data_6600 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6600 _Entry.Title ; Solution Structure of Bacillus subtilis s-BCCP apo-form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-14 _Entry.Accession_date 2005-04-28 _Entry.Last_release_date 2007-01-26 _Entry.Original_release_date 2007-01-26 _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 Gaofeng Cui . . . 6600 2 Bin Xia . . . 6600 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6600 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 6600 '15N chemical shifts' 78 6600 '1H chemical shifts' 532 6600 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 . . 2007-01-26 2005-04-14 original author . 6600 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6599 'complex form with BTI' 6600 PDB 1Z7T 'BMRB Entry Tracking System' 6600 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6600 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16699181 _Citation.Full_citation . _Citation.Title ; Identification and solution structures of a single-domain biotin/lipoyl attachment protein from bacillus subtilis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 29 _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 20598 _Citation.Page_last 20607 _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 Gaofeng Cui . . . 6600 1 2 Beiyan Nan . . . 6600 1 3 Jicheng Hu . . . 6600 1 4 Yiping Wang . . . 6600 1 5 Changwen Jin . . . 6600 1 6 Bin Xia . . . 6600 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bacillus subtilis' 6600 1 'single-domain Biotin Carboxyl Carrier Protein' 6600 1 'solution structure' 6600 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BCCP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BCCP _Assembly.Entry_ID 6600 _Assembly.ID 1 _Assembly.Name 'Biotin Carboxyl Carrier Protein' _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 'not present' _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 6600 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 'Biotin Carboxyl Carrier Protein' 1 $s-BCCP . . . native . . . . . 6600 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1Z7T . . . . . . 6600 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID BCCP abbreviation 6600 1 'Biotin Carboxyl Carrier Protein' system 6600 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_s-BCCP _Entity.Sf_category entity _Entity.Sf_framecode s-BCCP _Entity.Entry_ID 6600 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Biotin Carboxyl Carrier Protein' _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 ; TVSIQMAGNLWKVHVKAGDQ IEKGQEVAILESMKMEIPIV ADRSGIVKEVKKKEGDFVNE GDVLLELSNSTQ ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 BMRB 6599 . s-BCCP . . . . . 100.00 72 100.00 100.00 4.74e-42 . . . . 6600 1 2 no PDB 1Z6H . "Solution Structure Of Bacillus Subtilis Blap Biotinylated- Form" . . . . . 100.00 72 100.00 100.00 4.74e-42 . . . . 6600 1 3 no PDB 1Z7T . "Solution Structure Of Bacillus Subtilis Blap Apo-Form" . . . . . 100.00 72 100.00 100.00 4.74e-42 . . . . 6600 1 4 no PDB 2B8F . "Solution Structure Of Bacillus Subtilis Blap Apo Form (Energy Minimized Mean Structure)" . . . . . 100.00 72 100.00 100.00 4.74e-42 . . . . 6600 1 5 no PDB 2B8G . "Solution Structure Of Bacillus Subtilis Blap Biotinylated- Form (Energy Minimized Mean Structure)" . . . . . 100.00 72 100.00 100.00 4.74e-42 . . . . 6600 1 6 no DBJ BAI85513 . "acetyl-CoA carboxylase biotin carboxyl carrier protein subunit [Bacillus subtilis subsp. natto BEST195]" . . . . . 93.06 67 98.51 98.51 9.92e-38 . . . . 6600 1 7 no DBJ BAM52478 . "acetyl-CoA carboxylase biotin carboxyl carrierprotein subunit [Bacillus subtilis BEST7613]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 8 no DBJ BAM58054 . "acetyl-CoA carboxylase biotin carboxyl carrierprotein subunit [Bacillus subtilis BEST7003]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 9 no DBJ GAK81515 . "acyl-CoA carboxylase; biotinylated subunit [Bacillus subtilis Miyagi-4]" . . . . . 100.00 73 98.61 98.61 2.52e-41 . . . . 6600 1 10 no EMBL CAX52627 . "acyl-CoA carboxylase; biotinylated subunit [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 11 no EMBL CEI57017 . "biotin/lipoyl attachment protein [Bacillus subtilis]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 12 no EMBL CEJ77441 . "biotin/lipoyl attachment protein [Bacillus sp.]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 13 no GB ADV92730 . "acetyl-CoA carboxylase biotin carboxyl carrier protein subunit [Bacillus subtilis BSn5]" . . . . . 100.00 73 98.61 98.61 2.52e-41 . . . . 6600 1 14 no GB AEP91001 . "putative glutaconyl-CoA decarboxylase activity YngXX [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 73 97.22 98.61 1.60e-40 . . . . 6600 1 15 no GB AFQ57759 . "Acyl-CoA carboxylase [Bacillus subtilis QB928]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 16 no GB AGE63668 . "propionyl-CoA carboxylase alpha chain [Bacillus subtilis XF-1]" . . . . . 93.06 67 97.01 98.51 5.46e-37 . . . . 6600 1 17 no GB AGG61199 . "acyl-CoA carboxylase,biotinylated subunit YngHB [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 18 no REF WP_003245519 . "acetyl-CoA carboxylase [Bacillus subtilis]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 19 no REF WP_014476962 . "acetyl-CoA carboxylase [Bacillus subtilis]" . . . . . 100.00 73 97.22 98.61 1.60e-40 . . . . 6600 1 20 no REF WP_014479957 . "acetyl-CoA carboxylase [Bacillus subtilis]" . . . . . 100.00 73 98.61 98.61 2.52e-41 . . . . 6600 1 21 no REF WP_015383786 . "propionyl-CoA carboxylase alpha chain [Bacillus subtilis]" . . . . . 93.06 67 97.01 98.51 5.46e-37 . . . . 6600 1 22 no REF WP_031600576 . "acetyl-CoA carboxylase biotin carboxyl carrier protein subunit [Bacillus subtilis]" . . . . . 93.06 67 98.51 98.51 9.92e-38 . . . . 6600 1 23 no SP C0H419 . "RecName: Full=Biotin/lipoyl attachment protein; Short=BLAP [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 73 100.00 100.00 5.25e-42 . . . . 6600 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Biotin Carboxyl Carrier Protein' common 6600 1 s-BCCP abbreviation 6600 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 2 THR . 6600 1 2 3 VAL . 6600 1 3 4 SER . 6600 1 4 5 ILE . 6600 1 5 6 GLN . 6600 1 6 7 MET . 6600 1 7 8 ALA . 6600 1 8 9 GLY . 6600 1 9 10 ASN . 6600 1 10 11 LEU . 6600 1 11 12 TRP . 6600 1 12 13 LYS . 6600 1 13 14 VAL . 6600 1 14 15 HIS . 6600 1 15 16 VAL . 6600 1 16 17 LYS . 