data_4217 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4217 _Entry.Title ; The 3D structure of the streptomyces metalloproteinase inhibitor, SMPI, isolated from streptomyces nigrescens TK-23 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-06-10 _Entry.Accession_date 1998-06-10 _Entry.Last_release_date 2000-04-04 _Entry.Original_release_date 2000-04-04 _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 S. Tate . . . 4217 2 A. Ohno . . . 4217 3 S. Seeram . S. . 4217 4 K. Hiraga . . . 4217 5 K. Oda . . . 4217 6 M. Kainosho . . . 4217 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4217 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 191 4217 '15N chemical shifts' 97 4217 '1H chemical shifts' 623 4217 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-04-04 1998-06-10 original author . 4217 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1BHU 'BMRB Entry Tracking System' 4217 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4217 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98407984 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR structure of the streptomyces metalloproteinase inhibitor, SMPI, isolated from Streptomyces nigrescens TK-23: another example of an ancestral beta gamma-crystallin precursor structure. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 282 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 421 _Citation.Page_last 433 _Citation.Year 1998 _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 A. Ohno . . . 4217 1 2 S. Tate . . . 4217 1 3 S. Seeram . S. . 4217 1 4 K. Hiraga . . . 4217 1 5 K. Oda . . . 4217 1 6 M. Swindells . B. . 4217 1 7 M. Kainosho . . . 4217 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'metalloproteinase inhibitor' 4217 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SMPI _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SMPI _Assembly.Entry_ID 4217 _Assembly.ID 1 _Assembly.Name 'streptomyces metalloproteinase inhibitor' _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 disulfide bound' _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 monomer 4217 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 SMPI 1 $SMPI . . . native . . . . . 4217 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 4 4 SG . 1 . 1 CYS 10 10 SG . . . . . . . . . . 4217 1 2 disulfide single . 1 . . CYS 64 64 SG . 1 . 1 CYS 69 69 SG . . . . . . . . . . 4217 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 1BHU . 'The 3d Structure Of The Streptomyces Metalloproteinase Inhibitor, Smpi, Isolated From Streptomyces Nigrescens Tk-23, Nmr, Minimized Average Structure' . . . . 4217 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SMPI abbreviation 4217 1 'streptomyces metalloproteinase inhibitor' system 4217 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SMPI _Entity.Sf_category entity _Entity.Sf_framecode SMPI _Entity.Entry_ID 4217 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'metalloproteinase inhibitor' _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 ; APSCPAGSLCTYSGTGLSGA RTVIPASDMEKAGTDGVKLP ASARSFANGTHFTLRYGPAR KVTCVRFPCYQYATVGKVAP GAQLRSLPSPGATVTVGQDL GD ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _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 2015-11-24 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 1BHU . "The 3d Structure Of The Streptomyces Metalloproteinase Inhibitor, Smpi, Isolated From Streptomyces Nigrescens Tk- 23, Nmr, Mini" . . . . . 100.00 102 100.00 100.00 3.13e-65 . . . . 4217 1 2 no DBJ BAA00574 . "metalloprotease inhibitor precursor [Streptomyces nigrescens]" . . . . . 100.00 131 100.00 100.00 1.57e-65 . . . . 4217 1 3 no PRF 1102216A . "inhibitor,metallo proteinase [Streptomyces nigrescens]" . . . . . 100.00 102 100.00 100.00 3.13e-65 . . . . 4217 1 4 no SP P01077 . "RecName: Full=Metalloproteinase inhibitor; Flags: Precursor" . . . . . 100.00 131 100.00 100.00 1.57e-65 . . . . 4217 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'metalloproteinase inhibitor' common 4217 1 'Sakstar variant' variant 4217 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 4217 1 2 2 PRO . 4217 1 3 3 SER . 4217 1 4 4 CYS . 4217 1 5 5 PRO . 4217 1 6 6 ALA . 4217 1 7 7 GLY . 4217 1 8 8 SER . 4217 1 9 9 LEU . 4217 1 10 10 CYS . 4217 1 11 11 THR . 4217 1 12 12 TYR . 4217 1 13 13 SER . 4217 1 14 14 GLY . 4217 1 15 15 THR . 4217 1 16 16 GLY . 4217 1 17 17 LEU . 4217 1 18 18 SER . 4217 1 19 19 GLY . 4217 1 20 20 ALA . 4217 1 21 21 ARG . 4217 1 22 22 THR . 4217 1 23 23 VAL . 4217 1 24 24 ILE . 4217 1 25 25 PRO . 4217 1 26 26 ALA . 4217 1 27 27 SER . 4217 1 28 28 ASP . 4217 1 29 29 MET . 4217 1 30 30 GLU . 4217 1 31 31 LYS . 4217 1 32 32 ALA . 4217 1 33 33 GLY . 4217 1 34 34 THR . 4217 1 35 35 ASP . 4217 1 36 36 GLY . 4217 1 37 37 VAL . 4217 1 38 38 LYS . 4217 1 39 39 LEU . 4217 1 40 40 PRO . 4217 1 41 41 ALA . 4217 1 42 42 SER . 4217 1 43 43 ALA . 4217 1 44 44 ARG . 4217 1 45 45 SER . 4217 1 46 46 PHE . 4217 1 47 47 ALA . 4217 1 48 48 ASN . 4217 1 49 49 GLY . 4217 1 50 50 THR . 4217 1 51 51 HIS . 4217 1 52 52 PHE . 4217 1 53 53 THR . 4217 1 54 54 LEU . 4217 1 55 55 ARG . 4217 1 56 56 TYR . 4217 1 57 57 GLY . 4217 1 58 58 PRO . 4217 1 59 59 ALA . 4217 1 60 60 ARG . 4217 1 61 61 LYS . 4217 1 62 62 VAL . 4217 1 63 63 THR . 4217 1 64 64 CYS . 4217 1 65 65 VAL . 4217 1 66 66 ARG . 4217 1 67 67 PHE . 4217 1 68 68 PRO . 4217 1 69 69 CYS . 4217 1 70 70 TYR . 4217 1 71 71 GLN . 4217 1 72 72 TYR . 4217 1 73 73 ALA . 4217 1 74 74 THR . 4217 1 75 75 VAL . 4217 1 76 76 GLY . 4217 1 77 77 LYS . 4217 1 78 78 VAL . 4217 1 79 79 ALA . 4217 1 80 80 PRO . 4217 1 81 81 GLY . 4217 1 82 82 ALA . 4217 1 83 83 GLN . 4217 1 84 84 LEU . 4217 1 85 85 ARG . 4217 1 86 86 SER . 4217 1 87 87 LEU . 4217 1 88 88 PRO . 4217 1 89 89 SER . 4217 1 90 90 PRO . 4217 1 91 91 GLY . 4217 1 92 92 ALA . 4217 1 93 93 THR . 4217 1 94 94 VAL . 4217 1 95 95 THR . 4217 1 96 96 VAL . 4217 1 97 97 GLY . 4217 1 98 98 GLN . 4217 1 99 99 ASP . 4217 1 100 100 LEU . 4217 1 101 101 GLY . 4217 1 102 102 ASP . 4217 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 . ALA 1 1 4217 1 . PRO 2 2 4217 1 . SER 3 3 4217 1 . CYS 4 4 4217 1 . PRO 5 5 4217 1 . ALA 6 6 4217 1 . GLY 7 7 4217 1 . SER 8 8 4217 1 . LEU 9 9 4217 1 . CYS 10 10 4217 1 . THR 11 11 4217 1 . TYR 12 12 4217 1 . SER 13 13 4217 1 . GLY 14 14 4217 1 . THR 15 15 4217 1 . GLY 16 16 4217 1 . LEU 17 17 4217 1 . SER 18 18 4217 1 . GLY 19 19 4217 1 . ALA 20 20 4217 1 . ARG 21 21 4217 1 . THR 22 22 4217 1 . VAL 23 23 4217 1 . ILE 24 24 4217 1 . PRO 25 25 4217 1 . ALA 26 26 4217 1 . SER 27 27 4217 1 . ASP 28 28 4217 1 . MET 29 29 4217 1 . GLU 30 30 4217 1 . LYS 31 31 4217 1 . ALA 32 32 4217 1 . GLY 33 33 4217 1 . THR 34 34 4217 1 . ASP 35 35 4217 1 . GLY 36 36 4217 1 . VAL 37 37 4217 1 . LYS 38 38 4217 1 . LEU 39 39 4217 1 . PRO 40 40 4217 1 . ALA 41 41 4217 1 . SER 42 42 4217 1 . ALA 43 43 4217 1 . ARG 44 44 4217 1 . SER 45 45 4217 1 . PHE 46 46 4217 1 . ALA 47 47 4217 1 . ASN 48 48 4217 1 . GLY 49 49 4217 1 . THR 50 50 4217 1 . HIS 51 51 4217 1 . PHE 52 52 4217 1 . THR 53 53 4217 1 . LEU 54 54 4217 1 . ARG 55 55 4217 1 . TYR 56 56 4217 1 . GLY 57 57 4217 1 . PRO 58 58 4217 1 . ALA 59 59 4217 1 . ARG 60 60 4217 1 . LYS 61 61 4217 1 . VAL 62 62 4217 1 . THR 63 63 4217 1 . CYS 64 64 4217 1 . VAL 65 65 4217 1 . ARG 66 66 4217 1 . PHE 67 67 4217 1 . PRO 68 68 4217 1 . CYS 69 69 4217 1 . TYR 70 70 4217 1 . GLN 71 71 4217 1 . TYR 72 72 4217 1 . ALA 73 73 4217 1 . THR 74 74 4217 1 . VAL 75 75 4217 1 . GLY 76 76 4217 1 . LYS 77 77 4217 1 . VAL 78 78 4217 1 . ALA 79 79 4217 1 . PRO 80 80 4217 1 . GLY 81 81 4217 1 . ALA 82 82 4217 1 . GLN 83 83 4217 1 . LEU 84 84 4217 1 . ARG 85 85 4217 1 . SER 86 86 4217 1 . LEU 87 87 4217 1 . PRO 88 88 4217 1 . SER 89 89 4217 1 . PRO 90 90 4217 1 . GLY 91 91 4217 1 . ALA 92 92 4217 1 . THR 93 93 4217 1 . VAL 94 94 4217 1 . THR 95 95 4217 1 . VAL 96 96 4217 1 . GLY 97 97 4217 1 . GLN 98 98 4217 1 . ASP 99 99 4217 1 . LEU 100 100 4217 1 . GLY 101 101 4217 1 . ASP 102 102 4217 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 4217 _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 $SMPI . 1920 organism . 'Streptomyces nigrescens' 'Streptomyces nigrescens' . . Bacteria . Streptomyces nigrescens TK-23 . . . . . . . . 'c-Myc and Max are nuclear proteins' . . . . . . . . ; Prepared as a T7 RNA polymerase transcript from chemically synthesized DNA promoter & template. A UNCG tetra-loop was used to connect nucleotides 593 and 646 (E. coli). ; . . 