.747 0.020 . 2 . . . A 34 LEU HD22 . 18850 1 529 . 1 1 48 48 LEU HD23 H 1 0.747 0.020 . 2 . . . A 34 LEU HD23 . 18850 1 530 . 1 1 48 48 LEU C C 13 178.878 0.200 . 1 . . . A 34 LEU C . 18850 1 531 . 1 1 48 48 LEU CA C 13 58.381 0.200 . 1 . . . A 34 LEU CA . 18850 1 532 . 1 1 48 48 LEU CB C 13 40.896 0.200 . 1 . . . A 34 LEU CB . 18850 1 533 . 1 1 48 48 LEU CG C 13 26.488 0.200 . 1 . . . A 34 LEU CG . 18850 1 534 . 1 1 48 48 LEU CD1 C 13 26.659 0.200 . 2 . . . A 34 LEU CD1 . 18850 1 535 . 1 1 48 48 LEU CD2 C 13 21.656 0.200 . 2 . . . A 34 LEU CD2 . 18850 1 536 . 1 1 48 48 LEU N N 15 118.789 0.200 . 1 . . . A 34 LEU N . 18850 1 537 . 1 1 49 49 ARG H H 1 8.324 0.020 . 1 . . . A 35 ARG H . 18850 1 538 . 1 1 49 49 ARG HA H 1 3.863 0.020 . 1 . . . A 35 ARG HA . 18850 1 539 . 1 1 49 49 ARG HB2 H 1 2.049 0.020 . 2 . . . A 35 ARG HB2 . 18850 1 540 . 1 1 49 49 ARG HB3 H 1 1.843 0.020 . 2 . . . A 35 ARG HB3 . 18850 1 541 . 1 1 49 49 ARG HG2 H 1 1.806 0.020 . 2 . . . A 35 ARG HG2 . 18850 1 542 . 1 1 49 49 ARG HG3 H 1 1.551 0.020 . 2 . . . A 35 ARG HG3 . 18850 1 543 . 1 1 49 49 ARG HD2 H 1 3.329 0.020 . 2 . . . A 35 ARG HD2 . 18850 1 544 . 1 1 49 49 ARG HD3 H 1 3.095 0.020 . 2 . . . A 35 ARG HD3 . 18850 1 545 . 1 1 49 49 ARG C C 13 180.276 0.200 . 1 . . . A 35 ARG C . 18850 1 546 . 1 1 49 49 ARG CA C 13 60.258 0.200 . 1 . . . A 35 ARG CA . 18850 1 547 . 1 1 49 49 ARG CB C 13 30.798 0.200 . 1 . . . A 35 ARG CB . 18850 1 548 . 1 1 49 49 ARG CG C 13 29.281 0.200 . 1 . . . A 35 ARG CG . 18850 1 549 . 1 1 49 49 ARG CD C 13 43.263 0.200 . 1 . . . A 35 ARG CD . 18850 1 550 . 1 1 49 49 ARG N N 15 118.530 0.200 . 1 . . . A 35 ARG N . 18850 1 551 . 1 1 50 50 SER H H 1 8.312 0.020 . 1 . . . A 36 SER H . 18850 1 552 . 1 1 50 50 SER HA H 1 4.392 0.020 . 1 . . . A 36 SER HA . 18850 1 553 . 1 1 50 50 SER HB2 H 1 4.142 0.020 . 2 . . . A 36 SER HB2 . 18850 1 554 . 1 1 50 50 SER HB3 H 1 4.384 0.020 . 2 . . . A 36 SER HB3 . 18850 1 555 . 1 1 50 50 SER C C 13 177.009 0.200 . 1 . . . A 36 SER C . 18850 1 556 . 1 1 50 50 SER CA C 13 62.477 0.200 . 1 . . . A 36 SER CA . 18850 1 557 . 1 1 50 50 SER CB C 13 63.051 0.200 . 1 . . . A 36 SER CB . 18850 1 558 . 1 1 50 50 SER N N 15 117.304 0.200 . 1 . . . A 36 SER N . 18850 1 559 . 1 1 51 51 LEU H H 1 8.611 0.020 . 1 . . . A 37 LEU H . 18850 1 560 . 1 1 51 51 LEU HA H 1 4.226 0.020 . 1 . . . A 37 LEU HA . 18850 1 561 . 1 1 51 51 LEU HB2 H 1 2.161 0.020 . 2 . . . A 37 LEU HB2 . 18850 1 562 . 1 1 51 51 LEU HB3 H 1 1.173 0.020 . 2 . . . A 37 LEU HB3 . 18850 1 563 . 1 1 51 51 LEU HG H 1 1.694 0.020 . 1 . . . A 37 LEU HG . 18850 1 564 . 1 1 51 51 LEU HD11 H 1 0.506 0.020 . 2 . . . A 37 LEU HD11 . 18850 1 565 . 1 1 51 51 LEU HD12 H 1 0.506 0.020 . 2 . . . A 37 LEU HD12 . 18850 1 566 . 1 1 51 51 LEU HD13 H 1 0.506 0.020 . 2 . . . A 37 LEU HD13 . 18850 1 567 . 1 1 51 51 LEU HD21 H 1 0.668 0.020 . 2 . . . A 37 LEU HD21 . 18850 1 568 . 1 1 51 51 LEU HD22 H 1 0.668 0.020 . 2 . . . A 37 LEU HD22 . 18850 1 569 . 1 1 51 51 LEU HD23 H 1 0.668 0.020 . 2 . . . A 37 LEU HD23 . 18850 1 570 . 1 1 51 51 LEU C C 13 178.642 0.200 . 1 . . . A 37 LEU C . 18850 1 571 . 1 1 51 51 LEU CA C 13 58.453 0.200 . 1 . . . A 37 LEU CA . 18850 1 572 . 1 1 51 51 LEU CB C 13 42.606 0.200 . 1 . . . A 37 LEU CB . 18850 1 573 . 1 1 51 51 LEU CG C 13 26.234 0.200 . 1 . . . A 37 LEU CG . 18850 1 574 . 1 1 51 51 LEU CD1 C 13 23.187 0.200 . 2 . . . A 37 LEU CD1 . 18850 1 575 . 1 1 51 51 LEU CD2 C 13 25.726 0.200 . 2 . . . A 37 LEU CD2 . 18850 1 576 . 1 1 51 51 LEU N N 15 124.397 0.200 . 1 . . . A 37 LEU N . 18850 1 577 . 1 1 52 52 GLU H H 1 7.766 0.020 . 1 . . . A 38 GLU H . 18850 1 578 . 1 1 52 52 GLU HA H 1 3.721 0.020 . 1 . . . A 38 GLU HA . 18850 1 579 . 1 1 52 52 GLU HB2 H 1 2.218 0.020 . 2 . . . A 38 GLU HB2 . 18850 1 580 . 1 1 52 52 GLU HB3 H 1 2.086 0.020 . 2 . . . A 38 GLU HB3 . 18850 1 581 . 1 1 52 52 GLU HG2 H 1 2.804 0.020 . 2 . . . A 38 GLU HG2 . 18850 1 582 . 1 1 52 52 GLU HG3 H 1 2.205 0.020 . 2 . . . A 38 GLU HG3 . 18850 1 583 . 1 1 52 52 GLU C C 13 176.950 0.200 . 1 . . . A 38 GLU C . 18850 1 584 . 1 1 52 52 GLU CA C 13 61.020 0.200 . 1 . . . A 38 GLU CA . 18850 1 585 . 1 1 52 52 GLU CB C 13 29.735 0.200 . 1 . . . A 38 GLU CB . 18850 1 586 . 1 1 52 52 GLU CG C 13 37.897 0.200 . 1 . . . A 38 GLU CG . 18850 1 587 . 1 1 52 52 GLU N N 15 116.114 0.200 . 1 . . . A 38 GLU N . 18850 1 588 . 1 1 53 53 ALA H H 1 7.402 0.020 . 1 . . . A 39 ALA H . 18850 1 589 . 1 1 53 53 ALA HA H 1 4.217 0.020 . 1 . . . A 39 ALA HA . 18850 1 590 . 1 1 53 53 ALA HB1 H 1 1.530 0.020 . 1 . . . A 39 ALA HB1 . 18850 1 591 . 1 1 53 53 ALA HB2 H 1 1.530 0.020 . 1 . . . A 39 ALA HB2 . 18850 1 592 . 1 1 53 53 ALA HB3 H 1 1.530 0.020 . 1 . . . A 39 ALA HB3 . 18850 1 593 . 1 1 53 53 ALA C C 13 178.901 0.200 . 1 . . . A 39 ALA C . 18850 1 594 . 1 1 53 53 ALA CA C 13 53.403 0.200 . 1 . . . A 39 ALA CA . 18850 1 595 . 1 1 53 53 ALA CB C 13 18.828 0.200 . 1 . . . A 39 ALA CB . 18850 1 596 . 1 1 53 53 ALA N N 15 117.203 0.200 . 1 . . . A 39 ALA N . 18850 1 597 . 1 1 54 54 GLU H H 1 7.897 0.020 . 1 . . . A 40 GLU H . 18850 1 598 . 1 1 54 54 GLU HA H 1 4.124 0.020 . 1 . . . A 40 GLU HA . 18850 1 599 . 1 1 54 54 GLU HB2 H 1 1.847 0.020 . 2 . . . A 40 GLU HB2 . 18850 1 600 . 1 1 54 54 GLU HB3 H 1 2.075 0.020 . 2 . . . A 40 GLU HB3 . 18850 1 601 . 1 1 54 54 GLU HG2 H 1 2.112 0.020 . 2 . . . A 40 GLU HG2 . 18850 1 602 . 1 1 54 54 GLU HG3 H 1 1.802 0.020 . 2 . . . A 40 GLU HG3 . 18850 1 603 . 1 1 54 54 GLU C C 13 176.386 0.200 . 1 . . . A 40 GLU C . 18850 1 604 . 1 1 54 54 GLU CA C 13 57.402 0.200 . 1 . . . A 40 GLU CA . 18850 1 605 . 1 1 54 54 GLU CB C 13 31.003 0.200 . 1 . . . A 40 GLU CB . 18850 1 606 . 1 1 54 54 GLU CG C 13 35.287 0.200 . 1 . . . A 40 GLU CG . 18850 1 607 . 1 1 54 54 GLU N N 15 117.510 0.200 . 1 . . . A 40 GLU N . 18850 1 608 . 1 1 55 55 TYR H H 1 7.835 0.020 . 1 . . . A 41 TYR H . 18850 1 609 . 1 1 55 55 TYR HA H 1 4.645 0.020 . 1 . . . A 41 TYR HA . 18850 1 610 . 1 1 55 55 TYR HB2 H 1 2.782 0.020 . 1 . . . A 41 TYR HB2 . 18850 1 611 . 1 1 55 55 TYR HB3 H 1 2.535 0.020 . 1 . . . A 41 TYR HB3 . 18850 1 612 . 1 1 55 55 TYR HD1 H 1 7.190 0.020 . 3 . . . A 41 TYR HD1 . 18850 1 613 . 1 1 55 55 TYR HD2 H 1 7.190 0.020 . 3 . . . A 41 TYR HD2 . 18850 1 614 . 1 1 55 55 TYR HE1 H 1 6.749 0.020 . 3 . . . A 41 TYR HE1 . 18850 1 615 . 1 1 55 55 TYR HE2 H 1 6.749 0.020 . 