data_6957 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6957 _Entry.Title ; Solution structure of the SCAN homodimer from MZF-1/ZNF42 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-27 _Entry.Accession_date 2006-01-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Volkman . F. . 6957 2 F. Peterson . C. . 6957 3 T. Sander . L. . 6957 4 J. Waltner . K. . 6957 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6957 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 6957 '15N chemical shifts' 93 6957 '1H chemical shifts' 653 6957 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 3 . . 2009-06-29 2006-01-27 update BMRB 'added time domain data' 6957 2 . . 2007-01-04 2006-01-27 update author 'update the entry citation' 6957 1 . . 2006-03-29 2006-01-27 original author 'original release' 6957 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6957 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16950398 _Citation.Full_citation . _Citation.Title 'Structure of the SCAN domain from the tumor suppressor protein MZF1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 363 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 137 _Citation.Page_last 147 _Citation.Year 2006 _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 F. Peterson . C. . 6957 1 2 P. Hayes . L. . 6957 1 3 J. Waltner . K. . 6957 1 4 A. Heisner . K. . 6957 1 5 D. Jensen . R. . 6957 1 6 T. Sander . L. . 6957 1 7 B. Volkman . F. . 6957 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Center for Eukaryotic Structural Genomics' 6957 1 CESG 6957 1 homodimer 6957 1 MZF-1 6957 1 'Protein Structure Initiative' 6957 1 PSI 6957 1 'SCAN domain' 6957 1 'Structural Genomics' 6957 1 'transcription factor' 6957 1 Znf-42 6957 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6957 _Assembly.ID 1 _Assembly.Name SCAN _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 6957 1 stop_ 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 'SCAN subunit 1' 1 $entity . . . native . . . . . 6957 1 2 'SCAN subunit 2' 1 $entity . . . native . . . . . 6957 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2FI2 . . . . . . 6957 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SCAN abbreviation 6957 1 SCAN system 6957 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 6957 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SCAN _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDPGPEAARLRFRCFHYEE ATGPQEALAQLRELCRQWLR PEVRSKEQMLELLVLEQFLG ALPPEIQARVQGQRPGSPEE AAALVDGLRREPGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FI2 . "Solution Structure Of The Scan Homodimer From Mzf-1ZNF42" . . . . . 100.00 94 100.00 100.00 3.49e-57 . . . . 6957 1 2 no DBJ BAD92718 . "zinc finger protein 42 isoform 2 variant [Homo sapiens]" . . . . . 97.87 238 98.91 98.91 3.57e-53 . . . . 6957 1 3 no GB AAD55809 . "zinc finger protein 42 [Homo sapiens]" . . . . . 97.87 734 100.00 100.00 5.81e-51 . . . . 6957 1 4 no GB AAD55810 . "zinc finger protein 42 [Homo sapiens]" . . . . . 97.87 734 100.00 100.00 5.81e-51 . . . . 6957 1 5 no GB AAF80465 . "myeloid zinc finger protein 1 splice variant [Homo sapiens]" . . . . . 97.87 734 100.00 100.00 5.81e-51 . . . . 6957 1 6 no GB AAH07777 . "Myeloid zinc finger 1 [Homo sapiens]" . . . . . 97.87 734 98.91 98.91 9.94e-50 . . . . 6957 1 7 no GB AAH53316 . "MZF1 protein [Homo sapiens]" . . . . . 97.87 290 100.00 100.00 4.82e-54 . . . . 6957 1 8 no REF NP_001253962 . "myeloid zinc finger 1 isoform 2 [Homo sapiens]" . . . . . 97.87 290 98.91 98.91 1.18e-52 . . . . 6957 1 9 no REF NP_003413 . "myeloid zinc finger 1 isoform 1 [Homo sapiens]" . . . . . 97.87 734 98.91 98.91 9.94e-50 . . . . 6957 1 10 no REF NP_932172 . "myeloid zinc finger 1 isoform 1 [Homo sapiens]" . . . . . 97.87 734 98.91 98.91 9.94e-50 . . . . 6957 1 11 no REF XP_001099728 . "PREDICTED: myeloid zinc finger 1-like isoform 1 [Macaca mulatta]" . . . . . 96.81 734 97.80 98.90 1.51e-48 . . . . 6957 1 12 no REF XP_001099833 . "PREDICTED: myeloid zinc finger 1-like isoform 2 [Macaca mulatta]" . . . . . 96.81 734 97.80 98.90 1.51e-48 . . . . 6957 1 13 no SP P28698 . "RecName: Full=Myeloid zinc finger 1; Short=MZF-1; AltName: Full=Zinc finger and SCAN domain-containing protein 6; AltName: Full" . . . . . 97.87 734 98.91 98.91 9.94e-50 . . . . 6957 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SCAN abbreviation 6957 1 SCAN common 6957 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 35 GLY . 6957 1 2 36 SER . 6957 1 3 37 ASP . 6957 1 4 38 PRO . 6957 1 5 39 GLY . 6957 1 6 40 PRO . 6957 1 7 41 GLU . 6957 1 8 42 ALA . 6957 1 9 43 ALA . 6957 1 10 44 ARG . 6957 1 11 45 LEU . 6957 1 12 46 ARG . 6957 1 13 47 PHE . 6957 1 14 48 ARG . 6957 1 15 49 CYS . 6957 1 16 50 PHE . 6957 1 17 51 HIS . 6957 1 18 52 TYR . 6957 1 19 53 GLU . 6957 1 20 54 GLU . 6957 1 21 55 ALA . 6957 1 22 56 THR . 6957 1 23 57 GLY . 6957 1 24 58 PRO . 6957 1 25 59 GLN . 6957 1 26 60 GLU . 6957 1 27 61 ALA . 6957 1 28 62 LEU . 6957 1 29 63 ALA . 6957 1 30 64 GLN . 6957 1 31 65 LEU . 6957 1 32 66 ARG . 6957 1 33 67 GLU . 6957 1 34 68 LEU . 6957 1 35 69 CYS . 6957 1 36 70 ARG . 6957 1 37 71 GLN . 6957 1 38 72 TRP . 6957 1 39 73 LEU . 6957 1 40 74 ARG . 6957 1 41 75 PRO . 6957 1 42 76 GLU . 6957 1 43 77 VAL . 6957 1 44 78 ARG . 6957 1 45 79 SER . 6957 1 46 80 LYS . 6957 1 47 81 GLU . 6957 1 48 82 GLN . 6957 1 49 83 MET . 6957 1 50 84 LEU . 6957 1 51 85 GLU . 6957 1 52 86 LEU . 6957 1 53 87 LEU . 6957 1 54 88 VAL . 6957 1 55 89 LEU . 6957 1 56 90 GLU . 6957 1 57 91 GLN . 6957 1 58 92 PHE . 6957 1 59 93 LEU . 6957 1 60 94 GLY . 6957 1 61 95 ALA . 6957 1 62 96 LEU . 6957 1 63 97 PRO . 6957 1 64 98 PRO . 6957 1 65 99 GLU . 6957 1 66 100 ILE . 6957 1 67 101 GLN . 6957 1 68 102 ALA . 6957 1 69 103 ARG . 6957 1 70 104 VAL . 6957 1 71 105 GLN . 6957 1 72 106 GLY . 6957 1 73 107 GLN . 6957 1 74 108 ARG . 6957 1 75 109 PRO . 6957 1 76 110 GLY . 6957 1 77 111 SER . 6957 1 78 112 PRO . 6957 1 79 113 GLU . 6957 1 80 114 GLU . 6957 1 81 115 ALA . 6957 1 82 116 ALA . 6957 1 83 117 ALA . 6957 1 84 118 LEU . 6957 1 85 119 VAL . 6957 1 86 120 ASP . 6957 1 87 121 GLY . 6957 1 88 122 LEU . 6957 1 89 123 ARG . 6957 1 90 124 ARG . 6957 1 91 125 GLU . 6957 1 92 126 PRO . 6957 1 93 127 GLY . 6957 1 94 128 GLY . 6957 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 6957 1 . SER 2 2 6957 1 . ASP 3 3 6957 1 . PRO 4 4 6957 1 . GLY 5 5 6957 1 . PRO 6 6 6957 1 . GLU 7 7 6957 1 . ALA 8 8 6957 1 . ALA 9 9 6957 1 . ARG 10 10 6957 1 . LEU 11 11 6957 1 . ARG 12 12 6957 1 . PHE 13 13 6957 1 . ARG 14 14 6957 1 . CYS 15 15 6957 1 . PHE 16 16 6957 1 . HIS 17 17 6957 1 . TYR 18 18 6957 1 . GLU 19 19 6957 1 . GLU 20 20 6957 1 . ALA 21 21 6957 1 . THR 22 22 6957 1 . GLY 23 23 6957 1 . PRO 24 24 6957 1 . GLN 25 25 6957 1 . GLU 26 26 6957 1 . ALA 27 27 6957 1 . LEU 28 28 6957 1 . ALA 29 29 6957 1 . GLN 30 30 6957 1 . LEU 31 31 6957 1 . ARG 32 32 6957 1 . GLU 33 33 6957 1 . LEU 34 34 6957 1 . CYS 35 35 6957 1 . ARG 36 36 6957 1 . GLN 37 37 6957 1 . TRP 38 38 6957 1 . LEU 39 39 6957 1 . ARG 40 40 6957 1 . PRO 41 41 6957 1 . GLU 42 42 6957 1 . VAL 43 43 6957 1 . ARG 44 44 6957 1 . SER 45 45 6957 1 . LYS 46 46 6957 1 . GLU 47 47 6957 1 . GLN 48 48 6957 1 . MET 49 49 6957 1 . LEU 50 50 6957 1 . GLU 51 51 6957 1 . LEU 52 52 6957 1 . LEU 53 53 6957 1 . VAL 54 54 6957 1 . LEU 55 55 6957 1 . GLU 56 56 6957 1 . GLN 57 57 6957 1 . PHE 58 58 6957 1 . LEU 59 59 6957 1 . GLY 60 60 6957 1 . ALA 61 61 6957 1 . LEU 62 62 6957 1 . PRO 63 63 6957 1 . PRO 64 64 6957 1 . GLU 65 65 6957 1 . ILE 66 66 6957 1 . GLN 67 67 6957 1 . ALA 68 68 6957 1 . ARG 69 69 6957 1 . VAL 70 70 6957 1 . GLN 71 71 6957 1 . GLY 72 72 6957 1 . GLN 73 73 6957 1 . ARG 74 74 6957 1 . PRO 75 75 6957 1 . GLY 76 76 6957 1 . SER 77 77 6957 1 . PRO 78 78 6957 1 . GLU 79 79 6957 1 . GLU 80 80 6957 1 . ALA 81 81 6957 1 . ALA 82 82 6957 1 . ALA 83 83 6957 1 . LEU 84 84 6957 1 . VAL 85 85 6957 1 . ASP 86 86 6957 1 . GLY 87 87 6957 1 . LEU 88 88 6957 1 . ARG 89 89 6957 1 . ARG 90 90 6957 1 . GLU 91 91 6957 1 . PRO 92 92 6957 1 . GLY 93 93 6957 1 . GLY 94 94 6957 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 6957 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6957 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 6957 _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 $entity . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6957 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6957 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 SCAN '[U-15N; U-13C]' . . 1 $entity . . 2 . . mM . . . . 6957 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6957 1 3 NaCl . . . . . . . 50 . . mM . . . . 6957 1 4 H2O . . . . . . . 90 . . % . . . . 6957 1 5 D2O . . . . . . . 10 . . % . . . . 6957 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6957 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 SCAN '[U-15N; U-13C]' . . 1 $entity . . 1.7 . . mM . . . . 6957 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6957 2 3 NaCl . . . . . . . 50 . . mM . . . . 6957 2 4 H2O . . . . . . . 90 . . % . . . . 6957 2 5 D2O . . . . . . . 10 . . % . . . . 6957 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6957 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 99 . mM 6957 1 pH 7.4 . pH 6957 1 pressure 1 . atm 6957 1 temperature 298 . K 6957 1 stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6957 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3. _Software.Details 'SCHWIETERS, C.D., KUSZEWSKI, J.J., TJANDRA, N., CLORE, G.M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6957 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6957 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6957 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2004 _Software.Details . save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 6957 _Software.ID 4 _Software.Name SPSCAN _Software.Version 1.1.0 _Software.Details . save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6957 _Software.ID 5 _Software.Name XEASY _Software.Version 1.3 _Software.Details . save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 6957 _Software.ID 6 _Software.Name GARANT _Software.Version 2.1 _Software.Details . save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6957 _Software.ID 7 _Software.Name CYANA _Software.Version 2.1 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6957 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6957 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 6957 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 6957 _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 '3D 15N-separated NOESY' yes 1 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6957 1 2 '3D 13C-separated NOESY' yes 2 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6957 1 3 '3D 13C-separated NOESY (AROMATIC)' yes 3 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6957 1 4 '3D 13C-F1-filtered-13C-F3-separated NOESY' yes 4 . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6957 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6957 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm . external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6957 1 H 1 DSS 'methyl protons' . . . . ppm . external direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6957 1 N 15 DSS 'methyl protons' . . . . ppm . external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6957 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6957 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6957 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 ASP HA H 1 4.934 0.02 . 1 . . . . . . . . 6957 1 2 . 1 1 3 3 ASP HB2 H 1 2.792 0.02 . 2 . . . . . . . . 6957 1 3 . 1 1 3 3 ASP HB3 H 1 2.639 0.02 . 2 . . . . . . . . 6957 1 4 . 1 1 3 3 ASP CA C 13 52.545 0.1 . 1 . . . . . . . . 6957 1 5 . 1 1 3 3 ASP CB C 13 41.868 0.1 . 1 . . . . . . . . 6957 1 6 . 1 1 4 4 PRO HA H 1 4.521 0.02 . 1 . . . . . . . . 6957 1 7 . 1 1 4 4 PRO HB2 H 1 2.079 0.02 . 2 . . . . . . . . 6957 1 8 . 1 1 4 4 PRO HB3 H 1 2.267 0.02 . 2 . . . . . . . . 6957 1 9 . 1 1 4 4 PRO HG2 H 1 2.045 0.02 . 1 . . . . . . . . 6957 1 10 . 1 1 4 4 PRO HG3 H 1 2.045 0.02 . 1 . . . . . . . . 6957 1 11 . 1 1 4 4 PRO HD2 H 1 3.927 0.02 . 1 . . . . . . . . 6957 1 12 . 1 1 4 4 PRO HD3 H 1 3.927 0.02 . 1 . . . . . . . . 6957 1 13 . 1 1 4 4 PRO C C 13 177.746 0.1 . 1 . . . . . . . . 6957 1 14 . 1 1 4 4 PRO CA C 13 63.848 0.1 . 1 . . . . . . . . 6957 1 15 . 1 1 4 4 PRO CB C 13 32.808 0.1 . 1 . . . . . . . . 6957 1 16 . 1 1 4 4 PRO CG C 13 26.984 0.1 . 1 . . . . . . . . 6957 1 17 . 1 1 4 4 PRO CD C 13 51.251 0.1 . 1 . . . . . . . . 6957 1 18 . 1 1 5 5 GLY H H 1 8.578 0.02 . 1 . . . . . . . . 6957 1 19 . 1 1 5 5 GLY HA2 H 1 4.062 0.02 . 2 . . . . . . . . 6957 1 20 . 1 1 5 5 GLY HA3 H 1 4.211 0.02 . 2 . . . . . . . . 6957 1 21 . 1 1 5 5 GLY C C 13 173.964 0.1 . 1 . . . . . . . . 6957 1 22 . 1 1 5 5 GLY CA C 13 46.721 0.1 . 1 . . . . . . . . 6957 1 23 . 1 1 5 5 GLY N N 15 109.528 0.1 . 1 . . . . . . . . 6957 1 24 . 1 1 6 6 PRO HA H 1 4.693 0.02 . 1 . . . . . . . . 6957 1 25 . 1 1 6 6 PRO HB2 H 1 2.744 0.02 . 2 . . . . . . . . 6957 1 26 . 1 1 6 6 PRO HB3 H 1 2.289 0.02 . 2 . . . . . . . . 6957 1 27 . 1 1 6 6 PRO HG2 H 1 2.267 0.02 . 2 . . . . . . . . 6957 1 28 . 1 1 6 6 PRO HG3 H 1 2.110 0.02 . 2 . . . . . . . . 6957 1 29 . 1 1 6 6 PRO HD2 H 1 3.845 0.02 . 2 . . . . . . . . 6957 1 30 . 1 1 6 6 PRO HD3 H 1 3.697 0.02 . 2 . . . . . . . . 6957 1 31 . 1 1 6 6 PRO C C 13 178.112 0.1 . 1 . . . . . . . . 6957 1 32 . 1 1 6 6 PRO CA C 13 65.935 0.1 . 1 . . . . . . . . 6957 1 33 . 1 1 6 6 PRO CB C 13 32.290 0.1 . 1 . . . . . . . . 6957 1 34 . 1 1 6 6 PRO CG C 13 27.954 0.1 . 1 . . . . . . . . 6957 1 35 . 1 1 6 6 PRO CD C 13 50.927 0.1 . 1 . . . . . . . . 6957 1 36 . 1 1 7 7 GLU H H 1 7.963 0.02 . 1 . . . . . . . . 6957 1 37 . 1 1 7 7 GLU HA H 1 4.466 0.02 . 1 . . . . . . . . 6957 1 38 . 1 1 7 7 GLU HB2 H 1 1.796 0.02 . 2 . . . . . . . . 6957 1 39 . 1 1 7 7 GLU HB3 H 1 2.051 0.02 . 2 . . . . . . . . 6957 1 40 . 1 1 7 7 GLU HG2 H 1 2.316 0.02 . 2 . . . . . . . . 6957 1 41 . 1 1 7 7 GLU HG3 H 1 2.194 0.02 . 2 . . . . . . . . 6957 1 42 . 1 1 7 7 GLU C C 13 178.065 0.1 . 1 . . . . . . . . 6957 1 43 . 1 1 7 7 GLU CA C 13 58.238 0.1 . 1 . . . . . . . . 6957 1 44 . 1 1 7 7 GLU CB C 13 29.388 0.1 . 1 . . . . . . . . 6957 1 45 . 1 1 7 7 GLU CG C 13 35.073 0.1 . 1 . . . . . . . . 6957 1 46 . 1 1 7 7 GLU N N 15 118.078 0.1 . 1 . . . . . . . . 6957 1 47 . 1 1 8 8 ALA H H 1 7.875 0.02 . 1 . . . . . . . . 6957 1 48 . 1 1 8 8 ALA HA H 1 4.059 0.02 . 1 . . . . . . . . 6957 1 49 . 1 1 8 8 ALA HB1 H 1 1.443 0.02 . 1 . . . . . . . . 6957 1 50 . 1 1 8 8 ALA HB2 H 1 1.443 0.02 . 1 . . . . . . . . 6957 1 51 . 1 1 8 8 ALA HB3 H 1 1.443 0.02 . 1 . . . . . . . . 6957 1 52 . 1 1 8 8 ALA C C 13 181.008 0.1 . 1 . . . . . . . . 6957 1 53 . 1 1 8 8 ALA CA C 13 55.205 0.1 . 1 . . . . . . . . 6957 1 54 . 1 1 8 8 ALA CB C 13 18.362 0.1 . 1 . . . . . . . . 6957 1 55 . 1 1 8 8 ALA N N 15 121.025 0.1 . 1 . . . . . . . . 6957 1 56 . 1 1 9 9 ALA H H 1 7.858 0.02 . 1 . . . . . . . . 6957 1 57 . 1 1 9 9 ALA HA H 1 4.047 0.02 . 1 . . . . . . . . 6957 1 58 . 1 1 9 9 ALA HB1 H 1 1.609 0.02 . 1 . . . . . . . . 6957 1 59 . 1 1 9 9 ALA HB2 H 1 1.609 0.02 . 1 . . . . . . . . 6957 1 60 . 1 1 9 9 ALA HB3 H 1 1.609 0.02 . 1 . . . . . . . . 6957 1 61 . 1 1 9 9 ALA C C 13 180.354 0.011 . 1 . . . . . . . . 6957 1 62 . 1 1 9 9 ALA CA C 13 55.199 0.1 . 1 . . . . . . . . 6957 1 63 . 1 1 9 9 ALA CB C 13 18.284 0.1 . 1 . . . . . . . . 6957 1 64 . 1 1 9 9 ALA N N 15 120.300 0.1 . 1 . . . . . . . . 6957 1 65 . 1 1 10 10 ARG H H 1 8.426 0.02 . 1 . . . . . . . . 6957 1 66 . 1 1 10 10 ARG HA H 1 2.733 0.02 . 1 . . . . . . . . 6957 1 67 . 1 1 10 10 ARG HB2 H 1 0.295 0.02 . 2 . . . . . . . . 6957 1 68 . 1 1 10 10 ARG HB3 H 1 1.502 0.02 . 2 . . . . . . . . 6957 1 69 . 1 1 10 10 ARG HG2 H 1 0.604 0.02 . 2 . . . . . . . . 6957 1 70 . 1 1 10 10 ARG HG3 H 1 -0.750 0.02 . 2 . . . . . . . . 6957 1 71 . 1 1 10 10 ARG HD2 H 1 3.183 0.02 . 2 . . . . . . . . 6957 1 72 . 1 1 10 10 ARG HD3 H 1 2.608 0.02 . 2 . . . . . . . . 6957 1 73 . 1 1 10 10 ARG HE H 1 8.632 0.002 . 1 . . . . . . . . 6957 1 74 . 1 1 10 10 ARG C C 13 178.673 0.1 . 1 . . . . . . . . 6957 1 75 . 1 1 10 10 ARG CA C 13 60.633 0.1 . 1 . . . . . . . . 6957 1 76 . 1 1 10 10 ARG CB C 13 29.572 0.1 . 1 . . . . . . . . 6957 1 77 . 1 1 10 10 ARG CG C 13 26.013 0.1 . 1 . . . . . . . . 6957 1 78 . 1 1 10 10 ARG CD C 13 42.838 0.1 . 1 . . . . . . . . 6957 1 79 . 1 1 10 10 ARG N N 15 123.793 0.1 . 1 . . . . . . . . 6957 1 80 . 1 1 10 10 ARG NE N 15 113.446 0.1 . 1 . . . . . . . . 6957 1 81 . 1 1 11 11 LEU H H 1 8.111 0.02 . 1 . . . . . . . . 6957 1 82 . 1 1 11 11 LEU HA H 1 3.763 0.02 . 1 . . . . . . . . 6957 1 83 . 1 1 11 11 LEU HB2 H 1 1.756 0.02 . 2 . . . . . . . . 6957 1 84 . 1 1 11 11 LEU HB3 H 1 1.390 0.02 . 2 . . . . . . . . 6957 1 85 . 1 1 11 11 LEU HG H 1 1.615 0.02 . 1 . . . . . . . . 6957 1 86 . 1 1 11 11 LEU HD11 H 1 0.818 0.02 . 2 . . . . . . . . 6957 1 87 . 1 1 11 11 LEU HD12 H 1 0.818 0.02 . 2 . . . . . . . . 6957 1 88 . 1 1 11 11 LEU HD13 H 1 0.818 0.02 . 2 . . . . . . . . 6957 1 89 . 1 1 11 11 LEU HD21 H 1 0.728 0.02 . 2 . . . . . . . . 6957 1 90 . 1 1 11 11 LEU HD22 H 1 0.728 0.02 . 2 . . . . . . . . 6957 1 91 . 1 1 11 11 LEU HD23 H 1 0.728 0.02 . 2 . . . . . . . . 6957 1 92 . 1 1 11 11 LEU C C 13 179.584 0.1 . 1 . . . . . . . . 6957 1 93 . 1 1 11 11 LEU CA C 13 58.369 0.1 . 1 . . . . . . . . 6957 1 94 . 1 1 11 11 LEU CB C 13 42.191 0.1 . 1 . . . . . . . . 6957 1 95 . 1 1 11 11 LEU CG C 13 27.300 0.1 . 1 . . . . . . . . 6957 1 96 . 1 1 11 11 LEU CD1 C 13 25.730 0.1 . 1 . . . . . . . . 6957 1 97 . 1 1 11 11 LEU CD2 C 13 23.400 0.1 . 1 . . . . . . . . 6957 1 98 . 1 1 11 11 LEU N N 15 117.622 0.1 . 1 . . . . . . . . 6957 1 99 . 1 1 12 12 ARG H H 1 7.543 0.02 . 1 . . . . . . . . 6957 1 100 . 1 1 12 12 ARG HA H 1 3.980 0.02 . 1 . . . . . . . . 6957 1 101 . 1 1 12 12 ARG HB2 H 1 1.924 0.02 . 1 . . . . . . . . 6957 1 102 . 1 1 12 12 ARG HB3 H 1 1.924 0.02 . 1 . . . . . . . . 6957 1 103 . 1 1 12 12 ARG HG2 H 1 1.647 0.02 . 1 . . . . . . . . 6957 1 104 . 1 1 12 12 ARG HG3 H 1 1.647 0.02 . 1 . . . . . . . . 6957 1 105 . 1 1 12 12 ARG HD2 H 1 3.254 0.02 . 1 . . . . . . . . 6957 1 106 . 1 1 12 12 ARG HD3 H 1 3.254 0.02 . 1 . . . . . . . . 6957 1 107 . 1 1 12 12 ARG C C 13 178.350 0.1 . 1 . . . . . . . . 6957 1 108 . 1 1 12 12 ARG CA C 13 59.999 0.1 . 1 . . . . . . . . 6957 1 109 . 1 1 12 12 ARG CB C 13 30.918 0.1 . 1 . . . . . . . . 6957 1 110 . 1 1 12 12 ARG CG C 13 28.602 0.1 . 1 . . . . . . . . 6957 1 111 . 1 1 12 12 ARG CD C 13 43.809 0.1 . 1 . . . . . . . . 6957 1 112 . 1 1 12 12 ARG N N 15 118.017 0.1 . 1 . . . . . . . . 6957 1 113 . 1 1 13 13 PHE H H 1 7.650 0.02 . 1 . . . . . . . . 6957 1 114 . 1 1 13 13 PHE HA H 1 4.429 0.02 . 1 . . . . . . . . 6957 1 115 . 1 1 13 13 PHE HB2 H 1 3.035 0.02 . 2 . . . . . . . . 6957 1 116 . 1 1 13 13 PHE HB3 H 1 3.273 0.02 . 2 . . . . . . . . 6957 1 117 . 1 1 13 13 PHE HD1 H 1 7.244 0.02 . 1 . . . . . . . . 6957 1 118 . 1 1 13 13 PHE HD2 H 1 7.244 0.02 . 1 . . . . . . . . 6957 1 119 . 1 1 13 13 PHE HE1 H 1 7.368 0.02 . 1 . . . . . . . . 6957 1 120 . 1 1 13 13 PHE HE2 H 1 7.368 0.02 . 1 . . . . . . . . 6957 1 121 . 1 1 13 13 PHE HZ H 1 7.180 0.02 . 1 . . . . . . . . 6957 1 122 . 1 1 13 13 PHE C C 13 175.331 0.1 . 1 . . . . . . . . 6957 1 123 . 1 1 13 13 PHE CA C 13 60.215 0.1 . 1 . . . . . . . . 6957 1 124 . 1 1 13 13 PHE CB C 13 39.676 0.1 . 1 . . . . . . . . 6957 1 125 . 1 1 13 13 PHE CD1 C 13 132.047 0.1 . 1 . . . . . . . . 6957 1 126 . 1 1 13 13 PHE CE1 C 13 131.271 0.1 . 1 . . . . . . . . 6957 1 127 . 1 1 13 13 PHE CZ C 13 129.200 0.1 . 1 . . . . . . . . 6957 1 128 . 1 1 13 13 PHE N N 15 118.259 0.1 . 1 . . . . . . . . 6957 1 129 . 1 1 14 14 ARG H H 1 8.370 0.02 . 1 . . . . . . . . 6957 1 130 . 1 1 14 14 ARG HA H 1 3.834 0.02 . 1 . . . . . . . . 6957 1 131 . 1 1 14 14 ARG HB2 H 1 1.783 0.02 . 1 . . . . . . . . 6957 1 132 . 1 1 14 14 ARG HB3 H 1 1.783 0.02 . 1 . . . . . . . . 6957 1 133 . 1 1 14 14 ARG HG2 H 1 1.618 0.02 . 1 . . . . . . . . 6957 1 134 . 1 1 14 14 ARG HG3 H 1 1.618 0.02 . 1 . . . . . . . . 6957 1 135 . 1 1 14 14 ARG HD2 H 1 2.841 0.02 . 1 . . . . . . . . 6957 1 136 . 1 1 14 14 ARG HD3 H 1 2.841 0.02 . 1 . . . . . . . . 6957 1 137 . 1 1 14 14 ARG HE H 1 9.927 0.02 . 1 . . . . . . . . 6957 1 138 . 1 1 14 14 ARG C C 13 179.166 0.1 . 1 . . . . . . . . 6957 1 139 . 1 1 14 14 ARG CA C 13 55.781 0.1 . 1 . . . . . . . . 6957 1 140 . 1 1 14 14 ARG CB C 13 29.896 0.1 . 1 . . . . . . . . 6957 1 141 . 1 1 14 14 ARG CG C 13 26.013 0.1 . 1 . . . . . . . . 6957 1 142 . 1 1 14 14 ARG CD C 13 42.838 0.1 . 1 . . . . . . . . 6957 1 143 . 1 1 14 14 ARG N N 15 112.278 0.1 . 1 . . . . . . . . 6957 1 144 . 1 1 14 14 ARG NE N 15 118.117 0.1 . 1 . . . . . . . . 6957 1 145 . 1 1 15 15 CYS H H 1 8.028 0.02 . 1 . . . . . . . . 6957 1 146 . 1 1 15 15 CYS HA H 1 4.529 0.02 . 1 . . . . . . . . 6957 1 147 . 1 1 15 15 CYS HB2 H 1 2.883 0.02 . 2 . . . . . . . . 6957 1 148 . 1 1 15 15 CYS HB3 H 1 3.081 0.02 . 2 . . . . . . . . 6957 1 149 . 1 1 15 15 CYS C C 13 173.642 0.1 . 1 . . . . . . . . 6957 1 150 . 1 1 15 15 CYS CA C 13 58.868 0.1 . 1 . . . . . . . . 6957 1 151 . 1 1 15 15 CYS CB C 13 27.436 0.1 . 1 . . . . . . . . 6957 1 152 . 1 1 15 15 CYS N N 15 115.233 0.1 . 1 . . . . . . . . 6957 1 153 . 1 1 16 16 PHE H H 1 6.894 0.02 . 1 . . . . . . . . 6957 1 154 . 1 1 16 16 PHE HA H 1 4.141 0.02 . 1 . . . . . . . . 6957 1 155 . 1 1 16 16 PHE HB2 H 1 2.614 0.02 . 2 . . . . . . . . 6957 1 156 . 1 1 16 16 PHE HB3 H 1 3.259 0.02 . 2 . . . . . . . . 6957 1 157 . 1 1 16 16 PHE HD1 H 1 7.023 0.02 . 1 . . . . . . . . 6957 1 158 . 1 1 16 16 PHE HD2 H 1 7.023 0.02 . 1 . . . . . . . . 6957 1 159 . 1 1 16 16 PHE HE1 H 1 7.291 0.02 . 