4217 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 4217 _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 $SMPI . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4217 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4217 _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 'metalloproteinase inhibitor' . . . 1 $SMPI . . . . . mM . . . . 4217 1 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 4217 _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 pressure 1 . atm 4217 1 temperature 310 . K 4217 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4217 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4217 _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 unknown unknown . 0 'spectrometer information not available' . . 4217 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 4217 _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 'Heteronuclear multi-dimensional experiment' . 1 $NMR_applied_experiment . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4217 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 4217 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'Heteronuclear multi-dimensional experiment' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_list _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4217 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4217 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4217 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4217 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4217 _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_one _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 . 4217 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.29 . . 1 . . . . . . . . 4217 1 2 . 1 1 1 1 ALA HA H 1 4.59 . . 1 . . . . . . . . 4217 1 3 . 1 1 1 1 ALA HB1 H 1 1.30 . . 1 . . . . . . . . 4217 1 4 . 1 1 1 1 ALA HB2 H 1 1.30 . . 1 . . . . . . . . 4217 1 5 . 1 1 1 1 ALA HB3 H 1 1.30 . . 1 . . . . . . . . 4217 1 6 . 1 1 1 1 ALA CA C 13 48.88 . . 1 . . . . . . . . 4217 1 7 . 1 1 1 1 ALA CB C 13 16.92 . . 1 . . . . . . . . 4217 1 8 . 1 1 1 1 ALA N N 15 128.33 . . 1 . . . . . . . . 4217 1 9 . 1 1 2 2 PRO HA H 1 4.40 . . 1 . . . . . . . . 4217 1 10 . 1 1 2 2 PRO HB2 H 1 1.80 . . 1 . . . . . . . . 4217 1 11 . 1 1 2 2 PRO HB3 H 1 2.21 . . 1 . . . . . . . . 4217 1 12 . 1 1 2 2 PRO HG2 H 1 1.93 . . 1 . . . . . . . . 4217 1 13 . 1 1 2 2 PRO HG3 H 1 1.93 . . 1 . . . . . . . . 4217 1 14 . 1 1 2 2 PRO HD2 H 1 3.74 . . 1 . . . . . . . . 4217 1 15 . 1 1 2 2 PRO HD3 H 1 3.56 . . 1 . . . . . . . . 4217 1 16 . 1 1 2 2 PRO CA C 13 61.42 . . 1 . . . . . . . . 4217 1 17 . 1 1 2 2 PRO CB C 13 30.56 . . 1 . . . . . . . . 4217 1 18 . 1 1 3 3 SER H H 1 8.42 . . 1 . . . . . . . . 4217 1 19 . 1 1 3 3 SER HA H 1 4.33 . . 1 . . . . . . . . 4217 1 20 . 1 1 3 3 SER HB2 H 1 3.81 . . 1 . . . . . . . . 4217 1 21 . 1 1 3 3 SER HB3 H 1 3.98 . . 1 . . . . . . . . 4217 1 22 . 1 1 3 3 SER CA C 13 56.53 . . 1 . . . . . . . . 4217 1 23 . 1 1 3 3 SER CB C 13 62.26 . . 1 . . . . . . . . 4217 1 24 . 1 1 3 3 SER N N 15 117.89 . . 1 . . . . . . . . 4217 1 25 . 1 1 4 4 CYS H H 1 8.32 . . 1 . . . . . . . . 4217 1 26 . 1 1 4 4 CYS HA H 1 5.14 . . 1 . . . . . . . . 4217 1 27 . 1 1 4 4 CYS HB2 H 1 2.69 . . 1 . . . . . . . . 4217 1 28 . 1 1 4 4 CYS HB3 H 1 2.98 . . 1 . . . . . . . . 4217 1 29 . 1 1 4 4 CYS CA C 13 50.18 . . 1 . . . . . . . . 4217 1 30 . 1 1 4 4 CYS CB C 13 30.90 . . 1 . . . . . . . . 4217 1 31 . 1 1 4 4 CYS N N 15 125.01 . . 1 . . . . . . . . 4217 1 32 . 1 1 5 5 PRO HA H 1 4.24 . . 1 . . . . . . . . 4217 1 33 . 1 1 5 5 PRO HB2 H 1 2.23 . . 1 . . . . . . . . 4217 1 34 . 1 1 5 5 PRO HB3 H 1 1.76 . . 1 . . . . . . . . 4217 1 35 . 1 1 5 5 PRO HG2 H 1 1.89 . . 1 . . . . . . . . 4217 1 36 . 1 1 5 5 PRO HG3 H 1 1.91 . . 1 . . . . . . . . 4217 1 37 . 1 1 5 5 PRO HD2 H 1 3.75 . . 1 . . . . . . . . 4217 1 38 . 1 1 5 5 PRO HD3 H 1 3.42 . . 1 . . . . . . . . 4217 1 39 . 1 1 5 5 PRO CA C 13 61.33 . . 1 . . . . . . . . 4217 1 40 . 1 1 5 5 PRO CB C 13 30.65 . . 1 . . . . . . . . 4217 1 41 . 1 1 6 6 ALA H H 1 8.11 . . 1 . . . . . . . . 4217 1 42 . 1 1 6 6 ALA HA H 1 4.25 . . 1 . . . . . . . . 4217 1 43 . 1 1 6 6 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4217 1 44 . 1 1 6 6 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4217 1 45 . 1 1 6 6 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4217 1 46 . 1 1 6 6 ALA CA C 13 51.57 . . 1 . . . . . . . . 4217 1 47 . 1 1 6 6 ALA CB C 13 16.81 . . 1 . . . . . . . . 4217 1 48 . 1 1 6 6 ALA N N 15 125.06 . . 1 . . . . . . . . 4217 1 49 . 1 1 7 7 GLY H H 1 8.48 . . 1 . . . . . . . . 4217 1 50 . 1 1 7 7 GLY HA2 H 1 3.71 . . 1 . . . . . . . . 4217 1 51 . 1 1 7 7 GLY HA3 H 1 4.24 . . 1 . . . . . . . . 4217 1 52 . 1 1 7 7 GLY CA C 13 44.18 . . 1 . . . . . . . . 4217 1 53 . 1 1 7 7 GLY N N 15 111.87 . . 1 . . . . . . . . 4217 1 54 . 1 1 8 8 SER H H 1 7.30 . . 1 . . . . . . . . 4217 1 55 . 1 1 8 8 SER HA H 1 4.90 . . 1 . . . . . . . . 4217 1 56 . 1 1 8 8 SER HB2 H 1 3.51 . . 1 . . . . . . . . 4217 1 57 . 1 1 8 8 SER HB3 H 1 3.65 . . 1 . . . . . . . . 4217 1 58 . 1 1 8 8 SER CA C 13 56.63 . . 1 . . . . . . . . 4217 1 59 . 1 1 8 8 SER CB C 13 64.37 . . 1 . . . . . . . . 4217 1 60 . 1 1 8 8 SER N N 15 115.62 . . 1 . . . . . . . . 4217 1 61 . 1 1 9 9 LEU H H 1 8.95 . . 1 . . . . . . . . 4217 1 62 . 1 1 9 9 LEU HA H 1 4.87 . . 1 . . . . . . . . 4217 1 63 . 1 1 9 9 LEU HB2 H 1 1.15 . . 1 . . . . . . . . 4217 1 64 . 1 1 9 9 LEU HB3 H 1 1.83 . . 1 . . . . . . . . 4217 1 65 . 1 1 9 9 LEU HG H 1 0.48 . . 1 . . . . . . . . 4217 1 66 . 1 1 9 9 LEU HD11 H 1 1.24 . . 1 . . . . . . . . 4217 1 67 . 1 1 9 9 LEU HD12 H 1 1.24 . . 1 . . . . . . . . 4217 1 68 . 1 1 9 9 LEU HD13 H 1 1.24 . . 1 . . . . . . . . 4217 1 69 . 1 1 9 9 LEU HD21 H 1 1.22 . . 1 . . . . . . . . 4217 1 70 . 1 1 9 9 LEU HD22 H 1 1.22 . . 1 . . . . . . . . 4217 1 71 . 1 1 9 9 LEU HD23 H 1 1.22 . . 1 . . . . . . . . 4217 1 72 . 1 1 9 9 LEU CA C 13 52.20 . . 1 . . . . . . . . 4217 1 73 . 1 1 9 9 LEU CB C 13 42.92 . . 1 . . . . . . . . 4217 1 74 . 1 1 9 9 LEU N N 15 124.61 . . 1 . . . . . . . . 4217 1 75 . 1 1 10 10 CYS H H 1 8.72 . . 1 . . . . . . . . 4217 1 76 . 1 1 10 10 CYS HA H 1 5.73 . . 1 . . . . . . . . 4217 1 77 . 1 1 10 10 CYS HB2 H 1 2.78 . . 1 . . . . . . . . 4217 1 78 . 1 1 10 10 CYS HB3 H 1 2.99 . . 1 . . . . . . . . 4217 1 79 . 1 1 10 10 CYS CA C 13 54.10 . . 1 . . . . . . . . 4217 1 80 . 1 1 10 10 CYS CB C 13 44.27 . . 1 . . . . . . . . 4217 1 81 . 1 1 10 10 CYS N N 15 123.59 . . 1 . . . . . . . . 4217 1 82 . 1 1 11 11 THR H H 1 9.03 . . 1 . . . . . . . . 4217 1 83 . 1 1 11 11 THR HA H 1 5.06 . . 1 . . . . . . . . 4217 1 84 . 1 1 11 11 THR HB H 1 4.23 . . 1 . . . . . . . . 4217 1 85 . 1 1 11 11 THR HG21 H 1 0.93 . . 1 . . . . . . . . 4217 1 86 . 1 1 11 11 THR HG22 H 1 0.93 . . 1 . . . . . . . . 4217 1 87 . 1 1 11 11 THR HG23 H 1 0.93 . . 1 . . . . . . . . 4217 1 88 . 1 1 11 11 THR CA C 13 58.31 . . 1 . . . . . . . . 4217 1 89 . 1 1 11 11 THR CB C 13 67.92 . . 1 . . . . . . . . 4217 1 90 . 1 1 11 11 THR N N 15 116.70 . . 1 . . . . . . . . 4217 1 91 . 1 1 12 12 TYR H H 1 8.23 . . 1 . . . . . . . . 4217 1 92 . 1 1 12 12 TYR HA H 1 5.49 . . 1 . . . . . . . . 4217 1 93 . 1 1 12 12 TYR HB2 H 1 3.50 . . 1 . . . . . . . . 4217 1 94 . 1 1 12 12 TYR HB3 H 1 2.68 . . 1 . . . . . . . . 4217 1 95 . 1 1 12 12 TYR HD1 H 1 6.62 . . 1 . . . . . . . . 4217 1 96 . 1 1 12 12 TYR HD2 H 1 6.62 . . 1 . . . . . . . . 4217 1 97 . 1 1 12 12 TYR HE1 H 1 6.56 . . 1 . . . . . . . . 4217 1 98 . 1 1 12 12 TYR HE2 H 1 6.56 . . 1 . . . . . . . . 4217 1 99 . 1 1 12 12 TYR CA C 13 54.89 . . 1 . . . . . . . . 4217 1 100 . 1 1 12 12 TYR CB C 13 38.62 . . 1 . . . . . . . . 4217 1 101 . 1 1 12 12 TYR N N 15 120.35 . . 1 . . . . . . . . 4217 1 102 . 1 1 13 13 SER H H 1 8.50 . . 1 . . . . . . . . 4217 1 103 . 1 1 13 13 SER HA H 1 4.89 . . 1 . . . . . . . . 4217 1 104 . 1 1 13 13 SER HB2 H 1 3.81 . . 1 . . . . . . . . 4217 1 105 . 1 1 13 13 SER HB3 H 1 4.31 . . 1 . . . . . . . . 4217 1 106 . 1 1 13 13 SER CA C 13 57.88 . . 1 . . . . . . . . 4217 1 107 . 1 1 13 13 SER CB C 13 62.14 . . 1 . . . . . . . . 4217 1 108 . 1 1 13 13 SER N N 15 117.90 . . 1 . . . . . . . . 4217 1 109 . 1 1 14 14 GLY H H 1 8.16 . . 1 . . . . . . . . 4217 1 110 . 1 1 14 14 GLY HA2 H 1 3.56 . . 1 . . . . . . . . 4217 1 111 . 1 1 14 14 GLY HA3 H 1 4.62 . . 1 . . . . . . . . 4217 1 112 . 