3 . . . A 41 TYR HE2 . 18850 1 616 . 1 1 55 55 TYR C C 13 175.457 0.200 . 1 . . . A 41 TYR C . 18850 1 617 . 1 1 55 55 TYR CA C 13 56.423 0.200 . 1 . . . A 41 TYR CA . 18850 1 618 . 1 1 55 55 TYR CB C 13 38.479 0.200 . 1 . . . A 41 TYR CB . 18850 1 619 . 1 1 55 55 TYR CD1 C 13 133.459 0.200 . 3 . . . A 41 TYR CD1 . 18850 1 620 . 1 1 55 55 TYR CD2 C 13 133.459 0.200 . 3 . . . A 41 TYR CD2 . 18850 1 621 . 1 1 55 55 TYR CE1 C 13 117.879 0.200 . 3 . . . A 41 TYR CE1 . 18850 1 622 . 1 1 55 55 TYR CE2 C 13 117.879 0.200 . 3 . . . A 41 TYR CE2 . 18850 1 623 . 1 1 55 55 TYR N N 15 116.741 0.200 . 1 . . . A 41 TYR N . 18850 1 624 . 1 1 56 56 ASP H H 1 8.762 0.020 . 1 . . . A 42 ASP H . 18850 1 625 . 1 1 56 56 ASP HA H 1 4.417 0.020 . 1 . . . A 42 ASP HA . 18850 1 626 . 1 1 56 56 ASP HB2 H 1 2.696 0.020 . 2 . . . A 42 ASP HB2 . 18850 1 627 . 1 1 56 56 ASP HB3 H 1 2.693 0.020 . 2 . . . A 42 ASP HB3 . 18850 1 628 . 1 1 56 56 ASP C C 13 179.254 0.200 . 1 . . . A 42 ASP C . 18850 1 629 . 1 1 56 56 ASP CA C 13 57.366 0.200 . 1 . . . A 42 ASP CA . 18850 1 630 . 1 1 56 56 ASP CB C 13 40.246 0.200 . 1 . . . A 42 ASP CB . 18850 1 631 . 1 1 56 56 ASP N N 15 126.302 0.200 . 1 . . . A 42 ASP N . 18850 1 632 . 1 1 57 57 GLY H H 1 9.069 0.020 . 1 . . . A 43 GLY H . 18850 1 633 . 1 1 57 57 GLY HA2 H 1 4.124 0.020 . 2 . . . A 43 GLY HA2 . 18850 1 634 . 1 1 57 57 GLY HA3 H 1 3.652 0.020 . 2 . . . A 43 GLY HA3 . 18850 1 635 . 1 1 57 57 GLY C C 13 173.988 0.200 . 1 . . . A 43 GLY C . 18850 1 636 . 1 1 57 57 GLY CA C 13 46.163 0.200 . 1 . . . A 43 GLY CA . 18850 1 637 . 1 1 57 57 GLY N N 15 104.595 0.200 . 1 . . . A 43 GLY N . 18850 1 638 . 1 1 58 58 LEU H H 1 7.979 0.020 . 1 . . . A 44 LEU H . 18850 1 639 . 1 1 58 58 LEU HA H 1 4.322 0.020 . 1 . . . A 44 LEU HA . 18850 1 640 . 1 1 58 58 LEU HB2 H 1 1.928 0.020 . 2 . . . A 44 LEU HB2 . 18850 1 641 . 1 1 58 58 LEU HB3 H 1 1.221 0.020 . 2 . . . A 44 LEU HB3 . 18850 1 642 . 1 1 58 58 LEU HG H 1 1.206 0.020 . 1 . . . A 44 LEU HG . 18850 1 643 . 1 1 58 58 LEU HD11 H 1 0.163 0.020 . 2 . . . A 44 LEU HD11 . 18850 1 644 . 1 1 58 58 LEU HD12 H 1 0.163 0.020 . 2 . . . A 44 LEU HD12 . 18850 1 645 . 1 1 58 58 LEU HD13 H 1 0.163 0.020 . 2 . . . A 44 LEU HD13 . 18850 1 646 . 1 1 58 58 LEU HD21 H 1 0.388 0.020 . 2 . . . A 44 LEU HD21 . 18850 1 647 . 1 1 58 58 LEU HD22 H 1 0.388 0.020 . 2 . . . A 44 LEU HD22 . 18850 1 648 . 1 1 58 58 LEU HD23 H 1 0.388 0.020 . 2 . . . A 44 LEU HD23 . 18850 1 649 . 1 1 58 58 LEU C C 13 176.456 0.200 . 1 . . . A 44 LEU C . 18850 1 650 . 1 1 58 58 LEU CA C 13 53.890 0.200 . 1 . . . A 44 LEU CA . 18850 1 651 . 1 1 58 58 LEU CB C 13 41.668 0.200 . 1 . . . A 44 LEU CB . 18850 1 652 . 1 1 58 58 LEU CG C 13 26.488 0.200 . 1 . . . A 44 LEU CG . 18850 1 653 . 1 1 58 58 LEU CD1 C 13 22.091 0.200 . 2 . . . A 44 LEU CD1 . 18850 1 654 . 1 1 58 58 LEU CD2 C 13 25.861 0.200 . 2 . . . A 44 LEU CD2 . 18850 1 655 . 1 1 58 58 LEU N N 15 115.649 0.200 . 1 . . . A 44 LEU N . 18850 1 656 . 1 1 59 59 ALA H H 1 7.330 0.020 . 1 . . . A 45 ALA H . 18850 1 657 . 1 1 59 59 ALA HA H 1 3.929 0.020 . 1 . . . A 45 ALA HA . 18850 1 658 . 1 1 59 59 ALA HB1 H 1 1.602 0.020 . 1 . . . A 45 ALA HB1 . 18850 1 659 . 1 1 59 59 ALA HB2 H 1 1.602 0.020 . 1 . . . A 45 ALA HB2 . 18850 1 660 . 1 1 59 59 ALA HB3 H 1 1.602 0.020 . 1 . . . A 45 ALA HB3 . 18850 1 661 . 1 1 59 59 ALA C C 13 179.042 0.200 . 1 . . . A 45 ALA C . 18850 1 662 . 1 1 59 59 ALA CA C 13 54.418 0.200 . 1 . . . A 45 ALA CA . 18850 1 663 . 1 1 59 59 ALA CB C 13 17.958 0.200 . 1 . . . A 45 ALA CB . 18850 1 664 . 1 1 59 59 ALA N N 15 124.270 0.200 . 1 . . . A 45 ALA N . 18850 1 665 . 1 1 60 60 GLY H H 1 8.393 0.020 . 1 . . . A 46 GLY H . 18850 1 666 . 1 1 60 60 GLY HA2 H 1 4.189 0.020 . 2 . . . A 46 GLY HA2 . 18850 1 667 . 1 1 60 60 GLY HA3 H 1 4.190 0.020 . 2 . . . A 46 GLY HA3 . 18850 1 668 . 1 1 60 60 GLY C C 13 174.446 0.200 . 1 . . . A 46 GLY C . 18850 1 669 . 1 1 60 60 GLY CA C 13 46.018 0.200 . 1 . . . A 46 GLY CA . 18850 1 670 . 1 1 60 60 GLY N N 15 111.754 0.200 . 1 . . . A 46 GLY N . 18850 1 671 . 1 1 61 61 ARG H H 1 8.214 0.020 . 1 . . . A 47 ARG H . 18850 1 672 . 1 1 61 61 ARG HA H 1 4.470 0.020 . 1 . . . A 47 ARG HA . 18850 1 673 . 1 1 61 61 ARG HB2 H 1 2.153 0.020 . 2 . . . A 47 ARG HB2 . 18850 1 674 . 1 1 61 61 ARG HB3 H 1 1.698 0.020 . 2 . . . A 47 ARG HB3 . 18850 1 675 . 1 1 61 61 ARG HG2 H 1 1.526 0.020 . 2 . . . A 47 ARG HG2 . 18850 1 676 . 1 1 61 61 ARG HG3 H 1 1.709 0.020 . 2 . . . A 47 ARG HG3 . 18850 1 677 . 1 1 61 61 ARG HD2 H 1 3.278 0.020 . 2 . . . A 47 ARG HD2 . 18850 1 678 . 1 1 61 61 ARG HD3 H 1 3.277 0.020 . 2 . . . A 47 ARG HD3 . 18850 1 679 . 1 1 61 61 ARG C C 13 175.398 0.200 . 1 . . . A 47 ARG C . 18850 1 680 . 1 1 61 61 ARG CA C 13 56.061 0.200 . 1 . . . A 47 ARG CA . 18850 1 681 . 1 1 61 61 ARG CB C 13 31.618 0.200 . 1 . . . A 47 ARG CB . 18850 1 682 . 1 1 61 61 ARG CG C 13 27.456 0.200 . 1 . . . A 47 ARG CG . 18850 1 683 . 1 1 61 61 ARG CD C 13 43.480 0.200 . 1 . . . A 47 ARG CD . 18850 1 684 . 1 1 61 61 ARG N N 15 116.125 0.200 . 1 . . . A 47 ARG N . 18850 1 685 . 1 1 62 62 LEU H H 1 8.966 0.020 . 1 . . . A 48 LEU H . 18850 1 686 . 1 1 62 62 LEU HA H 1 4.694 0.020 . 1 . . . A 48 LEU HA . 18850 1 687 . 1 1 62 62 LEU HB2 H 1 2.277 0.020 . 2 . . . A 48 LEU HB2 . 18850 1 688 . 1 1 62 62 LEU HB3 H 1 1.286 0.020 . 2 . . . A 48 LEU HB3 . 18850 1 689 . 1 1 62 62 LEU HG H 1 1.698 0.020 . 1 . . . A 48 LEU HG . 18850 1 690 . 1 1 62 62 LEU HD11 H 1 0.905 0.020 . 2 . . . A 48 LEU HD11 . 18850 1 691 . 1 1 62 62 LEU HD12 H 1 0.905 0.020 . 2 . . . A 48 LEU HD12 . 18850 1 692 . 1 1 62 62 LEU HD13 H 1 0.905 0.020 . 2 . . . A 48 LEU HD13 . 18850 1 693 . 1 1 62 62 LEU HD21 H 1 0.392 0.020 . 2 . . . A 48 LEU HD21 . 18850 1 694 . 1 1 62 62 LEU HD22 H 1 0.392 0.020 . 2 . . . A 48 LEU HD22 . 18850 1 695 . 1 1 62 62 LEU HD23 H 1 0.392 0.020 . 2 . . . A 48 LEU HD23 . 18850 1 696 . 1 1 62 62 LEU C C 13 176.491 0.200 . 1 . . . A 48 LEU C . 18850 1 697 . 1 1 62 62 LEU CA C 13 56.051 0.200 . 1 . . . A 48 LEU CA . 18850 1 698 . 1 1 62 62 LEU CB C 13 43.263 0.200 . 1 . . . A 48 LEU CB . 18850 1 699 . 1 1 62 62 LEU CG C 13 26.488 0.200 . 1 . . . A 48 LEU CG . 18850 1 700 . 1 1 62 62 LEU CD1 C 13 27.503 0.200 . 2 . . . A 48 LEU CD1 . 18850 1 701 . 1 1 62 62 LEU CD2 C 13 24.411 0.200 . 2 . . . A 48 LEU CD2 . 18850 1 702 . 