6600 1 17 18 ALA . 6600 1 18 19 GLY . 6600 1 19 20 ASP . 6600 1 20 21 GLN . 6600 1 21 22 ILE . 6600 1 22 23 GLU . 6600 1 23 24 LYS . 6600 1 24 25 GLY . 6600 1 25 26 GLN . 6600 1 26 27 GLU . 6600 1 27 28 VAL . 6600 1 28 29 ALA . 6600 1 29 30 ILE . 6600 1 30 31 LEU . 6600 1 31 32 GLU . 6600 1 32 33 SER . 6600 1 33 34 MET . 6600 1 34 35 LYS . 6600 1 35 36 MET . 6600 1 36 37 GLU . 6600 1 37 38 ILE . 6600 1 38 39 PRO . 6600 1 39 40 ILE . 6600 1 40 41 VAL . 6600 1 41 42 ALA . 6600 1 42 43 ASP . 6600 1 43 44 ARG . 6600 1 44 45 SER . 6600 1 45 46 GLY . 6600 1 46 47 ILE . 6600 1 47 48 VAL . 6600 1 48 49 LYS . 6600 1 49 50 GLU . 6600 1 50 51 VAL . 6600 1 51 52 LYS . 6600 1 52 53 LYS . 6600 1 53 54 LYS . 6600 1 54 55 GLU . 6600 1 55 56 GLY . 6600 1 56 57 ASP . 6600 1 57 58 PHE . 6600 1 58 59 VAL . 6600 1 59 60 ASN . 6600 1 60 61 GLU . 6600 1 61 62 GLY . 6600 1 62 63 ASP . 6600 1 63 64 VAL . 6600 1 64 65 LEU . 6600 1 65 66 LEU . 6600 1 66 67 GLU . 6600 1 67 68 LEU . 6600 1 68 69 SER . 6600 1 69 70 ASN . 6600 1 70 71 SER . 6600 1 71 72 THR . 6600 1 72 73 GLN . 6600 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 . THR 1 1 6600 1 . VAL 2 2 6600 1 . SER 3 3 6600 1 . ILE 4 4 6600 1 . GLN 5 5 6600 1 . MET 6 6 6600 1 . ALA 7 7 6600 1 . GLY 8 8 6600 1 . ASN 9 9 6600 1 . LEU 10 10 6600 1 . TRP 11 11 6600 1 . LYS 12 12 6600 1 . VAL 13 13 6600 1 . HIS 14 14 6600 1 . VAL 15 15 6600 1 . LYS 16 16 6600 1 . ALA 17 17 6600 1 . GLY 18 18 6600 1 . ASP 19 19 6600 1 . GLN 20 20 6600 1 . ILE 21 21 6600 1 . GLU 22 22 6600 1 . LYS 23 23 6600 1 . GLY 24 24 6600 1 . GLN 25 25 6600 1 . GLU 26 26 6600 1 . VAL 27 27 6600 1 . ALA 28 28 6600 1 . ILE 29 29 6600 1 . LEU 30 30 6600 1 . GLU 31 31 6600 1 . SER 32 32 6600 1 . MET 33 33 6600 1 . LYS 34 34 6600 1 . MET 35 35 6600 1 . GLU 36 36 6600 1 . ILE 37 37 6600 1 . PRO 38 38 6600 1 . ILE 39 39 6600 1 . VAL 40 40 6600 1 . ALA 41 41 6600 1 . ASP 42 42 6600 1 . ARG 43 43 6600 1 . SER 44 44 6600 1 . GLY 45 45 6600 1 . ILE 46 46 6600 1 . VAL 47 47 6600 1 . LYS 48 48 6600 1 . GLU 49 49 6600 1 . VAL 50 50 6600 1 . LYS 51 51 6600 1 . LYS 52 52 6600 1 . LYS 53 53 6600 1 . GLU 54 54 6600 1 . GLY 55 55 6600 1 . ASP 56 56 6600 1 . PHE 57 57 6600 1 . VAL 58 58 6600 1 . ASN 59 59 6600 1 . GLU 60 60 6600 1 . GLY 61 61 6600 1 . ASP 62 62 6600 1 . VAL 63 63 6600 1 . LEU 64 64 6600 1 . LEU 65 65 6600 1 . GLU 66 66 6600 1 . LEU 67 67 6600 1 . SER 68 68 6600 1 . ASN 69 69 6600 1 . SER 70 70 6600 1 . THR 71 71 6600 1 . GLN 72 72 6600 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 6600 _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 $s-BCCP . 1423 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6600 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 6600 _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 $s-BCCP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6600 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6600 _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 'Biotin Carboxyl Carrier Protein' '[U-13C; U-15N]' . . 1 $s-BCCP . . 1.2 . . mM . . . . 6600 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6600 1 3 H2O . . . . . . . 90 . . % . . . . 6600 1 4 D2O . . . . . . . 10 . . % . . . . 6600 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 6600 _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' 150 . mM 6600 1 pH 7.0 . pH 6600 1 pressure 1 . atm 6600 1 temperature 298 . K 6600 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6600 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6600 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6600 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Frank Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6600 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6600 _Software.ID 3 _Software.Name NMRView _Software.Version 5 _Software.Details 'Bruce Johnson' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6600 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6600 _Software.ID 4 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details 'Peter Guntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6600 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6600 _Software.ID 5 _Software.Name AMBER _Software.Version 7.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6600 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6600 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 6600 _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 NMR_spectrometer Bruker AVANCE . 600 . . . 6600 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 6600 _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 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6600 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6600 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6600 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6600 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6600 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm . . . 0.251449530 . . . . . . . . . 6600 1 H 1 DSS 'methyl protons' . . . . ppm . . . 1.000000000 . . . . . . . . . 6600 1 N 15 DSS 'methyl protons' . . . . ppm . . . 0.101329118 . . . . . . . . . 6600 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 6600 _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 '3D 13C-separated NOESY' 1 $sample_1 . 6600 1 2 '3D 15N-separated NOESY' 1 $sample_1 . 6600 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 THR HA H 1 5.167 0.02 . 1 . . . . . . . . 6600 1 2 . 1 1 1 1 THR HB H 1 4.172 0.02 . 1 . . . . . . . . 6600 1 3 . 1 1 1 1 THR HG21 H 1 1.222 0.02 . 1 . . . . . . . . 6600 1 4 . 1 1 1 1 THR HG22 H 1 1.222 0.02 . 1 . . . . . . . . 6600 1 5 . 1 1 1 1 THR HG23 H 1 1.222 0.02 . 1 . . . . . . . . 6600 1 6 . 1 1 1 1 THR C C 13 174.338 0.25 . 1 . . . . . . . . 6600 1 7 . 1 1 1 1 THR CA C 13 59.681 0.25 . 1 . . . . . . . . 6600 1 8 . 1 1 1 1 THR CB C 13 72.668 0.25 . 1 . . . . . . . . 6600 1 9 . 1 1 1 1 THR CG2 C 13 22.943 0.25 . 1 . . . . . . . . 6600 1 10 . 1 1 2 2 VAL H H 1 8.330 0.02 . 1 . . . . . . . . 6600 1 11 . 1 1 2 2 VAL HA H 1 4.511 0.02 . 1 . . . . . . . . 6600 1 12 . 1 1 2 2 VAL HB H 1 1.828 0.02 . 1 . . . . . . . . 6600 1 13 . 1 1 2 2 VAL HG11 H 1 1.012 0.02 . 2 . . . . . . . . 6600 1 14 . 1 1 2 2 VAL HG12 H 1 1.012 0.02 . 2 . . . . . . . . 6600 1 15 . 1 1 2 2 VAL HG13 H 1 1.012 0.02 . 2 . . . . . . . . 6600 1 16 . 1 1 2 2 VAL HG21 H 1 0.889 0.02 . 2 . . . . . . . . 6600 1 17 . 1 1 2 2 VAL HG22 H 1 0.889 0.02 . 