1 1 14 14 GLY CA C 13 41.27 . . 1 . . . . . . . . 4217 1 113 . 1 1 14 14 GLY N N 15 111.59 . . 1 . . . . . . . . 4217 1 114 . 1 1 15 15 THR H H 1 8.41 . . 1 . . . . . . . . 4217 1 115 . 1 1 15 15 THR HA H 1 4.34 . . 1 . . . . . . . . 4217 1 116 . 1 1 15 15 THR HB H 1 4.16 . . 1 . . . . . . . . 4217 1 117 . 1 1 15 15 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4217 1 118 . 1 1 15 15 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4217 1 119 . 1 1 15 15 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4217 1 120 . 1 1 15 15 THR CA C 13 60.85 . . 1 . . . . . . . . 4217 1 121 . 1 1 15 15 THR CB C 13 67.82 . . 1 . . . . . . . . 4217 1 122 . 1 1 15 15 THR N N 15 114.10 . . 1 . . . . . . . . 4217 1 123 . 1 1 16 16 GLY H H 1 9.77 . . 1 . . . . . . . . 4217 1 124 . 1 1 16 16 GLY HA2 H 1 3.37 . . 1 . . . . . . . . 4217 1 125 . 1 1 16 16 GLY HA3 H 1 3.71 . . 1 . . . . . . . . 4217 1 126 . 1 1 16 16 GLY CA C 13 45.69 . . 1 . . . . . . . . 4217 1 127 . 1 1 16 16 GLY N N 15 111.38 . . 1 . . . . . . . . 4217 1 128 . 1 1 17 17 LEU H H 1 7.94 . . 1 . . . . . . . . 4217 1 129 . 1 1 17 17 LEU HA H 1 2.88 . . 1 . . . . . . . . 4217 1 130 . 1 1 17 17 LEU HB2 H 1 1.58 . . 1 . . . . . . . . 4217 1 131 . 1 1 17 17 LEU HB3 H 1 0.23 . . 1 . . . . . . . . 4217 1 132 . 1 1 17 17 LEU HG H 1 0.92 . . 1 . . . . . . . . 4217 1 133 . 1 1 17 17 LEU HD11 H 1 0.55 . . 1 . . . . . . . . 4217 1 134 . 1 1 17 17 LEU HD12 H 1 0.55 . . 1 . . . . . . . . 4217 1 135 . 1 1 17 17 LEU HD13 H 1 0.55 . . 1 . . . . . . . . 4217 1 136 . 1 1 17 17 LEU HD21 H 1 0.47 . . 1 . . . . . . . . 4217 1 137 . 1 1 17 17 LEU HD22 H 1 0.47 . . 1 . . . . . . . . 4217 1 138 . 1 1 17 17 LEU HD23 H 1 0.47 . . 1 . . . . . . . . 4217 1 139 . 1 1 17 17 LEU CA C 13 53.45 . . 1 . . . . . . . . 4217 1 140 . 1 1 17 17 LEU CB C 13 34.68 . . 1 . . . . . . . . 4217 1 141 . 1 1 17 17 LEU N N 15 113.90 . . 1 . . . . . . . . 4217 1 142 . 1 1 18 18 SER H H 1 6.38 . . 1 . . . . . . . . 4217 1 143 . 1 1 18 18 SER HA H 1 4.52 . . 1 . . . . . . . . 4217 1 144 . 1 1 18 18 SER HB2 H 1 3.67 . . 1 . . . . . . . . 4217 1 145 . 1 1 18 18 SER HB3 H 1 3.80 . . 1 . . . . . . . . 4217 1 146 . 1 1 18 18 SER CA C 13 55.13 . . 1 . . . . . . . . 4217 1 147 . 1 1 18 18 SER CB C 13 64.71 . . 1 . . . . . . . . 4217 1 148 . 1 1 18 18 SER N N 15 113.48 . . 1 . . . . . . . . 4217 1 149 . 1 1 19 19 GLY H H 1 8.23 . . 1 . . . . . . . . 4217 1 150 . 1 1 19 19 GLY HA2 H 1 4.14 . . 1 . . . . . . . . 4217 1 151 . 1 1 19 19 GLY HA3 H 1 3.60 . . 1 . . . . . . . . 4217 1 152 . 1 1 19 19 GLY CA C 13 43.11 . . 1 . . . . . . . . 4217 1 153 . 1 1 19 19 GLY N N 15 107.01 . . 1 . . . . . . . . 4217 1 154 . 1 1 20 20 ALA H H 1 8.20 . . 1 . . . . . . . . 4217 1 155 . 1 1 20 20 ALA HA H 1 4.29 . . 1 . . . . . . . . 4217 1 156 . 1 1 20 20 ALA HB1 H 1 1.30 . . 1 . . . . . . . . 4217 1 157 . 1 1 20 20 ALA HB2 H 1 1.30 . . 1 . . . . . . . . 4217 1 158 . 1 1 20 20 ALA HB3 H 1 1.30 . . 1 . . . . . . . . 4217 1 159 . 1 1 20 20 ALA CA C 13 50.55 . . 1 . . . . . . . . 4217 1 160 . 1 1 20 20 ALA CB C 13 18.17 . . 1 . . . . . . . . 4217 1 161 . 1 1 20 20 ALA N N 15 125.18 . . 1 . . . . . . . . 4217 1 162 . 1 1 21 21 ARG H H 1 8.63 . . 1 . . . . . . . . 4217 1 163 . 1 1 21 21 ARG HA H 1 4.82 . . 1 . . . . . . . . 4217 1 164 . 1 1 21 21 ARG HB2 H 1 1.52 . . 1 . . . . . . . . 4217 1 165 . 1 1 21 21 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 4217 1 166 . 1 1 21 21 ARG HG2 H 1 0.96 . . 1 . . . . . . . . 4217 1 167 . 1 1 21 21 ARG HG3 H 1 0.96 . . 1 . . . . . . . . 4217 1 168 . 1 1 21 21 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4217 1 169 . 1 1 21 21 ARG HD3 H 1 3.25 . . 1 . . . . . . . . 4217 1 170 . 1 1 21 21 ARG CA C 13 52.88 . . 1 . . . . . . . . 4217 1 171 . 1 1 21 21 ARG CB C 13 31.86 . . 1 . . . . . . . . 4217 1 172 . 1 1 21 21 ARG N N 15 126.93 . . 1 . . . . . . . . 4217 1 173 . 1 1 22 22 THR H H 1 8.97 . . 1 . . . . . . . . 4217 1 174 . 1 1 22 22 THR HA H 1 4.38 . . 1 . . . . . . . . 4217 1 175 . 1 1 22 22 THR HB H 1 4.06 . . 1 . . . . . . . . 4217 1 176 . 1 1 22 22 THR HG21 H 1 1.01 . . 1 . . . . . . . . 4217 1 177 . 1 1 22 22 THR HG22 H 1 1.01 . . 1 . . . . . . . . 4217 1 178 . 1 1 22 22 THR HG23 H 1 1.01 . . 1 . . . . . . . . 4217 1 179 . 1 1 22 22 THR CA C 13 60.81 . . 1 . . . . . . . . 4217 1 180 . 1 1 22 22 THR CB C 13 68.46 . . 1 . . . . . . . . 4217 1 181 . 1 1 22 22 THR N N 15 126.87 . . 1 . . . . . . . . 4217 1 182 . 1 1 23 23 VAL H H 1 8.63 . . 1 . . . . . . . . 4217 1 183 . 1 1 23 23 VAL HA H 1 4.42 . . 1 . . . . . . . . 4217 1 184 . 1 1 23 23 VAL HB H 1 1.90 . . 1 . . . . . . . . 4217 1 185 . 1 1 23 23 VAL HG11 H 1 0.81 . . 1 . . . . . . . . 4217 1 186 . 1 1 23 23 VAL HG12 H 1 0.81 . . 1 . . . . . . . . 4217 1 187 . 1 1 23 23 VAL HG13 H 1 0.81 . . 1 . . . . . . . . 4217 1 188 . 1 1 23 23 VAL HG21 H 1 0.77 . . 1 . . . . . . . . 4217 1 189 . 1 1 23 23 VAL HG22 H 1 0.77 . . 1 . . . . . . . . 4217 1 190 . 1 1 23 23 VAL HG23 H 1 0.77 . . 1 . . . . . . . . 4217 1 191 . 1 1 23 23 VAL CA C 13 60.70 . . 1 . . . . . . . . 4217 1 192 . 1 1 23 23 VAL CB C 13 31.71 . . 1 . . . . . . . . 4217 1 193 . 1 1 23 23 VAL N N 15 127.57 . . 1 . . . . . . . . 4217 1 194 . 1 1 24 24 ILE H H 1 9.42 . . 1 . . . . . . . . 4217 1 195 . 1 1 24 24 ILE HA H 1 4.57 . . 1 . . . . . . . . 4217 1 196 . 1 1 24 24 ILE HB H 1 1.78 . . 1 . . . . . . . . 4217 1 197 . 1 1 24 24 ILE HG12 H 1 1.00 . . 1 . . . . . . . . 4217 1 198 . 1 1 24 24 ILE HG13 H 1 1.00 . . 1 . . . . . . . . 4217 1 199 . 1 1 24 24 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 4217 1 200 . 1 1 24 24 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 4217 1 201 . 1 1 24 24 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 4217 1 202 . 1 1 24 24 ILE HD11 H 1 0.63 . . 1 . . . . . . . . 4217 1 203 . 1 1 24 24 ILE HD12 H 1 0.63 . . 1 . . . . . . . . 4217 1 204 . 1 1 24 24 ILE HD13 H 1 0.63 . . 1 . . . . . . . . 4217 1 205 . 1 1 24 24 ILE CA C 13 56.72 . . 1 . . . . . . . . 4217 1 206 . 1 1 24 24 ILE CB C 13 39.12 . . 1 . . . . . . . . 4217 1 207 . 1 1 24 24 ILE N N 15 132.62 . . 1 . . . . . . . . 4217 1 208 . 1 1 25 25 PRO HA H 1 4.46 . . 1 . . . . . . . . 4217 1 209 . 1 1 25 25 PRO HB2 H 1 2.35 . . 1 . . . . . . . . 4217 1 210 . 1 1 25 25 PRO HB3 H 1 2.05 . . 1 . . . . . . . . 4217 1 211 . 1 1 25 25 PRO HG2 H 1 2.16 . . 1 . . . . . . . . 4217 1 212 . 1 1 25 25 PRO HG3 H 1 2.16 . . 1 . . . . . . . . 4217 1 213 . 1 1 25 25 PRO HD2 H 1 3.56 . . 1 . . . . . . . . 4217 1 214 . 1 1 25 25 PRO HD3 H 1 3.79 . . 1 . . . . . . . . 4217 1 215 . 1 1 25 25 PRO CA C 13 61.43 . . 1 . . . . . . . . 4217 1 216 . 1 1 25 25 PRO CB C 13 30.95 . . 1 . . . . . . . . 4217 1 217 . 1 1 26 26 ALA H H 1 8.36 . . 1 . . . . . . . . 4217 1 218 . 1 1 26 26 ALA HA H 1 3.94 . . 1 . . . . . . . . 4217 1 219 . 1 1 26 26 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4217 1 220 . 1 1 26 26 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4217 1 221 . 1 1 26 26 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4217 1 222 . 1 1 26 26 ALA CA C 13 54.24 . . 1 . . . . . . . . 4217 1 223 . 1 1 26 26 ALA CB C 13 17.30 . . 1 . . . . . . . . 4217 1 224 . 1 1 26 26 ALA N N 15 124.80 . . 1 . . . . . . . . 4217 1 225 . 1 1 27 27 SER H H 1 8.55 . . 1 . . . . . . . . 4217 1 226 . 1 1 27 27 SER HA H 1 4.29 . . 1 . . . . . . . . 4217 1 227 . 1 1 27 27 SER HB2 H 1 3.93 . . 1 . . . . . . . . 4217 1 228 . 1 1 27 27 SER HB3 H 1 3.98 . . 1 . . . . . . . . 4217 1 229 . 1 1 27 27 SER CA C 13 59.42 . . 1 . . . . . . . . 4217 1 230 . 1 1 27 27 SER CB C 13 60.41 . . 1 . . . . . . . . 4217 1 231 . 1 1 27 27 SER N N 15 112.19 . . 1 . . . . . . . . 4217 1 232 . 1 1 28 28 ASP H H 1 7.60 . . 1 . . . . . . . . 4217 1 233 . 1 1 28 28 ASP HA H 1 4.45 . . 1 . . . . . . . . 4217 1 234 . 1 1 28 28 ASP HB2 H 1 2.46 . . 1 . . . . . . . . 4217 1 235 . 1 1 28 28 ASP HB3 H 1 2.85 . . 1 . . . . . . . . 4217 1 236 . 1 1 28 28 ASP CA C 13 55.92 . . 1 . . . . . . . . 4217 1 237 . 1 1 28 28 ASP CB C 13 37.78 . . 1 . . . . . . . . 4217 1 238 . 1 1 28 28 ASP N N 15 124.43 . . 1 . . . . . . . . 4217 1 239 . 1 1 29 29 MET H H 1 7.34 . . 1 . . . . . . . . 4217 1 240 . 1 1 29 29 MET HA H 1 4.17 . . 1 . . . . . . . . 4217 1 241 . 1 1 29 29 MET HB2 H 1 1.93 . . 1 . . . . . . . . 4217 1 242 . 1 1 29 29 MET HB3 H 1 2.38 . . 1 . . . . . . . . 4217 1 243 . 1 1 29 29 MET HG2 H 1 2.34 . . 1 . . . . . . . . 4217 1 244 . 1 1 29 29 MET HG3 H 1 2.34 . . 1 . . . . . . . . 4217 1 245 . 1 1 29 29 MET CA C 13 56.89 . . 