1 1 62 62 LEU N N 15 117.031 0.200 . 1 . . . A 48 LEU N . 18850 1 703 . 1 1 63 63 ILE H H 1 8.214 0.020 . 1 . . . A 49 ILE H . 18850 1 704 . 1 1 63 63 ILE HA H 1 4.694 0.020 . 1 . . . A 49 ILE HA . 18850 1 705 . 1 1 63 63 ILE HB H 1 1.541 0.020 . 1 . . . A 49 ILE HB . 18850 1 706 . 1 1 63 63 ILE HG12 H 1 1.289 0.020 . 1 . . . A 49 ILE HG12 . 18850 1 707 . 1 1 63 63 ILE HG13 H 1 0.718 0.020 . 1 . . . A 49 ILE HG13 . 18850 1 708 . 1 1 63 63 ILE HG21 H 1 0.758 0.020 . 1 . . . A 49 ILE HG21 . 18850 1 709 . 1 1 63 63 ILE HG22 H 1 0.758 0.020 . 1 . . . A 49 ILE HG22 . 18850 1 710 . 1 1 63 63 ILE HG23 H 1 0.758 0.020 . 1 . . . A 49 ILE HG23 . 18850 1 711 . 1 1 63 63 ILE HD11 H 1 0.715 0.020 . 1 . . . A 49 ILE HD11 . 18850 1 712 . 1 1 63 63 ILE HD12 H 1 0.715 0.020 . 1 . . . A 49 ILE HD12 . 18850 1 713 . 1 1 63 63 ILE HD13 H 1 0.715 0.020 . 1 . . . A 49 ILE HD13 . 18850 1 714 . 1 1 63 63 ILE C C 13 176.092 0.200 . 1 . . . A 49 ILE C . 18850 1 715 . 1 1 63 63 ILE CA C 13 59.214 0.200 . 1 . . . A 49 ILE CA . 18850 1 716 . 1 1 63 63 ILE CB C 13 41.469 0.200 . 1 . . . A 49 ILE CB . 18850 1 717 . 1 1 63 63 ILE CG1 C 13 27.094 0.200 . 1 . . . A 49 ILE CG1 . 18850 1 718 . 1 1 63 63 ILE CG2 C 13 17.160 0.200 . 1 . . . A 49 ILE CG2 . 18850 1 719 . 1 1 63 63 ILE CD1 C 13 14.405 0.200 . 1 . . . A 49 ILE CD1 . 18850 1 720 . 1 1 63 63 ILE N N 15 118.516 0.200 . 1 . . . A 49 ILE N . 18850 1 721 . 1 1 64 64 GLU H H 1 9.208 0.020 . 1 . . . A 50 GLU H . 18850 1 722 . 1 1 64 64 GLU HA H 1 4.498 0.020 . 1 . . . A 50 GLU HA . 18850 1 723 . 1 1 64 64 GLU HB2 H 1 1.842 0.020 . 2 . . . A 50 GLU HB2 . 18850 1 724 . 1 1 64 64 GLU HB3 H 1 1.928 0.020 . 2 . . . A 50 GLU HB3 . 18850 1 725 . 1 1 64 64 GLU HG2 H 1 2.212 0.020 . 2 . . . A 50 GLU HG2 . 18850 1 726 . 1 1 64 64 GLU HG3 H 1 2.044 0.020 . 2 . . . A 50 GLU HG3 . 18850 1 727 . 1 1 64 64 GLU C C 13 175.116 0.200 . 1 . . . A 50 GLU C . 18850 1 728 . 1 1 64 64 GLU CA C 13 56.169 0.200 . 1 . . . A 50 GLU CA . 18850 1 729 . 1 1 64 64 GLU CB C 13 34.051 0.200 . 1 . . . A 50 GLU CB . 18850 1 730 . 1 1 64 64 GLU CG C 13 36.157 0.200 . 1 . . . A 50 GLU CG . 18850 1 731 . 1 1 64 64 GLU N N 15 127.173 0.200 . 1 . . . A 50 GLU N . 18850 1 732 . 1 1 65 65 ASP H H 1 9.539 0.020 . 1 . . . A 51 ASP H . 18850 1 733 . 1 1 65 65 ASP HA H 1 4.294 0.020 . 1 . . . A 51 ASP HA . 18850 1 734 . 1 1 65 65 ASP HB2 H 1 2.985 0.020 . 2 . . . A 51 ASP HB2 . 18850 1 735 . 1 1 65 65 ASP HB3 H 1 2.579 0.020 . 2 . . . A 51 ASP HB3 . 18850 1 736 . 1 1 65 65 ASP C C 13 175.986 0.200 . 1 . . . A 51 ASP C . 18850 1 737 . 1 1 65 65 ASP CA C 13 55.480 0.200 . 1 . . . A 51 ASP CA . 18850 1 738 . 1 1 65 65 ASP CB C 13 39.612 0.200 . 1 . . . A 51 ASP CB . 18850 1 739 . 1 1 65 65 ASP N N 15 129.393 0.200 . 1 . . . A 51 ASP N . 18850 1 740 . 1 1 66 66 GLY H H 1 8.255 0.020 . 1 . . . A 52 GLY H . 18850 1 741 . 1 1 66 66 GLY HA2 H 1 4.063 0.020 . 2 . . . A 52 GLY HA2 . 18850 1 742 . 1 1 66 66 GLY HA3 H 1 3.469 0.020 . 2 . . . A 52 GLY HA3 . 18850 1 743 . 1 1 66 66 GLY C C 13 172.377 0.200 . 1 . . . A 52 GLY C . 18850 1 744 . 1 1 66 66 GLY CA C 13 45.800 0.200 . 1 . . . A 52 GLY CA . 18850 1 745 . 1 1 66 66 GLY N N 15 102.951 0.200 . 1 . . . A 52 GLY N . 18850 1 746 . 1 1 67 67 GLU H H 1 7.542 0.020 . 1 . . . A 53 GLU H . 18850 1 747 . 1 1 67 67 GLU HA H 1 4.791 0.020 . 1 . . . A 53 GLU HA . 18850 1 748 . 1 1 67 67 GLU HB2 H 1 1.734 0.020 . 2 . . . A 53 GLU HB2 . 18850 1 749 . 1 1 67 67 GLU HB3 H 1 2.190 0.020 . 2 . . . A 53 GLU HB3 . 18850 1 750 . 1 1 67 67 GLU HG2 H 1 2.417 0.020 . 2 . . . A 53 GLU HG2 . 18850 1 751 . 1 1 67 67 GLU HG3 H 1 2.241 0.020 . 2 . . . A 53 GLU HG3 . 18850 1 752 . 1 1 67 67 GLU C C 13 174.634 0.200 . 1 . . . A 53 GLU C . 18850 1 753 . 1 1 67 67 GLU CA C 13 53.522 0.200 . 1 . . . A 53 GLU CA . 18850 1 754 . 1 1 67 67 GLU CB C 13 33.433 0.200 . 1 . . . A 53 GLU CB . 18850 1 755 . 1 1 67 67 GLU CG C 13 35.649 0.200 . 1 . . . A 53 GLU CG . 18850 1 756 . 1 1 67 67 GLU N N 15 119.826 0.200 . 1 . . . A 53 GLU N . 18850 1 757 . 1 1 68 68 VAL H H 1 8.828 0.020 . 1 . . . A 54 VAL H . 18850 1 758 . 1 1 68 68 VAL HA H 1 3.827 0.020 . 1 . . . A 54 VAL HA . 18850 1 759 . 1 1 68 68 VAL HB H 1 1.842 0.020 . 1 . . . A 54 VAL HB . 18850 1 760 . 1 1 68 68 VAL HG11 H 1 1.052 0.020 . 2 . . . A 54 VAL HG11 . 18850 1 761 . 1 1 68 68 VAL HG12 H 1 1.052 0.020 . 2 . . . A 54 VAL HG12 . 18850 1 762 . 1 1 68 68 VAL HG13 H 1 1.052 0.020 . 2 . . . A 54 VAL HG13 . 18850 1 763 . 1 1 68 68 VAL HG21 H 1 0.851 0.020 . 2 . . . A 54 VAL HG21 . 18850 1 764 . 1 1 68 68 VAL HG22 H 1 0.851 0.020 . 2 . . . A 54 VAL HG22 . 18850 1 765 . 1 1 68 68 VAL HG23 H 1 0.851 0.020 . 2 . . . A 54 VAL HG23 . 18850 1 766 . 1 1 68 68 VAL C C 13 177.173 0.200 . 1 . . . A 54 VAL C . 18850 1 767 . 1 1 68 68 VAL CA C 13 64.435 0.200 . 1 . . . A 54 VAL CA . 18850 1 768 . 1 1 68 68 VAL CB C 13 31.344 0.200 . 1 . . . A 54 VAL CB . 18850 1 769 . 1 1 68 68 VAL CG1 C 13 21.873 0.200 . 2 . . . A 54 VAL CG1 . 18850 1 770 . 1 1 68 68 VAL CG2 C 13 21.801 0.200 . 2 . . . A 54 VAL CG2 . 18850 1 771 . 1 1 68 68 VAL N N 15 122.950 0.200 . 1 . . . A 54 VAL N . 18850 1 772 . 1 1 69 69 LYS H H 1 8.510 0.020 . 1 . . . A 55 LYS H . 18850 1 773 . 1 1 69 69 LYS HA H 1 4.108 0.020 . 1 . . . A 55 LYS HA . 18850 1 774 . 1 1 69 69 LYS HB2 H 1 1.741 0.020 . 2 . . . A 55 LYS HB2 . 18850 1 775 . 1 1 69 69 LYS HB3 H 1 1.113 0.020 . 2 . . . A 55 LYS HB3 . 18850 1 776 . 1 1 69 69 LYS HG2 H 1 1.513 0.020 . 2 . . . A 55 LYS HG2 . 18850 1 777 . 1 1 69 69 LYS HG3 H 1 1.480 0.020 . 2 . . . A 55 LYS HG3 . 18850 1 778 . 1 1 69 69 LYS HD2 H 1 1.611 0.020 . 2 . . . A 55 LYS HD2 . 18850 1 779 . 1 1 69 69 LYS HD3 H 1 1.471 0.020 . 2 . . . A 55 LYS HD3 . 18850 1 780 . 1 1 69 69 LYS HE2 H 1 3.108 0.020 . 2 . . . A 55 LYS HE2 . 18850 1 781 . 1 1 69 69 LYS HE3 H 1 3.109 0.020 . 2 . . . A 55 LYS HE3 . 18850 1 782 . 1 1 69 69 LYS C C 13 173.830 0.200 . 1 . . . A 55 LYS C . 18850 1 783 . 1 1 69 69 LYS CA C 13 55.180 0.200 . 1 . . . A 55 LYS CA . 18850 1 784 . 1 1 69 69 LYS CB C 13 33.343 0.200 . 1 . . . A 55 LYS CB . 18850 1 785 . 1 1 69 69 LYS CG C 13 24.710 0.200 . 1 . . . A 55 LYS CG . 18850 1 786 . 1 1 69 69 LYS CD C 13 30.043 0.200 . 1 . . . A 55 LYS CD . 18850 1 787 . 1 1 69 69 LYS CE C 13 42.230 0.200 . 1 . . . A 55 LYS CE . 18850 1 788 . 1 1 69 69 LYS N N 15 101.377 0.200 . 1 . . . A 55 LYS N . 18850 1 789 . 