1 . . . . . . . . 6957 1 160 . 1 1 16 16 PHE HE2 H 1 7.291 0.02 . 1 . . . . . . . . 6957 1 161 . 1 1 16 16 PHE C C 13 174.230 0.1 . 1 . . . . . . . . 6957 1 162 . 1 1 16 16 PHE CA C 13 60.101 0.1 . 1 . . . . . . . . 6957 1 163 . 1 1 16 16 PHE CB C 13 40.837 0.1 . 1 . . . . . . . . 6957 1 164 . 1 1 16 16 PHE CD1 C 13 132.306 0.1 . 1 . . . . . . . . 6957 1 165 . 1 1 16 16 PHE CE1 C 13 130.750 0.1 . 1 . . . . . . . . 6957 1 166 . 1 1 16 16 PHE N N 15 122.729 0.1 . 1 . . . . . . . . 6957 1 167 . 1 1 17 17 HIS H H 1 7.725 0.02 . 1 . . . . . . . . 6957 1 168 . 1 1 17 17 HIS HA H 1 4.724 0.02 . 1 . . . . . . . . 6957 1 169 . 1 1 17 17 HIS HB2 H 1 2.961 0.02 . 2 . . . . . . . . 6957 1 170 . 1 1 17 17 HIS HB3 H 1 2.874 0.02 . 2 . . . . . . . . 6957 1 171 . 1 1 17 17 HIS HD2 H 1 7.036 0.02 . 1 . . . . . . . . 6957 1 172 . 1 1 17 17 HIS HE1 H 1 8.158 0.02 . 1 . . . . . . . . 6957 1 173 . 1 1 17 17 HIS C C 13 172.750 0.001 . 1 . . . . . . . . 6957 1 174 . 1 1 17 17 HIS CA C 13 54.216 0.1 . 1 . . . . . . . . 6957 1 175 . 1 1 17 17 HIS CB C 13 31.288 0.1 . 1 . . . . . . . . 6957 1 176 . 1 1 17 17 HIS CD2 C 13 120.658 0.1 . 1 . . . . . . . . 6957 1 177 . 1 1 17 17 HIS CE1 C 13 137.224 0.1 . 1 . . . . . . . . 6957 1 178 . 1 1 17 17 HIS N N 15 126.921 0.1 . 1 . . . . . . . . 6957 1 179 . 1 1 18 18 TYR H H 1 8.296 0.02 . 1 . . . . . . . . 6957 1 180 . 1 1 18 18 TYR HA H 1 4.101 0.02 . 1 . . . . . . . . 6957 1 181 . 1 1 18 18 TYR HB2 H 1 2.784 0.02 . 1 . . . . . . . . 6957 1 182 . 1 1 18 18 TYR HB3 H 1 2.784 0.02 . 1 . . . . . . . . 6957 1 183 . 1 1 18 18 TYR HD1 H 1 6.816 0.02 . 1 . . . . . . . . 6957 1 184 . 1 1 18 18 TYR HD2 H 1 6.816 0.02 . 1 . . . . . . . . 6957 1 185 . 1 1 18 18 TYR HE1 H 1 6.541 0.02 . 1 . . . . . . . . 6957 1 186 . 1 1 18 18 TYR HE2 H 1 6.541 0.02 . 1 . . . . . . . . 6957 1 187 . 1 1 18 18 TYR C C 13 174.479 0.002 . 1 . . . . . . . . 6957 1 188 . 1 1 18 18 TYR CA C 13 59.077 0.1 . 1 . . . . . . . . 6957 1 189 . 1 1 18 18 TYR CB C 13 39.757 0.1 . 1 . . . . . . . . 6957 1 190 . 1 1 18 18 TYR CD1 C 13 132.565 0.1 . 1 . . . . . . . . 6957 1 191 . 1 1 18 18 TYR CE1 C 13 118.070 0.1 . 1 . . . . . . . . 6957 1 192 . 1 1 18 18 TYR N N 15 125.124 0.1 . 1 . . . . . . . . 6957 1 193 . 1 1 19 19 GLU H H 1 8.449 0.02 . 1 . . . . . . . . 6957 1 194 . 1 1 19 19 GLU HA H 1 4.233 0.02 . 1 . . . . . . . . 6957 1 195 . 1 1 19 19 GLU HB2 H 1 1.973 0.02 . 2 . . . . . . . . 6957 1 196 . 1 1 19 19 GLU HB3 H 1 1.791 0.02 . 2 . . . . . . . . 6957 1 197 . 1 1 19 19 GLU HG2 H 1 2.152 0.02 . 1 . . . . . . . . 6957 1 198 . 1 1 19 19 GLU HG3 H 1 2.152 0.02 . 1 . . . . . . . . 6957 1 199 . 1 1 19 19 GLU C C 13 176.129 0.1 . 1 . . . . . . . . 6957 1 200 . 1 1 19 19 GLU CA C 13 55.134 0.1 . 1 . . . . . . . . 6957 1 201 . 1 1 19 19 GLU CB C 13 30.219 0.1 . 1 . . . . . . . . 6957 1 202 . 1 1 19 19 GLU CG C 13 36.367 0.1 . 1 . . . . . . . . 6957 1 203 . 1 1 19 19 GLU N N 15 126.409 0.1 . 1 . . . . . . . . 6957 1 204 . 1 1 20 20 GLU H H 1 8.438 0.02 . 1 . . . . . . . . 6957 1 205 . 1 1 20 20 GLU HA H 1 3.831 0.02 . 1 . . . . . . . . 6957 1 206 . 1 1 20 20 GLU HB2 H 1 2.017 0.02 . 1 . . . . . . . . 6957 1 207 . 1 1 20 20 GLU HB3 H 1 2.017 0.02 . 1 . . . . . . . . 6957 1 208 . 1 1 20 20 GLU HG2 H 1 2.264 0.02 . 1 . . . . . . . . 6957 1 209 . 1 1 20 20 GLU HG3 H 1 2.264 0.02 . 1 . . . . . . . . 6957 1 210 . 1 1 20 20 GLU C C 13 177.818 0.1 . 1 . . . . . . . . 6957 1 211 . 1 1 20 20 GLU CA C 13 59.071 0.1 . 1 . . . . . . . . 6957 1 212 . 1 1 20 20 GLU CB C 13 30.200 0.1 . 1 . . . . . . . . 6957 1 213 . 1 1 20 20 GLU CG C 13 37.014 0.1 . 1 . . . . . . . . 6957 1 214 . 1 1 20 20 GLU N N 15 123.956 0.1 . 1 . . . . . . . . 6957 1 215 . 1 1 21 21 ALA H H 1 8.401 0.02 . 1 . . . . . . . . 6957 1 216 . 1 1 21 21 ALA HA H 1 4.279 0.02 . 1 . . . . . . . . 6957 1 217 . 1 1 21 21 ALA HB1 H 1 1.433 0.02 . 1 . . . . . . . . 6957 1 218 . 1 1 21 21 ALA HB2 H 1 1.433 0.02 . 1 . . . . . . . . 6957 1 219 . 1 1 21 21 ALA HB3 H 1 1.433 0.02 . 1 . . . . . . . . 6957 1 220 . 1 1 21 21 ALA C C 13 178.919 0.1 . 1 . . . . . . . . 6957 1 221 . 1 1 21 21 ALA CA C 13 53.769 0.1 . 1 . . . . . . . . 6957 1 222 . 1 1 21 21 ALA CB C 13 19.522 0.1 . 1 . . . . . . . . 6957 1 223 . 1 1 21 21 ALA N N 15 119.930 0.1 . 1 . . . . . . . . 6957 1 224 . 1 1 22 22 THR H H 1 7.716 0.02 . 1 . . . . . . . . 6957 1 225 . 1 1 22 22 THR HA H 1 4.253 0.02 . 1 . . . . . . . . 6957 1 226 . 1 1 22 22 THR HB H 1 4.290 0.02 . 1 . . . . . . . . 6957 1 227 . 1 1 22 22 THR HG21 H 1 1.283 0.02 . 1 . . . . . . . . 6957 1 228 . 1 1 22 22 THR HG22 H 1 1.283 0.02 . 1 . . . . . . . . 6957 1 229 . 1 1 22 22 THR HG23 H 1 1.283 0.02 . 1 . . . . . . . . 6957 1 230 . 1 1 22 22 THR C C 13 175.825 0.1 . 1 . . . . . . . . 6957 1 231 . 1 1 22 22 THR CA C 13 63.141 0.1 . 1 . . . . . . . . 6957 1 232 . 1 1 22 22 THR CB C 13 69.716 0.1 . 1 . . . . . . . . 6957 1 233 . 1 1 22 22 THR CG2 C 13 22.460 0.1 . 1 . . . . . . . . 6957 1 234 . 1 1 22 22 THR N N 15 110.064 0.1 . 1 . . . . . . . . 6957 1 235 . 1 1 23 23 GLY H H 1 7.616 0.02 . 1 . . . . . . . . 6957 1 236 . 1 1 23 23 GLY HA2 H 1 4.208 0.02 . 2 . . . . . . . . 6957 1 237 . 1 1 23 23 GLY HA3 H 1 4.423 0.02 . 2 . . . . . . . . 6957 1 238 . 1 1 23 23 GLY C C 13 173.338 0.1 . 1 . . . . . . . . 6957 1 239 . 1 1 23 23 GLY CA C 13 45.427 0.1 . 1 . . . . . . . . 6957 1 240 . 1 1 23 23 GLY N N 15 108.976 0.1 . 1 . . . . . . . . 6957 1 241 . 1 1 24 24 PRO HA H 1 4.609 0.02 . 1 . . . . . . . . 6957 1 242 . 1 1 24 24 PRO HB2 H 1 2.393 0.02 . 2 . . . . . . . . 6957 1 243 . 1 1 24 24 PRO HB3 H 1 2.074 0.02 . 2 . . . . . . . . 6957 1 244 . 1 1 24 24 PRO HG2 H 1 2.195 0.02 . 2 . . . . . . . . 6957 1 245 . 1 1 24 24 PRO HG3 H 1 2.261 0.02 . 2 . . . . . . . . 6957 1 246 . 1 1 24 24 PRO HD2 H 1 3.815 0.02 . 2 . . . . . . . . 6957 1 247 . 1 1 24 24 PRO HD3 H 1 4.091 0.02 . 2 . . . . . . . . 6957 1 248 . 1 1 24 24 PRO C C 13 178.144 0.1 . 1 . . . . . . . . 6957 1 249 . 1 1 24 24 PRO CA C 13 66.095 0.1 . 1 . . . . . . . . 6957 1 250 . 1 1 24 24 PRO CB C 13 33.134 0.1 . 1 . . . . . . . . 6957 1 251 . 1 1 24 24 PRO CG C 13 27.954 0.1 . 1 . . . . . . . . 6957 1 252 . 1 1 24 24 PRO CD C 13 50.280 0.1 . 1 . . . . . . . . 6957 1 253 . 1 1 25 25 GLN H H 1 8.491 0.02 . 1 . . . . . . . . 6957 1 254 . 1 1 25 25 GLN HA H 1 3.955 0.02 . 1 . . . . . . . . 6957 1 255 . 1 1 25 25 GLN HB2 H 1 2.109 0.02 . 1 . . . . . . . . 6957 1 256 . 1 1 25 25 GLN HB3 H 1 2.109 0.02 . 1 . . . . . . . . 6957 1 257 . 1 1 25 25 GLN HG2 H 1 2.502 0.02 . 2 . . . . . . . . 6957 1 258 . 1 1 25 25 GLN HG3 H 1 2.449 0.02 . 2 . . . . . . . . 6957 1 259 . 1 1 25 25 GLN HE21 H 1 7.618 0.02 . 2 . . . . . . . . 6957 1 260 . 1 1 25 25 GLN HE22 H 1 6.913 0.02 . 2 . . . . . . . . 6957 1 261 . 1 1 25 25 GLN C C 13 179.736 0.1 . 1 . . . . . . . . 6957 1 262 . 1 1 25 25 GLN CA C 13 60.160 0.1 . 1 . . . . . . . . 6957 1 263 . 1 1 25 25 GLN CB C 13 27.411 0.1 . 1 . . . . . . . . 6957 1 264 . 1 1 25 25 GLN CG C 13 34.102 0.1 . 1 . . . . . . . . 6957 1 265 . 1 1 25 25 GLN N N 15 118.117 0.1 . 1 . . . . . . . . 6957 1 266 . 1 1 25 25 GLN NE2 N 15 111.939 0.003 . 1 . . . . . . . . 6957 1 267 . 1 1 26 26 GLU H H 1 8.578 0.02 . 1 . . . . . . . . 6957 1 268 . 1 1 26 26 GLU HA H 1 4.223 0.02 . 1 . . . . . . . . 6957 1 269 . 1 1 26 26 GLU HB2 H 1 2.004 0.02 . 2 . . . . . . . . 6957 1 270 . 1 1 26 26 GLU HB3 H 1 2.125 0.02 . 2 . . . . . . . . 6957 1 271 . 1 1 26 26 GLU HG2 H 1 2.406 0.02 . 2 . . . . . . . . 6957 1 272 . 1 1 26 26 GLU HG3 H 1 2.354 0.02 . 2 . . . . . . . . 6957 1 273 . 1 1 26 26 GLU C C 13 178.900 0.1 . 1 . . . . . . . . 6957 1 274 . 1 1 26 26 GLU CA C 13 59.321 0.1 . 1 . . . . . . . . 6957 1 275 . 1 1 26 26 GLU CB C 13 29.335 0.1 . 1 . . . . . . . . 6957 1 276 . 1 1 26 26 GLU CG C 13 36.691 0.1 . 1 . . . . . . . . 6957 1 277 . 1 1 26 26 GLU N N 15 122.036 0.1 . 1 . . . . . . . . 6957 1 278 . 1 1 27 27 ALA H H 1 7.789 0.02 . 1 . . . . . . . . 6957 1 279 . 1 1 27 27 ALA HA H 1 4.316 0.02 . 1 . . . . . . . . 6957 1 280 . 1 1 27 27 ALA HB1 H 1 1.893 0.02 . 1 . . . . . . . . 6957 1 281 . 1 1 27 27 ALA HB2 H 1 1.893 0.02 . 1 . . . . . . . . 6957 1 282 . 1 1 27 27 ALA HB3 H 1 1.893 0.02 . 1 . . . . . . . . 6957 1 283 . 1 1 27 27 ALA C C 13 179.394 0.1 . 1 . . . . . . . . 6957 1 284 . 1 1 27 27 ALA CA C 13 55.691 0.1 . 1 . . . . . . . . 6957 1 285 . 1 1 27 27 ALA CB C 13 19.364 0.1 . 1 . . . . . . . . 6957 1 286 . 1 1 27 27 ALA N N 15 121.290 0.1 . 1 . . . . . . . . 6957 1 287 . 1 1 28 28 LEU H H 1 8.120 0.02 . 1 . . . . . . . . 6957 1 288 . 1 1 28 28 LEU HA H 1 3.781 0.02 . 1 . . . . . . . . 6957 1 289 . 1 1 28 28 LEU HB2 H 1 1.753 0.02 . 2 . . . . . . . . 6957 1 290 . 1 1 28 28 LEU HB3 H 1 1.314 0.02 . 2 . . . . . . . . 6957 1 291 . 1 1 28 28 LEU HG H 1 1.393 0.02 . 1 . . . . . . . . 6957 1 292 . 1 1 28 28 LEU HD11 H 1 0.481 0.02 . 2 . . . . . . . . 6957 1 293 . 1 1 28 28 LEU HD12 H 1 0.481 0.02 . 2 . . . . . . . . 6957 1 294 . 1 1 28 28 LEU HD13 H 1 0.481 0.02 . 2 . . . . . . . . 6957 1 295 . 1 1 28 28 LEU HD21 H 1 0.286 0.02 . 2 . . . . . . . . 6957 1 296 . 1 1 28 28 LEU HD22 H 1 0.286 0.02 . 2 . . . . . . . . 6957 1 297 . 1 1 28 28 LEU HD23 H 1 0.286 0.02 . 2 . . . . . . . . 6957 1 298 . 1 1 28 28 LEU C C 13 178.464 0.1 . 1 . . . . . . . . 6957 1 299 . 1 1 28 28 LEU CA C 13 58.455 0.1 . 1 . . . . . . . . 6957 1 300 . 1 1 28 28 LEU CB C 13 42.191 0.1 . 1 . . . . . . . . 6957 1 301 . 1 1 28 28 LEU CG C 13 26.984 0.1 . 1 . . . . . . . . 6957 1 302 . 1 1 28 28 LEU CD1 C 13 25.366 0.1 . 1 . . . . . . . . 6957 1 303 . 1 1 28 28 LEU CD2 C 13 24.072 0.1 . 1 . . . . . . . . 6957 1 304 . 1 1 28 28 LEU N N 15 116.715 0.1 . 1 . . . . . . . . 6957 1 305 . 1 1 29 29 ALA H H 1 7.728 0.02 . 1 . . . . . . . . 6957 1 306 . 1 1 29 29 ALA HA H 1 4.101 0.02 . 1 . . . . . . . . 6957 1 307 . 1 1 29 29 ALA HB1 H 1 1.549 0.02 . 1 . . . . . . . . 6957 1 308 . 1 1 29 29 ALA HB2 H 1 1.549 0.02 . 1 . . . . . . . . 6957 1 309 . 1 1 29 29 ALA HB3 H 1 1.549 0.02 . 1 . . . . . . . . 6957 1 310 . 1 1 29 29 ALA C C 13 181.634 0.1 . 1 . . . . . . . . 6957 1 311 . 1 1 29 29 ALA CA C 13 55.746 0.1 . 1 . . . . . . . . 6957 1 312 . 1 1 29 29 ALA CB C 13 18.362 0.1 . 1 . . . . . . . . 6957 1 313 . 1 1 29 29 ALA N N 15 121.103 0.1 . 1 . . . . . . . . 6957 1 314 . 1 1 30 30 GLN H H 1 8.129 0.02 . 1 . . . . . . . . 6957 1 315 . 1 1 30 30 GLN HA H 1 4.120 0.02 . 1 . . . . . . . . 6957 1 316 . 1 1 30 30 GLN HB2 H 1 2.283 0.02 . 2 . . . . . . . . 6957 1 317 . 1 1 30 30 GLN HB3 H 1 2.140 0.02 . 2 . . . . . . . . 6957 1 318 . 1 1 30 30 GLN HG2 H 1 2.726 0.02 . 2 . . . . . . . . 6957 1 319 . 1 1 30 30 GLN HG3 H 1 2.482 0.02 . 2 . . . . . . . . 6957 1 320 . 1 1 30 30 GLN HE21 H 1 7.652 0.02 . 2 . . . . . . . . 6957 1 321 . 1 1 30 30 GLN HE22 H 1 6.870 0.02 . 2 . . . . . . . . 6957 1 322 . 1 1 30 30 GLN C C 13 179.204 0.1 . 1 . . . . . . . . 6957 1 323 . 1 1 30 30 GLN CA C 13 59.241 0.1 . 1 . . . . . . . . 6957 1 324 . 1 1 30 30 GLN CB C 13 29.071 0.1 . 