1 . . . . . . . . 4217 1 246 . 1 1 29 29 MET CB C 13 29.93 . . 1 . . . . . . . . 4217 1 247 . 1 1 29 29 MET N N 15 119.96 . . 1 . . . . . . . . 4217 1 248 . 1 1 30 30 GLU H H 1 8.29 . . 1 . . . . . . . . 4217 1 249 . 1 1 30 30 GLU HA H 1 3.95 . . 1 . . . . . . . . 4217 1 250 . 1 1 30 30 GLU HB2 H 1 2.09 . . 1 . . . . . . . . 4217 1 251 . 1 1 30 30 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 4217 1 252 . 1 1 30 30 GLU HG2 H 1 2.36 . . 1 . . . . . . . . 4217 1 253 . 1 1 30 30 GLU HG3 H 1 2.36 . . 1 . . . . . . . . 4217 1 254 . 1 1 30 30 GLU CA C 13 57.80 . . 1 . . . . . . . . 4217 1 255 . 1 1 30 30 GLU CB C 13 28.22 . . 1 . . . . . . . . 4217 1 256 . 1 1 30 30 GLU N N 15 123.08 . . 1 . . . . . . . . 4217 1 257 . 1 1 31 31 LYS H H 1 7.96 . . 1 . . . . . . . . 4217 1 258 . 1 1 31 31 LYS HA H 1 4.04 . . 1 . . . . . . . . 4217 1 259 . 1 1 31 31 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 4217 1 260 . 1 1 31 31 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 4217 1 261 . 1 1 31 31 LYS HG2 H 1 1.50 . . 1 . . . . . . . . 4217 1 262 . 1 1 31 31 LYS HG3 H 1 1.58 . . 1 . . . . . . . . 4217 1 263 . 1 1 31 31 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 4217 1 264 . 1 1 31 31 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4217 1 265 . 1 1 31 31 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 4217 1 266 . 1 1 31 31 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4217 1 267 . 1 1 31 31 LYS CA C 13 57.80 . . 1 . . . . . . . . 4217 1 268 . 1 1 31 31 LYS CB C 13 31.12 . . 1 . . . . . . . . 4217 1 269 . 1 1 31 31 LYS N N 15 119.58 . . 1 . . . . . . . . 4217 1 270 . 1 1 32 32 ALA H H 1 7.22 . . 1 . . . . . . . . 4217 1 271 . 1 1 32 32 ALA HA H 1 4.25 . . 1 . . . . . . . . 4217 1 272 . 1 1 32 32 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4217 1 273 . 1 1 32 32 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4217 1 274 . 1 1 32 32 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4217 1 275 . 1 1 32 32 ALA CA C 13 51.84 . . 1 . . . . . . . . 4217 1 276 . 1 1 32 32 ALA CB C 13 18.12 . . 1 . . . . . . . . 4217 1 277 . 1 1 32 32 ALA N N 15 120.55 . . 1 . . . . . . . . 4217 1 278 . 1 1 33 33 GLY H H 1 7.26 . . 1 . . . . . . . . 4217 1 279 . 1 1 33 33 GLY HA2 H 1 4.06 . . 1 . . . . . . . . 4217 1 280 . 1 1 33 33 GLY HA3 H 1 4.16 . . 1 . . . . . . . . 4217 1 281 . 1 1 33 33 GLY CA C 13 45.27 . . 1 . . . . . . . . 4217 1 282 . 1 1 33 33 GLY N N 15 104.49 . . 1 . . . . . . . . 4217 1 283 . 1 1 34 34 THR H H 1 9.14 . . 1 . . . . . . . . 4217 1 284 . 1 1 34 34 THR HA H 1 4.37 . . 1 . . . . . . . . 4217 1 285 . 1 1 34 34 THR HB H 1 4.19 . . 1 . . . . . . . . 4217 1 286 . 1 1 34 34 THR HG21 H 1 1.15 . . 1 . . . . . . . . 4217 1 287 . 1 1 34 34 THR HG22 H 1 1.15 . . 1 . . . . . . . . 4217 1 288 . 1 1 34 34 THR HG23 H 1 1.15 . . 1 . . . . . . . . 4217 1 289 . 1 1 34 34 THR CA C 13 62.14 . . 1 . . . . . . . . 4217 1 290 . 1 1 34 34 THR CB C 13 66.37 . . 1 . . . . . . . . 4217 1 291 . 1 1 34 34 THR N N 15 120.74 . . 1 . . . . . . . . 4217 1 292 . 1 1 35 35 ASP H H 1 8.17 . . 1 . . . . . . . . 4217 1 293 . 1 1 35 35 ASP HA H 1 4.58 . . 1 . . . . . . . . 4217 1 294 . 1 1 35 35 ASP HB2 H 1 2.76 . . 1 . . . . . . . . 4217 1 295 . 1 1 35 35 ASP HB3 H 1 3.07 . . 1 . . . . . . . . 4217 1 296 . 1 1 35 35 ASP CA C 13 55.90 . . 1 . . . . . . . . 4217 1 297 . 1 1 35 35 ASP CB C 13 39.41 . . 1 . . . . . . . . 4217 1 298 . 1 1 35 35 ASP N N 15 122.52 . . 1 . . . . . . . . 4217 1 299 . 1 1 36 36 GLY H H 1 6.58 . . 1 . . . . . . . . 4217 1 300 . 1 1 36 36 GLY HA2 H 1 3.64 . . 1 . . . . . . . . 4217 1 301 . 1 1 36 36 GLY HA3 H 1 3.79 . . 1 . . . . . . . . 4217 1 302 . 1 1 36 36 GLY CA C 13 42.63 . . 1 . . . . . . . . 4217 1 303 . 1 1 36 36 GLY N N 15 101.57 . . 1 . . . . . . . . 4217 1 304 . 1 1 37 37 VAL H H 1 9.05 . . 1 . . . . . . . . 4217 1 305 . 1 1 37 37 VAL HA H 1 4.18 . . 1 . . . . . . . . 4217 1 306 . 1 1 37 37 VAL HB H 1 1.77 . . 1 . . . . . . . . 4217 1 307 . 1 1 37 37 VAL HG11 H 1 0.72 . . 1 . . . . . . . . 4217 1 308 . 1 1 37 37 VAL HG12 H 1 0.72 . . 1 . . . . . . . . 4217 1 309 . 1 1 37 37 VAL HG13 H 1 0.72 . . 1 . . . . . . . . 4217 1 310 . 1 1 37 37 VAL HG21 H 1 0.69 . . 1 . . . . . . . . 4217 1 311 . 1 1 37 37 VAL HG22 H 1 0.69 . . 1 . . . . . . . . 4217 1 312 . 1 1 37 37 VAL HG23 H 1 0.69 . . 1 . . . . . . . . 4217 1 313 . 1 1 37 37 VAL CA C 13 58.89 . . 1 . . . . . . . . 4217 1 314 . 1 1 37 37 VAL CB C 13 33.02 . . 1 . . . . . . . . 4217 1 315 . 1 1 37 37 VAL N N 15 118.77 . . 1 . . . . . . . . 4217 1 316 . 1 1 38 38 LYS H H 1 8.34 . . 1 . . . . . . . . 4217 1 317 . 1 1 38 38 LYS HA H 1 4.39 . . 1 . . . . . . . . 4217 1 318 . 1 1 38 38 LYS HB2 H 1 1.60 . . 1 . . . . . . . . 4217 1 319 . 1 1 38 38 LYS HB3 H 1 1.60 . . 1 . . . . . . . . 4217 1 320 . 1 1 38 38 LYS HG2 H 1 1.33 . . 1 . . . . . . . . 4217 1 321 . 1 1 38 38 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 4217 1 322 . 1 1 38 38 LYS CA C 13 54.86 . . 1 . . . . . . . . 4217 1 323 . 1 1 38 38 LYS CB C 13 31.00 . . 1 . . . . . . . . 4217 1 324 . 1 1 38 38 LYS N N 15 128.10 . . 1 . . . . . . . . 4217 1 325 . 1 1 39 39 LEU H H 1 8.48 . . 1 . . . . . . . . 4217 1 326 . 1 1 39 39 LEU HA H 1 4.25 . . 1 . . . . . . . . 4217 1 327 . 1 1 39 39 LEU HB2 H 1 1.89 . . 1 . . . . . . . . 4217 1 328 . 1 1 39 39 LEU HB3 H 1 1.08 . . 1 . . . . . . . . 4217 1 329 . 1 1 39 39 LEU HG H 1 1.56 . . 1 . . . . . . . . 4217 1 330 . 1 1 39 39 LEU HD11 H 1 0.54 . . 1 . . . . . . . . 4217 1 331 . 1 1 39 39 LEU HD12 H 1 0.54 . . 1 . . . . . . . . 4217 1 332 . 1 1 39 39 LEU HD13 H 1 0.54 . . 1 . . . . . . . . 4217 1 333 . 1 1 39 39 LEU HD21 H 1 0.43 . . 1 . . . . . . . . 4217 1 334 . 1 1 39 39 LEU HD22 H 1 0.43 . . 1 . . . . . . . . 4217 1 335 . 1 1 39 39 LEU HD23 H 1 0.43 . . 1 . . . . . . . . 4217 1 336 . 1 1 39 39 LEU CA C 13 51.23 . . 1 . . . . . . . . 4217 1 337 . 1 1 39 39 LEU CB C 13 37.96 . . 1 . . . . . . . . 4217 1 338 . 1 1 39 39 LEU N N 15 125.38 . . 1 . . . . . . . . 4217 1 339 . 1 1 40 40 PRO HA H 1 4.36 . . 1 . . . . . . . . 4217 1 340 . 1 1 40 40 PRO HB2 H 1 1.87 . . 1 . . . . . . . . 4217 1 341 . 1 1 40 40 PRO HB3 H 1 2.33 . . 1 . . . . . . . . 4217 1 342 . 1 1 40 40 PRO HG2 H 1 1.78 . . 1 . . . . . . . . 4217 1 343 . 1 1 40 40 PRO HG3 H 1 1.97 . . 1 . . . . . . . . 4217 1 344 . 1 1 40 40 PRO HD2 H 1 3.68 . . 1 . . . . . . . . 4217 1 345 . 1 1 40 40 PRO HD3 H 1 3.32 . . 1 . . . . . . . . 4217 1 346 . 1 1 40 40 PRO CA C 13 61.15 . . 1 . . . . . . . . 4217 1 347 . 1 1 40 40 PRO CB C 13 30.71 . . 1 . . . . . . . . 4217 1 348 . 1 1 41 41 ALA H H 1 8.59 . . 1 . . . . . . . . 4217 1 349 . 1 1 41 41 ALA HA H 1 4.06 . . 1 . . . . . . . . 4217 1 350 . 1 1 41 41 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4217 1 351 . 1 1 41 41 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4217 1 352 . 1 1 41 41 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4217 1 353 . 1 1 41 41 ALA CA C 13 52.90 . . 1 . . . . . . . . 4217 1 354 . 1 1 41 41 ALA CB C 13 16.77 . . 1 . . . . . . . . 4217 1 355 . 1 1 41 41 ALA N N 15 126.86 . . 1 . . . . . . . . 4217 1 356 . 1 1 42 42 SER H H 1 7.56 . . 1 . . . . . . . . 4217 1 357 . 1 1 42 42 SER HA H 1 4.12 . . 1 . . . . . . . . 4217 1 358 . 1 1 42 42 SER HB2 H 1 3.81 . . 1 . . . . . . . . 4217 1 359 . 1 1 42 42 SER HB3 H 1 3.90 . . 1 . . . . . . . . 4217 1 360 . 1 1 42 42 SER CA C 13 56.06 . . 1 . . . . . . . . 4217 1 361 . 1 1 42 42 SER CB C 13 62.12 . . 1 . . . . . . . . 4217 1 362 . 1 1 42 42 SER N N 15 109.27 . . 1 . . . . . . . . 4217 1 363 . 1 1 43 43 ALA H H 1 7.50 . . 1 . . . . . . . . 4217 1 364 . 1 1 43 43 ALA HA H 1 4.23 . . 1 . . . . . . . . 4217 1 365 . 1 1 43 43 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 4217 1 366 . 1 1 43 43 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 4217 1 367 . 1 1 43 43 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 4217 1 368 . 1 1 43 43 ALA CA C 13 51.81 . . 1 . . . . . . . . 4217 1 369 . 1 1 43 43 ALA CB C 13 17.82 . . 1 . . . . . . . . 4217 1 370 . 1 1 43 43 ALA N N 15 124.48 . . 1 . . . . . . . . 4217 1 371 . 1 1 44 44 ARG H H 1 9.36 . . 1 . . . . . . . . 4217 1 372 . 1 1 44 44 ARG HA H 1 4.53 . . 1 . . . . . . . . 4217 1 373 . 1 1 44 44 ARG HB2 H 1 1.85 . . 1 . . . . . . . . 4217 1 374 . 1 1 44 44 ARG HB3 H 1 1.19 . . 1 . . . . . . . . 4217 1 375 . 1 1 44 44 ARG HG2 H 1 1.56 . . 1 . . . . . . . . 4217 1 376 . 1 1 44 44 ARG HG3 H 1 1.43 . . 1 . . . . . . . . 4217 1 377 . 