1 1 70 70 PRO HA H 1 4.061 0.020 . 1 . . . A 56 PRO HA . 18850 1 790 . 1 1 70 70 PRO HB2 H 1 1.933 0.020 . 2 . . . A 56 PRO HB2 . 18850 1 791 . 1 1 70 70 PRO HB3 H 1 1.580 0.020 . 2 . . . A 56 PRO HB3 . 18850 1 792 . 1 1 70 70 PRO HG2 H 1 2.055 0.020 . 2 . . . A 56 PRO HG2 . 18850 1 793 . 1 1 70 70 PRO HG3 H 1 1.910 0.020 . 2 . . . A 56 PRO HG3 . 18850 1 794 . 1 1 70 70 PRO HD2 H 1 3.493 0.020 . 2 . . . A 56 PRO HD2 . 18850 1 795 . 1 1 70 70 PRO HD3 H 1 3.963 0.020 . 2 . . . A 56 PRO HD3 . 18850 1 796 . 1 1 70 70 PRO C C 13 176.656 0.200 . 1 . . . A 56 PRO C . 18850 1 797 . 1 1 70 70 PRO CA C 13 64.652 0.200 . 1 . . . A 56 PRO CA . 18850 1 798 . 1 1 70 70 PRO CB C 13 31.622 0.200 . 1 . . . A 56 PRO CB . 18850 1 799 . 1 1 70 70 PRO CG C 13 27.891 0.200 . 1 . . . A 56 PRO CG . 18850 1 800 . 1 1 70 70 PRO CD C 13 51.094 0.200 . 1 . . . A 56 PRO CD . 18850 1 801 . 1 1 71 71 HIS H H 1 8.291 0.020 . 1 . . . A 57 HIS H . 18850 1 802 . 1 1 71 71 HIS HA H 1 4.136 0.020 . 1 . . . A 57 HIS HA . 18850 1 803 . 1 1 71 71 HIS HB2 H 1 3.337 0.020 . 2 . . . A 57 HIS HB2 . 18850 1 804 . 1 1 71 71 HIS HB3 H 1 3.672 0.020 . 2 . . . A 57 HIS HB3 . 18850 1 805 . 1 1 71 71 HIS HD2 H 1 6.998 0.020 . 1 . . . A 57 HIS HD2 . 18850 1 806 . 1 1 71 71 HIS HE1 H 1 8.065 0.020 . 1 . . . A 57 HIS HE1 . 18850 1 807 . 1 1 71 71 HIS C C 13 174.364 0.200 . 1 . . . A 57 HIS C . 18850 1 808 . 1 1 71 71 HIS CA C 13 58.321 0.200 . 1 . . . A 57 HIS CA . 18850 1 809 . 1 1 71 71 HIS CB C 13 27.884 0.200 . 1 . . . A 57 HIS CB . 18850 1 810 . 1 1 71 71 HIS CD2 C 13 119.743 0.200 . 1 . . . A 57 HIS CD2 . 18850 1 811 . 1 1 71 71 HIS CE1 C 13 137.866 0.200 . 1 . . . A 57 HIS CE1 . 18850 1 812 . 1 1 71 71 HIS N N 15 113.983 0.200 . 1 . . . A 57 HIS N . 18850 1 813 . 1 1 72 72 VAL H H 1 7.827 0.020 . 1 . . . A 58 VAL H . 18850 1 814 . 1 1 72 72 VAL HA H 1 4.132 0.020 . 1 . . . A 58 VAL HA . 18850 1 815 . 1 1 72 72 VAL HB H 1 2.467 0.020 . 1 . . . A 58 VAL HB . 18850 1 816 . 1 1 72 72 VAL HG11 H 1 1.289 0.020 . 2 . . . A 58 VAL HG11 . 18850 1 817 . 1 1 72 72 VAL HG12 H 1 1.289 0.020 . 2 . . . A 58 VAL HG12 . 18850 1 818 . 1 1 72 72 VAL HG13 H 1 1.289 0.020 . 2 . . . A 58 VAL HG13 . 18850 1 819 . 1 1 72 72 VAL HG21 H 1 1.126 0.020 . 2 . . . A 58 VAL HG21 . 18850 1 820 . 1 1 72 72 VAL HG22 H 1 1.126 0.020 . 2 . . . A 58 VAL HG22 . 18850 1 821 . 1 1 72 72 VAL HG23 H 1 1.126 0.020 . 2 . . . A 58 VAL HG23 . 18850 1 822 . 1 1 72 72 VAL C C 13 175.351 0.200 . 1 . . . A 58 VAL C . 18850 1 823 . 1 1 72 72 VAL CA C 13 63.383 0.200 . 1 . . . A 58 VAL CA . 18850 1 824 . 1 1 72 72 VAL CB C 13 31.882 0.200 . 1 . . . A 58 VAL CB . 18850 1 825 . 1 1 72 72 VAL CG1 C 13 23.903 0.200 . 2 . . . A 58 VAL CG1 . 18850 1 826 . 1 1 72 72 VAL CG2 C 13 21.156 0.200 . 2 . . . A 58 VAL CG2 . 18850 1 827 . 1 1 72 72 VAL N N 15 122.302 0.200 . 1 . . . A 58 VAL N . 18850 1 828 . 1 1 73 73 ASN H H 1 8.456 0.020 . 1 . . . A 59 ASN H . 18850 1 829 . 1 1 73 73 ASN HA H 1 5.190 0.020 . 1 . . . A 59 ASN HA . 18850 1 830 . 1 1 73 73 ASN HB2 H 1 2.478 0.020 . 2 . . . A 59 ASN HB2 . 18850 1 831 . 1 1 73 73 ASN HB3 H 1 2.521 0.020 . 2 . . . A 59 ASN HB3 . 18850 1 832 . 1 1 73 73 ASN HD21 H 1 6.676 0.020 . 2 . . . A 59 ASN HD21 . 18850 1 833 . 1 1 73 73 ASN HD22 H 1 6.933 0.020 . 2 . . . A 59 ASN HD22 . 18850 1 834 . 1 1 73 73 ASN C C 13 173.588 0.200 . 1 . . . A 59 ASN C . 18850 1 835 . 1 1 73 73 ASN CA C 13 51.879 0.200 . 1 . . . A 59 ASN CA . 18850 1 836 . 1 1 73 73 ASN CB C 13 40.784 0.200 . 1 . . . A 59 ASN CB . 18850 1 837 . 1 1 73 73 ASN N N 15 126.310 0.200 . 1 . . . A 59 ASN N . 18850 1 838 . 1 1 73 73 ASN ND2 N 15 110.177 0.200 . 1 . . . A 59 ASN ND2 . 18850 1 839 . 1 1 74 74 VAL H H 1 8.116 0.020 . 1 . . . A 60 VAL H . 18850 1 840 . 1 1 74 74 VAL HA H 1 5.247 0.020 . 1 . . . A 60 VAL HA . 18850 1 841 . 1 1 74 74 VAL HB H 1 1.986 0.020 . 1 . . . A 60 VAL HB . 18850 1 842 . 1 1 74 74 VAL HG11 H 1 1.027 0.020 . 2 . . . A 60 VAL HG11 . 18850 1 843 . 1 1 74 74 VAL HG12 H 1 1.027 0.020 . 2 . . . A 60 VAL HG12 . 18850 1 844 . 1 1 74 74 VAL HG13 H 1 1.027 0.020 . 2 . . . A 60 VAL HG13 . 18850 1 845 . 1 1 74 74 VAL HG21 H 1 0.822 0.020 . 2 . . . A 60 VAL HG21 . 18850 1 846 . 1 1 74 74 VAL HG22 H 1 0.822 0.020 . 2 . . . A 60 VAL HG22 . 18850 1 847 . 1 1 74 74 VAL HG23 H 1 0.822 0.020 . 2 . . . A 60 VAL HG23 . 18850 1 848 . 1 1 74 74 VAL C C 13 174.893 0.200 . 1 . . . A 60 VAL C . 18850 1 849 . 1 1 74 74 VAL CA C 13 60.701 0.200 . 1 . . . A 60 VAL CA . 18850 1 850 . 1 1 74 74 VAL CB C 13 33.570 0.200 . 1 . . . A 60 VAL CB . 18850 1 851 . 1 1 74 74 VAL CG1 C 13 22.425 0.200 . 2 . . . A 60 VAL CG1 . 18850 1 852 . 1 1 74 74 VAL CG2 C 13 21.583 0.200 . 2 . . . A 60 VAL CG2 . 18850 1 853 . 1 1 74 74 VAL N N 15 124.311 0.200 . 1 . . . A 60 VAL N . 18850 1 854 . 1 1 75 75 LEU H H 1 9.312 0.020 . 1 . . . A 61 LEU H . 18850 1 855 . 1 1 75 75 LEU HA H 1 5.247 0.020 . 1 . . . A 61 LEU HA . 18850 1 856 . 1 1 75 75 LEU HB2 H 1 1.799 0.020 . 2 . . . A 61 LEU HB2 . 18850 1 857 . 1 1 75 75 LEU HB3 H 1 1.093 0.020 . 2 . . . A 61 LEU HB3 . 18850 1 858 . 1 1 75 75 LEU HG H 1 1.502 0.020 . 1 . . . A 61 LEU HG . 18850 1 859 . 1 1 75 75 LEU HD11 H 1 0.822 0.020 . 2 . . . A 61 LEU HD11 . 18850 1 860 . 1 1 75 75 LEU HD12 H 1 0.822 0.020 . 2 . . . A 61 LEU HD12 . 18850 1 861 . 1 1 75 75 LEU HD13 H 1 0.822 0.020 . 2 . . . A 61 LEU HD13 . 18850 1 862 . 1 1 75 75 LEU HD21 H 1 0.673 0.020 . 2 . . . A 61 LEU HD21 . 18850 1 863 . 1 1 75 75 LEU HD22 H 1 0.673 0.020 . 2 . . . A 61 LEU HD22 . 18850 1 864 . 1 1 75 75 LEU HD23 H 1 0.673 0.020 . 2 . . . A 61 LEU HD23 . 18850 1 865 . 1 1 75 75 LEU C C 13 175.868 0.200 . 1 . . . A 61 LEU C . 18850 1 866 . 1 1 75 75 LEU CA C 13 52.906 0.200 . 1 . . . A 61 LEU CA . 18850 1 867 . 1 1 75 75 LEU CB C 13 44.458 0.200 . 1 . . . A 61 LEU CB . 18850 1 868 . 1 1 75 75 LEU CG C 13 28.011 0.200 . 1 . . . A 61 LEU CG . 18850 1 869 . 1 1 75 75 LEU CD1 C 13 25.789 0.200 . 2 . . . A 61 LEU CD1 . 18850 1 870 . 1 1 75 75 LEU CD2 C 13 23.976 0.200 . 2 . . . A 61 LEU CD2 . 18850 1 871 . 1 1 75 75 LEU N N 15 126.125 0.200 . 1 . . . A 61 LEU N . 18850 1 872 . 1 1 76 76 LYS H H 1 9.120 0.020 . 1 . . . A 62 LYS H . 18850 1 873 . 1 1 76 76 LYS HA H 1 4.877 0.020 . 1 . . . A 62 LYS HA . 18850 1 874 . 1 1 76 76 LYS HB2 H 1 1.729 0.020 . 2 . . . A 62 LYS HB2 . 18850 1 875 . 1 1 76 76 LYS HB3 H 1 1.275 0.020 . 