2 . . . . . . . . 6600 1 18 . 1 1 2 2 VAL HG23 H 1 0.889 0.02 . 2 . . . . . . . . 6600 1 19 . 1 1 2 2 VAL C C 13 175.255 0.25 . 1 . . . . . . . . 6600 1 20 . 1 1 2 2 VAL CA C 13 62.028 0.25 . 1 . . . . . . . . 6600 1 21 . 1 1 2 2 VAL CB C 13 33.861 0.25 . 1 . . . . . . . . 6600 1 22 . 1 1 2 2 VAL CG1 C 13 21.680 0.25 . 1 . . . . . . . . 6600 1 23 . 1 1 2 2 VAL CG2 C 13 20.841 0.25 . 1 . . . . . . . . 6600 1 24 . 1 1 2 2 VAL N N 15 118.780 0.25 . 1 . . . . . . . . 6600 1 25 . 1 1 3 3 SER H H 1 8.982 0.02 . 1 . . . . . . . . 6600 1 26 . 1 1 3 3 SER HA H 1 5.097 0.02 . 1 . . . . . . . . 6600 1 27 . 1 1 3 3 SER HB2 H 1 3.557 0.02 . 2 . . . . . . . . 6600 1 28 . 1 1 3 3 SER HB3 H 1 3.582 0.02 . 2 . . . . . . . . 6600 1 29 . 1 1 3 3 SER C C 13 172.295 0.25 . 1 . . . . . . . . 6600 1 30 . 1 1 3 3 SER CA C 13 57.370 0.25 . 1 . . . . . . . . 6600 1 31 . 1 1 3 3 SER CB C 13 65.150 0.25 . 1 . . . . . . . . 6600 1 32 . 1 1 3 3 SER N N 15 124.745 0.25 . 1 . . . . . . . . 6600 1 33 . 1 1 4 4 ILE H H 1 8.722 0.02 . 1 . . . . . . . . 6600 1 34 . 1 1 4 4 ILE HA H 1 4.008 0.02 . 1 . . . . . . . . 6600 1 35 . 1 1 4 4 ILE HB H 1 1.872 0.02 . 1 . . . . . . . . 6600 1 36 . 1 1 4 4 ILE HG12 H 1 1.418 0.02 . 1 . . . . . . . . 6600 1 37 . 1 1 4 4 ILE HG13 H 1 1.084 0.02 . 1 . . . . . . . . 6600 1 38 . 1 1 4 4 ILE HG21 H 1 0.908 0.02 . 1 . . . . . . . . 6600 1 39 . 1 1 4 4 ILE HG22 H 1 0.908 0.02 . 1 . . . . . . . . 6600 1 40 . 1 1 4 4 ILE HG23 H 1 0.908 0.02 . 1 . . . . . . . . 6600 1 41 . 1 1 4 4 ILE HD11 H 1 0.735 0.02 . 1 . . . . . . . . 6600 1 42 . 1 1 4 4 ILE HD12 H 1 0.735 0.02 . 1 . . . . . . . . 6600 1 43 . 1 1 4 4 ILE HD13 H 1 0.735 0.02 . 1 . . . . . . . . 6600 1 44 . 1 1 4 4 ILE C C 13 176.976 0.25 . 1 . . . . . . . . 6600 1 45 . 1 1 4 4 ILE CA C 13 60.673 0.25 . 1 . . . . . . . . 6600 1 46 . 1 1 4 4 ILE CB C 13 38.216 0.25 . 1 . . . . . . . . 6600 1 47 . 1 1 4 4 ILE CG1 C 13 27.326 0.25 . 2 . . . . . . . . 6600 1 48 . 1 1 4 4 ILE CG2 C 13 19.196 0.25 . 1 . . . . . . . . 6600 1 49 . 1 1 4 4 ILE CD1 C 13 13.289 0.25 . 1 . . . . . . . . 6600 1 50 . 1 1 4 4 ILE N N 15 122.570 0.25 . 1 . . . . . . . . 6600 1 51 . 1 1 5 5 GLN H H 1 9.305 0.02 . 1 . . . . . . . . 6600 1 52 . 1 1 5 5 GLN HA H 1 4.416 0.02 . 1 . . . . . . . . 6600 1 53 . 1 1 5 5 GLN HB2 H 1 2.298 0.02 . 2 . . . . . . . . 6600 1 54 . 1 1 5 5 GLN HB3 H 1 1.973 0.02 . 2 . . . . . . . . 6600 1 55 . 1 1 5 5 GLN HG2 H 1 2.485 0.02 . 2 . . . . . . . . 6600 1 56 . 1 1 5 5 GLN HG3 H 1 2.295 0.02 . 2 . . . . . . . . 6600 1 57 . 1 1 5 5 GLN HE21 H 1 7.434 0.02 . 2 . . . . . . . . 6600 1 58 . 1 1 5 5 GLN HE22 H 1 6.774 0.02 . 2 . . . . . . . . 6600 1 59 . 1 1 5 5 GLN C C 13 174.231 0.25 . 1 . . . . . . . . 6600 1 60 . 1 1 5 5 GLN CA C 13 56.351 0.25 . 1 . . . . . . . . 6600 1 61 . 1 1 5 5 GLN CB C 13 29.109 0.25 . 1 . . . . . . . . 6600 1 62 . 1 1 5 5 GLN CG C 13 33.588 0.25 . 1 . . . . . . . . 6600 1 63 . 1 1 5 5 GLN CD C 13 180.29 0.25 . 1 . . . . . . . . 6600 1 64 . 1 1 5 5 GLN N N 15 125.992 0.25 . 1 . . . . . . . . 6600 1 65 . 1 1 5 5 GLN NE2 N 15 111.708 0.25 . 1 . . . . . . . . 6600 1 66 . 1 1 6 6 MET H H 1 7.278 0.02 . 1 . . . . . . . . 6600 1 67 . 1 1 6 6 MET HA H 1 4.493 0.02 . 1 . . . . . . . . 6600 1 68 . 1 1 6 6 MET HB2 H 1 1.830 0.02 . 2 . . . . . . . . 6600 1 69 . 1 1 6 6 MET HB3 H 1 1.963 0.02 . 2 . . . . . . . . 6600 1 70 . 1 1 6 6 MET HG2 H 1 2.363 0.02 . 1 . . . . . . . . 6600 1 71 . 1 1 6 6 MET HG3 H 1 2.363 0.02 . 1 . . . . . . . . 6600 1 72 . 1 1 6 6 MET HE1 H 1 2.046 0.02 . 1 . . . . . . . . 6600 1 73 . 1 1 6 6 MET HE2 H 1 2.046 0.02 . 1 . . . . . . . . 6600 1 74 . 1 1 6 6 MET HE3 H 1 2.046 0.02 . 1 . . . . . . . . 6600 1 75 . 1 1 6 6 MET C C 13 170.800 0.25 . 1 . . . . . . . . 6600 1 76 . 1 1 6 6 MET CA C 13 54.445 0.25 . 1 . . . . . . . . 6600 1 77 . 1 1 6 6 MET CB C 13 35.573 0.25 . 1 . . . . . . . . 6600 1 78 . 1 1 6 6 MET CG C 13 31.187 0.25 . 1 . . . . . . . . 6600 1 79 . 1 1 6 6 MET CE C 13 16.977 0.25 . 1 . . . . . . . . 6600 1 80 . 1 1 6 6 MET N N 15 118.251 0.25 . 1 . . . . . . . . 6600 1 81 . 1 1 7 7 ALA H H 1 8.059 0.02 . 1 . . . . . . . . 6600 1 82 . 1 1 7 7 ALA HA H 1 4.611 0.02 . 1 . . . . . . . . 6600 1 83 . 1 1 7 7 ALA HB1 H 1 1.526 0.02 . 1 . . . . . . . . 6600 1 84 . 1 1 7 7 ALA HB2 H 1 1.526 0.02 . 1 . . . . . . . . 6600 1 85 . 1 1 7 7 ALA HB3 H 1 1.526 0.02 . 1 . . . . . . . . 6600 1 86 . 1 1 7 7 ALA C C 13 178.391 0.25 . 1 . . . . . . . . 6600 1 87 . 1 1 7 7 ALA CA C 13 50.832 0.25 . 1 . . . . . . . . 6600 1 88 . 1 1 7 7 ALA CB C 13 20.185 0.25 . 1 . . . . . . . . 6600 1 89 . 1 1 7 7 ALA N N 15 119.808 0.25 . 1 . . . . . . . . 6600 1 90 . 1 1 8 8 GLY H H 1 7.928 0.02 . 1 . . . . . . . . 6600 1 91 . 1 1 8 8 GLY HA2 H 1 4.092 0.02 . 2 . . . . . . . . 6600 1 92 . 1 1 8 8 GLY HA3 H 1 3.960 0.02 . 2 . . . . . . . . 6600 1 93 . 1 1 8 8 GLY C C 13 170.401 0.25 . 1 . . . . . . . . 6600 1 94 . 1 1 8 8 GLY CA C 13 45.398 0.25 . 1 . . . . . . . . 6600 1 95 . 1 1 8 8 GLY N N 15 106.063 0.25 . 1 . . . . . . . . 6600 1 96 . 1 1 9 9 ASN H H 1 8.685 0.02 . 1 . . . . . . . . 6600 1 97 . 1 1 9 9 ASN HA H 1 5.282 0.02 . 1 . . . . . . . . 6600 1 98 . 1 1 9 9 ASN HB2 H 1 2.785 0.02 . 2 . . . . . . . . 6600 1 99 . 1 1 9 9 ASN HB3 H 1 2.571 0.02 . 2 . . . . . . . . 6600 1 100 . 1 1 9 9 ASN HD21 H 1 6.776 0.02 . 2 . . . . . . . . 6600 1 101 . 1 1 9 9 ASN HD22 H 1 7.438 0.02 . 2 . . . . . . . . 6600 1 102 . 1 1 9 9 ASN C C 13 175.446 0.25 . 1 . . . . . . . . 6600 1 103 . 1 1 9 9 ASN CA C 13 52.276 0.25 . 1 . . . . . . . . 6600 1 104 . 1 1 9 9 ASN CB C 13 41.280 0.25 . 1 . . . . . . . . 6600 1 105 . 1 1 9 9 ASN CG C 13 176.25 0.25 . 1 . . . . . . . . 6600 1 106 . 1 1 9 9 ASN N N 15 116.838 0.25 . 1 . . . . . . . . 6600 1 107 . 1 1 9 9 ASN ND2 N 15 113.175 0.25 . 1 . . . . . . . . 6600 1 108 . 1 1 10 10 LEU H H 1 9.073 0.02 . 1 . . . . . . . . 6600 1 109 . 1 1 10 10 LEU HA H 1 4.349 0.02 . 1 . . . . . . . . 6600 1 110 . 1 1 10 10 LEU HB2 H 1 1.435 0.02 . 2 . . . . . . . . 6600 1 111 . 1 1 10 10 LEU HB3 H 1 1.737 0.02 . 2 . . . . . . . . 6600 1 112 . 1 1 10 10 LEU HG H 1 1.305 0.02 . 1 . . . . . . . . 6600 1 113 . 1 1 10 10 LEU HD11 H 1 0.650 0.02 . 2 . . . . . . . . 6600 1 114 . 1 1 10 10 LEU HD12 H 1 0.650 0.02 . 2 . . . . . . . . 6600 1 115 . 1 1 10 10 LEU HD13 H 1 0.650 0.02 . 2 . . . . . . . . 6600 1 116 . 1 1 10 10 LEU HD21 H 1 0.557 0.02 . 2 . . . . . . . . 6600 1 117 . 1 1 10 10 LEU HD22 H 1 0.557 0.02 . 2 . . . . . . . . 6600 1 118 . 