1 1 44 44 ARG HD2 H 1 3.26 . . 1 . . . . . . . . 4217 1 378 . 1 1 44 44 ARG HD3 H 1 3.26 . . 1 . . . . . . . . 4217 1 379 . 1 1 44 44 ARG CA C 13 53.57 . . 1 . . . . . . . . 4217 1 380 . 1 1 44 44 ARG CB C 13 31.42 . . 1 . . . . . . . . 4217 1 381 . 1 1 44 44 ARG N N 15 121.08 . . 1 . . . . . . . . 4217 1 382 . 1 1 45 45 SER H H 1 8.16 . . 1 . . . . . . . . 4217 1 383 . 1 1 45 45 SER HA H 1 4.46 . . 1 . . . . . . . . 4217 1 384 . 1 1 45 45 SER HB2 H 1 4.10 . . 1 . . . . . . . . 4217 1 385 . 1 1 45 45 SER HB3 H 1 4.10 . . 1 . . . . . . . . 4217 1 386 . 1 1 45 45 SER CA C 13 57.28 . . 1 . . . . . . . . 4217 1 387 . 1 1 45 45 SER CB C 13 63.11 . . 1 . . . . . . . . 4217 1 388 . 1 1 45 45 SER N N 15 110.02 . . 1 . . . . . . . . 4217 1 389 . 1 1 46 46 PHE H H 1 8.52 . . 1 . . . . . . . . 4217 1 390 . 1 1 46 46 PHE HA H 1 5.74 . . 1 . . . . . . . . 4217 1 391 . 1 1 46 46 PHE HB2 H 1 3.01 . . 1 . . . . . . . . 4217 1 392 . 1 1 46 46 PHE HB3 H 1 3.20 . . 1 . . . . . . . . 4217 1 393 . 1 1 46 46 PHE HD1 H 1 6.79 . . 1 . . . . . . . . 4217 1 394 . 1 1 46 46 PHE HD2 H 1 6.79 . . 1 . . . . . . . . 4217 1 395 . 1 1 46 46 PHE HE1 H 1 7.10 . . 1 . . . . . . . . 4217 1 396 . 1 1 46 46 PHE HE2 H 1 7.10 . . 1 . . . . . . . . 4217 1 397 . 1 1 46 46 PHE HZ H 1 6.80 . . 1 . . . . . . . . 4217 1 398 . 1 1 46 46 PHE CA C 13 55.91 . . 1 . . . . . . . . 4217 1 399 . 1 1 46 46 PHE CB C 13 40.14 . . 1 . . . . . . . . 4217 1 400 . 1 1 46 46 PHE N N 15 114.03 . . 1 . . . . . . . . 4217 1 401 . 1 1 47 47 ALA H H 1 9.72 . . 1 . . . . . . . . 4217 1 402 . 1 1 47 47 ALA HA H 1 4.77 . . 1 . . . . . . . . 4217 1 403 . 1 1 47 47 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 4217 1 404 . 1 1 47 47 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 4217 1 405 . 1 1 47 47 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 4217 1 406 . 1 1 47 47 ALA CA C 13 49.45 . . 1 . . . . . . . . 4217 1 407 . 1 1 47 47 ALA CB C 13 21.18 . . 1 . . . . . . . . 4217 1 408 . 1 1 47 47 ALA N N 15 123.71 . . 1 . . . . . . . . 4217 1 409 . 1 1 48 48 ASN H H 1 8.83 . . 1 . . . . . . . . 4217 1 410 . 1 1 48 48 ASN HA H 1 4.92 . . 1 . . . . . . . . 4217 1 411 . 1 1 48 48 ASN HB2 H 1 3.61 . . 1 . . . . . . . . 4217 1 412 . 1 1 48 48 ASN HB3 H 1 2.23 . . 1 . . . . . . . . 4217 1 413 . 1 1 48 48 ASN HD22 H 1 8.15 . . 1 . . . . . . . . 4217 1 414 . 1 1 48 48 ASN HD21 H 1 6.50 . . 1 . . . . . . . . 4217 1 415 . 1 1 48 48 ASN CA C 13 49.71 . . 1 . . . . . . . . 4217 1 416 . 1 1 48 48 ASN CB C 13 36.99 . . 1 . . . . . . . . 4217 1 417 . 1 1 48 48 ASN N N 15 120.79 . . 1 . . . . . . . . 4217 1 418 . 1 1 48 48 ASN ND2 N 15 115.06 . . 1 . . . . . . . . 4217 1 419 . 1 1 49 49 GLY H H 1 8.12 . . 1 . . . . . . . . 4217 1 420 . 1 1 49 49 GLY HA2 H 1 3.81 . . 1 . . . . . . . . 4217 1 421 . 1 1 49 49 GLY HA3 H 1 4.50 . . 1 . . . . . . . . 4217 1 422 . 1 1 49 49 GLY CA C 13 44.80 . . 1 . . . . . . . . 4217 1 423 . 1 1 49 49 GLY N N 15 117.38 . . 1 . . . . . . . . 4217 1 424 . 1 1 50 50 THR H H 1 7.69 . . 1 . . . . . . . . 4217 1 425 . 1 1 50 50 THR HA H 1 4.31 . . 1 . . . . . . . . 4217 1 426 . 1 1 50 50 THR HB H 1 3.79 . . 1 . . . . . . . . 4217 1 427 . 1 1 50 50 THR HG21 H 1 0.85 . . 1 . . . . . . . . 4217 1 428 . 1 1 50 50 THR HG22 H 1 0.85 . . 1 . . . . . . . . 4217 1 429 . 1 1 50 50 THR HG23 H 1 0.85 . . 1 . . . . . . . . 4217 1 430 . 1 1 50 50 THR CA C 13 59.43 . . 1 . . . . . . . . 4217 1 431 . 1 1 50 50 THR CB C 13 68.19 . . 1 . . . . . . . . 4217 1 432 . 1 1 50 50 THR N N 15 113.13 . . 1 . . . . . . . . 4217 1 433 . 1 1 51 51 HIS H H 1 7.99 . . 1 . . . . . . . . 4217 1 434 . 1 1 51 51 HIS HA H 1 4.73 . . 1 . . . . . . . . 4217 1 435 . 1 1 51 51 HIS HB2 H 1 2.97 . . 1 . . . . . . . . 4217 1 436 . 1 1 51 51 HIS HB3 H 1 3.27 . . 1 . . . . . . . . 4217 1 437 . 1 1 51 51 HIS HD2 H 1 6.96 . . 4 . . . . . . . . 4217 1 438 . 1 1 51 51 HIS HE1 H 1 9.44 . . 4 . . . . . . . . 4217 1 439 . 1 1 51 51 HIS CA C 13 52.87 . . 1 . . . . . . . . 4217 1 440 . 1 1 51 51 HIS CB C 13 27.16 . . 1 . . . . . . . . 4217 1 441 . 1 1 51 51 HIS N N 15 113.99 . . 1 . . . . . . . . 4217 1 442 . 1 1 52 52 PHE H H 1 8.33 . . 1 . . . . . . . . 4217 1 443 . 1 1 52 52 PHE HA H 1 5.07 . . 1 . . . . . . . . 4217 1 444 . 1 1 52 52 PHE HB2 H 1 2.97 . . 1 . . . . . . . . 4217 1 445 . 1 1 52 52 PHE HB3 H 1 3.14 . . 1 . . . . . . . . 4217 1 446 . 1 1 52 52 PHE HD1 H 1 6.80 . . 1 . . . . . . . . 4217 1 447 . 1 1 52 52 PHE HD2 H 1 6.80 . . 1 . . . . . . . . 4217 1 448 . 1 1 52 52 PHE HE1 H 1 7.29 . . 1 . . . . . . . . 4217 1 449 . 1 1 52 52 PHE HE2 H 1 7.29 . . 1 . . . . . . . . 4217 1 450 . 1 1 52 52 PHE HZ H 1 7.18 . . 1 . . . . . . . . 4217 1 451 . 1 1 52 52 PHE CA C 13 53.08 . . 1 . . . . . . . . 4217 1 452 . 1 1 52 52 PHE CB C 13 39.27 . . 1 . . . . . . . . 4217 1 453 . 1 1 52 52 PHE N N 15 121.10 . . 1 . . . . . . . . 4217 1 454 . 1 1 53 53 THR H H 1 8.82 . . 1 . . . . . . . . 4217 1 455 . 1 1 53 53 THR HA H 1 4.37 . . 1 . . . . . . . . 4217 1 456 . 1 1 53 53 THR HB H 1 4.21 . . 1 . . . . . . . . 4217 1 457 . 1 1 53 53 THR HG21 H 1 1.15 . . 1 . . . . . . . . 4217 1 458 . 1 1 53 53 THR HG22 H 1 1.15 . . 1 . . . . . . . . 4217 1 459 . 1 1 53 53 THR HG23 H 1 1.15 . . 1 . . . . . . . . 4217 1 460 . 1 1 53 53 THR CA C 13 62.67 . . 1 . . . . . . . . 4217 1 461 . 1 1 53 53 THR CB C 13 67.25 . . 1 . . . . . . . . 4217 1 462 . 1 1 53 53 THR N N 15 120.79 . . 1 . . . . . . . . 4217 1 463 . 1 1 54 54 LEU H H 1 8.56 . . 1 . . . . . . . . 4217 1 464 . 1 1 54 54 LEU HA H 1 5.29 . . 1 . . . . . . . . 4217 1 465 . 1 1 54 54 LEU HB2 H 1 1.56 . . 1 . . . . . . . . 4217 1 466 . 1 1 54 54 LEU HB3 H 1 1.39 . . 1 . . . . . . . . 4217 1 467 . 1 1 54 54 LEU HG H 1 1.76 . . 1 . . . . . . . . 4217 1 468 . 1 1 54 54 LEU HD11 H 1 0.71 . . 1 . . . . . . . . 4217 1 469 . 1 1 54 54 LEU HD12 H 1 0.71 . . 1 . . . . . . . . 4217 1 470 . 1 1 54 54 LEU HD13 H 1 0.71 . . 1 . . . . . . . . 4217 1 471 . 1 1 54 54 LEU HD21 H 1 0.66 . . 1 . . . . . . . . 4217 1 472 . 1 1 54 54 LEU HD22 H 1 0.66 . . 1 . . . . . . . . 4217 1 473 . 1 1 54 54 LEU HD23 H 1 0.66 . . 1 . . . . . . . . 4217 1 474 . 1 1 54 54 LEU CA C 13 50.84 . . 1 . . . . . . . . 4217 1 475 . 1 1 54 54 LEU CB C 13 42.21 . . 1 . . . . . . . . 4217 1 476 . 1 1 54 54 LEU N N 15 127.57 . . 1 . . . . . . . . 4217 1 477 . 1 1 55 55 ARG H H 1 9.25 . . 1 . . . . . . . . 4217 1 478 . 1 1 55 55 ARG HA H 1 4.96 . . 1 . . . . . . . . 4217 1 479 . 1 1 55 55 ARG HB2 H 1 1.81 . . 1 . . . . . . . . 4217 1 480 . 1 1 55 55 ARG HB3 H 1 2.05 . . 1 . . . . . . . . 4217 1 481 . 1 1 55 55 ARG HG2 H 1 0.95 . . 1 . . . . . . . . 4217 1 482 . 1 1 55 55 ARG HG3 H 1 0.95 . . 1 . . . . . . . . 4217 1 483 . 1 1 55 55 ARG HD2 H 1 2.43 . . 1 . . . . . . . . 4217 1 484 . 1 1 55 55 ARG HD3 H 1 2.84 . . 1 . . . . . . . . 4217 1 485 . 1 1 55 55 ARG CA C 13 52.90 . . 1 . . . . . . . . 4217 1 486 . 1 1 55 55 ARG CB C 13 32.63 . . 1 . . . . . . . . 4217 1 487 . 1 1 55 55 ARG N N 15 122.92 . . 1 . . . . . . . . 4217 1 488 . 1 1 56 56 TYR H H 1 7.83 . . 1 . . . . . . . . 4217 1 489 . 1 1 56 56 TYR HA H 1 5.87 . . 1 . . . . . . . . 4217 1 490 . 1 1 56 56 TYR HB2 H 1 2.77 . . 1 . . . . . . . . 4217 1 491 . 1 1 56 56 TYR HB3 H 1 2.77 . . 1 . . . . . . . . 4217 1 492 . 1 1 56 56 TYR HD1 H 1 6.64 . . 1 . . . . . . . . 4217 1 493 . 1 1 56 56 TYR HD2 H 1 6.64 . . 1 . . . . . . . . 4217 1 494 . 1 1 56 56 TYR HE1 H 1 6.43 . . 1 . . . . . . . . 4217 1 495 . 1 1 56 56 TYR HE2 H 1 6.43 . . 1 . . . . . . . . 4217 1 496 . 1 1 56 56 TYR CA C 13 53.97 . . 1 . . . . . . . . 4217 1 497 . 1 1 56 56 TYR CB C 13 41.43 . . 1 . . . . . . . . 4217 1 498 . 1 1 56 56 TYR N N 15 114.77 . . 1 . . . . . . . . 4217 1 499 . 1 1 57 57 GLY H H 1 8.90 . . 1 . . . . . . . . 4217 1 500 . 1 1 57 57 GLY HA2 H 1 3.71 . . 1 . . . . . . . . 4217 1 501 . 1 1 57 57 GLY HA3 H 1 5.47 . . 1 . . . . . . . . 4217 1 502 . 1 1 57 57 GLY CA C 13 44.10 . . 1 . . . . . . . . 4217 1 503 . 1 1 57 57 GLY N N 15 108.65 . . 1 . . . . . . . . 4217 1 504 . 1 1 58 58 PRO HA H 1 4.72 . . 1 . . . . . . . . 4217 1 505 . 1 1 58 58 PRO HB2 H 1 2.23 . . 1 . . . . . . . . 4217 1 506 . 1 1 58 58 PRO HB3 H 1 1.98 . . 1 . . . . . . . . 4217 1 507 . 1 1 58 58 PRO HG2 H 1 2.02 . . 1 . . . . . . . . 4217 1 508 . 1 1 58 58 PRO HG3 H 1 2.13 . . 1 . . . . . . . . 4217 1 509 . 1 1 58 58 PRO HD2 H 1 3.86 . . 1 . . . . . . . . 4217 1 510 . 1 1 58 58 PRO HD3 H 1 3.44 . . 1 . . . . . . . . 4217 1 511 . 1 1 58 58 PRO CA C 13 61.29 . . 1 . . . . . . . . 