2 . . . A 62 LYS HB3 . 18850 1 876 . 1 1 76 76 LYS HG2 H 1 1.155 0.020 . 2 . . . A 62 LYS HG2 . 18850 1 877 . 1 1 76 76 LYS HG3 H 1 0.961 0.020 . 2 . . . A 62 LYS HG3 . 18850 1 878 . 1 1 76 76 LYS HD2 H 1 1.501 0.020 . 2 . . . A 62 LYS HD2 . 18850 1 879 . 1 1 76 76 LYS HD3 H 1 1.756 0.020 . 2 . . . A 62 LYS HD3 . 18850 1 880 . 1 1 76 76 LYS HE2 H 1 3.199 0.020 . 2 . . . A 62 LYS HE2 . 18850 1 881 . 1 1 76 76 LYS HE3 H 1 2.839 0.020 . 2 . . . A 62 LYS HE3 . 18850 1 882 . 1 1 76 76 LYS C C 13 176.139 0.200 . 1 . . . A 62 LYS C . 18850 1 883 . 1 1 76 76 LYS CA C 13 54.719 0.200 . 1 . . . A 62 LYS CA . 18850 1 884 . 1 1 76 76 LYS CB C 13 34.653 0.200 . 1 . . . A 62 LYS CB . 18850 1 885 . 1 1 76 76 LYS CG C 13 26.151 0.200 . 1 . . . A 62 LYS CG . 18850 1 886 . 1 1 76 76 LYS CD C 13 30.356 0.200 . 1 . . . A 62 LYS CD . 18850 1 887 . 1 1 76 76 LYS CE C 13 42.320 0.200 . 1 . . . A 62 LYS CE . 18850 1 888 . 1 1 76 76 LYS N N 15 121.151 0.200 . 1 . . . A 62 LYS N . 18850 1 889 . 1 1 77 77 ASN H H 1 9.844 0.020 . 1 . . . A 63 ASN H . 18850 1 890 . 1 1 77 77 ASN HA H 1 4.494 0.020 . 1 . . . A 63 ASN HA . 18850 1 891 . 1 1 77 77 ASN HB2 H 1 3.013 0.020 . 2 . . . A 63 ASN HB2 . 18850 1 892 . 1 1 77 77 ASN HB3 H 1 3.013 0.020 . 2 . . . A 63 ASN HB3 . 18850 1 893 . 1 1 77 77 ASN C C 13 175.492 0.200 . 1 . . . A 63 ASN C . 18850 1 894 . 1 1 77 77 ASN CA C 13 54.501 0.200 . 1 . . . A 63 ASN CA . 18850 1 895 . 1 1 77 77 ASN CB C 13 37.234 0.200 . 1 . . . A 63 ASN CB . 18850 1 896 . 1 1 77 77 ASN N N 15 128.748 0.200 . 1 . . . A 63 ASN N . 18850 1 897 . 1 1 78 78 GLY H H 1 8.052 0.020 . 1 . . . A 64 GLY H . 18850 1 898 . 1 1 78 78 GLY HA2 H 1 4.238 0.020 . 2 . . . A 64 GLY HA2 . 18850 1 899 . 1 1 78 78 GLY HA3 H 1 3.597 0.020 . 2 . . . A 64 GLY HA3 . 18850 1 900 . 1 1 78 78 GLY C C 13 173.106 0.200 . 1 . . . A 64 GLY C . 18850 1 901 . 1 1 78 78 GLY CA C 13 45.764 0.200 . 1 . . . A 64 GLY CA . 18850 1 902 . 1 1 78 78 GLY N N 15 101.502 0.200 . 1 . . . A 64 GLY N . 18850 1 903 . 1 1 79 79 ARG H H 1 7.951 0.020 . 1 . . . A 65 ARG H . 18850 1 904 . 1 1 79 79 ARG HA H 1 4.689 0.020 . 1 . . . A 65 ARG HA . 18850 1 905 . 1 1 79 79 ARG HB2 H 1 2.000 0.020 . 2 . . . A 65 ARG HB2 . 18850 1 906 . 1 1 79 79 ARG HB3 H 1 1.856 0.020 . 2 . . . A 65 ARG HB3 . 18850 1 907 . 1 1 79 79 ARG HG2 H 1 1.785 0.020 . 2 . . . A 65 ARG HG2 . 18850 1 908 . 1 1 79 79 ARG HG3 H 1 1.708 0.020 . 2 . . . A 65 ARG HG3 . 18850 1 909 . 1 1 79 79 ARG HD2 H 1 3.339 0.020 . 2 . . . A 65 ARG HD2 . 18850 1 910 . 1 1 79 79 ARG HD3 H 1 3.242 0.020 . 2 . . . A 65 ARG HD3 . 18850 1 911 . 1 1 79 79 ARG C C 13 175.328 0.200 . 1 . . . A 65 ARG C . 18850 1 912 . 1 1 79 79 ARG CA C 13 54.211 0.200 . 1 . . . A 65 ARG CA . 18850 1 913 . 1 1 79 79 ARG CB C 13 32.167 0.200 . 1 . . . A 65 ARG CB . 18850 1 914 . 1 1 79 79 ARG CG C 13 26.742 0.200 . 1 . . . A 65 ARG CG . 18850 1 915 . 1 1 79 79 ARG CD C 13 43.335 0.200 . 1 . . . A 65 ARG CD . 18850 1 916 . 1 1 79 79 ARG N N 15 121.729 0.200 . 1 . . . A 65 ARG N . 18850 1 917 . 1 1 80 80 GLU H H 1 9.505 0.020 . 1 . . . A 66 GLU H . 18850 1 918 . 1 1 80 80 GLU HA H 1 4.409 0.020 . 1 . . . A 66 GLU HA . 18850 1 919 . 1 1 80 80 GLU HB2 H 1 2.147 0.020 . 2 . . . A 66 GLU HB2 . 18850 1 920 . 1 1 80 80 GLU HB3 H 1 2.001 0.020 . 2 . . . A 66 GLU HB3 . 18850 1 921 . 1 1 80 80 GLU HG2 H 1 2.391 0.020 . 2 . . . A 66 GLU HG2 . 18850 1 922 . 1 1 80 80 GLU HG3 H 1 2.395 0.020 . 2 . . . A 66 GLU HG3 . 18850 1 923 . 1 1 80 80 GLU C C 13 179.312 0.200 . 1 . . . A 66 GLU C . 18850 1 924 . 1 1 80 80 GLU CA C 13 57.945 0.200 . 1 . . . A 66 GLU CA . 18850 1 925 . 1 1 80 80 GLU CB C 13 29.977 0.200 . 1 . . . A 66 GLU CB . 18850 1 926 . 1 1 80 80 GLU CG C 13 36.810 0.200 . 1 . . . A 66 GLU CG . 18850 1 927 . 1 1 80 80 GLU N N 15 127.198 0.200 . 1 . . . A 66 GLU N . 18850 1 928 . 1 1 81 81 VAL H H 1 8.523 0.020 . 1 . . . A 67 VAL H . 18850 1 929 . 1 1 81 81 VAL HA H 1 4.095 0.020 . 1 . . . A 67 VAL HA . 18850 1 930 . 1 1 81 81 VAL HB H 1 2.474 0.020 . 1 . . . A 67 VAL HB . 18850 1 931 . 1 1 81 81 VAL HG11 H 1 1.092 0.020 . 2 . . . A 67 VAL HG11 . 18850 1 932 . 1 1 81 81 VAL HG12 H 1 1.092 0.020 . 2 . . . A 67 VAL HG12 . 18850 1 933 . 1 1 81 81 VAL HG13 H 1 1.092 0.020 . 2 . . . A 67 VAL HG13 . 18850 1 934 . 1 1 81 81 VAL HG21 H 1 0.973 0.020 . 2 . . . A 67 VAL HG21 . 18850 1 935 . 1 1 81 81 VAL HG22 H 1 0.973 0.020 . 2 . . . A 67 VAL HG22 . 18850 1 936 . 1 1 81 81 VAL HG23 H 1 0.973 0.020 . 2 . . . A 67 VAL HG23 . 18850 1 937 . 1 1 81 81 VAL C C 13 179.019 0.200 . 1 . . . A 67 VAL C . 18850 1 938 . 1 1 81 81 VAL CA C 13 65.160 0.200 . 1 . . . A 67 VAL CA . 18850 1 939 . 1 1 81 81 VAL CB C 13 31.047 0.200 . 1 . . . A 67 VAL CB . 18850 1 940 . 1 1 81 81 VAL CG1 C 13 22.679 0.200 . 2 . . . A 67 VAL CG1 . 18850 1 941 . 1 1 81 81 VAL CG2 C 13 18.755 0.200 . 2 . . . A 67 VAL CG2 . 18850 1 942 . 1 1 81 81 VAL N N 15 117.696 0.200 . 1 . . . A 67 VAL N . 18850 1 943 . 1 1 82 82 VAL H H 1 7.958 0.020 . 1 . . . A 68 VAL H . 18850 1 944 . 1 1 82 82 VAL HA H 1 4.014 0.020 . 1 . . . A 68 VAL HA . 18850 1 945 . 1 1 82 82 VAL HB H 1 2.119 0.020 . 1 . . . A 68 VAL HB . 18850 1 946 . 1 1 82 82 VAL HG11 H 1 0.769 0.020 . 2 . . . A 68 VAL HG11 . 18850 1 947 . 1 1 82 82 VAL HG12 H 1 0.769 0.020 . 2 . . . A 68 VAL HG12 . 18850 1 948 . 1 1 82 82 VAL HG13 H 1 0.769 0.020 . 2 . . . A 68 VAL HG13 . 18850 1 949 . 1 1 82 82 VAL HG21 H 1 0.582 0.020 . 2 . . . A 68 VAL HG21 . 18850 1 950 . 1 1 82 82 VAL HG22 H 1 0.582 0.020 . 2 . . . A 68 VAL HG22 . 18850 1 951 . 1 1 82 82 VAL HG23 H 1 0.582 0.020 . 2 . . . A 68 VAL HG23 . 18850 1 952 . 1 1 82 82 VAL C C 13 176.104 0.200 . 1 . . . A 68 VAL C . 18850 1 953 . 1 1 82 82 VAL CA C 13 64.067 0.200 . 1 . . . A 68 VAL CA . 18850 1 954 . 1 1 82 82 VAL CB C 13 30.867 0.200 . 1 . . . A 68 VAL CB . 18850 1 955 . 1 1 82 82 VAL CG1 C 13 20.394 0.200 . 2 . . . A 68 VAL CG1 . 18850 1 956 . 1 1 82 82 VAL CG2 C 13 19.625 0.200 . 2 . . . A 68 VAL CG2 . 18850 1 957 . 1 1 82 82 VAL N N 15 121.124 0.200 . 1 . . . A 68 VAL N . 18850 1 958 . 1 1 83 83 HIS H H 1 7.347 0.020 . 1 . . . A 69 HIS H . 18850 1 959 . 1 1 83 83 HIS HA H 1 4.897 0.020 . 1 . . . A 69 HIS HA . 18850 1 960 . 1 1 83 83 HIS HB2 H 1 3.482 0.020 . 2 . . . A 69 HIS HB2 . 18850 1 961 . 1 1 83 83 HIS HB3 H 1 3.041 0.020 . 2 . . . A 69 HIS HB3 . 18850 1 962 . 1 1 83 83 HIS HD2 H 1 7.113 0.020 . 