1 . . . . . . . . 6957 1 325 . 1 1 30 30 GLN CG C 13 34.426 0.1 . 1 . . . . . . . . 6957 1 326 . 1 1 30 30 GLN N N 15 118.477 0.1 . 1 . . . . . . . . 6957 1 327 . 1 1 30 30 GLN NE2 N 15 110.821 0.006 . 1 . . . . . . . . 6957 1 328 . 1 1 31 31 LEU H H 1 8.628 0.02 . 1 . . . . . . . . 6957 1 329 . 1 1 31 31 LEU HA H 1 3.917 0.02 . 1 . . . . . . . . 6957 1 330 . 1 1 31 31 LEU HB2 H 1 1.946 0.02 . 2 . . . . . . . . 6957 1 331 . 1 1 31 31 LEU HB3 H 1 1.349 0.02 . 2 . . . . . . . . 6957 1 332 . 1 1 31 31 LEU HG H 1 0.976 0.02 . 1 . . . . . . . . 6957 1 333 . 1 1 31 31 LEU HD11 H 1 0.752 0.02 . 2 . . . . . . . . 6957 1 334 . 1 1 31 31 LEU HD12 H 1 0.752 0.02 . 2 . . . . . . . . 6957 1 335 . 1 1 31 31 LEU HD13 H 1 0.752 0.02 . 2 . . . . . . . . 6957 1 336 . 1 1 31 31 LEU HD21 H 1 0.598 0.02 . 2 . . . . . . . . 6957 1 337 . 1 1 31 31 LEU HD22 H 1 0.598 0.02 . 2 . . . . . . . . 6957 1 338 . 1 1 31 31 LEU HD23 H 1 0.598 0.02 . 2 . . . . . . . . 6957 1 339 . 1 1 31 31 LEU C C 13 179.299 0.1 . 1 . . . . . . . . 6957 1 340 . 1 1 31 31 LEU CA C 13 58.509 0.1 . 1 . . . . . . . . 6957 1 341 . 1 1 31 31 LEU CB C 13 44.108 0.1 . 1 . . . . . . . . 6957 1 342 . 1 1 31 31 LEU CG C 13 27.307 0.1 . 1 . . . . . . . . 6957 1 343 . 1 1 31 31 LEU CD1 C 13 26.337 0.1 . 1 . . . . . . . . 6957 1 344 . 1 1 31 31 LEU CD2 C 13 25.690 0.1 . 1 . . . . . . . . 6957 1 345 . 1 1 31 31 LEU N N 15 120.452 0.1 . 1 . . . . . . . . 6957 1 346 . 1 1 32 32 ARG H H 1 8.675 0.02 . 1 . . . . . . . . 6957 1 347 . 1 1 32 32 ARG HA H 1 3.800 0.02 . 1 . . . . . . . . 6957 1 348 . 1 1 32 32 ARG HB2 H 1 1.861 0.02 . 1 . . . . . . . . 6957 1 349 . 1 1 32 32 ARG HB3 H 1 1.861 0.02 . 1 . . . . . . . . 6957 1 350 . 1 1 32 32 ARG HG2 H 1 1.591 0.02 . 1 . . . . . . . . 6957 1 351 . 1 1 32 32 ARG HG3 H 1 1.591 0.02 . 1 . . . . . . . . 6957 1 352 . 1 1 32 32 ARG HD2 H 1 3.089 0.02 . 2 . . . . . . . . 6957 1 353 . 1 1 32 32 ARG HD3 H 1 3.038 0.02 . 2 . . . . . . . . 6957 1 354 . 1 1 32 32 ARG HE H 1 9.003 0.02 . 1 . . . . . . . . 6957 1 355 . 1 1 32 32 ARG C C 13 178.768 0.1 . 1 . . . . . . . . 6957 1 356 . 1 1 32 32 ARG CA C 13 60.811 0.1 . 1 . . . . . . . . 6957 1 357 . 1 1 32 32 ARG CB C 13 30.538 0.1 . 1 . . . . . . . . 6957 1 358 . 1 1 32 32 ARG CG C 13 30.543 0.1 . 1 . . . . . . . . 6957 1 359 . 1 1 32 32 ARG CD C 13 43.485 0.1 . 1 . . . . . . . . 6957 1 360 . 1 1 32 32 ARG N N 15 119.182 0.1 . 1 . . . . . . . . 6957 1 361 . 1 1 32 32 ARG NE N 15 116.949 0.1 . 1 . . . . . . . . 6957 1 362 . 1 1 33 33 GLU H H 1 7.387 0.02 . 1 . . . . . . . . 6957 1 363 . 1 1 33 33 GLU HA H 1 4.212 0.02 . 1 . . . . . . . . 6957 1 364 . 1 1 33 33 GLU HB2 H 1 2.121 0.02 . 1 . . . . . . . . 6957 1 365 . 1 1 33 33 GLU HB3 H 1 2.121 0.02 . 1 . . . . . . . . 6957 1 366 . 1 1 33 33 GLU HG2 H 1 2.374 0.02 . 2 . . . . . . . . 6957 1 367 . 1 1 33 33 GLU HG3 H 1 2.254 0.02 . 2 . . . . . . . . 6957 1 368 . 1 1 33 33 GLU C C 13 178.806 0.1 . 1 . . . . . . . . 6957 1 369 . 1 1 33 33 GLU CA C 13 59.213 0.1 . 1 . . . . . . . . 6957 1 370 . 1 1 33 33 GLU CB C 13 29.249 0.1 . 1 . . . . . . . . 6957 1 371 . 1 1 33 33 GLU CG C 13 35.396 0.1 . 1 . . . . . . . . 6957 1 372 . 1 1 33 33 GLU N N 15 119.791 0.1 . 1 . . . . . . . . 6957 1 373 . 1 1 34 34 LEU H H 1 8.514 0.02 . 1 . . . . . . . . 6957 1 374 . 1 1 34 34 LEU HA H 1 4.067 0.02 . 1 . . . . . . . . 6957 1 375 . 1 1 34 34 LEU HB2 H 1 2.162 0.02 . 2 . . . . . . . . 6957 1 376 . 1 1 34 34 LEU HB3 H 1 1.515 0.02 . 2 . . . . . . . . 6957 1 377 . 1 1 34 34 LEU HG H 1 2.039 0.02 . 1 . . . . . . . . 6957 1 378 . 1 1 34 34 LEU HD11 H 1 1.047 0.02 . 2 . . . . . . . . 6957 1 379 . 1 1 34 34 LEU HD12 H 1 1.047 0.02 . 2 . . . . . . . . 6957 1 380 . 1 1 34 34 LEU HD13 H 1 1.047 0.02 . 2 . . . . . . . . 6957 1 381 . 1 1 34 34 LEU HD21 H 1 0.967 0.02 . 2 . . . . . . . . 6957 1 382 . 1 1 34 34 LEU HD22 H 1 0.967 0.02 . 2 . . . . . . . . 6957 1 383 . 1 1 34 34 LEU HD23 H 1 0.967 0.02 . 2 . . . . . . . . 6957 1 384 . 1 1 34 34 LEU C C 13 179.907 0.1 . 1 . . . . . . . . 6957 1 385 . 1 1 34 34 LEU CA C 13 58.021 0.1 . 1 . . . . . . . . 6957 1 386 . 1 1 34 34 LEU CB C 13 43.225 0.1 . 1 . . . . . . . . 6957 1 387 . 1 1 34 34 LEU CG C 13 26.984 0.1 . 1 . . . . . . . . 6957 1 388 . 1 1 34 34 LEU CD1 C 13 26.337 0.1 . 1 . . . . . . . . 6957 1 389 . 1 1 34 34 LEU CD2 C 13 22.778 0.1 . 1 . . . . . . . . 6957 1 390 . 1 1 34 34 LEU N N 15 119.518 0.1 . 1 . . . . . . . . 6957 1 391 . 1 1 35 35 CYS H H 1 8.588 0.02 . 1 . . . . . . . . 6957 1 392 . 1 1 35 35 CYS HA H 1 3.116 0.02 . 1 . . . . . . . . 6957 1 393 . 1 1 35 35 CYS HB2 H 1 2.601 0.02 . 2 . . . . . . . . 6957 1 394 . 1 1 35 35 CYS HB3 H 1 2.508 0.02 . 2 . . . . . . . . 6957 1 395 . 1 1 35 35 CYS C C 13 176.907 0.1 . 1 . . . . . . . . 6957 1 396 . 1 1 35 35 CYS CA C 13 63.601 0.1 . 1 . . . . . . . . 6957 1 397 . 1 1 35 35 CYS CB C 13 26.900 0.1 . 1 . . . . . . . . 6957 1 398 . 1 1 35 35 CYS N N 15 120.686 0.1 . 1 . . . . . . . . 6957 1 399 . 1 1 36 36 ARG H H 1 7.962 0.02 . 1 . . . . . . . . 6957 1 400 . 1 1 36 36 ARG HA H 1 3.616 0.02 . 1 . . . . . . . . 6957 1 401 . 1 1 36 36 ARG HB2 H 1 1.978 0.02 . 1 . . . . . . . . 6957 1 402 . 1 1 36 36 ARG HB3 H 1 1.978 0.02 . 1 . . . . . . . . 6957 1 403 . 1 1 36 36 ARG HG2 H 1 1.528 0.02 . 2 . . . . . . . . 6957 1 404 . 1 1 36 36 ARG HG3 H 1 1.745 0.02 . 2 . . . . . . . . 6957 1 405 . 1 1 36 36 ARG HD2 H 1 3.228 0.02 . 2 . . . . . . . . 6957 1 406 . 1 1 36 36 ARG HD3 H 1 3.164 0.02 . 2 . . . . . . . . 6957 1 407 . 1 1 36 36 ARG C C 13 179.603 0.1 . 1 . . . . . . . . 6957 1 408 . 1 1 36 36 ARG CA C 13 60.594 0.1 . 1 . . . . . . . . 6957 1 409 . 1 1 36 36 ARG CB C 13 30.390 0.1 . 1 . . . . . . . . 6957 1 410 . 1 1 36 36 ARG CG C 13 28.824 0.189 . 1 . . . . . . . . 6957 1 411 . 1 1 36 36 ARG CD C 13 43.162 0.1 . 1 . . . . . . . . 6957 1 412 . 1 1 36 36 ARG N N 15 118.730 0.1 . 1 . . . . . . . . 6957 1 413 . 1 1 37 37 GLN H H 1 8.308 0.02 . 1 . . . . . . . . 6957 1 414 . 1 1 37 37 GLN HA H 1 3.978 0.02 . 1 . . . . . . . . 6957 1 415 . 1 1 37 37 GLN HB2 H 1 2.140 0.02 . 1 . . . . . . . . 6957 1 416 . 1 1 37 37 GLN HB3 H 1 2.140 0.02 . 1 . . . . . . . . 6957 1 417 . 1 1 37 37 GLN HG2 H 1 2.706 0.02 . 2 . . . . . . . . 6957 1 418 . 1 1 37 37 GLN HG3 H 1 2.449 0.02 . 2 . . . . . . . . 6957 1 419 . 1 1 37 37 GLN HE21 H 1 7.863 0.02 . 2 . . . . . . . . 6957 1 420 . 1 1 37 37 GLN HE22 H 1 6.725 0.02 . 2 . . . . . . . . 6957 1 421 . 1 1 37 37 GLN C C 13 176.812 0.1 . 1 . . . . . . . . 6957 1 422 . 1 1 37 37 GLN CA C 13 59.023 0.1 . 1 . . . . . . . . 6957 1 423 . 1 1 37 37 GLN CB C 13 28.913 0.1 . 1 . . . . . . . . 6957 1 424 . 1 1 37 37 GLN CG C 13 34.749 0.1 . 1 . . . . . . . . 6957 1 425 . 1 1 37 37 GLN N N 15 118.842 0.1 . 1 . . . . . . . . 6957 1 426 . 1 1 37 37 GLN NE2 N 15 111.659 0.001 . 1 . . . . . . . . 6957 1 427 . 1 1 38 38 TRP H H 1 7.345 0.02 . 1 . . . . . . . . 6957 1 428 . 1 1 38 38 TRP HA H 1 4.888 0.02 . 1 . . . . . . . . 6957 1 429 . 1 1 38 38 TRP HB2 H 1 3.321 0.02 . 2 . . . . . . . . 6957 1 430 . 1 1 38 38 TRP HB3 H 1 2.763 0.02 . 2 . . . . . . . . 6957 1 431 . 1 1 38 38 TRP HD1 H 1 7.177 0.02 . 1 . . . . . . . . 6957 1 432 . 1 1 38 38 TRP HE1 H 1 10.324 0.02 . 1 . . . . . . . . 6957 1 433 . 1 1 38 38 TRP HE3 H 1 7.113 0.02 . 1 . . . . . . . . 6957 1 434 . 1 1 38 38 TRP HZ2 H 1 7.364 0.02 . 1 . . . . . . . . 6957 1 435 . 1 1 38 38 TRP HZ3 H 1 7.099 0.02 . 1 . . . . . . . . 6957 1 436 . 1 1 38 38 TRP HH2 H 1 7.397 0.02 . 1 . . . . . . . . 6957 1 437 . 1 1 38 38 TRP C C 13 176.167 0.1 . 1 . . . . . . . . 6957 1 438 . 1 1 38 38 TRP CA C 13 58.022 0.1 . 1 . . . . . . . . 6957 1 439 . 1 1 38 38 TRP CB C 13 28.491 0.1 . 1 . . . . . . . . 6957 1 440 . 1 1 38 38 TRP CD1 C 13 126.871 0.1 . 1 . . . . . . . . 6957 1 441 . 1 1 38 38 TRP CE3 C 13 120.141 0.1 . 1 . . . . . . . . 6957 1 442 . 1 1 38 38 TRP CZ2 C 13 113.929 0.1 . 1 . . . . . . . . 6957 1 443 . 1 1 38 38 TRP CZ3 C 13 120.658 0.1 . 1 . . . . . . . . 6957 1 444 . 1 1 38 38 TRP CH2 C 13 125.835 0.1 . 1 . . . . . . . . 6957 1 445 . 1 1 38 38 TRP N N 15 117.183 0.1 . 1 . . . . . . . . 6957 1 446 . 1 1 38 38 TRP NE1 N 15 129.302 0.1 . 1 . . . . . . . . 6957 1 447 . 1 1 39 39 LEU H H 1 7.992 0.02 . 1 . . . . . . . . 6957 1 448 . 1 1 39 39 LEU HA H 1 3.235 0.02 . 1 . . . . . . . . 6957 1 449 . 1 1 39 39 LEU HB2 H 1 1.257 0.02 . 2 . . . . . . . . 6957 1 450 . 1 1 39 39 LEU HB3 H 1 0.972 0.800 . 2 . . . . . . . . 6957 1 451 . 1 1 39 39 LEU HG H 1 0.790 0.02 . 1 . . . . . . . . 6957 1 452 . 1 1 39 39 LEU HD11 H 1 0.281 0.02 . 2 . . . . . . . . 6957 1 453 . 1 1 39 39 LEU HD12 H 1 0.281 0.02 . 2 . . . . . . . . 6957 1 454 . 1 1 39 39 LEU HD13 H 1 0.281 0.02 . 2 . . . . . . . . 6957 1 455 . 1 1 39 39 LEU HD21 H 1 -0.640 0.010 . 2 . . . . . . . . 6957 1 456 . 1 1 39 39 LEU HD22 H 1 -0.640 0.010 . 2 . . . . . . . . 6957 1 457 . 1 1 39 39 LEU HD23 H 1 -0.640 0.010 . 2 . . . . . . . . 6957 1 458 . 1 1 39 39 LEU C C 13 177.392 0.009 . 1 . . . . . . . . 6957 1 459 . 1 1 39 39 LEU CA C 13 57.480 0.1 . 1 . . . . . . . . 6957 1 460 . 1 1 39 39 LEU CB C 13 42.838 0.1 . 1 . . . . . . . . 6957 1 461 . 1 1 39 39 LEU CG C 13 27.307 0.1 . 1 . . . . . . . . 6957 1 462 . 1 1 39 39 LEU CD1 C 13 26.984 0.1 . 1 . . . . . . . . 6957 1 463 . 1 1 39 39 LEU CD2 C 13 21.813 0.1 . 1 . . . . . . . . 6957 1 464 . 1 1 39 39 LEU N N 15 115.006 0.1 . 1 . . . . . . . . 6957 1 465 . 1 1 40 40 ARG H H 1 8.350 0.02 . 1 . . . . . . . . 6957 1 466 . 1 1 40 40 ARG HA H 1 4.132 0.02 . 1 . . . . . . . . 6957 1 467 . 1 1 40 40 ARG HB2 H 1 1.798 0.02 . 2 . . . . . . . . 6957 1 468 . 1 1 40 40 ARG HB3 H 1 1.921 0.02 . 2 . . . . . . . . 6957 1 469 . 1 1 40 40 ARG HG2 H 1 1.586 0.02 . 1 . . . . . . . . 6957 1 470 . 1 1 40 40 ARG HG3 H 1 1.586 0.02 . 1 . . . . . . . . 6957 1 471 . 1 1 40 40 ARG HD2 H 1 3.195 0.02 . 1 . . . . . . . . 6957 1 472 . 1 1 40 40 ARG HD3 H 1 3.195 0.02 . 1 . . . . . . . . 6957 1 473 . 1 1 40 40 ARG C C 13 173.983 0.1 . 1 . . . . . . . . 6957 1 474 . 1 1 40 40 ARG CA C 13 55.781 0.1 . 1 . . . . . . . . 6957 1 475 . 1 1 40 40 ARG CB C 13 29.249 0.1 . 1 . . . . . . . . 6957 1 476 . 1 1 40 40 ARG CG C 13 27.307 0.1 . 1 . . . . . . . . 6957 1 477 . 1 1 40 40 ARG CD C 13 44.132 0.1 . 1 . . . . . . . . 6957 1 478 . 1 1 40 40 ARG N N 15 112.805 0.1 . 1 . . . . . . . . 6957 1 479 . 1 1 41 41 PRO HA H 1 4.349 0.02 . 1 . . . . . . . . 6957 1 480 . 1 1 41 41 PRO HB2 H 1 2.088 0.02 . 1 . . . . . . . . 6957 1 481 . 1 1 41 41 PRO HB3 H 1 2.088 0.02 . 1 . . . . . . . . 6957 1 482 . 1 1 41 41 PRO HG2 H 1 1.986 0.02 . 1 . . . . . . . . 6957 1 483 . 1 1 41 41 PRO HG3 H 1 1.986 0.02 . 1 . . . . . . . . 6957 1 484 . 1 1 41 41 PRO HD2 H 1 3.999 0.02 . 2 . . . . . . . . 6957 1 485 . 1 1 41 41 PRO HD3 H 1 3.178 0.02 . 2 . . . . . . . . 6957 1 486 . 1 1 41 41 PRO C C 13 175.767 0.1 . 1 . . . . . . . . 6957 1 487 . 1 1 41 41 PRO CA C 13 64.116 0.1 . 1 . . . . . . . . 6957 1 488 . 1 1 41 41 PRO CB C 13 32.395 0.1 . 