4217 1 512 . 1 1 58 58 PRO CB C 13 30.77 . . 1 . . . . . . . . 4217 1 513 . 1 1 59 59 ALA H H 1 8.27 . . 1 . . . . . . . . 4217 1 514 . 1 1 59 59 ALA HA H 1 4.32 . . 1 . . . . . . . . 4217 1 515 . 1 1 59 59 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 4217 1 516 . 1 1 59 59 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 4217 1 517 . 1 1 59 59 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 4217 1 518 . 1 1 59 59 ALA CA C 13 51.66 . . 1 . . . . . . . . 4217 1 519 . 1 1 59 59 ALA CB C 13 17.99 . . 1 . . . . . . . . 4217 1 520 . 1 1 59 59 ALA N N 15 125.42 . . 1 . . . . . . . . 4217 1 521 . 1 1 60 60 ARG H H 1 7.93 . . 1 . . . . . . . . 4217 1 522 . 1 1 60 60 ARG HA H 1 4.39 . . 1 . . . . . . . . 4217 1 523 . 1 1 60 60 ARG HB2 H 1 1.59 . . 1 . . . . . . . . 4217 1 524 . 1 1 60 60 ARG HB3 H 1 1.70 . . 1 . . . . . . . . 4217 1 525 . 1 1 60 60 ARG HG2 H 1 1.29 . . 1 . . . . . . . . 4217 1 526 . 1 1 60 60 ARG HG3 H 1 1.38 . . 1 . . . . . . . . 4217 1 527 . 1 1 60 60 ARG CA C 13 53.95 . . 1 . . . . . . . . 4217 1 528 . 1 1 60 60 ARG CB C 13 30.54 . . 1 . . . . . . . . 4217 1 529 . 1 1 60 60 ARG N N 15 122.19 . . 1 . . . . . . . . 4217 1 530 . 1 1 61 61 LYS H H 1 8.24 . . 1 . . . . . . . . 4217 1 531 . 1 1 61 61 LYS HA H 1 4.65 . . 1 . . . . . . . . 4217 1 532 . 1 1 61 61 LYS HB2 H 1 1.70 . . 1 . . . . . . . . 4217 1 533 . 1 1 61 61 LYS HB3 H 1 1.66 . . 1 . . . . . . . . 4217 1 534 . 1 1 61 61 LYS HG2 H 1 1.31 . . 1 . . . . . . . . 4217 1 535 . 1 1 61 61 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 4217 1 536 . 1 1 61 61 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 4217 1 537 . 1 1 61 61 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 4217 1 538 . 1 1 61 61 LYS CA C 13 54.24 . . 1 . . . . . . . . 4217 1 539 . 1 1 61 61 LYS CB C 13 30.77 . . 1 . . . . . . . . 4217 1 540 . 1 1 61 61 LYS N N 15 125.56 . . 1 . . . . . . . . 4217 1 541 . 1 1 62 62 VAL H H 1 8.42 . . 1 . . . . . . . . 4217 1 542 . 1 1 62 62 VAL HA H 1 4.51 . . 1 . . . . . . . . 4217 1 543 . 1 1 62 62 VAL HB H 1 1.93 . . 1 . . . . . . . . 4217 1 544 . 1 1 62 62 VAL HG21 H 1 0.75 . . 2 . . . . . . . . 4217 1 545 . 1 1 62 62 VAL HG22 H 1 0.75 . . 2 . . . . . . . . 4217 1 546 . 1 1 62 62 VAL HG23 H 1 0.75 . . 2 . . . . . . . . 4217 1 547 . 1 1 62 62 VAL CA C 13 58.70 . . 1 . . . . . . . . 4217 1 548 . 1 1 62 62 VAL CB C 13 34.61 . . 1 . . . . . . . . 4217 1 549 . 1 1 62 62 VAL N N 15 124.59 . . 1 . . . . . . . . 4217 1 550 . 1 1 63 63 THR H H 1 8.26 . . 1 . . . . . . . . 4217 1 551 . 1 1 63 63 THR HA H 1 4.46 . . 1 . . . . . . . . 4217 1 552 . 1 1 63 63 THR HB H 1 4.01 . . 1 . . . . . . . . 4217 1 553 . 1 1 63 63 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4217 1 554 . 1 1 63 63 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4217 1 555 . 1 1 63 63 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4217 1 556 . 1 1 63 63 THR CA C 13 60.02 . . 1 . . . . . . . . 4217 1 557 . 1 1 63 63 THR CB C 13 68.17 . . 1 . . . . . . . . 4217 1 558 . 1 1 63 63 THR N N 15 121.17 . . 1 . . . . . . . . 4217 1 559 . 1 1 64 64 CYS H H 1 8.67 . . 1 . . . . . . . . 4217 1 560 . 1 1 64 64 CYS HA H 1 4.91 . . 1 . . . . . . . . 4217 1 561 . 1 1 64 64 CYS HB2 H 1 3.25 . . 1 . . . . . . . . 4217 1 562 . 1 1 64 64 CYS HB3 H 1 2.77 . . 1 . . . . . . . . 4217 1 563 . 1 1 64 64 CYS CA C 13 53.39 . . 1 . . . . . . . . 4217 1 564 . 1 1 64 64 CYS CB C 13 39.82 . . 1 . . . . . . . . 4217 1 565 . 1 1 64 64 CYS N N 15 123.91 . . 1 . . . . . . . . 4217 1 566 . 1 1 65 65 VAL H H 1 8.42 . . 1 . . . . . . . . 4217 1 567 . 1 1 65 65 VAL HA H 1 4.15 . . 1 . . . . . . . . 4217 1 568 . 1 1 65 65 VAL HB H 1 2.15 . . 1 . . . . . . . . 4217 1 569 . 1 1 65 65 VAL HG21 H 1 0.86 . . 2 . . . . . . . . 4217 1 570 . 1 1 65 65 VAL HG22 H 1 0.86 . . 2 . . . . . . . . 4217 1 571 . 1 1 65 65 VAL HG23 H 1 0.86 . . 2 . . . . . . . . 4217 1 572 . 1 1 65 65 VAL CA C 13 61.01 . . 1 . . . . . . . . 4217 1 573 . 1 1 65 65 VAL CB C 13 30.95 . . 1 . . . . . . . . 4217 1 574 . 1 1 65 65 VAL N N 15 119.43 . . 1 . . . . . . . . 4217 1 575 . 1 1 66 66 ARG H H 1 7.32 . . 1 . . . . . . . . 4217 1 576 . 1 1 66 66 ARG HA H 1 4.51 . . 1 . . . . . . . . 4217 1 577 . 1 1 66 66 ARG HB2 H 1 1.71 . . 1 . . . . . . . . 4217 1 578 . 1 1 66 66 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 4217 1 579 . 1 1 66 66 ARG HG2 H 1 1.35 . . 1 . . . . . . . . 4217 1 580 . 1 1 66 66 ARG HG3 H 1 1.48 . . 1 . . . . . . . . 4217 1 581 . 1 1 66 66 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 4217 1 582 . 1 1 66 66 ARG HD3 H 1 3.10 . . 1 . . . . . . . . 4217 1 583 . 1 1 66 66 ARG CA C 13 52.97 . . 1 . . . . . . . . 4217 1 584 . 1 1 66 66 ARG CB C 13 30.89 . . 1 . . . . . . . . 4217 1 585 . 1 1 66 66 ARG N N 15 118.95 . . 1 . . . . . . . . 4217 1 586 . 1 1 67 67 PHE H H 1 8.16 . . 1 . . . . . . . . 4217 1 587 . 1 1 67 67 PHE HA H 1 4.40 . . 1 . . . . . . . . 4217 1 588 . 1 1 67 67 PHE HB2 H 1 2.82 . . 1 . . . . . . . . 4217 1 589 . 1 1 67 67 PHE HB3 H 1 2.96 . . 1 . . . . . . . . 4217 1 590 . 1 1 67 67 PHE HD1 H 1 7.21 . . 1 . . . . . . . . 4217 1 591 . 1 1 67 67 PHE HD2 H 1 7.21 . . 1 . . . . . . . . 4217 1 592 . 1 1 67 67 PHE HE1 H 1 7.33 . . 1 . . . . . . . . 4217 1 593 . 1 1 67 67 PHE HE2 H 1 7.33 . . 1 . . . . . . . . 4217 1 594 . 1 1 67 67 PHE HZ H 1 7.28 . . 1 . . . . . . . . 4217 1 595 . 1 1 67 67 PHE CA C 13 53.21 . . 1 . . . . . . . . 4217 1 596 . 1 1 67 67 PHE CB C 13 39.10 . . 1 . . . . . . . . 4217 1 597 . 1 1 67 67 PHE N N 15 123.48 . . 1 . . . . . . . . 4217 1 598 . 1 1 68 68 PRO HA H 1 4.55 . . 1 . . . . . . . . 4217 1 599 . 1 1 68 68 PRO HB2 H 1 2.36 . . 1 . . . . . . . . 4217 1 600 . 1 1 68 68 PRO HB3 H 1 2.06 . . 1 . . . . . . . . 4217 1 601 . 1 1 68 68 PRO HG2 H 1 1.98 . . 1 . . . . . . . . 4217 1 602 . 1 1 68 68 PRO HG3 H 1 1.98 . . 1 . . . . . . . . 4217 1 603 . 1 1 68 68 PRO HD2 H 1 3.88 . . 1 . . . . . . . . 4217 1 604 . 1 1 68 68 PRO HD3 H 1 3.74 . . 1 . . . . . . . . 4217 1 605 . 1 1 68 68 PRO CA C 13 50.12 . . 1 . . . . . . . . 4217 1 606 . 1 1 68 68 PRO CB C 13 31.64 . . 1 . . . . . . . . 4217 1 607 . 1 1 69 69 CYS H H 1 8.52 . . 1 . . . . . . . . 4217 1 608 . 1 1 69 69 CYS HA H 1 4.76 . . 1 . . . . . . . . 4217 1 609 . 1 1 69 69 CYS HB2 H 1 3.02 . . 1 . . . . . . . . 4217 1 610 . 1 1 69 69 CYS HB3 H 1 2.77 . . 1 . . . . . . . . 4217 1 611 . 1 1 69 69 CYS CA C 13 49.97 . . 1 . . . . . . . . 4217 1 612 . 1 1 69 69 CYS CB C 13 35.39 . . 1 . . . . . . . . 4217 1 613 . 1 1 69 69 CYS N N 15 126.37 . . 1 . . . . . . . . 4217 1 614 . 1 1 70 70 TYR H H 1 7.25 . . 1 . . . . . . . . 4217 1 615 . 1 1 70 70 TYR HA H 1 4.44 . . 1 . . . . . . . . 4217 1 616 . 1 1 70 70 TYR HB2 H 1 1.93 . . 1 . . . . . . . . 4217 1 617 . 1 1 70 70 TYR HB3 H 1 2.27 . . 1 . . . . . . . . 4217 1 618 . 1 1 70 70 TYR HD1 H 1 6.98 . . 1 . . . . . . . . 4217 1 619 . 1 1 70 70 TYR HD2 H 1 6.98 . . 1 . . . . . . . . 4217 1 620 . 1 1 70 70 TYR HE1 H 1 6.89 . . 1 . . . . . . . . 4217 1 621 . 1 1 70 70 TYR HE2 H 1 6.89 . . 1 . . . . . . . . 4217 1 622 . 1 1 70 70 TYR CA C 13 57.99 . . 1 . . . . . . . . 4217 1 623 . 1 1 70 70 TYR CB C 13 36.88 . . 1 . . . . . . . . 4217 1 624 . 1 1 70 70 TYR N N 15 124.76 . . 1 . . . . . . . . 4217 1 625 . 1 1 71 71 GLN H H 1 8.16 . . 1 . . . . . . . . 4217 1 626 . 1 1 71 71 GLN HA H 1 4.57 . . 1 . . . . . . . . 4217 1 627 . 1 1 71 71 GLN HB2 H 1 2.75 . . 1 . . . . . . . . 4217 1 628 . 1 1 71 71 GLN HB3 H 1 2.14 . . 1 . . . . . . . . 4217 1 629 . 1 1 71 71 GLN HG2 H 1 2.65 . . 1 . . . . . . . . 4217 1 630 . 1 1 71 71 GLN HG3 H 1 2.42 . . 1 . . . . . . . . 4217 1 631 . 1 1 71 71 GLN HE22 H 1 7.22 . . 1 . . . . . . . . 4217 1 632 . 1 1 71 71 GLN HE21 H 1 6.88 . . 1 . . . . . . . . 4217 1 633 . 1 1 71 71 GLN CA C 13 52.04 . . 1 . . . . . . . . 4217 1 634 . 1 1 71 71 GLN CB C 13 25.39 . . 1 . . . . . . . . 4217 1 635 . 1 1 71 71 GLN N N 15 124.00 . . 1 . . . . . . . . 4217 1 636 . 1 1 71 71 GLN NE2 N 15 118.31 . . 1 . . . . . . . . 4217 1 637 . 1 1 72 72 TYR H H 1 6.99 . . 1 . . . . . . . . 4217 1 638 . 1 1 72 72 TYR HA H 1 4.87 . . 1 . . . . . . . . 4217 1 639 . 1 1 72 72 TYR HB2 H 1 2.91 . . 1 . . . . . . . . 4217 1 640 . 1 1 72 72 TYR HB3 H 1 2.38 . . 1 . . . . . . . . 4217 1 641 . 1 1 72 72 TYR HD1 H 1 6.36 . . 1 . . . . . . . . 4217 1 642 . 1 1 72 72 TYR HD2 H 1 6.36 . . 1 . . . . . . . . 4217 1 643 . 1 1 72 72 TYR HE1 H 1 6.16 . . 1 . . . . . . . . 4217 1 644 . 1 1 72 72 TYR HE2 H 1 6.16 . . 1 . . . . . . . . 4217 1 645 . 