1 . . . A 69 HIS HD2 . 18850 1 963 . 1 1 83 83 HIS HE1 H 1 7.867 0.020 . 1 . . . A 69 HIS HE1 . 18850 1 964 . 1 1 83 83 HIS C C 13 175.034 0.200 . 1 . . . A 69 HIS C . 18850 1 965 . 1 1 83 83 HIS CA C 13 55.734 0.200 . 1 . . . A 69 HIS CA . 18850 1 966 . 1 1 83 83 HIS CB C 13 30.639 0.200 . 1 . . . A 69 HIS CB . 18850 1 967 . 1 1 83 83 HIS CD2 C 13 118.923 0.200 . 1 . . . A 69 HIS CD2 . 18850 1 968 . 1 1 83 83 HIS CE1 C 13 138.700 0.200 . 1 . . . A 69 HIS CE1 . 18850 1 969 . 1 1 83 83 HIS N N 15 117.992 0.200 . 1 . . . A 69 HIS N . 18850 1 970 . 1 1 84 84 LEU H H 1 7.475 0.020 . 1 . . . A 70 LEU H . 18850 1 971 . 1 1 84 84 LEU HA H 1 4.742 0.020 . 1 . . . A 70 LEU HA . 18850 1 972 . 1 1 84 84 LEU HB2 H 1 1.753 0.020 . 2 . . . A 70 LEU HB2 . 18850 1 973 . 1 1 84 84 LEU HB3 H 1 1.996 0.020 . 2 . . . A 70 LEU HB3 . 18850 1 974 . 1 1 84 84 LEU HG H 1 1.033 0.020 . 1 . . . A 70 LEU HG . 18850 1 975 . 1 1 84 84 LEU HD11 H 1 0.962 0.020 . 2 . . . A 70 LEU HD11 . 18850 1 976 . 1 1 84 84 LEU HD12 H 1 0.962 0.020 . 2 . . . A 70 LEU HD12 . 18850 1 977 . 1 1 84 84 LEU HD13 H 1 0.962 0.020 . 2 . . . A 70 LEU HD13 . 18850 1 978 . 1 1 84 84 LEU HD21 H 1 0.958 0.020 . 2 . . . A 70 LEU HD21 . 18850 1 979 . 1 1 84 84 LEU HD22 H 1 0.958 0.020 . 2 . . . A 70 LEU HD22 . 18850 1 980 . 1 1 84 84 LEU HD23 H 1 0.958 0.020 . 2 . . . A 70 LEU HD23 . 18850 1 981 . 1 1 84 84 LEU C C 13 175.116 0.200 . 1 . . . A 70 LEU C . 18850 1 982 . 1 1 84 84 LEU CA C 13 53.631 0.200 . 1 . . . A 70 LEU CA . 18850 1 983 . 1 1 84 84 LEU CB C 13 39.893 0.200 . 1 . . . A 70 LEU CB . 18850 1 984 . 1 1 84 84 LEU CG C 13 27.250 0.200 . 1 . . . A 70 LEU CG . 18850 1 985 . 1 1 84 84 LEU CD1 C 13 22.432 0.200 . 2 . . . A 70 LEU CD1 . 18850 1 986 . 1 1 84 84 LEU CD2 C 13 22.425 0.200 . 2 . . . A 70 LEU CD2 . 18850 1 987 . 1 1 84 84 LEU N N 15 123.360 0.200 . 1 . . . A 70 LEU N . 18850 1 988 . 1 1 85 85 ASP H H 1 7.776 0.020 . 1 . . . A 71 ASP H . 18850 1 989 . 1 1 85 85 ASP HA H 1 5.231 0.020 . 1 . . . A 71 ASP HA . 18850 1 990 . 1 1 85 85 ASP HB2 H 1 2.869 0.020 . 2 . . . A 71 ASP HB2 . 18850 1 991 . 1 1 85 85 ASP HB3 H 1 2.104 0.020 . 2 . . . A 71 ASP HB3 . 18850 1 992 . 1 1 85 85 ASP C C 13 176.809 0.200 . 1 . . . A 71 ASP C . 18850 1 993 . 1 1 85 85 ASP CA C 13 53.051 0.200 . 1 . . . A 71 ASP CA . 18850 1 994 . 1 1 85 85 ASP CB C 13 42.738 0.200 . 1 . . . A 71 ASP CB . 18850 1 995 . 1 1 85 85 ASP N N 15 120.898 0.200 . 1 . . . A 71 ASP N . 18850 1 996 . 1 1 86 86 GLY H H 1 8.044 0.020 . 1 . . . A 72 GLY H . 18850 1 997 . 1 1 86 86 GLY HA2 H 1 4.116 0.020 . 2 . . . A 72 GLY HA2 . 18850 1 998 . 1 1 86 86 GLY HA3 H 1 3.390 0.020 . 2 . . . A 72 GLY HA3 . 18850 1 999 . 1 1 86 86 GLY C C 13 178.008 0.200 . 1 . . . A 72 GLY C . 18850 1 1000 . 1 1 86 86 GLY CA C 13 46.547 0.200 . 1 . . . A 72 GLY CA . 18850 1 1001 . 1 1 86 86 GLY N N 15 107.726 0.200 . 1 . . . A 72 GLY N . 18850 1 1002 . 1 1 87 87 MET H H 1 9.771 0.020 . 1 . . . A 73 MET H . 18850 1 1003 . 1 1 87 87 MET HA H 1 3.943 0.020 . 1 . . . A 73 MET HA . 18850 1 1004 . 1 1 87 87 MET HB2 H 1 2.248 0.020 . 2 . . . A 73 MET HB2 . 18850 1 1005 . 1 1 87 87 MET HB3 H 1 2.009 0.020 . 2 . . . A 73 MET HB3 . 18850 1 1006 . 1 1 87 87 MET HG2 H 1 3.041 0.020 . 2 . . . A 73 MET HG2 . 18850 1 1007 . 1 1 87 87 MET HG3 H 1 2.634 0.020 . 2 . . . A 73 MET HG3 . 18850 1 1008 . 1 1 87 87 MET HE1 H 1 1.831 0.020 . 1 . . . A 73 MET HE1 . 18850 1 1009 . 1 1 87 87 MET HE2 H 1 1.831 0.020 . 1 . . . A 73 MET HE2 . 18850 1 1010 . 1 1 87 87 MET HE3 H 1 1.831 0.020 . 1 . . . A 73 MET HE3 . 18850 1 1011 . 1 1 87 87 MET C C 13 176.538 0.200 . 1 . . . A 73 MET C . 18850 1 1012 . 1 1 87 87 MET CA C 13 57.148 0.200 . 1 . . . A 73 MET CA . 18850 1 1013 . 1 1 87 87 MET CB C 13 33.100 0.200 . 1 . . . A 73 MET CB . 18850 1 1014 . 1 1 87 87 MET CG C 13 32.242 0.200 . 1 . . . A 73 MET CG . 18850 1 1015 . 1 1 87 87 MET CE C 13 17.855 0.200 . 1 . . . A 73 MET CE . 18850 1 1016 . 1 1 87 87 MET N N 15 126.964 0.200 . 1 . . . A 73 MET N . 18850 1 1017 . 1 1 88 88 ALA H H 1 7.615 0.020 . 1 . . . A 74 ALA H . 18850 1 1018 . 1 1 88 88 ALA HA H 1 4.433 0.020 . 1 . . . A 74 ALA HA . 18850 1 1019 . 1 1 88 88 ALA HB1 H 1 1.541 0.020 . 1 . . . A 74 ALA HB1 . 18850 1 1020 . 1 1 88 88 ALA HB2 H 1 1.541 0.020 . 1 . . . A 74 ALA HB2 . 18850 1 1021 . 1 1 88 88 ALA HB3 H 1 1.541 0.020 . 1 . . . A 74 ALA HB3 . 18850 1 1022 . 1 1 88 88 ALA C C 13 176.198 0.200 . 1 . . . A 74 ALA C . 18850 1 1023 . 1 1 88 88 ALA CA C 13 51.906 0.200 . 1 . . . A 74 ALA CA . 18850 1 1024 . 1 1 88 88 ALA CB C 13 18.429 0.200 . 1 . . . A 74 ALA CB . 18850 1 1025 . 1 1 88 88 ALA N N 15 118.820 0.200 . 1 . . . A 74 ALA N . 18850 1 1026 . 1 1 89 89 THR H H 1 7.232 0.020 . 1 . . . A 75 THR H . 18850 1 1027 . 1 1 89 89 THR HA H 1 3.924 0.020 . 1 . . . A 75 THR HA . 18850 1 1028 . 1 1 89 89 THR HB H 1 3.951 0.020 . 1 . . . A 75 THR HB . 18850 1 1029 . 1 1 89 89 THR HG21 H 1 1.472 0.020 . 1 . . . A 75 THR HG21 . 18850 1 1030 . 1 1 89 89 THR HG22 H 1 1.472 0.020 . 1 . . . A 75 THR HG22 . 18850 1 1031 . 1 1 89 89 THR HG23 H 1 1.472 0.020 . 1 . . . A 75 THR HG23 . 18850 1 1032 . 1 1 89 89 THR C C 13 172.789 0.200 . 1 . . . A 75 THR C . 18850 1 1033 . 1 1 89 89 THR CA C 13 65.591 0.200 . 1 . . . A 75 THR CA . 18850 1 1034 . 1 1 89 89 THR CB C 13 69.653 0.200 . 1 . . . A 75 THR CB . 18850 1 1035 . 1 1 89 89 THR CG2 C 13 22.453 0.200 . 1 . . . A 75 THR CG2 . 18850 1 1036 . 1 1 89 89 THR N N 15 116.102 0.200 . 1 . . . A 75 THR N . 18850 1 1037 . 1 1 90 90 ALA H H 1 8.659 0.020 . 1 . . . A 76 ALA H . 18850 1 1038 . 1 1 90 90 ALA HA H 1 4.230 0.020 . 1 . . . A 76 ALA HA . 18850 1 1039 . 1 1 90 90 ALA HB1 H 1 1.462 0.020 . 1 . . . A 76 ALA HB1 . 18850 1 1040 . 1 1 90 90 ALA HB2 H 1 1.462 0.020 . 1 . . . A 76 ALA HB2 . 18850 1 1041 . 1 1 90 90 ALA HB3 H 1 1.462 0.020 . 1 . . . A 76 ALA HB3 . 18850 1 1042 . 1 1 90 90 ALA C C 13 176.221 0.200 . 1 . . . A 76 ALA C . 18850 1 1043 . 1 1 90 90 ALA CA C 13 52.133 0.200 . 1 . . . A 76 ALA CA . 18850 1 1044 . 1 1 90 90 ALA CB C 13 19.946 0.200 . 1 . . . A 76 ALA CB . 18850 1 1045 . 1 1 90 90 ALA N N 15 100.620 0.200 . 1 . . . A 76 ALA N . 18850 1 1046 . 1 1 91 91 LEU H H 1 7.929 0.020 . 1 . . . A 77 LEU H . 18850 1 1047 . 1 1 91 91 LEU HA H 1 4.624 0.020 . 1 . . . A 77 LEU HA . 18850 1 1048 . 1 1 91 91 LEU HB2 H 1 1.587 0.020 . 2 . . . A 77 LEU HB2 . 