1 . . . . . . . . 6957 1 489 . 1 1 41 41 PRO CG C 13 27.631 0.1 . 1 . . . . . . . . 6957 1 490 . 1 1 41 41 PRO CD C 13 51.251 0.1 . 1 . . . . . . . . 6957 1 491 . 1 1 42 42 GLU H H 1 9.829 0.02 . 1 . . . . . . . . 6957 1 492 . 1 1 42 42 GLU HA H 1 4.193 0.02 . 1 . . . . . . . . 6957 1 493 . 1 1 42 42 GLU HB2 H 1 1.990 0.02 . 1 . . . . . . . . 6957 1 494 . 1 1 42 42 GLU HB3 H 1 1.990 0.02 . 1 . . . . . . . . 6957 1 495 . 1 1 42 42 GLU HG2 H 1 2.387 0.02 . 2 . . . . . . . . 6957 1 496 . 1 1 42 42 GLU HG3 H 1 2.284 0.02 . 2 . . . . . . . . 6957 1 497 . 1 1 42 42 GLU C C 13 177.761 0.1 . 1 . . . . . . . . 6957 1 498 . 1 1 42 42 GLU CA C 13 58.833 0.1 . 1 . . . . . . . . 6957 1 499 . 1 1 42 42 GLU CB C 13 28.300 0.1 . 1 . . . . . . . . 6957 1 500 . 1 1 42 42 GLU CG C 13 36.367 0.1 . 1 . . . . . . . . 6957 1 501 . 1 1 42 42 GLU N N 15 119.067 0.1 . 1 . . . . . . . . 6957 1 502 . 1 1 43 43 VAL H H 1 7.781 0.02 . 1 . . . . . . . . 6957 1 503 . 1 1 43 43 VAL HA H 1 4.425 0.02 . 1 . . . . . . . . 6957 1 504 . 1 1 43 43 VAL HB H 1 2.191 0.02 . 1 . . . . . . . . 6957 1 505 . 1 1 43 43 VAL HG11 H 1 0.901 0.02 . 2 . . . . . . . . 6957 1 506 . 1 1 43 43 VAL HG12 H 1 0.901 0.02 . 2 . . . . . . . . 6957 1 507 . 1 1 43 43 VAL HG13 H 1 0.901 0.02 . 2 . . . . . . . . 6957 1 508 . 1 1 43 43 VAL HG21 H 1 0.884 0.02 . 2 . . . . . . . . 6957 1 509 . 1 1 43 43 VAL HG22 H 1 0.884 0.02 . 2 . . . . . . . . 6957 1 510 . 1 1 43 43 VAL HG23 H 1 0.884 0.02 . 2 . . . . . . . . 6957 1 511 . 1 1 43 43 VAL C C 13 175.705 0.013 . 1 . . . . . . . . 6957 1 512 . 1 1 43 43 VAL CA C 13 62.230 0.1 . 1 . . . . . . . . 6957 1 513 . 1 1 43 43 VAL CB C 13 34.559 0.1 . 1 . . . . . . . . 6957 1 514 . 1 1 43 43 VAL CG1 C 13 21.813 0.1 . 1 . . . . . . . . 6957 1 515 . 1 1 43 43 VAL CG2 C 13 20.195 0.1 . 1 . . . . . . . . 6957 1 516 . 1 1 43 43 VAL N N 15 114.146 0.1 . 1 . . . . . . . . 6957 1 517 . 1 1 44 44 ARG H H 1 8.027 0.02 . 1 . . . . . . . . 6957 1 518 . 1 1 44 44 ARG HA H 1 4.631 0.02 . 1 . . . . . . . . 6957 1 519 . 1 1 44 44 ARG HB2 H 1 1.528 0.02 . 2 . . . . . . . . 6957 1 520 . 1 1 44 44 ARG HB3 H 1 1.703 0.02 . 2 . . . . . . . . 6957 1 521 . 1 1 44 44 ARG HG2 H 1 1.769 0.02 . 2 . . . . . . . . 6957 1 522 . 1 1 44 44 ARG HG3 H 1 1.479 0.02 . 2 . . . . . . . . 6957 1 523 . 1 1 44 44 ARG HD2 H 1 3.063 0.02 . 2 . . . . . . . . 6957 1 524 . 1 1 44 44 ARG HD3 H 1 2.772 0.02 . 2 . . . . . . . . 6957 1 525 . 1 1 44 44 ARG C C 13 175.478 0.014 . 1 . . . . . . . . 6957 1 526 . 1 1 44 44 ARG CA C 13 56.613 0.1 . 1 . . . . . . . . 6957 1 527 . 1 1 44 44 ARG CB C 13 32.607 0.1 . 1 . . . . . . . . 6957 1 528 . 1 1 44 44 ARG CG C 13 30.219 0.1 . 1 . . . . . . . . 6957 1 529 . 1 1 44 44 ARG CD C 13 43.485 0.1 . 1 . . . . . . . . 6957 1 530 . 1 1 44 44 ARG N N 15 122.120 0.1 . 1 . . . . . . . . 6957 1 531 . 1 1 45 45 SER H H 1 8.542 0.02 . 1 . . . . . . . . 6957 1 532 . 1 1 45 45 SER HA H 1 4.445 0.02 . 1 . . . . . . . . 6957 1 533 . 1 1 45 45 SER HB2 H 1 4.445 0.02 . 2 . . . . . . . . 6957 1 534 . 1 1 45 45 SER HB3 H 1 3.996 0.02 . 2 . . . . . . . . 6957 1 535 . 1 1 45 45 SER C C 13 175.730 0.1 . 1 . . . . . . . . 6957 1 536 . 1 1 45 45 SER CA C 13 56.667 0.1 . 1 . . . . . . . . 6957 1 537 . 1 1 45 45 SER CB C 13 65.805 0.1 . 1 . . . . . . . . 6957 1 538 . 1 1 45 45 SER N N 15 115.251 0.1 . 1 . . . . . . . . 6957 1 539 . 1 1 46 46 LYS H H 1 9.093 0.02 . 1 . . . . . . . . 6957 1 540 . 1 1 46 46 LYS HA H 1 3.790 0.02 . 1 . . . . . . . . 6957 1 541 . 1 1 46 46 LYS HB2 H 1 1.498 0.02 . 2 . . . . . . . . 6957 1 542 . 1 1 46 46 LYS HB3 H 1 1.873 0.02 . 2 . . . . . . . . 6957 1 543 . 1 1 46 46 LYS HG2 H 1 1.622 0.02 . 2 . . . . . . . . 6957 1 544 . 1 1 46 46 LYS HG3 H 1 1.168 0.02 . 2 . . . . . . . . 6957 1 545 . 1 1 46 46 LYS HD2 H 1 1.742 0.02 . 1 . . . . . . . . 6957 1 546 . 1 1 46 46 LYS HD3 H 1 1.742 0.02 . 1 . . . . . . . . 6957 1 547 . 1 1 46 46 LYS HE2 H 1 3.081 0.02 . 2 . . . . . . . . 6957 1 548 . 1 1 46 46 LYS HE3 H 1 2.984 0.02 . 2 . . . . . . . . 6957 1 549 . 1 1 46 46 LYS C C 13 178.369 0.1 . 1 . . . . . . . . 6957 1 550 . 1 1 46 46 LYS CA C 13 61.677 0.1 . 1 . . . . . . . . 6957 1 551 . 1 1 46 46 LYS CB C 13 33.500 0.1 . 1 . . . . . . . . 6957 1 552 . 1 1 46 46 LYS CG C 13 27.954 0.1 . 1 . . . . . . . . 6957 1 553 . 1 1 46 46 LYS CD C 13 30.867 0.1 . 1 . . . . . . . . 6957 1 554 . 1 1 46 46 LYS CE C 13 42.515 0.1 . 1 . . . . . . . . 6957 1 555 . 1 1 46 46 LYS N N 15 119.985 0.1 . 1 . . . . . . . . 6957 1 556 . 1 1 47 47 GLU H H 1 8.707 0.02 . 1 . . . . . . . . 6957 1 557 . 1 1 47 47 GLU HA H 1 3.833 0.02 . 1 . . . . . . . . 6957 1 558 . 1 1 47 47 GLU HB2 H 1 2.013 0.02 . 2 . . . . . . . . 6957 1 559 . 1 1 47 47 GLU HB3 H 1 1.939 0.02 . 2 . . . . . . . . 6957 1 560 . 1 1 47 47 GLU HG2 H 1 2.417 0.02 . 2 . . . . . . . . 6957 1 561 . 1 1 47 47 GLU HG3 H 1 2.220 0.02 . 2 . . . . . . . . 6957 1 562 . 1 1 47 47 GLU C C 13 179.223 0.1 . 1 . . . . . . . . 6957 1 563 . 1 1 47 47 GLU CA C 13 61.056 0.1 . 1 . . . . . . . . 6957 1 564 . 1 1 47 47 GLU CB C 13 29.282 0.1 . 1 . . . . . . . . 6957 1 565 . 1 1 47 47 GLU CG C 13 37.338 0.1 . 1 . . . . . . . . 6957 1 566 . 1 1 47 47 GLU N N 15 116.916 0.1 . 1 . . . . . . . . 6957 1 567 . 1 1 48 48 GLN H H 1 7.849 0.02 . 1 . . . . . . . . 6957 1 568 . 1 1 48 48 GLN HA H 1 3.952 0.02 . 1 . . . . . . . . 6957 1 569 . 1 1 48 48 GLN HB2 H 1 2.338 0.02 . 1 . . . . . . . . 6957 1 570 . 1 1 48 48 GLN HB3 H 1 2.338 0.02 . 1 . . . . . . . . 6957 1 571 . 1 1 48 48 GLN HG2 H 1 2.445 0.02 . 1 . . . . . . . . 6957 1 572 . 1 1 48 48 GLN HG3 H 1 2.445 0.02 . 1 . . . . . . . . 6957 1 573 . 1 1 48 48 GLN C C 13 180.153 0.1 . 1 . . . . . . . . 6957 1 574 . 1 1 48 48 GLN CA C 13 58.889 0.1 . 1 . . . . . . . . 6957 1 575 . 1 1 48 48 GLN CB C 13 29.652 0.1 . 1 . . . . . . . . 6957 1 576 . 1 1 48 48 GLN CG C 13 34.749 0.1 . 1 . . . . . . . . 6957 1 577 . 1 1 48 48 GLN N N 15 118.663 0.1 . 1 . . . . . . . . 6957 1 578 . 1 1 49 49 MET H H 1 8.241 0.02 . 1 . . . . . . . . 6957 1 579 . 1 1 49 49 MET HA H 1 3.662 0.02 . 1 . . . . . . . . 6957 1 580 . 1 1 49 49 MET HB2 H 1 2.220 0.02 . 2 . . . . . . . . 6957 1 581 . 1 1 49 49 MET HB3 H 1 1.664 0.02 . 2 . . . . . . . . 6957 1 582 . 1 1 49 49 MET HG2 H 1 2.149 0.02 . 2 . . . . . . . . 6957 1 583 . 1 1 49 49 MET HG3 H 1 2.595 0.02 . 2 . . . . . . . . 6957 1 584 . 1 1 49 49 MET HE1 H 1 1.774 0.02 . 1 . . . . . . . . 6957 1 585 . 1 1 49 49 MET HE2 H 1 1.774 0.02 . 1 . . . . . . . . 6957 1 586 . 1 1 49 49 MET HE3 H 1 1.774 0.02 . 1 . . . . . . . . 6957 1 587 . 1 1 49 49 MET C C 13 177.401 0.1 . 1 . . . . . . . . 6957 1 588 . 1 1 49 49 MET CA C 13 60.593 0.1 . 1 . . . . . . . . 6957 1 589 . 1 1 49 49 MET CB C 13 33.873 0.1 . 1 . . . . . . . . 6957 1 590 . 1 1 49 49 MET CG C 13 31.514 0.1 . 1 . . . . . . . . 6957 1 591 . 1 1 49 49 MET CE C 13 15.665 0.1 . 1 . . . . . . . . 6957 1 592 . 1 1 49 49 MET N N 15 119.016 0.1 . 1 . . . . . . . . 6957 1 593 . 1 1 50 50 LEU H H 1 8.048 0.02 . 1 . . . . . . . . 6957 1 594 . 1 1 50 50 LEU HA H 1 3.763 0.02 . 1 . . . . . . . . 6957 1 595 . 1 1 50 50 LEU HB2 H 1 1.756 0.02 . 1 . . . . . . . . 6957 1 596 . 1 1 50 50 LEU HB3 H 1 1.756 0.02 . 1 . . . . . . . . 6957 1 597 . 1 1 50 50 LEU HG H 1 1.819 0.02 . 1 . . . . . . . . 6957 1 598 . 1 1 50 50 LEU HD11 H 1 0.738 0.02 . 2 . . . . . . . . 6957 1 599 . 1 1 50 50 LEU HD12 H 1 0.738 0.02 . 2 . . . . . . . . 6957 1 600 . 1 1 50 50 LEU HD13 H 1 0.738 0.02 . 2 . . . . . . . . 6957 1 601 . 1 1 50 50 LEU C C 13 179.410 0.003 . 1 . . . . . . . . 6957 1 602 . 1 1 50 50 LEU CA C 13 59.701 0.1 . 1 . . . . . . . . 6957 1 603 . 1 1 50 50 LEU CB C 13 41.153 0.1 . 1 . . . . . . . . 6957 1 604 . 1 1 50 50 LEU CG C 13 28.925 0.1 . 1 . . . . . . . . 6957 1 605 . 1 1 50 50 LEU CD1 C 13 25.366 0.1 . 1 . . . . . . . . 6957 1 606 . 1 1 50 50 LEU N N 15 118.791 0.1 . 1 . . . . . . . . 6957 1 607 . 1 1 51 51 GLU H H 1 7.872 0.02 . 1 . . . . . . . . 6957 1 608 . 1 1 51 51 GLU HA H 1 4.073 0.02 . 1 . . . . . . . . 6957 1 609 . 1 1 51 51 GLU HB2 H 1 2.122 0.02 . 1 . . . . . . . . 6957 1 610 . 1 1 51 51 GLU HB3 H 1 2.122 0.02 . 1 . . . . . . . . 6957 1 611 . 1 1 51 51 GLU HG2 H 1 2.390 0.02 . 2 . . . . . . . . 6957 1 612 . 1 1 51 51 GLU HG3 H 1 2.259 0.02 . 2 . . . . . . . . 6957 1 613 . 1 1 51 51 GLU C C 13 179.223 0.1 . 1 . . . . . . . . 6957 1 614 . 1 1 51 51 GLU CA C 13 59.701 0.1 . 1 . . . . . . . . 6957 1 615 . 1 1 51 51 GLU CB C 13 30.549 0.1 . 1 . . . . . . . . 6957 1 616 . 1 1 51 51 GLU CG C 13 37.338 0.1 . 1 . . . . . . . . 6957 1 617 . 1 1 51 51 GLU N N 15 117.572 0.1 . 1 . . . . . . . . 6957 1 618 . 1 1 52 52 LEU H H 1 7.190 0.02 . 1 . . . . . . . . 6957 1 619 . 1 1 52 52 LEU HA H 1 4.190 0.02 . 1 . . . . . . . . 6957 1 620 . 1 1 52 52 LEU HB2 H 1 1.338 0.02 . 2 . . . . . . . . 6957 1 621 . 1 1 52 52 LEU HB3 H 1 1.765 0.02 . 2 . . . . . . . . 6957 1 622 . 1 1 52 52 LEU HG H 1 1.806 0.02 . 1 . . . . . . . . 6957 1 623 . 1 1 52 52 LEU HD11 H 1 0.667 0.02 . 2 . . . . . . . . 6957 1 624 . 1 1 52 52 LEU HD12 H 1 0.667 0.02 . 2 . . . . . . . . 6957 1 625 . 1 1 52 52 LEU HD13 H 1 0.667 0.02 . 2 . . . . . . . . 6957 1 626 . 1 1 52 52 LEU HD21 H 1 0.888 0.02 . 2 . . . . . . . . 6957 1 627 . 1 1 52 52 LEU HD22 H 1 0.888 0.02 . 2 . . . . . . . . 6957 1 628 . 1 1 52 52 LEU HD23 H 1 0.888 0.02 . 2 . . . . . . . . 6957 1 629 . 1 1 52 52 LEU C C 13 180.628 0.1 . 1 . . . . . . . . 6957 1 630 . 1 1 52 52 LEU CA C 13 58.508 0.1 . 1 . . . . . . . . 6957 1 631 . 1 1 52 52 LEU CB C 13 41.681 0.1 . 1 . . . . . . . . 6957 1 632 . 1 1 52 52 LEU CG C 13 27.631 0.1 . 1 . . . . . . . . 6957 1 633 . 1 1 52 52 LEU CD1 C 13 25.366 0.1 . 1 . . . . . . . . 6957 1 634 . 1 1 52 52 LEU CD2 C 13 23.101 0.1 . 1 . . . . . . . . 6957 1 635 . 1 1 52 52 LEU N N 15 118.755 0.1 . 1 . . . . . . . . 6957 1 636 . 1 1 53 53 LEU H H 1 7.569 0.02 . 1 . . . . . . . . 6957 1 637 . 1 1 53 53 LEU HA H 1 4.495 0.02 . 1 . . . . . . . . 6957 1 638 . 1 1 53 53 LEU HB2 H 1 1.690 0.02 . 2 . . . . . . . . 6957 1 639 . 1 1 53 53 LEU HB3 H 1 2.327 0.02 . 2 . . . . . . . . 6957 1 640 . 1 1 53 53 LEU HG H 1 1.809 0.02 . 1 . . . . . . . . 6957 1 641 . 1 1 53 53 LEU HD11 H 1 0.738 0.02 . 2 . . . . . . . . 6957 1 642 . 1 1 53 53 LEU HD12 H 1 0.738 0.02 . 2 . . . . . . . . 6957 1 643 . 1 1 53 53 LEU HD13 H 1 0.738 0.02 . 2 . . . . . . . . 6957 1 644 . 1 1 53 53 LEU HD21 H 1 0.999 0.02 . 2 . . . . . . . . 6957 1 645 . 1 1 53 53 LEU HD22 H 1 0.999 0.02 . 2 . . . . . . . . 6957 1 646 . 1 1 53 53 LEU HD23 H 1 0.999 0.02 . 2 . . . . . . . . 6957 1 647 . 1 1 53 53 LEU C C 13 181.539 0.1 . 1 . . . . . . . . 6957 1 648 . 1 1 53 53 LEU CA C 13 57.820 0.1 . 1 . . . . . . . . 6957 1 649 . 1 1 53 53 LEU CB C 13 42.261 0.1 . 1 . . . . . . . . 6957 1 650 . 1 1 53 53 LEU CG C 13 26.984 0.1 . 1 . . . . . . . . 6957 1 651 . 1 1 53 53 LEU CD1 C 13 27.631 0.1 . 1 . . . . . . . . 6957 1 652 . 1 1 53 53 LEU CD2 C 13 24.395 0.1 . 1 . . . . . . . . 6957 1 653 . 1 1 53 53 LEU N N 15 121.368 0.1 . 