1 1 72 72 TYR CA C 13 54.00 . . 1 . . . . . . . . 4217 1 646 . 1 1 72 72 TYR CB C 13 36.80 . . 1 . . . . . . . . 4217 1 647 . 1 1 72 72 TYR N N 15 117.06 . . 1 . . . . . . . . 4217 1 648 . 1 1 73 73 ALA H H 1 8.56 . . 1 . . . . . . . . 4217 1 649 . 1 1 73 73 ALA HA H 1 4.25 . . 1 . . . . . . . . 4217 1 650 . 1 1 73 73 ALA HB1 H 1 1.20 . . 1 . . . . . . . . 4217 1 651 . 1 1 73 73 ALA HB2 H 1 1.20 . . 1 . . . . . . . . 4217 1 652 . 1 1 73 73 ALA HB3 H 1 1.20 . . 1 . . . . . . . . 4217 1 653 . 1 1 73 73 ALA CA C 13 48.83 . . 1 . . . . . . . . 4217 1 654 . 1 1 73 73 ALA CB C 13 17.85 . . 1 . . . . . . . . 4217 1 655 . 1 1 73 73 ALA N N 15 126.86 . . 1 . . . . . . . . 4217 1 656 . 1 1 74 74 THR H H 1 8.11 . . 1 . . . . . . . . 4217 1 657 . 1 1 74 74 THR HA H 1 3.89 . . 1 . . . . . . . . 4217 1 658 . 1 1 74 74 THR HB H 1 3.84 . . 1 . . . . . . . . 4217 1 659 . 1 1 74 74 THR HG21 H 1 0.86 . . 1 . . . . . . . . 4217 1 660 . 1 1 74 74 THR HG22 H 1 0.86 . . 1 . . . . . . . . 4217 1 661 . 1 1 74 74 THR HG23 H 1 0.86 . . 1 . . . . . . . . 4217 1 662 . 1 1 74 74 THR CA C 13 62.35 . . 1 . . . . . . . . 4217 1 663 . 1 1 74 74 THR CB C 13 67.23 . . 1 . . . . . . . . 4217 1 664 . 1 1 74 74 THR N N 15 118.76 . . 1 . . . . . . . . 4217 1 665 . 1 1 75 75 VAL H H 1 9.59 . . 1 . . . . . . . . 4217 1 666 . 1 1 75 75 VAL HA H 1 3.99 . . 1 . . . . . . . . 4217 1 667 . 1 1 75 75 VAL HB H 1 1.89 . . 1 . . . . . . . . 4217 1 668 . 1 1 75 75 VAL HG11 H 1 0.96 . . 1 . . . . . . . . 4217 1 669 . 1 1 75 75 VAL HG12 H 1 0.96 . . 1 . . . . . . . . 4217 1 670 . 1 1 75 75 VAL HG13 H 1 0.96 . . 1 . . . . . . . . 4217 1 671 . 1 1 75 75 VAL HG21 H 1 0.91 . . 1 . . . . . . . . 4217 1 672 . 1 1 75 75 VAL HG22 H 1 0.91 . . 1 . . . . . . . . 4217 1 673 . 1 1 75 75 VAL HG23 H 1 0.91 . . 1 . . . . . . . . 4217 1 674 . 1 1 75 75 VAL CA C 13 61.00 . . 1 . . . . . . . . 4217 1 675 . 1 1 75 75 VAL CB C 13 30.76 . . 1 . . . . . . . . 4217 1 676 . 1 1 75 75 VAL N N 15 130.09 . . 1 . . . . . . . . 4217 1 677 . 1 1 76 76 GLY H H 1 6.76 . . 1 . . . . . . . . 4217 1 678 . 1 1 76 76 GLY HA2 H 1 3.64 . . 1 . . . . . . . . 4217 1 679 . 1 1 76 76 GLY HA3 H 1 4.01 . . 1 . . . . . . . . 4217 1 680 . 1 1 76 76 GLY CA C 13 43.03 . . 1 . . . . . . . . 4217 1 681 . 1 1 76 76 GLY N N 15 107.93 . . 1 . . . . . . . . 4217 1 682 . 1 1 77 77 LYS H H 1 8.06 . . 1 . . . . . . . . 4217 1 683 . 1 1 77 77 LYS HA H 1 5.55 . . 1 . . . . . . . . 4217 1 684 . 1 1 77 77 LYS HB2 H 1 1.55 . . 1 . . . . . . . . 4217 1 685 . 1 1 77 77 LYS HB3 H 1 1.49 . . 1 . . . . . . . . 4217 1 686 . 1 1 77 77 LYS HG2 H 1 1.07 . . 1 . . . . . . . . 4217 1 687 . 1 1 77 77 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 4217 1 688 . 1 1 77 77 LYS CA C 13 52.99 . . 1 . . . . . . . . 4217 1 689 . 1 1 77 77 LYS CB C 13 35.73 . . 1 . . . . . . . . 4217 1 690 . 1 1 77 77 LYS N N 15 116.77 . . 1 . . . . . . . . 4217 1 691 . 1 1 78 78 VAL H H 1 9.37 . . 1 . . . . . . . . 4217 1 692 . 1 1 78 78 VAL HA H 1 4.41 . . 1 . . . . . . . . 4217 1 693 . 1 1 78 78 VAL HB H 1 1.99 . . 1 . . . . . . . . 4217 1 694 . 1 1 78 78 VAL HG11 H 1 0.99 . . 1 . . . . . . . . 4217 1 695 . 1 1 78 78 VAL HG12 H 1 0.99 . . 1 . . . . . . . . 4217 1 696 . 1 1 78 78 VAL HG13 H 1 0.99 . . 1 . . . . . . . . 4217 1 697 . 1 1 78 78 VAL HG21 H 1 0.94 . . 1 . . . . . . . . 4217 1 698 . 1 1 78 78 VAL HG22 H 1 0.94 . . 1 . . . . . . . . 4217 1 699 . 1 1 78 78 VAL HG23 H 1 0.94 . . 1 . . . . . . . . 4217 1 700 . 1 1 78 78 VAL CA C 13 59.67 . . 1 . . . . . . . . 4217 1 701 . 1 1 78 78 VAL CB C 13 33.40 . . 1 . . . . . . . . 4217 1 702 . 1 1 78 78 VAL N N 15 122.86 . . 1 . . . . . . . . 4217 1 703 . 1 1 79 79 ALA H H 1 8.84 . . 1 . . . . . . . . 4217 1 704 . 1 1 79 79 ALA HA H 1 4.56 . . 1 . . . . . . . . 4217 1 705 . 1 1 79 79 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 4217 1 706 . 1 1 79 79 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 4217 1 707 . 1 1 79 79 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 4217 1 708 . 1 1 79 79 ALA CA C 13 50.11 . . 1 . . . . . . . . 4217 1 709 . 1 1 79 79 ALA CB C 13 15.69 . . 1 . . . . . . . . 4217 1 710 . 1 1 79 79 ALA N N 15 133.77 . . 1 . . . . . . . . 4217 1 711 . 1 1 80 80 PRO HA H 1 4.09 . . 1 . . . . . . . . 4217 1 712 . 1 1 80 80 PRO HB2 H 1 2.26 . . 1 . . . . . . . . 4217 1 713 . 1 1 80 80 PRO HB3 H 1 1.78 . . 1 . . . . . . . . 4217 1 714 . 1 1 80 80 PRO CA C 13 63.25 . . 1 . . . . . . . . 4217 1 715 . 1 1 80 80 PRO CB C 13 30.16 . . 1 . . . . . . . . 4217 1 716 . 1 1 81 81 GLY H H 1 8.31 . . 1 . . . . . . . . 4217 1 717 . 1 1 81 81 GLY HA2 H 1 3.81 . . 1 . . . . . . . . 4217 1 718 . 1 1 81 81 GLY HA3 H 1 4.17 . . 1 . . . . . . . . 4217 1 719 . 1 1 81 81 GLY CA C 13 44.66 . . 1 . . . . . . . . 4217 1 720 . 1 1 81 81 GLY N N 15 116.10 . . 1 . . . . . . . . 4217 1 721 . 1 1 82 82 ALA H H 1 8.04 . . 1 . . . . . . . . 4217 1 722 . 1 1 82 82 ALA HA H 1 4.65 . . 1 . . . . . . . . 4217 1 723 . 1 1 82 82 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 4217 1 724 . 1 1 82 82 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 4217 1 725 . 1 1 82 82 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 4217 1 726 . 1 1 82 82 ALA CA C 13 49.48 . . 1 . . . . . . . . 4217 1 727 . 1 1 82 82 ALA CB C 13 19.57 . . 1 . . . . . . . . 4217 1 728 . 1 1 82 82 ALA N N 15 124.25 . . 1 . . . . . . . . 4217 1 729 . 1 1 83 83 GLN H H 1 8.11 . . 1 . . . . . . . . 4217 1 730 . 1 1 83 83 GLN HA H 1 4.83 . . 1 . . . . . . . . 4217 1 731 . 1 1 83 83 GLN HB2 H 1 1.95 . . 1 . . . . . . . . 4217 1 732 . 1 1 83 83 GLN HB3 H 1 1.91 . . 1 . . . . . . . . 4217 1 733 . 1 1 83 83 GLN HG2 H 1 2.22 . . 1 . . . . . . . . 4217 1 734 . 1 1 83 83 GLN HG3 H 1 2.08 . . 1 . . . . . . . . 4217 1 735 . 1 1 83 83 GLN HE22 H 1 7.37 . . 1 . . . . . . . . 4217 1 736 . 1 1 83 83 GLN HE21 H 1 6.56 . . 1 . . . . . . . . 4217 1 737 . 1 1 83 83 GLN CA C 13 52.33 . . 1 . . . . . . . . 4217 1 738 . 1 1 83 83 GLN CB C 13 30.47 . . 1 . . . . . . . . 4217 1 739 . 1 1 83 83 GLN N N 15 115.33 . . 1 . . . . . . . . 4217 1 740 . 1 1 83 83 GLN NE2 N 15 112.23 . . 1 . . . . . . . . 4217 1 741 . 1 1 84 84 LEU H H 1 8.57 . . 1 . . . . . . . . 4217 1 742 . 1 1 84 84 LEU HA H 1 4.50 . . 1 . . . . . . . . 4217 1 743 . 1 1 84 84 LEU HB2 H 1 0.25 . . 1 . . . . . . . . 4217 1 744 . 1 1 84 84 LEU HB3 H 1 0.54 . . 1 . . . . . . . . 4217 1 745 . 1 1 84 84 LEU HG H 1 0.88 . . 1 . . . . . . . . 4217 1 746 . 1 1 84 84 LEU HD11 H 1 0.04 . . 2 . . . . . . . . 4217 1 747 . 1 1 84 84 LEU HD12 H 1 0.04 . . 2 . . . . . . . . 4217 1 748 . 1 1 84 84 LEU HD13 H 1 0.04 . . 2 . . . . . . . . 4217 1 749 . 1 1 84 84 LEU CA C 13 51.99 . . 1 . . . . . . . . 4217 1 750 . 1 1 84 84 LEU CB C 13 41.08 . . 1 . . . . . . . . 4217 1 751 . 1 1 84 84 LEU N N 15 124.79 . . 1 . . . . . . . . 4217 1 752 . 1 1 85 85 ARG H H 1 8.66 . . 1 . . . . . . . . 4217 1 753 . 1 1 85 85 ARG HA H 1 3.69 . . 1 . . . . . . . . 4217 1 754 . 1 1 85 85 ARG HB2 H 1 1.75 . . 1 . . . . . . . . 4217 1 755 . 1 1 85 85 ARG HB3 H 1 1.87 . . 1 . . . . . . . . 4217 1 756 . 1 1 85 85 ARG HG2 H 1 1.34 . . 1 . . . . . . . . 4217 1 757 . 1 1 85 85 ARG HG3 H 1 1.63 . . 1 . . . . . . . . 4217 1 758 . 1 1 85 85 ARG HD2 H 1 3.12 . . 1 . . . . . . . . 4217 1 759 . 1 1 85 85 ARG HD3 H 1 3.21 . . 1 . . . . . . . . 4217 1 760 . 1 1 85 85 ARG CA C 13 58.43 . . 1 . . . . . . . . 4217 1 761 . 1 1 85 85 ARG CB C 13 29.15 . . 1 . . . . . . . . 4217 1 762 . 1 1 85 85 ARG N N 15 125.37 . . 1 . . . . . . . . 4217 1 763 . 1 1 86 86 SER H H 1 7.24 . . 1 . . . . . . . . 4217 1 764 . 1 1 86 86 SER HA H 1 4.85 . . 1 . . . . . . . . 4217 1 765 . 1 1 86 86 SER HB2 H 1 3.71 . . 1 . . . . . . . . 4217 1 766 . 1 1 86 86 SER HB3 H 1 3.71 . . 1 . . . . . . . . 4217 1 767 . 1 1 86 86 SER CA C 13 55.54 . . 1 . . . . . . . . 4217 1 768 . 1 1 86 86 SER CB C 13 62.49 . . 1 . . . . . . . . 4217 1 769 . 1 1 86 86 SER N N 15 111.20 . . 1 . . . . . . . . 4217 1 770 . 1 1 87 87 LEU H H 1 8.19 . . 1 . . . . . . . . 4217 1 771 . 1 1 87 87 LEU HA H 1 4.38 . . 1 . . . . . . . . 4217 1 772 . 1 1 87 87 LEU HB2 H 1 1.48 . . 1 . . . . . . . . 4217 1 773 . 1 1 87 87 LEU HB3 H 1 1.48 . . 1 . . . . . . . . 4217 1 774 . 1 1 87 87 LEU HG H 1 1.27 . . 1 . . . . . . . . 4217 1 775 . 1 1 87 87 LEU HD11 H 1 0.66 . . 1 . . . . . . . . 4217 1 776 . 1 1 87 87 LEU HD12 H 1 0.66 . . 1 . . . . . . . . 4217 1 777 . 1 1 87 87 LEU HD13 H 1 0.66 . . 1 . . . . . . . . 4217 1 778 . 1 1 87 87 LEU HD21 H 1 0.60 . . 1 . . . . . . . . 