18850 1 1049 . 1 1 91 91 LEU HB3 H 1 1.332 0.020 . 2 . . . A 77 LEU HB3 . 18850 1 1050 . 1 1 91 91 LEU HG H 1 1.508 0.020 . 1 . . . A 77 LEU HG . 18850 1 1051 . 1 1 91 91 LEU HD11 H 1 0.801 0.020 . 2 . . . A 77 LEU HD11 . 18850 1 1052 . 1 1 91 91 LEU HD12 H 1 0.801 0.020 . 2 . . . A 77 LEU HD12 . 18850 1 1053 . 1 1 91 91 LEU HD13 H 1 0.801 0.020 . 2 . . . A 77 LEU HD13 . 18850 1 1054 . 1 1 91 91 LEU HD21 H 1 0.639 0.020 . 2 . . . A 77 LEU HD21 . 18850 1 1055 . 1 1 91 91 LEU HD22 H 1 0.639 0.020 . 2 . . . A 77 LEU HD22 . 18850 1 1056 . 1 1 91 91 LEU HD23 H 1 0.639 0.020 . 2 . . . A 77 LEU HD23 . 18850 1 1057 . 1 1 91 91 LEU C C 13 173.435 0.200 . 1 . . . A 77 LEU C . 18850 1 1058 . 1 1 91 91 LEU CA C 13 53.403 0.200 . 1 . . . A 77 LEU CA . 18850 1 1059 . 1 1 91 91 LEU CB C 13 46.685 0.200 . 1 . . . A 77 LEU CB . 18850 1 1060 . 1 1 91 91 LEU CG C 13 26.996 0.200 . 1 . . . A 77 LEU CG . 18850 1 1061 . 1 1 91 91 LEU CD1 C 13 23.695 0.200 . 2 . . . A 77 LEU CD1 . 18850 1 1062 . 1 1 91 91 LEU CD2 C 13 26.742 0.200 . 2 . . . A 77 LEU CD2 . 18850 1 1063 . 1 1 91 91 LEU N N 15 120.277 0.200 . 1 . . . A 77 LEU N . 18850 1 1064 . 1 1 92 92 ASP H H 1 8.944 0.020 . 1 . . . A 78 ASP H . 18850 1 1065 . 1 1 92 92 ASP HA H 1 5.043 0.020 . 1 . . . A 78 ASP HA . 18850 1 1066 . 1 1 92 92 ASP HB2 H 1 2.623 0.020 . 2 . . . A 78 ASP HB2 . 18850 1 1067 . 1 1 92 92 ASP HB3 H 1 2.356 0.020 . 2 . . . A 78 ASP HB3 . 18850 1 1068 . 1 1 92 92 ASP C C 13 174.634 0.200 . 1 . . . A 78 ASP C . 18850 1 1069 . 1 1 92 92 ASP CA C 13 52.979 0.200 . 1 . . . A 78 ASP CA . 18850 1 1070 . 1 1 92 92 ASP CB C 13 45.522 0.200 . 1 . . . A 78 ASP CB . 18850 1 1071 . 1 1 92 92 ASP N N 15 120.357 0.200 . 1 . . . A 78 ASP N . 18850 1 1072 . 1 1 93 93 ASP H H 1 8.285 0.020 . 1 . . . A 79 ASP H . 18850 1 1073 . 1 1 93 93 ASP HA H 1 4.323 0.020 . 1 . . . A 79 ASP HA . 18850 1 1074 . 1 1 93 93 ASP HB2 H 1 2.625 0.020 . 2 . . . A 79 ASP HB2 . 18850 1 1075 . 1 1 93 93 ASP HB3 H 1 2.761 0.020 . 2 . . . A 79 ASP HB3 . 18850 1 1076 . 1 1 93 93 ASP C C 13 177.655 0.200 . 1 . . . A 79 ASP C . 18850 1 1077 . 1 1 93 93 ASP CA C 13 56.459 0.200 . 1 . . . A 79 ASP CA . 18850 1 1078 . 1 1 93 93 ASP CB C 13 42.309 0.200 . 1 . . . A 79 ASP CB . 18850 1 1079 . 1 1 93 93 ASP N N 15 116.839 0.200 . 1 . . . A 79 ASP N . 18850 1 1080 . 1 1 94 94 GLY H H 1 9.336 0.020 . 1 . . . A 80 GLY H . 18850 1 1081 . 1 1 94 94 GLY HA2 H 1 4.374 0.020 . 2 . . . A 80 GLY HA2 . 18850 1 1082 . 1 1 94 94 GLY HA3 H 1 3.811 0.020 . 2 . . . A 80 GLY HA3 . 18850 1 1083 . 1 1 94 94 GLY C C 13 174.893 0.200 . 1 . . . A 80 GLY C . 18850 1 1084 . 1 1 94 94 GLY CA C 13 45.111 0.200 . 1 . . . A 80 GLY CA . 18850 1 1085 . 1 1 94 94 GLY N N 15 115.504 0.200 . 1 . . . A 80 GLY N . 18850 1 1086 . 1 1 95 95 ASP H H 1 8.211 0.020 . 1 . . . A 81 ASP H . 18850 1 1087 . 1 1 95 95 ASP HA H 1 4.840 0.020 . 1 . . . A 81 ASP HA . 18850 1 1088 . 1 1 95 95 ASP HB2 H 1 2.977 0.020 . 2 . . . A 81 ASP HB2 . 18850 1 1089 . 1 1 95 95 ASP HB3 H 1 2.269 0.020 . 2 . . . A 81 ASP HB3 . 18850 1 1090 . 1 1 95 95 ASP C C 13 174.082 0.200 . 1 . . . A 81 ASP C . 18850 1 1091 . 1 1 95 95 ASP CA C 13 55.734 0.200 . 1 . . . A 81 ASP CA . 18850 1 1092 . 1 1 95 95 ASP CB C 13 42.288 0.200 . 1 . . . A 81 ASP CB . 18850 1 1093 . 1 1 95 95 ASP N N 15 122.009 0.200 . 1 . . . A 81 ASP N . 18850 1 1094 . 1 1 96 96 ALA H H 1 8.381 0.020 . 1 . . . A 82 ALA H . 18850 1 1095 . 1 1 96 96 ALA HA H 1 5.756 0.020 . 1 . . . A 82 ALA HA . 18850 1 1096 . 1 1 96 96 ALA HB1 H 1 1.239 0.020 . 1 . . . A 82 ALA HB1 . 18850 1 1097 . 1 1 96 96 ALA HB2 H 1 1.239 0.020 . 1 . . . A 82 ALA HB2 . 18850 1 1098 . 1 1 96 96 ALA HB3 H 1 1.239 0.020 . 1 . . . A 82 ALA HB3 . 18850 1 1099 . 1 1 96 96 ALA C C 13 177.890 0.200 . 1 . . . A 82 ALA C . 18850 1 1100 . 1 1 96 96 ALA CA C 13 49.353 0.200 . 1 . . . A 82 ALA CA . 18850 1 1101 . 1 1 96 96 ALA CB C 13 20.604 0.200 . 1 . . . A 82 ALA CB . 18850 1 1102 . 1 1 96 96 ALA N N 15 119.417 0.200 . 1 . . . A 82 ALA N . 18850 1 1103 . 1 1 97 97 VAL H H 1 9.275 0.020 . 1 . . . A 83 VAL H . 18850 1 1104 . 1 1 97 97 VAL HA H 1 5.182 0.020 . 1 . . . A 83 VAL HA . 18850 1 1105 . 1 1 97 97 VAL HB H 1 1.892 0.020 . 1 . . . A 83 VAL HB . 18850 1 1106 . 1 1 97 97 VAL HG11 H 1 0.808 0.020 . 2 . . . A 83 VAL HG11 . 18850 1 1107 . 1 1 97 97 VAL HG12 H 1 0.808 0.020 . 2 . . . A 83 VAL HG12 . 18850 1 1108 . 1 1 97 97 VAL HG13 H 1 0.808 0.020 . 2 . . . A 83 VAL HG13 . 18850 1 1109 . 1 1 97 97 VAL HG21 H 1 0.668 0.020 . 2 . . . A 83 VAL HG21 . 18850 1 1110 . 1 1 97 97 VAL HG22 H 1 0.668 0.020 . 2 . . . A 83 VAL HG22 . 18850 1 1111 . 1 1 97 97 VAL HG23 H 1 0.668 0.020 . 2 . . . A 83 VAL HG23 . 18850 1 1112 . 1 1 97 97 VAL C C 13 174.987 0.200 . 1 . . . A 83 VAL C . 18850 1 1113 . 1 1 97 97 VAL CA C 13 60.084 0.200 . 1 . . . A 83 VAL CA . 18850 1 1114 . 1 1 97 97 VAL CB C 13 33.574 0.200 . 1 . . . A 83 VAL CB . 18850 1 1115 . 1 1 97 97 VAL CG1 C 13 22.171 0.200 . 2 . . . A 83 VAL CG1 . 18850 1 1116 . 1 1 97 97 VAL CG2 C 13 20.394 0.200 . 2 . . . A 83 VAL CG2 . 18850 1 1117 . 1 1 97 97 VAL N N 15 127.546 0.200 . 1 . . . A 83 VAL N . 18850 1 1118 . 1 1 98 98 SER H H 1 8.877 0.020 . 1 . . . A 84 SER H . 18850 1 1119 . 1 1 98 98 SER HA H 1 5.373 0.020 . 1 . . . A 84 SER HA . 18850 1 1120 . 1 1 98 98 SER HB2 H 1 3.804 0.020 . 2 . . . A 84 SER HB2 . 18850 1 1121 . 1 1 98 98 SER HB3 H 1 3.740 0.020 . 2 . . . A 84 SER HB3 . 18850 1 1122 . 1 1 98 98 SER C C 13 173.165 0.200 . 1 . . . A 84 SER C . 18850 1 1123 . 1 1 98 98 SER CA C 13 56.967 0.200 . 1 . . . A 84 SER CA . 18850 1 1124 . 1 1 98 98 SER CB C 13 65.083 0.200 . 1 . . . A 84 SER CB . 18850 1 1125 . 1 1 98 98 SER N N 15 121.871 0.200 . 1 . . . A 84 SER N . 18850 1 1126 . 1 1 99 99 VAL H H 1 8.711 0.020 . 1 . . . A 85 VAL H . 18850 1 1127 . 1 1 99 99 VAL HA H 1 4.844 0.020 . 1 . . . A 85 VAL HA . 18850 1 1128 . 1 1 99 99 VAL HB H 1 2.079 0.020 . 1 . . . A 85 VAL HB . 18850 1 1129 . 1 1 99 99 VAL HG11 H 1 0.916 0.020 . 2 . . . A 85 VAL HG11 . 18850 1 1130 . 1 1 99 99 VAL HG12 H 1 0.916 0.020 . 2 . . . A 85 VAL HG12 . 18850 1 1131 . 1 1 99 99 VAL HG13 H 1 0.916 0.020 . 2 . . . A 85 VAL HG13 . 18850 1 1132 . 1 1 99 99 VAL HG21 H 1 0.611 0.020 . 2 . . . A 85 VAL HG21 . 18850 1 1133 . 1 1 99 99 VAL HG22 H 1 0.611 0.020 . 2 . . . A 85 VAL HG22 . 18850 1 1134 . 1 1 99 99 VAL HG23 H 1 0.611 0.020 . 