1 1 10 10 LEU HD23 H 1 0.557 0.02 . 2 . . . . . . . . 6600 1 119 . 1 1 10 10 LEU C C 13 174.391 0.25 . 1 . . . . . . . . 6600 1 120 . 1 1 10 10 LEU CA C 13 55.417 0.25 . 1 . . . . . . . . 6600 1 121 . 1 1 10 10 LEU CB C 13 41.287 0.25 . 1 . . . . . . . . 6600 1 122 . 1 1 10 10 LEU CG C 13 27.07 0.25 . 1 . . . . . . . . 6600 1 123 . 1 1 10 10 LEU CD1 C 13 25.306 0.25 . 1 . . . . . . . . 6600 1 124 . 1 1 10 10 LEU CD2 C 13 26.059 0.25 . 1 . . . . . . . . 6600 1 125 . 1 1 10 10 LEU N N 15 125.847 0.25 . 1 . . . . . . . . 6600 1 126 . 1 1 11 11 TRP H H 1 8.730 0.02 . 1 . . . . . . . . 6600 1 127 . 1 1 11 11 TRP HA H 1 4.820 0.02 . 1 . . . . . . . . 6600 1 128 . 1 1 11 11 TRP HB2 H 1 3.159 0.02 . 2 . . . . . . . . 6600 1 129 . 1 1 11 11 TRP HB3 H 1 3.021 0.02 . 2 . . . . . . . . 6600 1 130 . 1 1 11 11 TRP HD1 H 1 7.047 0.02 . 1 . . . . . . . . 6600 1 131 . 1 1 11 11 TRP HE1 H 1 10.073 0.02 . 1 . . . . . . . . 6600 1 132 . 1 1 11 11 TRP HE3 H 1 7.428 0.02 . 1 . . . . . . . . 6600 1 133 . 1 1 11 11 TRP HZ2 H 1 7.460 0.02 . 1 . . . . . . . . 6600 1 134 . 1 1 11 11 TRP HZ3 H 1 7.103 0.02 . 1 . . . . . . . . 6600 1 135 . 1 1 11 11 TRP HH2 H 1 7.204 0.02 . 1 . . . . . . . . 6600 1 136 . 1 1 11 11 TRP C C 13 175.359 0.25 . 1 . . . . . . . . 6600 1 137 . 1 1 11 11 TRP CA C 13 58.550 0.25 . 1 . . . . . . . . 6600 1 138 . 1 1 11 11 TRP CB C 13 31.467 0.25 . 1 . . . . . . . . 6600 1 139 . 1 1 11 11 TRP CD1 C 13 126.479 0.25 . 1 . . . . . . . . 6600 1 140 . 1 1 11 11 TRP CE3 C 13 120.488 0.25 . 1 . . . . . . . . 6600 1 141 . 1 1 11 11 TRP CZ2 C 13 114.661 0.25 . 1 . . . . . . . . 6600 1 142 . 1 1 11 11 TRP CZ3 C 13 122.079 0.25 . 1 . . . . . . . . 6600 1 143 . 1 1 11 11 TRP CH2 C 13 124.818 0.25 . 1 . . . . . . . . 6600 1 144 . 1 1 11 11 TRP N N 15 132.644 0.25 . 1 . . . . . . . . 6600 1 145 . 1 1 11 11 TRP NE1 N 15 129.366 0.25 . 1 . . . . . . . . 6600 1 146 . 1 1 12 12 LYS H H 1 7.626 0.02 . 1 . . . . . . . . 6600 1 147 . 1 1 12 12 LYS HA H 1 4.533 0.02 . 1 . . . . . . . . 6600 1 148 . 1 1 12 12 LYS HB2 H 1 1.172 0.02 . 2 . . . . . . . . 6600 1 149 . 1 1 12 12 LYS HB3 H 1 1.365 0.02 . 2 . . . . . . . . 6600 1 150 . 1 1 12 12 LYS HG2 H 1 0.860 0.02 . 2 . . . . . . . . 6600 1 151 . 1 1 12 12 LYS HG3 H 1 0.766 0.02 . 2 . . . . . . . . 6600 1 152 . 1 1 12 12 LYS HD2 H 1 1.477 0.02 . 2 . . . . . . . . 6600 1 153 . 1 1 12 12 LYS HD3 H 1 1.370 0.02 . 2 . . . . . . . . 6600 1 154 . 1 1 12 12 LYS HE2 H 1 2.450 0.02 . 2 . . . . . . . . 6600 1 155 . 1 1 12 12 LYS HE3 H 1 2.298 0.02 . 2 . . . . . . . . 6600 1 156 . 1 1 12 12 LYS C C 13 175.185 0.25 . 1 . . . . . . . . 6600 1 157 . 1 1 12 12 LYS CA C 13 53.951 0.25 . 1 . . . . . . . . 6600 1 158 . 1 1 12 12 LYS CB C 13 37.544 0.25 . 1 . . . . . . . . 6600 1 159 . 1 1 12 12 LYS CG C 13 24.296 0.25 . 1 . . . . . . . . 6600 1 160 . 1 1 12 12 LYS CD C 13 28.342 0.25 . 1 . . . . . . . . 6600 1 161 . 1 1 12 12 LYS CE C 13 41.839 0.25 . 1 . . . . . . . . 6600 1 162 . 1 1 12 12 LYS N N 15 113.388 0.25 . 1 . . . . . . . . 6600 1 163 . 1 1 13 13 VAL H H 1 9.604 0.02 . 1 . . . . . . . . 6600 1 164 . 1 1 13 13 VAL HA H 1 4.042 0.02 . 1 . . . . . . . . 6600 1 165 . 1 1 13 13 VAL HB H 1 2.122 0.02 . 1 . . . . . . . . 6600 1 166 . 1 1 13 13 VAL HG11 H 1 1.159 0.02 . 2 . . . . . . . . 6600 1 167 . 1 1 13 13 VAL HG12 H 1 1.159 0.02 . 2 . . . . . . . . 6600 1 168 . 1 1 13 13 VAL HG13 H 1 1.159 0.02 . 2 . . . . . . . . 6600 1 169 . 1 1 13 13 VAL HG21 H 1 0.812 0.02 . 2 . . . . . . . . 6600 1 170 . 1 1 13 13 VAL HG22 H 1 0.812 0.02 . 2 . . . . . . . . 6600 1 171 . 1 1 13 13 VAL HG23 H 1 0.812 0.02 . 2 . . . . . . . . 6600 1 172 . 1 1 13 13 VAL C C 13 175.672 0.25 . 1 . . . . . . . . 6600 1 173 . 1 1 13 13 VAL CA C 13 62.673 0.25 . 1 . . . . . . . . 6600 1 174 . 1 1 13 13 VAL CB C 13 33.577 0.25 . 1 . . . . . . . . 6600 1 175 . 1 1 13 13 VAL CG1 C 13 21.901 0.25 . 1 . . . . . . . . 6600 1 176 . 1 1 13 13 VAL CG2 C 13 22.009 0.25 . 1 . . . . . . . . 6600 1 177 . 1 1 13 13 VAL N N 15 123.793 0.25 . 1 . . . . . . . . 6600 1 178 . 1 1 14 14 HIS H H 1 8.288 0.02 . 1 . . . . . . . . 6600 1 179 . 1 1 14 14 HIS HA H 1 4.879 0.02 . 1 . . . . . . . . 6600 1 180 . 1 1 14 14 HIS HB2 H 1 2.830 0.02 . 2 . . . . . . . . 6600 1 181 . 1 1 14 14 HIS HB3 H 1 3.357 0.02 . 2 . . . . . . . . 6600 1 182 . 1 1 14 14 HIS HD2 H 1 6.645 0.02 . 2 . . . . . . . . 6600 1 183 . 1 1 14 14 HIS HE1 H 1 7.466 0.02 . 2 . . . . . . . . 6600 1 184 . 1 1 14 14 HIS C C 13 176.346 0.25 . 1 . . . . . . . . 6600 1 185 . 1 1 14 14 HIS CA C 13 56.438 0.25 . 1 . . . . . . . . 6600 1 186 . 1 1 14 14 HIS CB C 13 32.870 0.25 . 1 . . . . . . . . 6600 1 187 . 1 1 14 14 HIS CD2 C 13 118.268 0.25 . 2 . . . . . . . . 6600 1 188 . 1 1 14 14 HIS CE1 C 13 138.363 0.25 . 2 . . . . . . . . 6600 1 189 . 1 1 14 14 HIS N N 15 123.201 0.25 . 1 . . . . . . . . 6600 1 190 . 1 1 15 15 VAL H H 1 6.797 0.02 . 1 . . . . . . . . 6600 1 191 . 1 1 15 15 VAL HA H 1 4.901 0.02 . 1 . . . . . . . . 6600 1 192 . 1 1 15 15 VAL HB H 1 2.306 0.02 . 1 . . . . . . . . 6600 1 193 . 1 1 15 15 VAL HG11 H 1 1.006 0.02 . 2 . . . . . . . . 6600 1 194 . 1 1 15 15 VAL HG12 H 1 1.006 0.02 . 2 . . . . . . . . 6600 1 195 . 1 1 15 15 VAL HG13 H 1 1.006 0.02 . 2 . . . . . . . . 6600 1 196 . 1 1 15 15 VAL HG21 H 1 0.789 0.02 . 2 . . . . . . . . 6600 1 197 . 1 1 15 15 VAL HG22 H 1 0.789 0.02 . 2 . . . . . . . . 6600 1 198 . 1 1 15 15 VAL HG23 H 1 0.789 0.02 . 2 . . . . . . . . 6600 1 199 . 1 1 15 15 VAL C C 13 172.990 0.25 . 1 . . . . . . . . 6600 1 200 . 1 1 15 15 VAL CA C 13 58.649 0.25 . 1 . . . . . . . . 6600 1 201 . 1 1 15 15 VAL CB C 13 35.060 0.25 . 1 . . . . . . . . 6600 1 202 . 1 1 15 15 VAL CG1 C 13 21.700 0.25 . 1 . . . . . . . . 6600 1 203 . 1 1 15 15 VAL CG2 C 13 18.541 0.25 . 1 . . . . . . . . 6600 1 204 . 1 1 15 15 VAL N N 15 106.370 0.25 . 1 . . . . . . . . 6600 1 205 . 1 1 16 16 LYS H H 1 8.751 0.02 . 1 . . . . . . . . 6600 1 206 . 1 1 16 16 LYS HA H 1 4.586 0.02 . 1 . . . . . . . . 6600 1 207 . 1 1 16 16 LYS HB2 H 1 1.778 0.02 . 1 . . . . . . . . 6600 1 208 . 1 1 16 16 LYS HB3 H 1 1.778 0.02 . 1 . . . . . . . . 6600 1 209 . 1 1 16 16 LYS HG2 H 1 1.260 0.02 . 2 . . . . . . . . 6600 1 210 . 1 1 16 16 LYS HG3 H 1 1.518 0.02 . 2 . . . . . . . . 6600 1 211 . 1 1 16 16 LYS HD2 H 1 1.668 0.02 . 1 . . . . . . . . 6600 1 212 . 1 1 16 16 LYS HD3 H 1 1.668 0.02 . 1 . . . . . . . . 6600 1 213 . 1 1 16 16 LYS HE2 H 1 3.048 0.02 . 1 . . . . . . . . 6600 1 214 . 1 1 16 16 LYS HE3 H 1 3.048 0.02 . 