4217 1 779 . 1 1 87 87 LEU HD22 H 1 0.60 . . 1 . . . . . . . . 4217 1 780 . 1 1 87 87 LEU HD23 H 1 0.60 . . 1 . . . . . . . . 4217 1 781 . 1 1 87 87 LEU CA C 13 51.06 . . 1 . . . . . . . . 4217 1 782 . 1 1 87 87 LEU CB C 13 40.63 . . 1 . . . . . . . . 4217 1 783 . 1 1 87 87 LEU N N 15 126.78 . . 1 . . . . . . . . 4217 1 784 . 1 1 88 88 PRO HA H 1 4.79 . . 1 . . . . . . . . 4217 1 785 . 1 1 88 88 PRO HB2 H 1 2.13 . . 1 . . . . . . . . 4217 1 786 . 1 1 88 88 PRO HB3 H 1 2.32 . . 1 . . . . . . . . 4217 1 787 . 1 1 88 88 PRO HG2 H 1 1.94 . . 1 . . . . . . . . 4217 1 788 . 1 1 88 88 PRO HG3 H 1 1.94 . . 1 . . . . . . . . 4217 1 789 . 1 1 88 88 PRO CA C 13 62.01 . . 1 . . . . . . . . 4217 1 790 . 1 1 88 88 PRO CB C 13 30.48 . . 1 . . . . . . . . 4217 1 791 . 1 1 89 89 SER H H 1 7.99 . . 1 . . . . . . . . 4217 1 792 . 1 1 89 89 SER HA H 1 4.53 . . 1 . . . . . . . . 4217 1 793 . 1 1 89 89 SER HB2 H 1 3.74 . . 1 . . . . . . . . 4217 1 794 . 1 1 89 89 SER HB3 H 1 3.81 . . 1 . . . . . . . . 4217 1 795 . 1 1 89 89 SER CA C 13 54.51 . . 1 . . . . . . . . 4217 1 796 . 1 1 89 89 SER CB C 13 61.48 . . 1 . . . . . . . . 4217 1 797 . 1 1 89 89 SER N N 15 113.99 . . 1 . . . . . . . . 4217 1 798 . 1 1 90 90 PRO HA H 1 4.37 . . 1 . . . . . . . . 4217 1 799 . 1 1 90 90 PRO HB2 H 1 1.93 . . 1 . . . . . . . . 4217 1 800 . 1 1 90 90 PRO HB3 H 1 2.22 . . 1 . . . . . . . . 4217 1 801 . 1 1 90 90 PRO HG2 H 1 2.02 . . 1 . . . . . . . . 4217 1 802 . 1 1 90 90 PRO HG3 H 1 2.02 . . 1 . . . . . . . . 4217 1 803 . 1 1 90 90 PRO HD2 H 1 3.67 . . 1 . . . . . . . . 4217 1 804 . 1 1 90 90 PRO HD3 H 1 3.64 . . 1 . . . . . . . . 4217 1 805 . 1 1 90 90 PRO CA C 13 62.20 . . 1 . . . . . . . . 4217 1 806 . 1 1 90 90 PRO CB C 13 30.24 . . 1 . . . . . . . . 4217 1 807 . 1 1 91 91 GLY H H 1 8.62 . . 1 . . . . . . . . 4217 1 808 . 1 1 91 91 GLY HA2 H 1 3.69 . . 1 . . . . . . . . 4217 1 809 . 1 1 91 91 GLY HA3 H 1 4.14 . . 1 . . . . . . . . 4217 1 810 . 1 1 91 91 GLY CA C 13 44.71 . . 1 . . . . . . . . 4217 1 811 . 1 1 91 91 GLY N N 15 112.94 . . 1 . . . . . . . . 4217 1 812 . 1 1 92 92 ALA H H 1 7.95 . . 1 . . . . . . . . 4217 1 813 . 1 1 92 92 ALA HA H 1 4.53 . . 1 . . . . . . . . 4217 1 814 . 1 1 92 92 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4217 1 815 . 1 1 92 92 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4217 1 816 . 1 1 92 92 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4217 1 817 . 1 1 92 92 ALA CA C 13 50.18 . . 1 . . . . . . . . 4217 1 818 . 1 1 92 92 ALA CB C 13 18.42 . . 1 . . . . . . . . 4217 1 819 . 1 1 92 92 ALA N N 15 123.92 . . 1 . . . . . . . . 4217 1 820 . 1 1 93 93 THR H H 1 8.16 . . 1 . . . . . . . . 4217 1 821 . 1 1 93 93 THR HA H 1 4.30 . . 1 . . . . . . . . 4217 1 822 . 1 1 93 93 THR HB H 1 4.14 . . 1 . . . . . . . . 4217 1 823 . 1 1 93 93 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4217 1 824 . 1 1 93 93 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4217 1 825 . 1 1 93 93 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4217 1 826 . 1 1 93 93 THR CA C 13 60.86 . . 1 . . . . . . . . 4217 1 827 . 1 1 93 93 THR CB C 13 67.91 . . 1 . . . . . . . . 4217 1 828 . 1 1 93 93 THR N N 15 115.10 . . 1 . . . . . . . . 4217 1 829 . 1 1 94 94 VAL H H 1 8.67 . . 1 . . . . . . . . 4217 1 830 . 1 1 94 94 VAL HA H 1 3.89 . . 1 . . . . . . . . 4217 1 831 . 1 1 94 94 VAL HB H 1 1.98 . . 1 . . . . . . . . 4217 1 832 . 1 1 94 94 VAL HG11 H 1 0.91 . . 1 . . . . . . . . 4217 1 833 . 1 1 94 94 VAL HG12 H 1 0.91 . . 1 . . . . . . . . 4217 1 834 . 1 1 94 94 VAL HG13 H 1 0.91 . . 1 . . . . . . . . 4217 1 835 . 1 1 94 94 VAL HG21 H 1 0.85 . . 1 . . . . . . . . 4217 1 836 . 1 1 94 94 VAL HG22 H 1 0.85 . . 1 . . . . . . . . 4217 1 837 . 1 1 94 94 VAL HG23 H 1 0.85 . . 1 . . . . . . . . 4217 1 838 . 1 1 94 94 VAL CA C 13 61.28 . . 1 . . . . . . . . 4217 1 839 . 1 1 94 94 VAL CB C 13 31.84 . . 1 . . . . . . . . 4217 1 840 . 1 1 94 94 VAL N N 15 129.13 . . 1 . . . . . . . . 4217 1 841 . 1 1 95 95 THR H H 1 8.70 . . 1 . . . . . . . . 4217 1 842 . 1 1 95 95 THR HA H 1 4.71 . . 1 . . . . . . . . 4217 1 843 . 1 1 95 95 THR HB H 1 3.60 . . 1 . . . . . . . . 4217 1 844 . 1 1 95 95 THR HG21 H 1 0.56 . . 1 . . . . . . . . 4217 1 845 . 1 1 95 95 THR HG22 H 1 0.56 . . 1 . . . . . . . . 4217 1 846 . 1 1 95 95 THR HG23 H 1 0.56 . . 1 . . . . . . . . 4217 1 847 . 1 1 95 95 THR CA C 13 60.25 . . 1 . . . . . . . . 4217 1 848 . 1 1 95 95 THR CB C 13 68.90 . . 1 . . . . . . . . 4217 1 849 . 1 1 95 95 THR N N 15 126.57 . . 1 . . . . . . . . 4217 1 850 . 1 1 96 96 VAL H H 1 8.54 . . 1 . . . . . . . . 4217 1 851 . 1 1 96 96 VAL HA H 1 5.01 . . 1 . . . . . . . . 4217 1 852 . 1 1 96 96 VAL HB H 1 1.47 . . 1 . . . . . . . . 4217 1 853 . 1 1 96 96 VAL HG11 H 1 0.53 . . 1 . . . . . . . . 4217 1 854 . 1 1 96 96 VAL HG12 H 1 0.53 . . 1 . . . . . . . . 4217 1 855 . 1 1 96 96 VAL HG13 H 1 0.53 . . 1 . . . . . . . . 4217 1 856 . 1 1 96 96 VAL HG21 H 1 0.49 . . 1 . . . . . . . . 4217 1 857 . 1 1 96 96 VAL HG22 H 1 0.49 . . 1 . . . . . . . . 4217 1 858 . 1 1 96 96 VAL HG23 H 1 0.49 . . 1 . . . . . . . . 4217 1 859 . 1 1 96 96 VAL CA C 13 56.86 . . 1 . . . . . . . . 4217 1 860 . 1 1 96 96 VAL CB C 13 33.36 . . 1 . . . . . . . . 4217 1 861 . 1 1 96 96 VAL N N 15 122.36 . . 1 . . . . . . . . 4217 1 862 . 1 1 97 97 GLY H H 1 8.61 . . 1 . . . . . . . . 4217 1 863 . 1 1 97 97 GLY HA2 H 1 3.79 . . 1 . . . . . . . . 4217 1 864 . 1 1 97 97 GLY HA3 H 1 4.67 . . 1 . . . . . . . . 4217 1 865 . 1 1 97 97 GLY CA C 13 42.90 . . 1 . . . . . . . . 4217 1 866 . 1 1 97 97 GLY N N 15 110.70 . . 1 . . . . . . . . 4217 1 867 . 1 1 98 98 GLN H H 1 9.16 . . 1 . . . . . . . . 4217 1 868 . 1 1 98 98 GLN HA H 1 3.94 . . 1 . . . . . . . . 4217 1 869 . 1 1 98 98 GLN HB2 H 1 1.59 . . 1 . . . . . . . . 4217 1 870 . 1 1 98 98 GLN HB3 H 1 1.32 . . 1 . . . . . . . . 4217 1 871 . 1 1 98 98 GLN HG2 H 1 1.76 . . 1 . . . . . . . . 4217 1 872 . 1 1 98 98 GLN HG3 H 1 1.76 . . 1 . . . . . . . . 4217 1 873 . 1 1 98 98 GLN HE22 H 1 6.29 . . 1 . . . . . . . . 4217 1 874 . 1 1 98 98 GLN HE21 H 1 5.95 . . 1 . . . . . . . . 4217 1 875 . 1 1 98 98 GLN CA C 13 54.99 . . 1 . . . . . . . . 4217 1 876 . 1 1 98 98 GLN CB C 13 27.90 . . 1 . . . . . . . . 4217 1 877 . 1 1 98 98 GLN N N 15 122.13 . . 1 . . . . . . . . 4217 1 878 . 1 1 98 98 GLN NE2 N 15 108.77 . . 1 . . . . . . . . 4217 1 879 . 1 1 99 99 ASP H H 1 8.50 . . 1 . . . . . . . . 4217 1 880 . 1 1 99 99 ASP HA H 1 4.32 . . 1 . . . . . . . . 4217 1 881 . 1 1 99 99 ASP HB2 H 1 2.84 . . 1 . . . . . . . . 4217 1 882 . 1 1 99 99 ASP HB3 H 1 2.12 . . 1 . . . . . . . . 4217 1 883 . 1 1 99 99 ASP CA C 13 53.98 . . 1 . . . . . . . . 4217 1 884 . 1 1 99 99 ASP CB C 13 39.43 . . 1 . . . . . . . . 4217 1 885 . 1 1 99 99 ASP N N 15 123.77 . . 1 . . . . . . . . 4217 1 886 . 1 1 100 100 LEU H H 1 8.32 . . 1 . . . . . . . . 4217 1 887 . 1 1 100 100 LEU HA H 1 4.55 . . 1 . . . . . . . . 4217 1 888 . 1 1 100 100 LEU HB2 H 1 1.74 . . 1 . . . . . . . . 4217 1 889 . 1 1 100 100 LEU HB3 H 1 1.39 . . 1 . . . . . . . . 4217 1 890 . 1 1 100 100 LEU HG H 1 1.50 . . 1 . . . . . . . . 4217 1 891 . 1 1 100 100 LEU HD11 H 1 0.77 . . 1 . . . . . . . . 4217 1 892 . 1 1 100 100 LEU HD12 H 1 0.77 . . 1 . . . . . . . . 4217 1 893 . 1 1 100 100 LEU HD13 H 1 0.77 . . 1 . . . . . . . . 4217 1 894 . 1 1 100 100 LEU HD21 H 1 0.82 . . 1 . . . . . . . . 4217 1 895 . 1 1 100 100 LEU HD22 H 1 0.82 . . 1 . . . . . . . . 4217 1 896 . 1 1 100 100 LEU HD23 H 1 0.82 . . 1 . . . . . . . . 4217 1 897 . 1 1 100 100 LEU CA C 13 52.60 . . 1 . . . . . . . . 4217 1 898 . 1 1 100 100 LEU CB C 13 40.74 . . 1 . . . . . . . . 4217 1 899 . 1 1 100 100 LEU N N 15 133.26 . . 1 . . . . . . . . 4217 1 900 . 1 1 101 101 GLY H H 1 8.06 . . 1 . . . . . . . . 4217 1 901 . 1 1 101 101 GLY HA2 H 1 3.75 . . 1 . . . . . . . . 4217 1 902 . 1 1 101 101 GLY HA3 H 1 4.43 . . 1 . . . . . . . . 4217 1 903 . 1 1 101 101 GLY CA C 13 42.20 . . 1 . . . . . . . . 4217 1 904 . 1 1 101 101 GLY N N 15 110.06 . . 1 . . . . . . . . 4217 1 905 . 1 1 102 102 ASP H H 1 8.09 . . 1 . . . . . . . . 4217 1 906 . 1 1 102 102 ASP HA H 1 4.70 . . 1 . . . . . . . . 4217 1 907 . 1 1 102 102 ASP HB2 H 1 2.37 . . 1 . . . . . . . . 4217 1 908 . 1 1 102 102 ASP HB3 H 1 2.76 . . 1 . . . . . . . . 4217 1 909 . 1 1 102 102 ASP CA C 13 54.41 . . 1 . . . . . . . . 4217 1 910 . 1 1 102 102 ASP CB C 13 41.49 . . 1 . . . . . . . . 4217 1 911 . 1 1 102 102 ASP N N 15 124.94 . . 1 . . . . . . . . 4217 1 stop_ save_