1 . . . . . . . . 6957 1 654 . 1 1 54 54 VAL H H 1 8.961 0.02 . 1 . . . . . . . . 6957 1 655 . 1 1 54 54 VAL HA H 1 3.716 0.001 . 1 . . . . . . . . 6957 1 656 . 1 1 54 54 VAL HB H 1 2.323 0.02 . 1 . . . . . . . . 6957 1 657 . 1 1 54 54 VAL HG11 H 1 0.905 0.02 . 2 . . . . . . . . 6957 1 658 . 1 1 54 54 VAL HG12 H 1 0.905 0.02 . 2 . . . . . . . . 6957 1 659 . 1 1 54 54 VAL HG13 H 1 0.905 0.02 . 2 . . . . . . . . 6957 1 660 . 1 1 54 54 VAL HG21 H 1 1.112 0.02 . 2 . . . . . . . . 6957 1 661 . 1 1 54 54 VAL HG22 H 1 1.112 0.02 . 2 . . . . . . . . 6957 1 662 . 1 1 54 54 VAL HG23 H 1 1.112 0.02 . 2 . . . . . . . . 6957 1 663 . 1 1 54 54 VAL C C 13 177.097 0.1 . 1 . . . . . . . . 6957 1 664 . 1 1 54 54 VAL CA C 13 67.962 0.1 . 1 . . . . . . . . 6957 1 665 . 1 1 54 54 VAL CB C 13 32.078 0.1 . 1 . . . . . . . . 6957 1 666 . 1 1 54 54 VAL CG1 C 13 21.813 0.1 . 1 . . . . . . . . 6957 1 667 . 1 1 54 54 VAL CG2 C 13 24.395 0.1 . 1 . . . . . . . . 6957 1 668 . 1 1 54 54 VAL N N 15 123.629 0.1 . 1 . . . . . . . . 6957 1 669 . 1 1 55 55 LEU H H 1 8.509 0.02 . 1 . . . . . . . . 6957 1 670 . 1 1 55 55 LEU HA H 1 3.935 0.02 . 1 . . . . . . . . 6957 1 671 . 1 1 55 55 LEU HB2 H 1 1.333 0.02 . 2 . . . . . . . . 6957 1 672 . 1 1 55 55 LEU HB3 H 1 2.266 0.02 . 2 . . . . . . . . 6957 1 673 . 1 1 55 55 LEU HG H 1 1.732 0.02 . 1 . . . . . . . . 6957 1 674 . 1 1 55 55 LEU HD11 H 1 0.814 0.02 . 2 . . . . . . . . 6957 1 675 . 1 1 55 55 LEU HD12 H 1 0.814 0.02 . 2 . . . . . . . . 6957 1 676 . 1 1 55 55 LEU HD13 H 1 0.814 0.02 . 2 . . . . . . . . 6957 1 677 . 1 1 55 55 LEU HD21 H 1 0.736 0.02 . 2 . . . . . . . . 6957 1 678 . 1 1 55 55 LEU HD22 H 1 0.736 0.02 . 2 . . . . . . . . 6957 1 679 . 1 1 55 55 LEU HD23 H 1 0.736 0.02 . 2 . . . . . . . . 6957 1 680 . 1 1 55 55 LEU C C 13 177.021 0.1 . 1 . . . . . . . . 6957 1 681 . 1 1 55 55 LEU CA C 13 58.996 0.1 . 1 . . . . . . . . 6957 1 682 . 1 1 55 55 LEU CB C 13 42.578 0.1 . 1 . . . . . . . . 6957 1 683 . 1 1 55 55 LEU CG C 13 26.660 0.1 . 1 . . . . . . . . 6957 1 684 . 1 1 55 55 LEU CD1 C 13 26.013 0.1 . 1 . . . . . . . . 6957 1 685 . 1 1 55 55 LEU CD2 C 13 23.425 0.1 . 1 . . . . . . . . 6957 1 686 . 1 1 55 55 LEU N N 15 120.961 0.1 . 1 . . . . . . . . 6957 1 687 . 1 1 56 56 GLU H H 1 7.747 0.02 . 1 . . . . . . . . 6957 1 688 . 1 1 56 56 GLU HA H 1 4.037 0.02 . 1 . . . . . . . . 6957 1 689 . 1 1 56 56 GLU HB2 H 1 2.471 0.02 . 1 . . . . . . . . 6957 1 690 . 1 1 56 56 GLU HB3 H 1 2.471 0.02 . 1 . . . . . . . . 6957 1 691 . 1 1 56 56 GLU HG2 H 1 2.139 0.02 . 1 . . . . . . . . 6957 1 692 . 1 1 56 56 GLU HG3 H 1 2.139 0.02 . 1 . . . . . . . . 6957 1 693 . 1 1 56 56 GLU C C 13 178.957 0.1 . 1 . . . . . . . . 6957 1 694 . 1 1 56 56 GLU CA C 13 59.808 0.1 . 1 . . . . . . . . 6957 1 695 . 1 1 56 56 GLU CB C 13 30.180 0.1 . 1 . . . . . . . . 6957 1 696 . 1 1 56 56 GLU CG C 13 37.014 0.1 . 1 . . . . . . . . 6957 1 697 . 1 1 56 56 GLU N N 15 116.527 0.1 . 1 . . . . . . . . 6957 1 698 . 1 1 57 57 GLN H H 1 7.918 0.02 . 1 . . . . . . . . 6957 1 699 . 1 1 57 57 GLN HA H 1 3.969 0.02 . 1 . . . . . . . . 6957 1 700 . 1 1 57 57 GLN HB2 H 1 1.742 0.02 . 2 . . . . . . . . 6957 1 701 . 1 1 57 57 GLN HB3 H 1 1.663 0.02 . 2 . . . . . . . . 6957 1 702 . 1 1 57 57 GLN HG2 H 1 1.279 0.02 . 2 . . . . . . . . 6957 1 703 . 1 1 57 57 GLN HG3 H 1 1.838 0.02 . 2 . . . . . . . . 6957 1 704 . 1 1 57 57 GLN HE21 H 1 6.673 0.02 . 2 . . . . . . . . 6957 1 705 . 1 1 57 57 GLN HE22 H 1 6.443 0.02 . 2 . . . . . . . . 6957 1 706 . 1 1 57 57 GLN C C 13 176.661 0.001 . 1 . . . . . . . . 6957 1 707 . 1 1 57 57 GLN CA C 13 57.615 0.1 . 1 . . . . . . . . 6957 1 708 . 1 1 57 57 GLN CB C 13 29.863 0.1 . 1 . . . . . . . . 6957 1 709 . 1 1 57 57 GLN CG C 13 34.102 0.1 . 1 . . . . . . . . 6957 1 710 . 1 1 57 57 GLN N N 15 119.045 0.1 . 1 . . . . . . . . 6957 1 711 . 1 1 57 57 GLN NE2 N 15 114.907 0.1 . 1 . . . . . . . . 6957 1 712 . 1 1 58 58 PHE H H 1 9.154 0.02 . 1 . . . . . . . . 6957 1 713 . 1 1 58 58 PHE HA H 1 3.992 0.02 . 1 . . . . . . . . 6957 1 714 . 1 1 58 58 PHE HB2 H 1 3.051 0.02 . 2 . . . . . . . . 6957 1 715 . 1 1 58 58 PHE HB3 H 1 3.102 0.02 . 2 . . . . . . . . 6957 1 716 . 1 1 58 58 PHE HD1 H 1 6.917 0.02 . 1 . . . . . . . . 6957 1 717 . 1 1 58 58 PHE HD2 H 1 6.917 0.02 . 1 . . . . . . . . 6957 1 718 . 1 1 58 58 PHE HE1 H 1 7.048 0.02 . 1 . . . . . . . . 6957 1 719 . 1 1 58 58 PHE HE2 H 1 7.048 0.02 . 1 . . . . . . . . 6957 1 720 . 1 1 58 58 PHE HZ H 1 6.891 0.02 . 1 . . . . . . . . 6957 1 721 . 1 1 58 58 PHE C C 13 176.657 0.1 . 1 . . . . . . . . 6957 1 722 . 1 1 58 58 PHE CA C 13 61.732 0.1 . 1 . . . . . . . . 6957 1 723 . 1 1 58 58 PHE CB C 13 39.888 0.1 . 1 . . . . . . . . 6957 1 724 . 1 1 58 58 PHE CD1 C 13 131.530 0.1 . 1 . . . . . . . . 6957 1 725 . 1 1 58 58 PHE CE1 C 13 131.012 0.1 . 1 . . . . . . . . 6957 1 726 . 1 1 58 58 PHE CZ C 13 128.400 0.1 . 1 . . . . . . . . 6957 1 727 . 1 1 58 58 PHE N N 15 120.251 0.1 . 1 . . . . . . . . 6957 1 728 . 1 1 59 59 LEU H H 1 8.134 0.02 . 1 . . . . . . . . 6957 1 729 . 1 1 59 59 LEU HA H 1 3.752 0.02 . 1 . . . . . . . . 6957 1 730 . 1 1 59 59 LEU HB2 H 1 1.930 0.02 . 2 . . . . . . . . 6957 1 731 . 1 1 59 59 LEU HB3 H 1 1.369 0.02 . 2 . . . . . . . . 6957 1 732 . 1 1 59 59 LEU HG H 1 1.996 0.02 . 1 . . . . . . . . 6957 1 733 . 1 1 59 59 LEU HD11 H 1 0.933 0.02 . 2 . . . . . . . . 6957 1 734 . 1 1 59 59 LEU HD12 H 1 0.933 0.02 . 2 . . . . . . . . 6957 1 735 . 1 1 59 59 LEU HD13 H 1 0.933 0.02 . 2 . . . . . . . . 6957 1 736 . 1 1 59 59 LEU HD21 H 1 0.796 0.02 . 2 . . . . . . . . 6957 1 737 . 1 1 59 59 LEU HD22 H 1 0.796 0.02 . 2 . . . . . . . . 6957 1 738 . 1 1 59 59 LEU HD23 H 1 0.796 0.02 . 2 . . . . . . . . 6957 1 739 . 1 1 59 59 LEU C C 13 179.907 0.1 . 1 . . . . . . . . 6957 1 740 . 1 1 59 59 LEU CA C 13 57.750 0.1 . 1 . . . . . . . . 6957 1 741 . 1 1 59 59 LEU CB C 13 41.681 0.1 . 1 . . . . . . . . 6957 1 742 . 1 1 59 59 LEU CG C 13 27.631 0.1 . 1 . . . . . . . . 6957 1 743 . 1 1 59 59 LEU CD1 C 13 26.013 0.1 . 1 . . . . . . . . 6957 1 744 . 1 1 59 59 LEU CD2 C 13 23.975 0.1 . 1 . . . . . . . . 6957 1 745 . 1 1 59 59 LEU N N 15 115.071 0.1 . 1 . . . . . . . . 6957 1 746 . 1 1 60 60 GLY H H 1 7.775 0.02 . 1 . . . . . . . . 6957 1 747 . 1 1 60 60 GLY HA2 H 1 3.757 0.02 . 2 . . . . . . . . 6957 1 748 . 1 1 60 60 GLY HA3 H 1 3.788 0.02 . 2 . . . . . . . . 6957 1 749 . 1 1 60 60 GLY C C 13 174.382 0.1 . 1 . . . . . . . . 6957 1 750 . 1 1 60 60 GLY CA C 13 46.536 0.1 . 1 . . . . . . . . 6957 1 751 . 1 1 60 60 GLY N N 15 104.103 0.1 . 1 . . . . . . . . 6957 1 752 . 1 1 61 61 ALA H H 1 7.614 0.02 . 1 . . . . . . . . 6957 1 753 . 1 1 61 61 ALA HA H 1 4.497 0.02 . 1 . . . . . . . . 6957 1 754 . 1 1 61 61 ALA HB1 H 1 1.612 0.02 . 1 . . . . . . . . 6957 1 755 . 1 1 61 61 ALA HB2 H 1 1.612 0.02 . 1 . . . . . . . . 6957 1 756 . 1 1 61 61 ALA HB3 H 1 1.612 0.02 . 1 . . . . . . . . 6957 1 757 . 1 1 61 61 ALA C C 13 177.521 0.006 . 1 . . . . . . . . 6957 1 758 . 1 1 61 61 ALA CA C 13 51.899 0.1 . 1 . . . . . . . . 6957 1 759 . 1 1 61 61 ALA CB C 13 20.524 0.1 . 1 . . . . . . . . 6957 1 760 . 1 1 61 61 ALA N N 15 121.422 0.1 . 1 . . . . . . . . 6957 1 761 . 1 1 62 62 LEU H H 1 6.934 0.02 . 1 . . . . . . . . 6957 1 762 . 1 1 62 62 LEU HA H 1 4.066 0.02 . 1 . . . . . . . . 6957 1 763 . 1 1 62 62 LEU HB2 H 1 1.544 0.02 . 2 . . . . . . . . 6957 1 764 . 1 1 62 62 LEU HB3 H 1 0.918 0.02 . 2 . . . . . . . . 6957 1 765 . 1 1 62 62 LEU HG H 1 1.874 0.02 . 1 . . . . . . . . 6957 1 766 . 1 1 62 62 LEU HD11 H 1 0.540 0.02 . 2 . . . . . . . . 6957 1 767 . 1 1 62 62 LEU HD12 H 1 0.540 0.02 . 2 . . . . . . . . 6957 1 768 . 1 1 62 62 LEU HD13 H 1 0.540 0.02 . 2 . . . . . . . . 6957 1 769 . 1 1 62 62 LEU HD21 H 1 -0.073 0.02 . 2 . . . . . . . . 6957 1 770 . 1 1 62 62 LEU HD22 H 1 -0.073 0.02 . 2 . . . . . . . . 6957 1 771 . 1 1 62 62 LEU HD23 H 1 -0.073 0.02 . 2 . . . . . . . . 6957 1 772 . 1 1 62 62 LEU C C 13 174.059 0.1 . 1 . . . . . . . . 6957 1 773 . 1 1 62 62 LEU CA C 13 53.192 0.1 . 1 . . . . . . . . 6957 1 774 . 1 1 62 62 LEU CB C 13 41.544 0.1 . 1 . . . . . . . . 6957 1 775 . 1 1 62 62 LEU CG C 13 25.042 0.1 . 1 . . . . . . . . 6957 1 776 . 1 1 62 62 LEU CD1 C 13 26.337 0.1 . 1 . . . . . . . . 6957 1 777 . 1 1 62 62 LEU CD2 C 13 21.489 0.1 . 1 . . . . . . . . 6957 1 778 . 1 1 62 62 LEU N N 15 119.172 0.1 . 1 . . . . . . . . 6957 1 779 . 1 1 63 63 PRO HA H 1 4.765 0.02 . 1 . . . . . . . . 6957 1 780 . 1 1 63 63 PRO HB2 H 1 2.582 0.02 . 2 . . . . . . . . 6957 1 781 . 1 1 63 63 PRO HB3 H 1 2.034 0.02 . 2 . . . . . . . . 6957 1 782 . 1 1 63 63 PRO HG2 H 1 2.284 0.02 . 2 . . . . . . . . 6957 1 783 . 1 1 63 63 PRO HG3 H 1 2.099 0.02 . 2 . . . . . . . . 6957 1 784 . 1 1 63 63 PRO HD2 H 1 3.818 0.02 . 2 . . . . . . . . 6957 1 785 . 1 1 63 63 PRO HD3 H 1 3.236 0.02 . 2 . . . . . . . . 6957 1 786 . 1 1 63 63 PRO CA C 13 61.928 0.1 . 1 . . . . . . . . 6957 1 787 . 1 1 63 63 PRO CB C 13 31.190 0.1 . 1 . . . . . . . . 6957 1 788 . 1 1 63 63 PRO CG C 13 28.278 0.1 . 1 . . . . . . . . 6957 1 789 . 1 1 63 63 PRO CD C 13 50.604 0.1 . 1 . . . . . . . . 6957 1 790 . 1 1 64 64 PRO HA H 1 4.161 0.02 . 1 . . . . . . . . 6957 1 791 . 1 1 64 64 PRO HB2 H 1 2.399 0.02 . 2 . . . . . . . . 6957 1 792 . 1 1 64 64 PRO HB3 H 1 1.988 0.02 . 2 . . . . . . . . 6957 1 793 . 1 1 64 64 PRO HG2 H 1 2.187 0.02 . 2 . . . . . . . . 6957 1 794 . 1 1 64 64 PRO HG3 H 1 2.101 0.02 . 2 . . . . . . . . 6957 1 795 . 1 1 64 64 PRO HD2 H 1 3.897 0.02 . 2 . . . . . . . . 6957 1 796 . 1 1 64 64 PRO HD3 H 1 3.835 0.02 . 2 . . . . . . . . 6957 1 797 . 1 1 64 64 PRO C C 13 178.616 0.1 . 1 . . . . . . . . 6957 1 798 . 1 1 64 64 PRO CA C 13 66.363 0.1 . 1 . . . . . . . . 6957 1 799 . 1 1 64 64 PRO CB C 13 32.607 0.1 . 1 . . . . . . . . 6957 1 800 . 1 1 64 64 PRO CG C 13 28.200 0.1 . 1 . . . . . . . . 6957 1 801 . 1 1 64 64 PRO CD C 13 50.927 0.1 . 1 . . . . . . . . 6957 1 802 . 1 1 65 65 GLU H H 1 9.547 0.02 . 1 . . . . . . . . 6957 1 803 . 1 1 65 65 GLU HA H 1 4.151 0.02 . 1 . . . . . . . . 6957 1 804 . 1 1 65 65 GLU HB2 H 1 2.045 0.02 . 1 . . . . . . . . 6957 1 805 . 1 1 65 65 GLU HB3 H 1 2.045 0.02 . 1 . . . . . . . . 6957 1 806 . 1 1 65 65 GLU HG2 H 1 2.338 0.02 . 1 . . . . . . . . 6957 1 807 . 1 1 65 65 GLU HG3 H 1 2.338 0.02 . 1 . . . . . . . . 6957 1 808 . 1 1 65 65 GLU C C 13 178.768 0.1 . 1 . . . . . . . . 6957 1 809 . 1 1 65 65 GLU CA C 13 59.944 0.1 . 1 . . . . . . . . 6957 1 810 . 1 1 65 65 GLU CB C 13 28.966 0.1 . 1 . . . . . . . . 6957 1 811 . 1 1 65 65 GLU CG C 13 36.691 0.1 . 1 . . . . . . . . 6957 1 812 . 1 1 65 65 GLU N N 15 117.560 0.1 . 1 . . . . . . . . 6957 1 813 . 1 1 66 66 ILE H H 1 7.361 0.02 . 1 . . . . . . . . 6957 1 814 . 1 1 66 66 ILE HA H 1 4.010 0.02 . 1 . . . . . . . . 6957 1 815 . 1 1 66 66 ILE HB H 1 1.815 0.02 . 1 . . . . . . . . 6957 1 816 . 1 1 66 66 ILE HG12 H 1 1.165 0.02 . 2 . . . . . . . . 6957 1 817 . 1 1 66 66 ILE HG13 H 1 1.577 0.02 . 2 . . . . . . . . 