1 . . . . . . . . 6600 1 215 . 1 1 16 16 LYS C C 13 175.064 0.25 . 1 . . . . . . . . 6600 1 216 . 1 1 16 16 LYS CA C 13 53.917 0.25 . 1 . . . . . . . . 6600 1 217 . 1 1 16 16 LYS CB C 13 36.487 0.25 . 1 . . . . . . . . 6600 1 218 . 1 1 16 16 LYS CG C 13 23.082 0.25 . 1 . . . . . . . . 6600 1 219 . 1 1 16 16 LYS CD C 13 29.178 0.25 . 1 . . . . . . . . 6600 1 220 . 1 1 16 16 LYS CE C 13 42.307 0.25 . 1 . . . . . . . . 6600 1 221 . 1 1 16 16 LYS N N 15 118.384 0.25 . 1 . . . . . . . . 6600 1 222 . 1 1 17 17 ALA H H 1 8.557 0.02 . 1 . . . . . . . . 6600 1 223 . 1 1 17 17 ALA HA H 1 3.656 0.02 . 1 . . . . . . . . 6600 1 224 . 1 1 17 17 ALA HB1 H 1 1.309 0.02 . 1 . . . . . . . . 6600 1 225 . 1 1 17 17 ALA HB2 H 1 1.309 0.02 . 1 . . . . . . . . 6600 1 226 . 1 1 17 17 ALA HB3 H 1 1.309 0.02 . 1 . . . . . . . . 6600 1 227 . 1 1 17 17 ALA C C 13 178.079 0.25 . 1 . . . . . . . . 6600 1 228 . 1 1 17 17 ALA CA C 13 53.840 0.25 . 1 . . . . . . . . 6600 1 229 . 1 1 17 17 ALA CB C 13 17.743 0.25 . 1 . . . . . . . . 6600 1 230 . 1 1 17 17 ALA N N 15 121.136 0.25 . 1 . . . . . . . . 6600 1 231 . 1 1 18 18 GLY H H 1 9.283 0.02 . 1 . . . . . . . . 6600 1 232 . 1 1 18 18 GLY HA2 H 1 4.462 0.02 . 2 . . . . . . . . 6600 1 233 . 1 1 18 18 GLY HA3 H 1 3.469 0.02 . 2 . . . . . . . . 6600 1 234 . 1 1 18 18 GLY C C 13 174.376 0.25 . 1 . . . . . . . . 6600 1 235 . 1 1 18 18 GLY CA C 13 44.782 0.25 . 1 . . . . . . . . 6600 1 236 . 1 1 18 18 GLY N N 15 112.204 0.25 . 1 . . . . . . . . 6600 1 237 . 1 1 19 19 ASP H H 1 7.989 0.02 . 1 . . . . . . . . 6600 1 238 . 1 1 19 19 ASP HA H 1 4.600 0.02 . 1 . . . . . . . . 6600 1 239 . 1 1 19 19 ASP HB2 H 1 2.565 0.02 . 2 . . . . . . . . 6600 1 240 . 1 1 19 19 ASP HB3 H 1 2.819 0.02 . 2 . . . . . . . . 6600 1 241 . 1 1 19 19 ASP C C 13 175.232 0.25 . 1 . . . . . . . . 6600 1 242 . 1 1 19 19 ASP CA C 13 54.920 0.25 . 1 . . . . . . . . 6600 1 243 . 1 1 19 19 ASP CB C 13 41.184 0.25 . 1 . . . . . . . . 6600 1 244 . 1 1 19 19 ASP N N 15 121.139 0.25 . 1 . . . . . . . . 6600 1 245 . 1 1 20 20 GLN H H 1 8.699 0.02 . 1 . . . . . . . . 6600 1 246 . 1 1 20 20 GLN HA H 1 4.749 0.02 . 1 . . . . . . . . 6600 1 247 . 1 1 20 20 GLN HB2 H 1 2.026 0.02 . 1 . . . . . . . . 6600 1 248 . 1 1 20 20 GLN HB3 H 1 2.026 0.02 . 1 . . . . . . . . 6600 1 249 . 1 1 20 20 GLN HG2 H 1 2.237 0.02 . 2 . . . . . . . . 6600 1 250 . 1 1 20 20 GLN HG3 H 1 2.297 0.02 . 2 . . . . . . . . 6600 1 251 . 1 1 20 20 GLN HE21 H 1 6.764 0.02 . 2 . . . . . . . . 6600 1 252 . 1 1 20 20 GLN HE22 H 1 7.445 0.02 . 2 . . . . . . . . 6600 1 253 . 1 1 20 20 GLN C C 13 175.579 0.25 . 1 . . . . . . . . 6600 1 254 . 1 1 20 20 GLN CA C 13 55.340 0.25 . 1 . . . . . . . . 6600 1 255 . 1 1 20 20 GLN CB C 13 29.328 0.25 . 1 . . . . . . . . 6600 1 256 . 1 1 20 20 GLN CG C 13 33.931 0.25 . 1 . . . . . . . . 6600 1 257 . 1 1 20 20 GLN CD C 13 179.87 0.25 . 1 . . . . . . . . 6600 1 258 . 1 1 20 20 GLN N N 15 121.543 0.25 . 1 . . . . . . . . 6600 1 259 . 1 1 20 20 GLN NE2 N 15 111.733 0.25 . 1 . . . . . . . . 6600 1 260 . 1 1 21 21 ILE H H 1 9.124 0.02 . 1 . . . . . . . . 6600 1 261 . 1 1 21 21 ILE HA H 1 5.101 0.02 . 1 . . . . . . . . 6600 1 262 . 1 1 21 21 ILE HB H 1 1.640 0.02 . 1 . . . . . . . . 6600 1 263 . 1 1 21 21 ILE HG12 H 1 1.251 0.02 . 1 . . . . . . . . 6600 1 264 . 1 1 21 21 ILE HG13 H 1 1.083 0.02 . 1 . . . . . . . . 6600 1 265 . 1 1 21 21 ILE HG21 H 1 0.741 0.02 . 1 . . . . . . . . 6600 1 266 . 1 1 21 21 ILE HG22 H 1 0.741 0.02 . 1 . . . . . . . . 6600 1 267 . 1 1 21 21 ILE HG23 H 1 0.741 0.02 . 1 . . . . . . . . 6600 1 268 . 1 1 21 21 ILE HD11 H 1 0.660 0.02 . 1 . . . . . . . . 6600 1 269 . 1 1 21 21 ILE HD12 H 1 0.660 0.02 . 1 . . . . . . . . 6600 1 270 . 1 1 21 21 ILE HD13 H 1 0.660 0.02 . 1 . . . . . . . . 6600 1 271 . 1 1 21 21 ILE C C 13 175.598 0.25 . 1 . . . . . . . . 6600 1 272 . 1 1 21 21 ILE CA C 13 58.274 0.25 . 1 . . . . . . . . 6600 1 273 . 1 1 21 21 ILE CB C 13 41.058 0.25 . 1 . . . . . . . . 6600 1 274 . 1 1 21 21 ILE CG1 C 13 25.553 0.25 . 2 . . . . . . . . 6600 1 275 . 1 1 21 21 ILE CG2 C 13 18.347 0.25 . 1 . . . . . . . . 6600 1 276 . 1 1 21 21 ILE CD1 C 13 14.549 0.25 . 1 . . . . . . . . 6600 1 277 . 1 1 21 21 ILE N N 15 121.598 0.25 . 1 . . . . . . . . 6600 1 278 . 1 1 22 22 GLU H H 1 8.173 0.02 . 1 . . . . . . . . 6600 1 279 . 1 1 22 22 GLU HA H 1 4.801 0.02 . 1 . . . . . . . . 6600 1 280 . 1 1 22 22 GLU HB2 H 1 1.995 0.02 . 2 . . . . . . . . 6600 1 281 . 1 1 22 22 GLU HB3 H 1 1.734 0.02 . 2 . . . . . . . . 6600 1 282 . 1 1 22 22 GLU HG2 H 1 2.286 0.02 . 2 . . . . . . . . 6600 1 283 . 1 1 22 22 GLU HG3 H 1 2.255 0.02 . 2 . . . . . . . . 6600 1 284 . 1 1 22 22 GLU C C 13 175.118 0.25 . 1 . . . . . . . . 6600 1 285 . 1 1 22 22 GLU CA C 13 53.228 0.25 . 1 . . . . . . . . 6600 1 286 . 1 1 22 22 GLU CB C 13 32.801 0.25 . 1 . . . . . . . . 6600 1 287 . 1 1 22 22 GLU CG C 13 35.644 0.25 . 1 . . . . . . . . 6600 1 288 . 1 1 22 22 GLU N N 15 122.346 0.25 . 1 . . . . . . . . 6600 1 289 . 1 1 23 23 LYS H H 1 8.229 0.02 . 1 . . . . . . . . 6600 1 290 . 1 1 23 23 LYS HA H 1 3.380 0.02 . 1 . . . . . . . . 6600 1 291 . 1 1 23 23 LYS HB2 H 1 1.500 0.02 . 2 . . . . . . . . 6600 1 292 . 1 1 23 23 LYS HB3 H 1 1.665 0.02 . 2 . . . . . . . . 6600 1 293 . 1 1 23 23 LYS HG2 H 1 1.193 0.02 . 1 . . . . . . . . 6600 1 294 . 1 1 23 23 LYS HG3 H 1 1.193 0.02 . 1 . . . . . . . . 6600 1 295 . 1 1 23 23 LYS HD2 H 1 1.655 0.02 . 1 . . . . . . . . 6600 1 296 . 1 1 23 23 LYS HD3 H 1 1.655 0.02 . 1 . . . . . . . . 6600 1 297 . 1 1 23 23 LYS HE2 H 1 2.983 0.02 . 1 . . . . . . . . 6600 1 298 . 1 1 23 23 LYS HE3 H 1 2.983 0.02 . 1 . . . . . . . . 6600 1 299 . 1 1 23 23 LYS C C 13 177.442 0.25 . 1 . . . . . . . . 6600 1 300 . 1 1 23 23 LYS CA C 13 58.617 0.25 . 1 . . . . . . . . 6600 1 301 . 1 1 23 23 LYS CB C 13 32.466 0.25 . 1 . . . . . . . . 6600 1 302 . 1 1 23 23 LYS CG C 13 24.855 0.25 . 1 . . . . . . . . 6600 1 303 . 1 1 23 23 LYS CD C 13 29.720 0.25 . 1 . . . . . . . . 6600 1 304 . 1 1 23 23 LYS CE C 13 41.991 0.25 . 1 . . . . . . . . 6600 1 305 . 1 1 23 23 LYS N N 15 121.994 0.25 . 1 . . . . . . . . 6600 1 306 . 1 1 24 24 GLY H H 1 8.923 0.02 . 1 . . . . . . . . 6600 1 307 . 1 1 24 24 GLY HA2 H 1 4.351 0.02 . 2 . . . . . . . . 6600 1 308 . 1 1 24 24 GLY HA3 H 1 3.485 0.02 . 2 . . . . . . . . 6600 1 309 . 1 1 24 24 GLY C C 13 173.499 0.25 . 1 . . . . . . . . 6600 1 310 . 1 1 24 24 GLY CA C 13 44.908 0.25 . 1 . . . . . . . . 6600 1 311 . 