2 . . . A 85 VAL HG23 . 18850 1 1135 . 1 1 99 99 VAL C C 13 173.953 0.200 . 1 . . . A 85 VAL C . 18850 1 1136 . 1 1 99 99 VAL CA C 13 61.897 0.200 . 1 . . . A 85 VAL CA . 18850 1 1137 . 1 1 99 99 VAL CB C 13 33.433 0.200 . 1 . . . A 85 VAL CB . 18850 1 1138 . 1 1 99 99 VAL CG1 C 13 22.816 0.200 . 2 . . . A 85 VAL CG1 . 18850 1 1139 . 1 1 99 99 VAL CG2 C 13 20.133 0.200 . 2 . . . A 85 VAL CG2 . 18850 1 1140 . 1 1 99 99 VAL N N 15 122.351 0.200 . 1 . . . A 85 VAL N . 18850 1 1141 . 1 1 100 100 PHE H H 1 9.174 0.020 . 1 . . . A 86 PHE H . 18850 1 1142 . 1 1 100 100 PHE HA H 1 5.227 0.020 . 1 . . . A 86 PHE HA . 18850 1 1143 . 1 1 100 100 PHE HB2 H 1 3.131 0.020 . 2 . . . A 86 PHE HB2 . 18850 1 1144 . 1 1 100 100 PHE HB3 H 1 3.128 0.020 . 2 . . . A 86 PHE HB3 . 18850 1 1145 . 1 1 100 100 PHE HD1 H 1 7.057 0.020 . 3 . . . A 86 PHE HD1 . 18850 1 1146 . 1 1 100 100 PHE HD2 H 1 7.057 0.020 . 3 . . . A 86 PHE HD2 . 18850 1 1147 . 1 1 100 100 PHE HE1 H 1 6.612 0.020 . 3 . . . A 86 PHE HE1 . 18850 1 1148 . 1 1 100 100 PHE HE2 H 1 6.612 0.020 . 3 . . . A 86 PHE HE2 . 18850 1 1149 . 1 1 100 100 PHE HZ H 1 6.460 0.020 . 1 . . . A 86 PHE HZ . 18850 1 1150 . 1 1 100 100 PHE C C 13 173.500 0.200 . 1 . . . A 86 PHE C . 18850 1 1151 . 1 1 100 100 PHE CA C 13 54.164 0.200 . 1 . . . A 86 PHE CA . 18850 1 1152 . 1 1 100 100 PHE CB C 13 40.707 0.200 . 1 . . . A 86 PHE CB . 18850 1 1153 . 1 1 100 100 PHE CD1 C 13 131.429 0.200 . 3 . . . A 86 PHE CD1 . 18850 1 1154 . 1 1 100 100 PHE CD2 C 13 131.429 0.200 . 3 . . . A 86 PHE CD2 . 18850 1 1155 . 1 1 100 100 PHE CE1 C 13 130.888 0.200 . 3 . . . A 86 PHE CE1 . 18850 1 1156 . 1 1 100 100 PHE CE2 C 13 130.888 0.200 . 3 . . . A 86 PHE CE2 . 18850 1 1157 . 1 1 100 100 PHE CZ C 13 129.083 0.200 . 1 . . . A 86 PHE CZ . 18850 1 1158 . 1 1 100 100 PHE N N 15 124.445 0.200 . 1 . . . A 86 PHE N . 18850 1 1159 . 1 1 101 101 PRO HA H 1 4.424 0.020 . 1 . . . A 87 PRO HA . 18850 1 1160 . 1 1 101 101 PRO HB2 H 1 0.446 0.020 . 2 . . . A 87 PRO HB2 . 18850 1 1161 . 1 1 101 101 PRO HB3 H 1 1.646 0.020 . 2 . . . A 87 PRO HB3 . 18850 1 1162 . 1 1 101 101 PRO HG2 H 1 1.914 0.020 . 2 . . . A 87 PRO HG2 . 18850 1 1163 . 1 1 101 101 PRO HG3 H 1 1.465 0.020 . 2 . . . A 87 PRO HG3 . 18850 1 1164 . 1 1 101 101 PRO HD2 H 1 3.602 0.020 . 2 . . . A 87 PRO HD2 . 18850 1 1165 . 1 1 101 101 PRO HD3 H 1 3.783 0.020 . 2 . . . A 87 PRO HD3 . 18850 1 1166 . 1 1 101 101 PRO CA C 13 61.528 0.200 . 1 . . . A 87 PRO CA . 18850 1 1167 . 1 1 101 101 PRO CB C 13 29.027 0.200 . 1 . . . A 87 PRO CB . 18850 1 1168 . 1 1 101 101 PRO CG C 13 26.742 0.200 . 1 . . . A 87 PRO CG . 18850 1 1169 . 1 1 101 101 PRO CD C 13 50.356 0.200 . 1 . . . A 87 PRO CD . 18850 1 1170 . 1 1 102 102 PRO HA H 1 4.533 0.020 . 1 . . . A 88 PRO HA . 18850 1 1171 . 1 1 102 102 PRO HB2 H 1 2.270 0.020 . 2 . . . A 88 PRO HB2 . 18850 1 1172 . 1 1 102 102 PRO HB3 H 1 1.777 0.020 . 2 . . . A 88 PRO HB3 . 18850 1 1173 . 1 1 102 102 PRO HG2 H 1 1.903 0.020 . 2 . . . A 88 PRO HG2 . 18850 1 1174 . 1 1 102 102 PRO HG3 H 1 2.073 0.020 . 2 . . . A 88 PRO HG3 . 18850 1 1175 . 1 1 102 102 PRO HD2 H 1 3.662 0.020 . 2 . . . A 88 PRO HD2 . 18850 1 1176 . 1 1 102 102 PRO HD3 H 1 3.432 0.020 . 2 . . . A 88 PRO HD3 . 18850 1 1177 . 1 1 102 102 PRO C C 13 177.397 0.200 . 1 . . . A 88 PRO C . 18850 1 1178 . 1 1 102 102 PRO CA C 13 62.767 0.200 . 1 . . . A 88 PRO CA . 18850 1 1179 . 1 1 102 102 PRO CB C 13 32.024 0.200 . 1 . . . A 88 PRO CB . 18850 1 1180 . 1 1 102 102 PRO CG C 13 27.819 0.200 . 1 . . . A 88 PRO CG . 18850 1 1181 . 1 1 102 102 PRO CD C 13 50.513 0.200 . 1 . . . A 88 PRO CD . 18850 1 1182 . 1 1 103 103 VAL H H 1 8.331 0.020 . 1 . . . A 89 VAL H . 18850 1 1183 . 1 1 103 103 VAL HA H 1 4.002 0.020 . 1 . . . A 89 VAL HA . 18850 1 1184 . 1 1 103 103 VAL HB H 1 2.050 0.020 . 1 . . . A 89 VAL HB . 18850 1 1185 . 1 1 103 103 VAL HG11 H 1 0.944 0.020 . 2 . . . A 89 VAL HG11 . 18850 1 1186 . 1 1 103 103 VAL HG12 H 1 0.944 0.020 . 2 . . . A 89 VAL HG12 . 18850 1 1187 . 1 1 103 103 VAL HG13 H 1 0.944 0.020 . 2 . . . A 89 VAL HG13 . 18850 1 1188 . 1 1 103 103 VAL HG21 H 1 0.966 0.020 . 2 . . . A 89 VAL HG21 . 18850 1 1189 . 1 1 103 103 VAL HG22 H 1 0.966 0.020 . 2 . . . A 89 VAL HG22 . 18850 1 1190 . 1 1 103 103 VAL HG23 H 1 0.966 0.020 . 2 . . . A 89 VAL HG23 . 18850 1 1191 . 1 1 103 103 VAL C C 13 176.198 0.200 . 1 . . . A 89 VAL C . 18850 1 1192 . 1 1 103 103 VAL CA C 13 62.544 0.200 . 1 . . . A 89 VAL CA . 18850 1 1193 . 1 1 103 103 VAL CB C 13 32.544 0.200 . 1 . . . A 89 VAL CB . 18850 1 1194 . 1 1 103 103 VAL CG1 C 13 20.786 0.200 . 2 . . . A 89 VAL CG1 . 18850 1 1195 . 1 1 103 103 VAL CG2 C 13 20.423 0.200 . 2 . . . A 89 VAL CG2 . 18850 1 1196 . 1 1 103 103 VAL N N 15 122.083 0.200 . 1 . . . A 89 VAL N . 18850 1 1197 . 1 1 104 104 ALA H H 1 8.332 0.020 . 1 . . . A 90 ALA H . 18850 1 1198 . 1 1 104 104 ALA HA H 1 4.331 0.020 . 1 . . . A 90 ALA HA . 18850 1 1199 . 1 1 104 104 ALA HB1 H 1 1.365 0.020 . 1 . . . A 90 ALA HB1 . 18850 1 1200 . 1 1 104 104 ALA HB2 H 1 1.365 0.020 . 1 . . . A 90 ALA HB2 . 18850 1 1201 . 1 1 104 104 ALA HB3 H 1 1.365 0.020 . 1 . . . A 90 ALA HB3 . 18850 1 1202 . 1 1 104 104 ALA C C 13 177.878 0.200 . 1 . . . A 90 ALA C . 18850 1 1203 . 1 1 104 104 ALA CA C 13 52.508 0.200 . 1 . . . A 90 ALA CA . 18850 1 1204 . 1 1 104 104 ALA CB C 13 19.263 0.200 . 1 . . . A 90 ALA CB . 18850 1 1205 . 1 1 104 104 ALA N N 15 127.234 0.200 . 1 . . . A 90 ALA N . 18850 1 1206 . 1 1 105 105 GLY H H 1 8.267 0.020 . 1 . . . A 91 GLY H . 18850 1 1207 . 1 1 105 105 GLY HA2 H 1 3.876 0.020 . 2 . . . A 91 GLY HA2 . 18850 1 1208 . 1 1 105 105 GLY HA3 H 1 3.885 0.020 . 2 . . . A 91 GLY HA3 . 18850 1 1209 . 1 1 105 105 GLY C C 13 173.694 0.200 . 1 . . . A 91 GLY C . 18850 1 1210 . 1 1 105 105 GLY CA C 13 45.220 0.200 . 1 . . . A 91 GLY CA . 18850 1 1211 . 1 1 105 105 GLY N N 15 109.104 0.200 . 1 . . . A 91 GLY N . 18850 1 1212 . 1 1 106 106 GLY H H 1 7.887 0.020 . 1 . . . A 92 GLY H . 18850 1 1213 . 1 1 106 106 GLY HA2 H 1 3.754 0.020 . 2 . . . A 92 GLY HA2 . 18850 1 1214 . 1 1 106 106 GLY HA3 H 1 3.715 0.020 . 2 . . . A 92 GLY HA3 . 18850 1 1215 . 1 1 106 106 GLY C C 13 179.107 0.200 . 1 . . . A 92 GLY C . 18850 1 1216 . 1 1 106 106 GLY CA C 13 45.785 0.200 . 1 . . . A 92 GLY CA . 18850 1 1217 . 1 1 106 106 GLY N N 15 115.054 0.200 . 1 . . . A 92 GLY N . 18850 1 stop_ save_