6957 1 818 . 1 1 66 66 ILE HG21 H 1 0.898 0.02 . 1 . . . . . . . . 6957 1 819 . 1 1 66 66 ILE HG22 H 1 0.898 0.02 . 1 . . . . . . . . 6957 1 820 . 1 1 66 66 ILE HG23 H 1 0.898 0.02 . 1 . . . . . . . . 6957 1 821 . 1 1 66 66 ILE HD11 H 1 0.878 0.02 . 1 . . . . . . . . 6957 1 822 . 1 1 66 66 ILE HD12 H 1 0.878 0.02 . 1 . . . . . . . . 6957 1 823 . 1 1 66 66 ILE HD13 H 1 0.878 0.02 . 1 . . . . . . . . 6957 1 824 . 1 1 66 66 ILE C C 13 177.230 0.1 . 1 . . . . . . . . 6957 1 825 . 1 1 66 66 ILE CA C 13 63.385 0.1 . 1 . . . . . . . . 6957 1 826 . 1 1 66 66 ILE CB C 13 38.780 0.1 . 1 . . . . . . . . 6957 1 827 . 1 1 66 66 ILE CG1 C 13 28.278 0.1 . 1 . . . . . . . . 6957 1 828 . 1 1 66 66 ILE CG2 C 13 19.224 0.1 . 1 . . . . . . . . 6957 1 829 . 1 1 66 66 ILE CD1 C 13 12.753 0.1 . 1 . . . . . . . . 6957 1 830 . 1 1 66 66 ILE N N 15 117.183 0.1 . 1 . . . . . . . . 6957 1 831 . 1 1 67 67 GLN H H 1 8.498 0.02 . 1 . . . . . . . . 6957 1 832 . 1 1 67 67 GLN HA H 1 3.561 0.02 . 1 . . . . . . . . 6957 1 833 . 1 1 67 67 GLN HB2 H 1 2.056 0.02 . 2 . . . . . . . . 6957 1 834 . 1 1 67 67 GLN HB3 H 1 1.950 0.02 . 2 . . . . . . . . 6957 1 835 . 1 1 67 67 GLN HG2 H 1 2.052 0.02 . 2 . . . . . . . . 6957 1 836 . 1 1 67 67 GLN HG3 H 1 2.374 0.003 . 2 . . . . . . . . 6957 1 837 . 1 1 67 67 GLN HE21 H 1 7.621 0.02 . 2 . . . . . . . . 6957 1 838 . 1 1 67 67 GLN HE22 H 1 6.714 0.02 . 2 . . . . . . . . 6957 1 839 . 1 1 67 67 GLN C C 13 177.799 0.1 . 1 . . . . . . . . 6957 1 840 . 1 1 67 67 GLN CA C 13 60.675 0.1 . 1 . . . . . . . . 6957 1 841 . 1 1 67 67 GLN CB C 13 29.705 0.1 . 1 . . . . . . . . 6957 1 842 . 1 1 67 67 GLN CG C 13 34.426 0.1 . 1 . . . . . . . . 6957 1 843 . 1 1 67 67 GLN N N 15 120.823 0.1 . 1 . . . . . . . . 6957 1 844 . 1 1 67 67 GLN NE2 N 15 112.445 0.003 . 1 . . . . . . . . 6957 1 845 . 1 1 68 68 ALA H H 1 8.082 0.02 . 1 . . . . . . . . 6957 1 846 . 1 1 68 68 ALA HA H 1 4.132 0.02 . 1 . . . . . . . . 6957 1 847 . 1 1 68 68 ALA HB1 H 1 1.446 0.02 . 1 . . . . . . . . 6957 1 848 . 1 1 68 68 ALA HB2 H 1 1.446 0.02 . 1 . . . . . . . . 6957 1 849 . 1 1 68 68 ALA HB3 H 1 1.446 0.02 . 1 . . . . . . . . 6957 1 850 . 1 1 68 68 ALA C C 13 180.704 0.1 . 1 . . . . . . . . 6957 1 851 . 1 1 68 68 ALA CA C 13 55.312 0.1 . 1 . . . . . . . . 6957 1 852 . 1 1 68 68 ALA CB C 13 18.625 0.1 . 1 . . . . . . . . 6957 1 853 . 1 1 68 68 ALA N N 15 118.446 0.1 . 1 . . . . . . . . 6957 1 854 . 1 1 69 69 ARG H H 1 7.356 0.02 . 1 . . . . . . . . 6957 1 855 . 1 1 69 69 ARG HA H 1 4.182 0.02 . 1 . . . . . . . . 6957 1 856 . 1 1 69 69 ARG HB2 H 1 1.995 0.02 . 2 . . . . . . . . 6957 1 857 . 1 1 69 69 ARG HB3 H 1 1.916 0.02 . 2 . . . . . . . . 6957 1 858 . 1 1 69 69 ARG HG2 H 1 1.833 0.02 . 2 . . . . . . . . 6957 1 859 . 1 1 69 69 ARG HG3 H 1 1.744 0.02 . 2 . . . . . . . . 6957 1 860 . 1 1 69 69 ARG HD2 H 1 3.244 0.02 . 1 . . . . . . . . 6957 1 861 . 1 1 69 69 ARG HD3 H 1 3.244 0.02 . 1 . . . . . . . . 6957 1 862 . 1 1 69 69 ARG C C 13 178.578 0.1 . 1 . . . . . . . . 6957 1 863 . 1 1 69 69 ARG CA C 13 58.265 0.1 . 1 . . . . . . . . 6957 1 864 . 1 1 69 69 ARG CB C 13 31.190 0.1 . 1 . . . . . . . . 6957 1 865 . 1 1 69 69 ARG CG C 13 27.631 0.1 . 1 . . . . . . . . 6957 1 866 . 1 1 69 69 ARG CD C 13 43.809 0.1 . 1 . . . . . . . . 6957 1 867 . 1 1 69 69 ARG N N 15 117.121 0.1 . 1 . . . . . . . . 6957 1 868 . 1 1 70 70 VAL H H 1 7.966 0.02 . 1 . . . . . . . . 6957 1 869 . 1 1 70 70 VAL HA H 1 3.797 0.02 . 1 . . . . . . . . 6957 1 870 . 1 1 70 70 VAL HB H 1 1.965 0.02 . 1 . . . . . . . . 6957 1 871 . 1 1 70 70 VAL HG11 H 1 0.870 0.02 . 1 . . . . . . . . 6957 1 872 . 1 1 70 70 VAL HG12 H 1 0.870 0.02 . 1 . . . . . . . . 6957 1 873 . 1 1 70 70 VAL HG13 H 1 0.870 0.02 . 1 . . . . . . . . 6957 1 874 . 1 1 70 70 VAL HG21 H 1 0.870 0.02 . 1 . . . . . . . . 6957 1 875 . 1 1 70 70 VAL HG22 H 1 0.870 0.02 . 1 . . . . . . . . 6957 1 876 . 1 1 70 70 VAL HG23 H 1 0.870 0.02 . 1 . . . . . . . . 6957 1 877 . 1 1 70 70 VAL C C 13 177.685 0.1 . 1 . . . . . . . . 6957 1 878 . 1 1 70 70 VAL CA C 13 65.632 0.1 . 1 . . . . . . . . 6957 1 879 . 1 1 70 70 VAL CB C 13 32.551 0.1 . 1 . . . . . . . . 6957 1 880 . 1 1 70 70 VAL CG1 C 13 22.460 0.1 . 1 . . . . . . . . 6957 1 881 . 1 1 70 70 VAL N N 15 117.892 0.1 . 1 . . . . . . . . 6957 1 882 . 1 1 71 71 GLN H H 1 8.577 0.02 . 1 . . . . . . . . 6957 1 883 . 1 1 71 71 GLN HA H 1 3.973 0.02 . 1 . . . . . . . . 6957 1 884 . 1 1 71 71 GLN HB2 H 1 2.094 0.02 . 1 . . . . . . . . 6957 1 885 . 1 1 71 71 GLN HB3 H 1 2.094 0.02 . 1 . . . . . . . . 6957 1 886 . 1 1 71 71 GLN HG2 H 1 2.400 0.02 . 1 . . . . . . . . 6957 1 887 . 1 1 71 71 GLN HG3 H 1 2.400 0.02 . 1 . . . . . . . . 6957 1 888 . 1 1 71 71 GLN HE21 H 1 7.257 0.02 . 2 . . . . . . . . 6957 1 889 . 1 1 71 71 GLN HE22 H 1 6.696 0.02 . 2 . . . . . . . . 6957 1 890 . 1 1 71 71 GLN C C 13 179.565 0.1 . 1 . . . . . . . . 6957 1 891 . 1 1 71 71 GLN CA C 13 59.375 0.1 . 1 . . . . . . . . 6957 1 892 . 1 1 71 71 GLN CB C 13 28.702 0.1 . 1 . . . . . . . . 6957 1 893 . 1 1 71 71 GLN CG C 13 34.426 0.1 . 1 . . . . . . . . 6957 1 894 . 1 1 71 71 GLN N N 15 118.938 0.1 . 1 . . . . . . . . 6957 1 895 . 1 1 71 71 GLN NE2 N 15 110.681 0.001 . 1 . . . . . . . . 6957 1 896 . 1 1 72 72 GLY H H 1 8.067 0.02 . 1 . . . . . . . . 6957 1 897 . 1 1 72 72 GLY HA2 H 1 3.951 0.02 . 1 . . . . . . . . 6957 1 898 . 1 1 72 72 GLY HA3 H 1 3.951 0.02 . 1 . . . . . . . . 6957 1 899 . 1 1 72 72 GLY C C 13 174.667 0.1 . 1 . . . . . . . . 6957 1 900 . 1 1 72 72 GLY CA C 13 46.374 0.1 . 1 . . . . . . . . 6957 1 901 . 1 1 72 72 GLY N N 15 106.656 0.1 . 1 . . . . . . . . 6957 1 902 . 1 1 73 73 GLN H H 1 7.462 0.02 . 1 . . . . . . . . 6957 1 903 . 1 1 73 73 GLN HA H 1 4.327 0.02 . 1 . . . . . . . . 6957 1 904 . 1 1 73 73 GLN HB2 H 1 2.299 0.02 . 1 . . . . . . . . 6957 1 905 . 1 1 73 73 GLN HB3 H 1 2.299 0.02 . 1 . . . . . . . . 6957 1 906 . 1 1 73 73 GLN HG2 H 1 2.438 0.02 . 1 . . . . . . . . 6957 1 907 . 1 1 73 73 GLN HG3 H 1 2.438 0.02 . 1 . . . . . . . . 6957 1 908 . 1 1 73 73 GLN HE21 H 1 7.486 0.02 . 2 . . . . . . . . 6957 1 909 . 1 1 73 73 GLN HE22 H 1 6.899 0.02 . 2 . . . . . . . . 6957 1 910 . 1 1 73 73 GLN C C 13 175.104 0.1 . 1 . . . . . . . . 6957 1 911 . 1 1 73 73 GLN CA C 13 55.718 0.1 . 1 . . . . . . . . 6957 1 912 . 1 1 73 73 GLN CB C 13 29.570 0.1 . 1 . . . . . . . . 6957 1 913 . 1 1 73 73 GLN CG C 13 34.426 0.1 . 1 . . . . . . . . 6957 1 914 . 1 1 73 73 GLN N N 15 118.051 0.1 . 1 . . . . . . . . 6957 1 915 . 1 1 73 73 GLN NE2 N 15 112.327 0.1 . 1 . . . . . . . . 6957 1 916 . 1 1 74 74 ARG H H 1 8.017 0.02 . 1 . . . . . . . . 6957 1 917 . 1 1 74 74 ARG HA H 1 4.315 0.02 . 1 . . . . . . . . 6957 1 918 . 1 1 74 74 ARG HB2 H 1 1.764 0.02 . 2 . . . . . . . . 6957 1 919 . 1 1 74 74 ARG HB3 H 1 1.710 0.02 . 2 . . . . . . . . 6957 1 920 . 1 1 74 74 ARG HG2 H 1 1.528 0.02 . 1 . . . . . . . . 6957 1 921 . 1 1 74 74 ARG HG3 H 1 1.528 0.02 . 1 . . . . . . . . 6957 1 922 . 1 1 74 74 ARG HD2 H 1 3.271 0.02 . 2 . . . . . . . . 6957 1 923 . 1 1 74 74 ARG HD3 H 1 3.145 0.02 . 2 . . . . . . . . 6957 1 924 . 1 1 74 74 ARG C C 13 173.053 0.1 . 1 . . . . . . . . 6957 1 925 . 1 1 74 74 ARG CA C 13 55.457 0.1 . 1 . . . . . . . . 6957 1 926 . 1 1 74 74 ARG CB C 13 28.925 0.1 . 1 . . . . . . . . 6957 1 927 . 1 1 74 74 ARG CG C 13 26.013 0.1 . 1 . . . . . . . . 6957 1 928 . 1 1 74 74 ARG CD C 13 43.485 0.1 . 1 . . . . . . . . 6957 1 929 . 1 1 74 74 ARG N N 15 116.417 0.1 . 1 . . . . . . . . 6957 1 930 . 1 1 75 75 PRO HA H 1 4.462 0.02 . 1 . . . . . . . . 6957 1 931 . 1 1 75 75 PRO HB2 H 1 1.886 0.02 . 2 . . . . . . . . 6957 1 932 . 1 1 75 75 PRO HB3 H 1 1.990 0.02 . 2 . . . . . . . . 6957 1 933 . 1 1 75 75 PRO HG2 H 1 2.105 0.02 . 2 . . . . . . . . 6957 1 934 . 1 1 75 75 PRO HG3 H 1 1.749 0.02 . 2 . . . . . . . . 6957 1 935 . 1 1 75 75 PRO HD2 H 1 3.599 0.02 . 2 . . . . . . . . 6957 1 936 . 1 1 75 75 PRO HD3 H 1 3.661 0.02 . 2 . . . . . . . . 6957 1 937 . 1 1 75 75 PRO C C 13 177.538 0.1 . 1 . . . . . . . . 6957 1 938 . 1 1 75 75 PRO CA C 13 62.992 0.1 . 1 . . . . . . . . 6957 1 939 . 1 1 75 75 PRO CB C 13 32.184 0.1 . 1 . . . . . . . . 6957 1 940 . 1 1 75 75 PRO CG C 13 28.278 0.1 . 1 . . . . . . . . 6957 1 941 . 1 1 75 75 PRO CD C 13 50.604 0.1 . 1 . . . . . . . . 6957 1 942 . 1 1 76 76 GLY H H 1 8.920 0.02 . 1 . . . . . . . . 6957 1 943 . 1 1 76 76 GLY HA2 H 1 4.280 0.02 . 2 . . . . . . . . 6957 1 944 . 1 1 76 76 GLY HA3 H 1 3.819 0.02 . 2 . . . . . . . . 6957 1 945 . 1 1 76 76 GLY C C 13 173.655 0.013 . 1 . . . . . . . . 6957 1 946 . 1 1 76 76 GLY CA C 13 45.426 0.1 . 1 . . . . . . . . 6957 1 947 . 1 1 76 76 GLY N N 15 107.400 0.1 . 1 . . . . . . . . 6957 1 948 . 1 1 77 77 SER H H 1 7.454 0.02 . 1 . . . . . . . . 6957 1 949 . 1 1 77 77 SER HA H 1 5.020 0.02 . 1 . . . . . . . . 6957 1 950 . 1 1 77 77 SER HB2 H 1 4.309 0.02 . 2 . . . . . . . . 6957 1 951 . 1 1 77 77 SER HB3 H 1 3.993 0.02 . 2 . . . . . . . . 6957 1 952 . 1 1 77 77 SER C C 13 172.920 0.1 . 1 . . . . . . . . 6957 1 953 . 1 1 77 77 SER CA C 13 55.781 0.1 . 1 . . . . . . . . 6957 1 954 . 1 1 77 77 SER CB C 13 64.835 0.1 . 1 . . . . . . . . 6957 1 955 . 1 1 77 77 SER N N 15 111.468 0.1 . 1 . . . . . . . . 6957 1 956 . 1 1 78 78 PRO HA H 1 3.979 0.02 . 1 . . . . . . . . 6957 1 957 . 1 1 78 78 PRO HB2 H 1 2.097 0.02 . 2 . . . . . . . . 6957 1 958 . 1 1 78 78 PRO HB3 H 1 1.908 0.02 . 2 . . . . . . . . 6957 1 959 . 1 1 78 78 PRO HG2 H 1 1.822 0.02 . 2 . . . . . . . . 6957 1 960 . 1 1 78 78 PRO HG3 H 1 2.536 0.02 . 2 . . . . . . . . 6957 1 961 . 1 1 78 78 PRO HD2 H 1 4.133 0.02 . 2 . . . . . . . . 6957 1 962 . 1 1 78 78 PRO HD3 H 1 3.806 0.02 . 2 . . . . . . . . 6957 1 963 . 1 1 78 78 PRO C C 13 176.962 0.1 . 1 . . . . . . . . 6957 1 964 . 1 1 78 78 PRO CA C 13 66.416 0.1 . 1 . . . . . . . . 6957 1 965 . 1 1 78 78 PRO CB C 13 32.800 0.1 . 1 . . . . . . . . 6957 1 966 . 1 1 78 78 PRO CG C 13 28.602 0.1 . 1 . . . . . . . . 6957 1 967 . 1 1 78 78 PRO CD C 13 51.574 0.1 . 1 . . . . . . . . 6957 1 968 . 1 1 79 79 GLU H H 1 8.930 0.02 . 1 . . . . . . . . 6957 1 969 . 1 1 79 79 GLU HA H 1 3.798 0.02 . 1 . . . . . . . . 6957 1 970 . 1 1 79 79 GLU HB2 H 1 2.016 0.02 . 2 . . . . . . . . 6957 1 971 . 1 1 79 79 GLU HB3 H 1 1.918 0.02 . 2 . . . . . . . . 6957 1 972 . 1 1 79 79 GLU HG2 H 1 2.224 0.02 . 2 . . . . . . . . 6957 1 973 . 1 1 79 79 GLU HG3 H 1 2.465 0.02 . 2 . . . . . . . . 6957 1 974 . 1 1 79 79 GLU C C 13 179.755 0.1 . 1 . . . . . . . . 6957 1 975 . 1 1 79 79 GLU CA C 13 61.108 0.1 . 1 . . . . . . . . 6957 1 976 . 1 1 79 79 GLU CB C 13 29.019 0.1 . 1 . . . . . . . . 6957 1 977 . 1 1 79 79 GLU CG C 13 37.661 0.1 . 1 . . . . . . . . 6957 1 978 . 1 1 79 79 GLU N N 15 117.416 0.1 . 1 . . . . . . . . 6957 1 979 . 1 1 80 80 GLU H H 1 7.829 0.02 . 1 . . . . . . . . 6957 1 980 . 1 1 80 80 GLU HA H 1 4.087 0.02 . 1 . . . . . . . . 6957 1 981 . 1 1 80 80 GLU HB2 H 1 2.113 0.02 . 1 . . . . . . . . 6957 1 982 . 1 1 80 80 GLU HB3 H 1 2.113 0.02 . 