1 1 24 24 GLY N N 15 115.291 0.25 . 1 . . . . . . . . 6600 1 312 . 1 1 25 25 GLN H H 1 8.216 0.02 . 1 . . . . . . . . 6600 1 313 . 1 1 25 25 GLN HA H 1 4.235 0.02 . 1 . . . . . . . . 6600 1 314 . 1 1 25 25 GLN HB2 H 1 2.282 0.02 . 2 . . . . . . . . 6600 1 315 . 1 1 25 25 GLN HB3 H 1 2.043 0.02 . 2 . . . . . . . . 6600 1 316 . 1 1 25 25 GLN HG2 H 1 2.218 0.02 . 2 . . . . . . . . 6600 1 317 . 1 1 25 25 GLN HG3 H 1 2.417 0.02 . 2 . . . . . . . . 6600 1 318 . 1 1 25 25 GLN HE21 H 1 7.504 0.02 . 2 . . . . . . . . 6600 1 319 . 1 1 25 25 GLN HE22 H 1 7.277 0.02 . 2 . . . . . . . . 6600 1 320 . 1 1 25 25 GLN C C 13 175.994 0.25 . 1 . . . . . . . . 6600 1 321 . 1 1 25 25 GLN CA C 13 55.875 0.25 . 1 . . . . . . . . 6600 1 322 . 1 1 25 25 GLN CB C 13 30.691 0.25 . 1 . . . . . . . . 6600 1 323 . 1 1 25 25 GLN CG C 13 32.743 0.25 . 1 . . . . . . . . 6600 1 324 . 1 1 25 25 GLN CD C 13 179.55 0.25 . 1 . . . . . . . . 6600 1 325 . 1 1 25 25 GLN N N 15 122.557 0.25 . 1 . . . . . . . . 6600 1 326 . 1 1 25 25 GLN NE2 N 15 109.974 0.25 . 1 . . . . . . . . 6600 1 327 . 1 1 26 26 GLU H H 1 9.081 0.02 . 1 . . . . . . . . 6600 1 328 . 1 1 26 26 GLU HA H 1 4.583 0.02 . 1 . . . . . . . . 6600 1 329 . 1 1 26 26 GLU HB2 H 1 2.208 0.02 . 2 . . . . . . . . 6600 1 330 . 1 1 26 26 GLU HB3 H 1 2.117 0.02 . 2 . . . . . . . . 6600 1 331 . 1 1 26 26 GLU HG2 H 1 2.087 0.02 . 2 . . . . . . . . 6600 1 332 . 1 1 26 26 GLU HG3 H 1 2.384 0.02 . 2 . . . . . . . . 6600 1 333 . 1 1 26 26 GLU C C 13 176.574 0.25 . 1 . . . . . . . . 6600 1 334 . 1 1 26 26 GLU CA C 13 57.226 0.25 . 1 . . . . . . . . 6600 1 335 . 1 1 26 26 GLU CB C 13 30.689 0.25 . 1 . . . . . . . . 6600 1 336 . 1 1 26 26 GLU CG C 13 38.442 0.25 . 1 . . . . . . . . 6600 1 337 . 1 1 26 26 GLU N N 15 127.421 0.25 . 1 . . . . . . . . 6600 1 338 . 1 1 27 27 VAL H H 1 9.199 0.02 . 1 . . . . . . . . 6600 1 339 . 1 1 27 27 VAL HA H 1 4.709 0.02 . 1 . . . . . . . . 6600 1 340 . 1 1 27 27 VAL HB H 1 2.305 0.02 . 1 . . . . . . . . 6600 1 341 . 1 1 27 27 VAL HG11 H 1 0.699 0.02 . 2 . . . . . . . . 6600 1 342 . 1 1 27 27 VAL HG12 H 1 0.699 0.02 . 2 . . . . . . . . 6600 1 343 . 1 1 27 27 VAL HG13 H 1 0.699 0.02 . 2 . . . . . . . . 6600 1 344 . 1 1 27 27 VAL HG21 H 1 0.949 0.02 . 2 . . . . . . . . 6600 1 345 . 1 1 27 27 VAL HG22 H 1 0.949 0.02 . 2 . . . . . . . . 6600 1 346 . 1 1 27 27 VAL HG23 H 1 0.949 0.02 . 2 . . . . . . . . 6600 1 347 . 1 1 27 27 VAL C C 13 174.590 0.25 . 1 . . . . . . . . 6600 1 348 . 1 1 27 27 VAL CA C 13 61.293 0.25 . 1 . . . . . . . . 6600 1 349 . 1 1 27 27 VAL CB C 13 32.930 0.25 . 1 . . . . . . . . 6600 1 350 . 1 1 27 27 VAL CG1 C 13 18.401 0.25 . 1 . . . . . . . . 6600 1 351 . 1 1 27 27 VAL CG2 C 13 22.610 0.25 . 1 . . . . . . . . 6600 1 352 . 1 1 27 27 VAL N N 15 119.282 0.25 . 1 . . . . . . . . 6600 1 353 . 1 1 28 28 ALA H H 1 8.140 0.02 . 1 . . . . . . . . 6600 1 354 . 1 1 28 28 ALA HA H 1 3.990 0.02 . 1 . . . . . . . . 6600 1 355 . 1 1 28 28 ALA HB1 H 1 1.463 0.02 . 1 . . . . . . . . 6600 1 356 . 1 1 28 28 ALA HB2 H 1 1.463 0.02 . 1 . . . . . . . . 6600 1 357 . 1 1 28 28 ALA HB3 H 1 1.463 0.02 . 1 . . . . . . . . 6600 1 358 . 1 1 28 28 ALA C C 13 173.658 0.25 . 1 . . . . . . . . 6600 1 359 . 1 1 28 28 ALA CA C 13 51.029 0.25 . 1 . . . . . . . . 6600 1 360 . 1 1 28 28 ALA CB C 13 22.745 0.25 . 1 . . . . . . . . 6600 1 361 . 1 1 28 28 ALA N N 15 121.833 0.25 . 1 . . . . . . . . 6600 1 362 . 1 1 29 29 ILE H H 1 8.935 0.02 . 1 . . . . . . . . 6600 1 363 . 1 1 29 29 ILE HA H 1 4.521 0.02 . 1 . . . . . . . . 6600 1 364 . 1 1 29 29 ILE HB H 1 1.672 0.02 . 1 . . . . . . . . 6600 1 365 . 1 1 29 29 ILE HG12 H 1 1.455 0.02 . 1 . . . . . . . . 6600 1 366 . 1 1 29 29 ILE HG13 H 1 1.085 0.02 . 1 . . . . . . . . 6600 1 367 . 1 1 29 29 ILE HG21 H 1 0.986 0.02 . 1 . . . . . . . . 6600 1 368 . 1 1 29 29 ILE HG22 H 1 0.986 0.02 . 1 . . . . . . . . 6600 1 369 . 1 1 29 29 ILE HG23 H 1 0.986 0.02 . 1 . . . . . . . . 6600 1 370 . 1 1 29 29 ILE HD11 H 1 1.006 0.02 . 1 . . . . . . . . 6600 1 371 . 1 1 29 29 ILE HD12 H 1 1.006 0.02 . 1 . . . . . . . . 6600 1 372 . 1 1 29 29 ILE HD13 H 1 1.006 0.02 . 1 . . . . . . . . 6600 1 373 . 1 1 29 29 ILE C C 13 174.079 0.25 . 1 . . . . . . . . 6600 1 374 . 1 1 29 29 ILE CA C 13 61.025 0.25 . 1 . . . . . . . . 6600 1 375 . 1 1 29 29 ILE CB C 13 42.144 0.25 . 1 . . . . . . . . 6600 1 376 . 1 1 29 29 ILE CG1 C 13 27.449 0.25 . 2 . . . . . . . . 6600 1 377 . 1 1 29 29 ILE CG2 C 13 18.317 0.25 . 1 . . . . . . . . 6600 1 378 . 1 1 29 29 ILE CD1 C 13 13.236 0.25 . 1 . . . . . . . . 6600 1 379 . 1 1 29 29 ILE N N 15 117.721 0.25 . 1 . . . . . . . . 6600 1 380 . 1 1 30 30 LEU H H 1 9.268 0.02 . 1 . . . . . . . . 6600 1 381 . 1 1 30 30 LEU HA H 1 4.872 0.02 . 1 . . . . . . . . 6600 1 382 . 1 1 30 30 LEU HB2 H 1 1.334 0.02 . 2 . . . . . . . . 6600 1 383 . 1 1 30 30 LEU HB3 H 1 1.750 0.02 . 2 . . . . . . . . 6600 1 384 . 1 1 30 30 LEU HG H 1 0.573 0.02 . 1 . . . . . . . . 6600 1 385 . 1 1 30 30 LEU HD11 H 1 0.534 0.02 . 1 . . . . . . . . 6600 1 386 . 1 1 30 30 LEU HD12 H 1 0.534 0.02 . 1 . . . . . . . . 6600 1 387 . 1 1 30 30 LEU HD13 H 1 0.534 0.02 . 1 . . . . . . . . 6600 1 388 . 1 1 30 30 LEU HD21 H 1 0.534 0.02 . 1 . . . . . . . . 6600 1 389 . 1 1 30 30 LEU HD22 H 1 0.534 0.02 . 1 . . . . . . . . 6600 1 390 . 1 1 30 30 LEU HD23 H 1 0.534 0.02 . 1 . . . . . . . . 6600 1 391 . 1 1 30 30 LEU C C 13 174.434 0.25 . 1 . . . . . . . . 6600 1 392 . 1 1 30 30 LEU CA C 13 53.050 0.25 . 1 . . . . . . . . 6600 1 393 . 1 1 30 30 LEU CB C 13 46.382 0.25 . 1 . . . . . . . . 6600 1 394 . 1 1 30 30 LEU CG C 13 26.295 0.25 . 1 . . . . . . . . 6600 1 395 . 1 1 30 30 LEU CD1 C 13 25.080 0.25 . 1 . . . . . . . . 6600 1 396 . 1 1 30 30 LEU CD2 C 13 25.080 0.25 . 1 . . . . . . . . 6600 1 397 . 1 1 30 30 LEU N N 15 130.579 0.25 . 1 . . . . . . . . 6600 1 398 . 1 1 31 31 GLU H H 1 9.493 0.02 . 1 . . . . . . . . 6600 1 399 . 1 1 31 31 GLU HA H 1 5.236 0.02 . 1 . . . . . . . . 6600 1 400 . 1 1 31 31 GLU HB2 H 1 1.452 0.02 . 2 . . . . . . . . 6600 1 401 . 1 1 31 31 GLU HB3 H 1 2.124 0.02 . 2 . . . . . . . . 6600 1 402 . 1 1 31 31 GLU HG2 H 1 1.622 0.02 . 2 . . . . . . . . 6600 1 403 . 1 1 31 31 GLU HG3 H 1 1.939 0.02 . 2 . . . . . . . . 6600 1 404 . 1 1 31 31 GLU C C 13 175.047 0.25 . 1 . . . . . . . . 6600 1 405 . 1 1 31 31 GLU CA C 13 55.036 0.25 . 1 . . . . . . . . 6600 1 406 . 1 1 31 31 GLU CB C 13 31.558 0.25 . 1 . . . . . . . . 6600 1 407 . 1 1 31 31 GLU CG C 13 36.103 0.25 . 1 . . . . . . . . 6600 1 408 . 1 1 31 31 GLU N N 15 125.928 0.25 . 1 . . . . . . . . 6600 1 409 . 1 1 32 32 SER H H 1 8.561 0.02 . 1 . . . . . . . . 6600 1 410 . 1 1 32 32 SER HA H 1 4.691 0.02 . 1 . . . . . . . . 6600 1 411 . 1 1 32 32 SER HB2 H 1 3.685 0.02 . 2 . . . . . . . . 6600 1 412 . 1 1 32 32 SER HB3 H 1 3.541 0.02 . 2 . . . . . . . . 6600 1 413 . 1 1 32 32 SER C C 13 174.866 0.25 . 1 . . . . . . . . 6600 1 414 . 1 1 32 32 SER CA C 13 56.962 0.25 . 1 . . . . . . . . 6600 1 415 . 1 1 32 32 SER CB C 13 64.137 0.25 . 1 . . . . . . . . 6600 1 416 . 1 1 32 32 SER N N 15 120.964 0.25 . 1 . . . . . . . . 6600 1 417 . 1 1 33 33 MET H H 1 9.389 0.02 . 1 . . . . . . . . 6600 1 418 . 1 1 33 33 MET HA H 1 4.078 0.02 . 1 . . . . . . . . 6600 1 419 . 1 1 33 33 MET HB2 H 1 2.193 0.02 . 1 . . . . . . . . 6600 1 420 . 1 1 33 33 MET HB3 H 1 2.193 0.02 . 1 . . . . . . . . 6600 1 421 . 1 1 33 33 MET HG2 H 1 2.676 0.02 . 2 . . . . . . . . 6600 1 422 . 1 1 33 33 MET HG3 H 1 2.545 0.02 . 2 . . . . . . . . 6600 1 423 . 1 1 33 33 MET HE1 H 1 2.101 0.02 . 1 . . . . . . . . 6600 1 424 . 1 1 33 33 MET HE2 H 1 2.101 0.02 . 1 . . . . . . . . 6600 1 425 . 1 1 33 33 MET HE3 H 1 2.101 0.02 . 1 . . . . . . . . 6600 1 426 . 1 1 33 33 MET C C 13 175.517 0.25 . 1 . . . . . . . . 6600 1 427 . 1 1 33 33 MET CA C 13 56.352 0.25 . 1 . . . . . . . . 6600 1 428 . 1 1 33 33 MET CB C 13 29.626 0.25 . 1 . . . . . . . . 6600 1 429 . 1 1 33 33 MET CG C 13 32.406 0.25 . 1 . . . . . . . . 6600 1 430 . 1 1 33 33 MET CE C 13 16.810 0.25 . 1 . . . . . . . . 6600 1 431 . 1 1 33 33 MET N N 15 126.620 0.25 . 1 . . . . . . . . 6600 1 432 . 1 1 34 34 LYS H H 1 9.088 0.02 . 1 . . . . . . . . 6600 1 433 . 1 1 34 34 LYS HA H 1 3.666 0.02 . 1 . . . . . . . . 6600 1 434 . 1 1 34 34 LYS HB2 H 1 2.195 0.02 . 2 . . . . . . . . 6600 1 435 . 1 1 34 34 LYS HB3 H 1 1.945 0.02 . 2 . . . . . . . . 6600 1 436 . 1 1 34 34 LYS HG2 H 1 1.349 0.02 . 2 . . . . . . . . 6600 1 437 . 1 1 34 34 LYS HG3 H 1 1.283 0.02 . 2 . . . . . . . . 6600 1 438 . 1 1 34 34 LYS HD2 H 1 1.625 0.02 . 2 . . . . . . . . 6600 1 439 . 1 1 34 34 LYS HD3 H 1 1.582 0.02 . 2 . . . . . . . . 6600 1 440 . 1 1 34 34 LYS HE2 H 1 2.924 0.02 . 1 . . . . . . . . 6600 1 441 . 1 1 34 34 LYS HE3 H 1 2.924 0.02 . 1 . . . . . . . . 6600 1 442 . 1 1 34 34 LYS C C 13 175.623 0.25 . 1 . . . . . . . . 6600 1 443 . 1 1 34 34 LYS CA C 13 57.772 0.25 . 1 . . . . . . . . 6600 1 444 . 1 1 34 34 LYS CB C 13 29.626 0.25 . 1 . . . . . . . . 6600 1 445 . 1 1 34 34 LYS CG C 13 25.220 0.25 . 1 . . . . . . . . 6600 1 446 . 1 1 34 34 LYS CD C 13 28.698 0.25 . 1 . . . . . . . . 6600 1 447 . 1 1 34 34 LYS CE C 13 41.955 0.25 . 1 . . . . . . . . 6600 1 448 . 1 1 34 34 LYS N N 15 109.503 0.25 . 1 . . . . . . . . 6600 1 449 . 1 1 35 35 MET H H 1 8.016 0.02 . 1 . . . . . . . . 6600 1 450 . 1 1 35 35 MET HA H 1 4.601 0.02 . 1 . . . . . . . . 6600 1 451 . 1 1 35 35 MET HB2 H 1 2.178 0.02 . 2 . . . . . . . . 6600 1 452 . 1 1 35 35 MET HB3 H 1 2.010 0.02 . 2 . . . . . . . . 6600 1 453 . 1 1 35 35 MET HG2 H 1 2.590 0.02 . 2 . . . . . . . . 6600 1 454 . 1 1 35 35 MET HG3 H 1 2.537 0.02 . 2 . . . . . . . . 6600 1 455 . 1 1 35 35 MET HE1 H 1 2.123 0.02 . 1 . . . . . . . . 6600 1 456 . 1 1 35 35 MET HE2 H 1 2.123 0.02 . 1 . . . . . . . . 6600 1 457 . 1 1 35 35 MET HE3 H 1 2.123 0.02 . 1 . . . . . . . . 6600 1 458 . 1 1 35 35 MET C C 13 174.772 0.25 . 1 . . . . . . . . 6600 1 459 . 1 1 35 35 MET CA C 13 54.563 0.25 . 1 . . . . . . . . 6600 1 460 . 1 1 35 35 MET CB C 13 34.471 0.25 . 1 . . . . . . . . 6600 1 461 . 1 1 35 35 MET CG C 13 31.757 0.25 . 1 . . . . . . . . 6600 1 462 . 1 1 35 35 MET CE C 13 16.891 0.25 . 1 . . . . . . . . 6600 1 463 . 1 1 35 35 MET N N 15 120.295 0.25 . 1 . . . . . . . . 6600 1 464 . 1 1 36 36 GLU H H 1 8.308 0.02 . 1 . . . . . . . . 6600 1 465 . 1 1 36 36 GLU HA H 1 4.654 0.02 . 1 . . . . . . . . 6600 1 466 . 1 1 36 36 GLU HB2 H 1 1.842 0.02 . 2 . . . . . . . . 6600 1 467 . 1 1 36 36 GLU HB3 H 1 1.773 0.02 . 2 . . . . . . . . 6600 1 468 . 1 1 36 36 GLU HG2 H 1 1.973 0.02 . 2 . . . . . . . . 6600 1 469 . 1 1 36 36 GLU HG3 H 1 1.654 0.02 . 2 . . . . . . . . 6600 1 470 . 1 1 36 36 GLU C C 13 176.423 0.25 . 1 . . . . . . . . 6600 1 471 . 1 1 36 36 GLU CA C 13 55.860 0.25 . 1 . . . . . . . . 6600 1 472 . 1 1 36 36 GLU CB C 13 30.435 0.25 . 1 . . . . . . . . 6600 1 473 . 1 1 36 36 GLU CG C 13 36.256 0.25 . 1 . . . . . . . . 6600 1 474 . 1 1 36 36 GLU N N 15 121.505 0.25 . 1 . . . . . . . . 6600 1 475 . 1 1 37 37 ILE H H 1 9.547 0.02 . 1 . . . . . . . . 6600 1 476 . 1 1 37 37 ILE HA H 1 4.646 0.02 . 1 . . . . . . . . 6600 1 477 . 1 1 37 37 ILE HB H 1 1.864 0.02 . 1 . . . . . . . . 6600 1 478 . 1 1 37 37 ILE HG12 H 1 1.416 0.02 . 1 . . . . . . . . 6600 1 479 . 1 1 37 37 ILE HG13 H 1 1.148 0.02 . 1 . . . . . . . . 6600 1 480 . 1 1 37 37 ILE HG21 H 1 0.910 0.02 . 1 . . . . . . . . 6600 1 481 . 1 1 37 37 ILE HG22 H 1 0.910 0.02 . 1 . . . . . . . . 6600 1 482 . 1 1 37 37 ILE HG23 H 1 0.910 0.02 . 1 . . . . . . . . 6600 1 483 . 1 1 37 37 ILE HD11 H 1 0.816 0.02 . 1 . . . . . . . . 6600 1 484 . 1 1 37 37 ILE HD12 H 1 0.816 0.02 . 1 . . . . . . . . 6600 1 485 . 1 1 37 37 ILE HD13 H 1 0.816 0.02 . 1 . . . . . . . . 6600 1 486 . 1 1 37 37 ILE CA C 13 57.890 0.25 . 1 . . . . . . . . 6600 1 487 . 1 1 37 37 ILE CB C 13 40.983 0.25 . 1 . . . . . . . . 6600 1 488 . 1 1 37 37 ILE CG1 C 13 27.226 0.25 . 2 . . . . . . . . 6600 1 489 . 1 1 37 37 ILE CG2 C 13 17.220 0.25 . 1 . . . . . . . . 6600 1 490 . 1 1 37 37 ILE CD1 C 13 13.712 0.25 . 1 . . . . . . . . 6600 1 491 . 1 1 37 37 ILE N N 15 126.929 0.25 . 1 . . . . . . . . 6600 1 492 . 1 1 38 38 PRO HA H 1 4.670 0.02 . 1 . . . . . . . . 6600 1 493 . 1 1 38 38 PRO HB2 H 1 2.469 0.02 . 2 . . . . . . . . 6600 1 494 . 1 1 38 38 PRO HB3 H 1 1.805 0.02 . 2 . . . . . . . . 6600 1 495 . 1 1 38 38 PRO HG2 H 1 2.156 0.02 . 2 . . . . . . . . 6600 1 496 . 1 1 38 38 PRO HG3 H 1 2.026 0.02 . 2 . . . . . . . . 6600 1 497 . 1 1 38 38 PRO HD2 H 1 3.939 0.02 . 2 . . . . . . . . 6600 1 498 . 1 1 38 38 PRO HD3 H 1 3.800 0.02 . 2 . . . . . . . . 6600 1 499 . 1 1 38 38 PRO C C 13 176.166 0.25 . 1 . . . . . . . . 6600 1 500 . 1 1 38 38 PRO CA C 13 63.210 0.25 . 1 . . . . . . . . 6600 1 501 . 1 1 38 38 PRO CB C 13 32.745 0.25 . 1 . . . . . . . . 6600 1 502 . 1 1 38 38 PRO CG C 13 27.647 0.25 . 1 . . . . . . . . 6600 1 503 . 1 1 38 38 PRO CD C 13 51.298 0.25 . 1 . . . . . . . . 6600 1 504 . 1 1 39 39 ILE H H 1 8.723 0.02 . 