1 . . . . . . . . 6957 1 983 . 1 1 80 80 GLU HG2 H 1 2.390 0.02 . 2 . . . . . . . . 6957 1 984 . 1 1 80 80 GLU HG3 H 1 2.270 0.02 . 2 . . . . . . . . 6957 1 985 . 1 1 80 80 GLU C C 13 179.033 0.1 . 1 . . . . . . . . 6957 1 986 . 1 1 80 80 GLU CA C 13 59.294 0.1 . 1 . . . . . . . . 6957 1 987 . 1 1 80 80 GLU CB C 13 30.971 0.1 . 1 . . . . . . . . 6957 1 988 . 1 1 80 80 GLU CG C 13 37.014 0.1 . 1 . . . . . . . . 6957 1 989 . 1 1 80 80 GLU N N 15 120.836 0.1 . 1 . . . . . . . . 6957 1 990 . 1 1 81 81 ALA H H 1 7.947 0.02 . 1 . . . . . . . . 6957 1 991 . 1 1 81 81 ALA HA H 1 3.936 0.02 . 1 . . . . . . . . 6957 1 992 . 1 1 81 81 ALA HB1 H 1 1.405 0.02 . 1 . . . . . . . . 6957 1 993 . 1 1 81 81 ALA HB2 H 1 1.405 0.02 . 1 . . . . . . . . 6957 1 994 . 1 1 81 81 ALA HB3 H 1 1.405 0.02 . 1 . . . . . . . . 6957 1 995 . 1 1 81 81 ALA C C 13 178.502 0.1 . 1 . . . . . . . . 6957 1 996 . 1 1 81 81 ALA CA C 13 55.529 0.1 . 1 . . . . . . . . 6957 1 997 . 1 1 81 81 ALA CB C 13 18.889 0.1 . 1 . . . . . . . . 6957 1 998 . 1 1 81 81 ALA N N 15 121.296 0.1 . 1 . . . . . . . . 6957 1 999 . 1 1 82 82 ALA H H 1 8.507 0.02 . 1 . . . . . . . . 6957 1 1000 . 1 1 82 82 ALA HA H 1 3.924 0.02 . 1 . . . . . . . . 6957 1 1001 . 1 1 82 82 ALA HB1 H 1 1.247 0.02 . 1 . . . . . . . . 6957 1 1002 . 1 1 82 82 ALA HB2 H 1 1.247 0.02 . 1 . . . . . . . . 6957 1 1003 . 1 1 82 82 ALA HB3 H 1 1.247 0.02 . 1 . . . . . . . . 6957 1 1004 . 1 1 82 82 ALA C C 13 178.938 0.1 . 1 . . . . . . . . 6957 1 1005 . 1 1 82 82 ALA CA C 13 55.557 0.1 . 1 . . . . . . . . 6957 1 1006 . 1 1 82 82 ALA CB C 13 18.247 0.1 . 1 . . . . . . . . 6957 1 1007 . 1 1 82 82 ALA N N 15 119.752 0.1 . 1 . . . . . . . . 6957 1 1008 . 1 1 83 83 ALA H H 1 7.760 0.02 . 1 . . . . . . . . 6957 1 1009 . 1 1 83 83 ALA HA H 1 4.241 0.02 . 1 . . . . . . . . 6957 1 1010 . 1 1 83 83 ALA HB1 H 1 1.522 0.02 . 1 . . . . . . . . 6957 1 1011 . 1 1 83 83 ALA HB2 H 1 1.522 0.02 . 1 . . . . . . . . 6957 1 1012 . 1 1 83 83 ALA HB3 H 1 1.522 0.02 . 1 . . . . . . . . 6957 1 1013 . 1 1 83 83 ALA C C 13 181.274 0.1 . 1 . . . . . . . . 6957 1 1014 . 1 1 83 83 ALA CA C 13 55.124 0.1 . 1 . . . . . . . . 6957 1 1015 . 1 1 83 83 ALA CB C 13 18.309 0.1 . 1 . . . . . . . . 6957 1 1016 . 1 1 83 83 ALA N N 15 120.219 0.1 . 1 . . . . . . . . 6957 1 1017 . 1 1 84 84 LEU H H 1 7.833 0.02 . 1 . . . . . . . . 6957 1 1018 . 1 1 84 84 LEU HA H 1 4.192 0.02 . 1 . . . . . . . . 6957 1 1019 . 1 1 84 84 LEU HB2 H 1 1.466 0.02 . 2 . . . . . . . . 6957 1 1020 . 1 1 84 84 LEU HB3 H 1 2.120 0.02 . 2 . . . . . . . . 6957 1 1021 . 1 1 84 84 LEU HG H 1 1.934 0.02 . 1 . . . . . . . . 6957 1 1022 . 1 1 84 84 LEU HD11 H 1 0.930 0.02 . 2 . . . . . . . . 6957 1 1023 . 1 1 84 84 LEU HD12 H 1 0.930 0.02 . 2 . . . . . . . . 6957 1 1024 . 1 1 84 84 LEU HD13 H 1 0.930 0.02 . 2 . . . . . . . . 6957 1 1025 . 1 1 84 84 LEU HD21 H 1 0.913 0.02 . 2 . . . . . . . . 6957 1 1026 . 1 1 84 84 LEU HD22 H 1 0.913 0.02 . 2 . . . . . . . . 6957 1 1027 . 1 1 84 84 LEU HD23 H 1 0.913 0.02 . 2 . . . . . . . . 6957 1 1028 . 1 1 84 84 LEU C C 13 179.755 0.1 . 1 . . . . . . . . 6957 1 1029 . 1 1 84 84 LEU CA C 13 57.588 0.1 . 1 . . . . . . . . 6957 1 1030 . 1 1 84 84 LEU CB C 13 43.000 0.1 . 1 . . . . . . . . 6957 1 1031 . 1 1 84 84 LEU CG C 13 26.984 0.1 . 1 . . . . . . . . 6957 1 1032 . 1 1 84 84 LEU CD1 C 13 26.660 0.1 . 1 . . . . . . . . 6957 1 1033 . 1 1 84 84 LEU CD2 C 13 23.425 0.1 . 1 . . . . . . . . 6957 1 1034 . 1 1 84 84 LEU N N 15 119.617 0.1 . 1 . . . . . . . . 6957 1 1035 . 1 1 85 85 VAL H H 1 7.903 0.02 . 1 . . . . . . . . 6957 1 1036 . 1 1 85 85 VAL HA H 1 3.487 0.02 . 1 . . . . . . . . 6957 1 1037 . 1 1 85 85 VAL HB H 1 2.270 0.02 . 1 . . . . . . . . 6957 1 1038 . 1 1 85 85 VAL HG11 H 1 1.094 0.02 . 2 . . . . . . . . 6957 1 1039 . 1 1 85 85 VAL HG12 H 1 1.094 0.02 . 2 . . . . . . . . 6957 1 1040 . 1 1 85 85 VAL HG13 H 1 1.094 0.02 . 2 . . . . . . . . 6957 1 1041 . 1 1 85 85 VAL HG21 H 1 0.982 0.02 . 2 . . . . . . . . 6957 1 1042 . 1 1 85 85 VAL HG22 H 1 0.982 0.02 . 2 . . . . . . . . 6957 1 1043 . 1 1 85 85 VAL HG23 H 1 0.982 0.02 . 2 . . . . . . . . 6957 1 1044 . 1 1 85 85 VAL C C 13 178.293 0.1 . 1 . . . . . . . . 6957 1 1045 . 1 1 85 85 VAL CA C 13 67.149 0.1 . 1 . . . . . . . . 6957 1 1046 . 1 1 85 85 VAL CB C 13 32.132 0.1 . 1 . . . . . . . . 6957 1 1047 . 1 1 85 85 VAL CG1 C 13 24.719 0.1 . 1 . . . . . . . . 6957 1 1048 . 1 1 85 85 VAL CG2 C 13 21.813 0.1 . 1 . . . . . . . . 6957 1 1049 . 1 1 85 85 VAL N N 15 119.427 0.1 . 1 . . . . . . . . 6957 1 1050 . 1 1 86 86 ASP H H 1 8.391 0.02 . 1 . . . . . . . . 6957 1 1051 . 1 1 86 86 ASP HA H 1 4.562 0.02 . 1 . . . . . . . . 6957 1 1052 . 1 1 86 86 ASP HB2 H 1 2.804 0.02 . 2 . . . . . . . . 6957 1 1053 . 1 1 86 86 ASP HB3 H 1 2.719 0.02 . 2 . . . . . . . . 6957 1 1054 . 1 1 86 86 ASP C C 13 178.749 0.1 . 1 . . . . . . . . 6957 1 1055 . 1 1 86 86 ASP CA C 13 57.398 0.1 . 1 . . . . . . . . 6957 1 1056 . 1 1 86 86 ASP CB C 13 41.554 0.1 . 1 . . . . . . . . 6957 1 1057 . 1 1 86 86 ASP N N 15 120.250 0.1 . 1 . . . . . . . . 6957 1 1058 . 1 1 87 87 GLY H H 1 7.966 0.02 . 1 . . . . . . . . 6957 1 1059 . 1 1 87 87 GLY HA2 H 1 3.976 0.02 . 1 . . . . . . . . 6957 1 1060 . 1 1 87 87 GLY HA3 H 1 3.976 0.02 . 1 . . . . . . . . 6957 1 1061 . 1 1 87 87 GLY C C 13 175.540 0.1 . 1 . . . . . . . . 6957 1 1062 . 1 1 87 87 GLY CA C 13 46.397 0.1 . 1 . . . . . . . . 6957 1 1063 . 1 1 87 87 GLY N N 15 105.358 0.1 . 1 . . . . . . . . 6957 1 1064 . 1 1 88 88 LEU H H 1 7.645 0.02 . 1 . . . . . . . . 6957 1 1065 . 1 1 88 88 LEU HA H 1 4.310 0.02 . 1 . . . . . . . . 6957 1 1066 . 1 1 88 88 LEU HB2 H 1 1.848 0.02 . 2 . . . . . . . . 6957 1 1067 . 1 1 88 88 LEU HB3 H 1 1.569 0.02 . 2 . . . . . . . . 6957 1 1068 . 1 1 88 88 LEU HG H 1 1.934 0.02 . 1 . . . . . . . . 6957 1 1069 . 1 1 88 88 LEU HD11 H 1 0.867 0.02 . 2 . . . . . . . . 6957 1 1070 . 1 1 88 88 LEU HD12 H 1 0.867 0.02 . 2 . . . . . . . . 6957 1 1071 . 1 1 88 88 LEU HD13 H 1 0.867 0.02 . 2 . . . . . . . . 6957 1 1072 . 1 1 88 88 LEU HD21 H 1 0.866 0.02 . 2 . . . . . . . . 6957 1 1073 . 1 1 88 88 LEU HD22 H 1 0.866 0.02 . 2 . . . . . . . . 6957 1 1074 . 1 1 88 88 LEU HD23 H 1 0.866 0.02 . 2 . . . . . . . . 6957 1 1075 . 1 1 88 88 LEU C C 13 178.141 0.1 . 1 . . . . . . . . 6957 1 1076 . 1 1 88 88 LEU CA C 13 56.180 0.1 . 1 . . . . . . . . 6957 1 1077 . 1 1 88 88 LEU CB C 13 42.420 0.1 . 1 . . . . . . . . 6957 1 1078 . 1 1 88 88 LEU CG C 13 26.660 0.1 . 1 . . . . . . . . 6957 1 1079 . 1 1 88 88 LEU CD1 C 13 26.660 0.1 . 1 . . . . . . . . 6957 1 1080 . 1 1 88 88 LEU CD2 C 13 23.101 0.1 . 1 . . . . . . . . 6957 1 1081 . 1 1 88 88 LEU N N 15 120.596 0.1 . 1 . . . . . . . . 6957 1 1082 . 1 1 89 89 ARG H H 1 7.804 0.02 . 1 . . . . . . . . 6957 1 1083 . 1 1 89 89 ARG HA H 1 4.326 0.02 . 1 . . . . . . . . 6957 1 1084 . 1 1 89 89 ARG HB2 H 1 1.973 0.02 . 1 . . . . . . . . 6957 1 1085 . 1 1 89 89 ARG HB3 H 1 1.973 0.02 . 1 . . . . . . . . 6957 1 1086 . 1 1 89 89 ARG HG2 H 1 1.822 0.02 . 2 . . . . . . . . 6957 1 1087 . 1 1 89 89 ARG HG3 H 1 1.753 0.02 . 2 . . . . . . . . 6957 1 1088 . 1 1 89 89 ARG HD2 H 1 3.322 0.02 . 1 . . . . . . . . 6957 1 1089 . 1 1 89 89 ARG HD3 H 1 3.322 0.02 . 1 . . . . . . . . 6957 1 1090 . 1 1 89 89 ARG C C 13 176.546 0.1 . 1 . . . . . . . . 6957 1 1091 . 1 1 89 89 ARG CA C 13 57.000 0.1 . 1 . . . . . . . . 6957 1 1092 . 1 1 89 89 ARG CB C 13 30.867 0.1 . 1 . . . . . . . . 6957 1 1093 . 1 1 89 89 ARG CG C 13 27.631 0.1 . 1 . . . . . . . . 6957 1 1094 . 1 1 89 89 ARG CD C 13 44.132 0.1 . 1 . . . . . . . . 6957 1 1095 . 1 1 89 89 ARG N N 15 119.441 0.1 . 1 . . . . . . . . 6957 1 1096 . 1 1 90 90 ARG H H 1 8.002 0.02 . 1 . . . . . . . . 6957 1 1097 . 1 1 90 90 ARG HA H 1 4.366 0.02 . 1 . . . . . . . . 6957 1 1098 . 1 1 90 90 ARG HB2 H 1 1.897 0.02 . 2 . . . . . . . . 6957 1 1099 . 1 1 90 90 ARG HB3 H 1 1.799 0.02 . 2 . . . . . . . . 6957 1 1100 . 1 1 90 90 ARG HG2 H 1 1.680 0.02 . 1 . . . . . . . . 6957 1 1101 . 1 1 90 90 ARG HG3 H 1 1.680 0.02 . 1 . . . . . . . . 6957 1 1102 . 1 1 90 90 ARG HD2 H 1 3.221 0.02 . 1 . . . . . . . . 6957 1 1103 . 1 1 90 90 ARG HD3 H 1 3.221 0.02 . 1 . . . . . . . . 6957 1 1104 . 1 1 90 90 ARG C C 13 176.262 0.1 . 1 . . . . . . . . 6957 1 1105 . 1 1 90 90 ARG CA C 13 56.287 0.1 . 1 . . . . . . . . 6957 1 1106 . 1 1 90 90 ARG CB C 13 31.474 0.1 . 1 . . . . . . . . 6957 1 1107 . 1 1 90 90 ARG CG C 13 27.307 0.1 . 1 . . . . . . . . 6957 1 1108 . 1 1 90 90 ARG CD C 13 43.485 0.1 . 1 . . . . . . . . 6957 1 1109 . 1 1 90 90 ARG N N 15 120.990 0.1 . 1 . . . . . . . . 6957 1 1110 . 1 1 91 91 GLU H H 1 8.249 0.02 . 1 . . . . . . . . 6957 1 1111 . 1 1 91 91 GLU HA H 1 4.588 0.02 . 1 . . . . . . . . 6957 1 1112 . 1 1 91 91 GLU HB2 H 1 2.058 0.02 . 2 . . . . . . . . 6957 1 1113 . 1 1 91 91 GLU HB3 H 1 1.935 0.02 . 2 . . . . . . . . 6957 1 1114 . 1 1 91 91 GLU HG2 H 1 2.304 0.02 . 1 . . . . . . . . 6957 1 1115 . 1 1 91 91 GLU HG3 H 1 2.304 0.02 . 1 . . . . . . . . 6957 1 1116 . 1 1 91 91 GLU C C 13 174.819 0.1 . 1 . . . . . . . . 6957 1 1117 . 1 1 91 91 GLU CA C 13 55.134 0.1 . 1 . . . . . . . . 6957 1 1118 . 1 1 91 91 GLU CB C 13 29.896 0.1 . 1 . . . . . . . . 6957 1 1119 . 1 1 91 91 GLU CG C 13 36.367 0.1 . 1 . . . . . . . . 6957 1 1120 . 1 1 91 91 GLU N N 15 123.255 0.1 . 1 . . . . . . . . 6957 1 1121 . 1 1 92 92 PRO HA H 1 4.437 0.02 . 1 . . . . . . . . 6957 1 1122 . 1 1 92 92 PRO HB2 H 1 2.312 0.02 . 2 . . . . . . . . 6957 1 1123 . 1 1 92 92 PRO HB3 H 1 1.981 0.02 . 2 . . . . . . . . 6957 1 1124 . 1 1 92 92 PRO HG2 H 1 2.067 0.02 . 1 . . . . . . . . 6957 1 1125 . 1 1 92 92 PRO HG3 H 1 2.067 0.02 . 1 . . . . . . . . 6957 1 1126 . 1 1 92 92 PRO HD2 H 1 3.822 0.02 . 2 . . . . . . . . 6957 1 1127 . 1 1 92 92 PRO HD3 H 1 3.732 0.02 . 2 . . . . . . . . 6957 1 1128 . 1 1 92 92 PRO C C 13 177.819 0.1 . 1 . . . . . . . . 6957 1 1129 . 1 1 92 92 PRO CA C 13 63.955 0.1 . 1 . . . . . . . . 6957 1 1130 . 1 1 92 92 PRO CB C 13 32.161 0.1 . 1 . . . . . . . . 6957 1 1131 . 1 1 92 92 PRO CG C 13 27.631 0.1 . 1 . . . . . . . . 6957 1 1132 . 1 1 92 92 PRO CD C 13 50.927 0.1 . 1 . . . . . . . . 6957 1 1133 . 1 1 93 93 GLY H H 1 8.491 0.02 . 1 . . . . . . . . 6957 1 1134 . 1 1 93 93 GLY HA2 H 1 3.967 0.02 . 1 . . . . . . . . 6957 1 1135 . 1 1 93 93 GLY HA3 H 1 3.967 0.02 . 1 . . . . . . . . 6957 1 1136 . 1 1 93 93 GLY C C 13 173.926 0.1 . 1 . . . . . . . . 6957 1 1137 . 1 1 93 93 GLY CA C 13 45.561 0.1 . 1 . . . . . . . . 6957 1 1138 . 1 1 93 93 GLY N N 15 109.934 0.1 . 1 . . . . . . . . 6957 1 1139 . 1 1 94 94 GLY H H 1 7.940 0.004 . 1 . . . . . . . . 6957 1 1140 . 1 1 94 94 GLY HA2 H 1 3.838 0.02 . 1 . . . . . . . . 6957 1 1141 . 1 1 94 94 GLY HA3 H 1 3.838 0.02 . 1 . . . . . . . . 6957 1 1142 . 1 1 94 94 GLY C C 13 179.299 0.1 . 1 . . . . . . . . 6957 1 1143 . 1 1 94 94 GLY CA C 13 44.132 0.1 . 1 . . . . . . . . 6957 1 1144 . 1 1 94 94 GLY N N 15 115.438 0.1 . 1 . . . . . . . . 6957 1 stop_ save_