1 . . . . . . . . 6600 1 505 . 1 1 39 39 ILE HA H 1 4.325 0.02 . 1 . . . . . . . . 6600 1 506 . 1 1 39 39 ILE HB H 1 1.613 0.02 . 1 . . . . . . . . 6600 1 507 . 1 1 39 39 ILE HG12 H 1 1.364 0.02 . 1 . . . . . . . . 6600 1 508 . 1 1 39 39 ILE HG13 H 1 1.268 0.02 . 1 . . . . . . . . 6600 1 509 . 1 1 39 39 ILE HG21 H 1 0.700 0.02 . 1 . . . . . . . . 6600 1 510 . 1 1 39 39 ILE HG22 H 1 0.700 0.02 . 1 . . . . . . . . 6600 1 511 . 1 1 39 39 ILE HG23 H 1 0.700 0.02 . 1 . . . . . . . . 6600 1 512 . 1 1 39 39 ILE HD11 H 1 0.734 0.02 . 1 . . . . . . . . 6600 1 513 . 1 1 39 39 ILE HD12 H 1 0.734 0.02 . 1 . . . . . . . . 6600 1 514 . 1 1 39 39 ILE HD13 H 1 0.734 0.02 . 1 . . . . . . . . 6600 1 515 . 1 1 39 39 ILE C C 13 175.261 0.25 . 1 . . . . . . . . 6600 1 516 . 1 1 39 39 ILE CA C 13 60.007 0.25 . 1 . . . . . . . . 6600 1 517 . 1 1 39 39 ILE CB C 13 37.494 0.25 . 1 . . . . . . . . 6600 1 518 . 1 1 39 39 ILE CG1 C 13 26.172 0.25 . 2 . . . . . . . . 6600 1 519 . 1 1 39 39 ILE CG2 C 13 16.994 0.25 . 1 . . . . . . . . 6600 1 520 . 1 1 39 39 ILE CD1 C 13 13.289 0.25 . 1 . . . . . . . . 6600 1 521 . 1 1 39 39 ILE N N 15 124.057 0.25 . 1 . . . . . . . . 6600 1 522 . 1 1 40 40 VAL H H 1 8.733 0.02 . 1 . . . . . . . . 6600 1 523 . 1 1 40 40 VAL HA H 1 4.871 0.02 . 1 . . . . . . . . 6600 1 524 . 1 1 40 40 VAL HB H 1 1.831 0.02 . 1 . . . . . . . . 6600 1 525 . 1 1 40 40 VAL HG11 H 1 0.789 0.02 . 2 . . . . . . . . 6600 1 526 . 1 1 40 40 VAL HG12 H 1 0.789 0.02 . 2 . . . . . . . . 6600 1 527 . 1 1 40 40 VAL HG13 H 1 0.789 0.02 . 2 . . . . . . . . 6600 1 528 . 1 1 40 40 VAL HG21 H 1 0.843 0.02 . 2 . . . . . . . . 6600 1 529 . 1 1 40 40 VAL HG22 H 1 0.843 0.02 . 2 . . . . . . . . 6600 1 530 . 1 1 40 40 VAL HG23 H 1 0.843 0.02 . 2 . . . . . . . . 6600 1 531 . 1 1 40 40 VAL C C 13 175.936 0.25 . 1 . . . . . . . . 6600 1 532 . 1 1 40 40 VAL CA C 13 59.920 0.25 . 1 . . . . . . . . 6600 1 533 . 1 1 40 40 VAL CB C 13 34.100 0.25 . 1 . . . . . . . . 6600 1 534 . 1 1 40 40 VAL CG1 C 13 21.026 0.25 . 1 . . . . . . . . 6600 1 535 . 1 1 40 40 VAL CG2 C 13 20.392 0.25 . 1 . . . . . . . . 6600 1 536 . 1 1 40 40 VAL N N 15 126.245 0.25 . 1 . . . . . . . . 6600 1 537 . 1 1 41 41 ALA H H 1 8.735 0.02 . 1 . . . . . . . . 6600 1 538 . 1 1 41 41 ALA HA H 1 4.247 0.02 . 1 . . . . . . . . 6600 1 539 . 1 1 41 41 ALA HB1 H 1 1.572 0.02 . 1 . . . . . . . . 6600 1 540 . 1 1 41 41 ALA HB2 H 1 1.572 0.02 . 1 . . . . . . . . 6600 1 541 . 1 1 41 41 ALA HB3 H 1 1.572 0.02 . 1 . . . . . . . . 6600 1 542 . 1 1 41 41 ALA C C 13 177.865 0.25 . 1 . . . . . . . . 6600 1 543 . 1 1 41 41 ALA CA C 13 52.817 0.25 . 1 . . . . . . . . 6600 1 544 . 1 1 41 41 ALA CB C 13 20.030 0.25 . 1 . . . . . . . . 6600 1 545 . 1 1 41 41 ALA N N 15 127.056 0.25 . 1 . . . . . . . . 6600 1 546 . 1 1 42 42 ASP H H 1 8.948 0.02 . 1 . . . . . . . . 6600 1 547 . 1 1 42 42 ASP HA H 1 4.738 0.02 . 1 . . . . . . . . 6600 1 548 . 1 1 42 42 ASP HB2 H 1 2.932 0.02 . 2 . . . . . . . . 6600 1 549 . 1 1 42 42 ASP HB3 H 1 2.736 0.02 . 2 . . . . . . . . 6600 1 550 . 1 1 42 42 ASP C C 13 174.678 0.25 . 1 . . . . . . . . 6600 1 551 . 1 1 42 42 ASP CA C 13 53.617 0.25 . 1 . . . . . . . . 6600 1 552 . 1 1 42 42 ASP CB C 13 40.772 0.25 . 1 . . . . . . . . 6600 1 553 . 1 1 42 42 ASP N N 15 122.506 0.25 . 1 . . . . . . . . 6600 1 554 . 1 1 43 43 ARG H H 1 7.474 0.02 . 1 . . . . . . . . 6600 1 555 . 1 1 43 43 ARG HA H 1 4.501 0.02 . 1 . . . . . . . . 6600 1 556 . 1 1 43 43 ARG HB2 H 1 1.900 0.02 . 2 . . . . . . . . 6600 1 557 . 1 1 43 43 ARG HB3 H 1 1.699 0.02 . 2 . . . . . . . . 6600 1 558 . 1 1 43 43 ARG HG2 H 1 1.537 0.02 . 2 . . . . . . . . 6600 1 559 . 1 1 43 43 ARG HG3 H 1 1.366 0.02 . 2 . . . . . . . . 6600 1 560 . 1 1 43 43 ARG HD2 H 1 3.141 0.02 . 1 . . . . . . . . 6600 1 561 . 1 1 43 43 ARG HD3 H 1 3.141 0.02 . 1 . . . . . . . . 6600 1 562 . 1 1 43 43 ARG C C 13 172.289 0.25 . 1 . . . . . . . . 6600 1 563 . 1 1 43 43 ARG CA C 13 54.445 0.25 . 1 . . . . . . . . 6600 1 564 . 1 1 43 43 ARG CB C 13 32.693 0.25 . 1 . . . . . . . . 6600 1 565 . 1 1 43 43 ARG CG C 13 25.040 0.25 . 1 . . . . . . . . 6600 1 566 . 1 1 43 43 ARG CD C 13 43.541 0.25 . 1 . . . . . . . . 6600 1 567 . 1 1 43 43 ARG N N 15 115.468 0.25 . 1 . . . . . . . . 6600 1 568 . 1 1 44 44 SER H H 1 8.211 0.02 . 1 . . . . . . . . 6600 1 569 . 1 1 44 44 SER HA H 1 4.757 0.02 . 1 . . . . . . . . 6600 1 570 . 1 1 44 44 SER HB2 H 1 3.943 0.02 . 2 . . . . . . . . 6600 1 571 . 1 1 44 44 SER HB3 H 1 4.037 0.02 . 2 . . . . . . . . 6600 1 572 . 1 1 44 44 SER C C 13 174.188 0.25 . 1 . . . . . . . . 6600 1 573 . 1 1 44 44 SER CA C 13 56.181 0.25 . 1 . . . . . . . . 6600 1 574 . 1 1 44 44 SER CB C 13 65.087 0.25 . 1 . . . . . . . . 6600 1 575 . 1 1 44 44 SER N N 15 112.250 0.25 . 1 . . . . . . . . 6600 1 576 . 1 1 45 45 GLY H H 1 8.212 0.02 . 1 . . . . . . . . 6600 1 577 . 1 1 45 45 GLY HA2 H 1 4.203 0.02 . 2 . . . . . . . . 6600 1 578 . 1 1 45 45 GLY HA3 H 1 4.038 0.02 . 2 . . . . . . . . 6600 1 579 . 1 1 45 45 GLY C C 13 170.309 0.25 . 1 . . . . . . . . 6600 1 580 . 1 1 45 45 GLY CA C 13 45.561 0.25 . 1 . . . . . . . . 6600 1 581 . 1 1 45 45 GLY N N 15 107.822 0.25 . 1 . . . . . . . . 6600 1 582 . 1 1 46 46 ILE H H 1 8.513 0.02 . 1 . . . . . . . . 6600 1 583 . 1 1 46 46 ILE HA H 1 4.771 0.02 . 1 . . . . . . . . 6600 1 584 . 1 1 46 46 ILE HB H 1 1.654 0.02 . 1 . . . . . . . . 6600 1 585 . 1 1 46 46 ILE HG12 H 1 1.505 0.02 . 1 . . . . . . . . 6600 1 586 . 1 1 46 46 ILE HG13 H 1 1.085 0.02 . 1 . . . . . . . . 6600 1 587 . 1 1 46 46 ILE HG21 H 1 0.701 0.02 . 1 . . . . . . . . 6600 1 588 . 1 1 46 46 ILE HG22 H 1 0.701 0.02 . 1 . . . . . . . . 6600 1 589 . 1 1 46 46 ILE HG23 H 1 0.701 0.02 . 1 . . . . . . . . 6600 1 590 . 1 1 46 46 ILE HD11 H 1 0.812 0.02 . 1 . . . . . . . . 6600 1 591 . 1 1 46 46 ILE HD12 H 1 0.812 0.02 . 1 . . . . . . . . 6600 1 592 . 1 1 46 46 ILE HD13 H 1 0.812 0.02 . 1 . . . . . . . . 6600 1 593 . 1 1 46 46 ILE C C 13 176.671 0.25 . 1 . . . . . . . . 6600 1 594 . 1 1 46 46 ILE CA C 13 58.895 0.25 . 1 . . . . . . . . 6600 1 595 . 1 1 46 46 ILE CB C 13 39.438 0.25 . 1 . . . . . . . . 6600 1 596 . 1 1 46 46 ILE CG1 C 13 28.04 0.25 . 2 . . . . . . . . 6600 1 597 . 1 1 46 46 ILE CG2 C 13 16.994 0.25 . 1 . . . . . . . . 6600 1 598 . 1 1 46 46 ILE CD1 C 13 12.441 0.25 . 1 . . . . . . . . 6600 1 599 . 1 1 46 46 ILE N N 15 120.125 0.25 . 1 . . . . . . . . 6600 1 600 . 1 1 47 47 VAL H H 1 9.106 0.02 . 1 . . . . . . . . 6600 1 601 . 1 1 47 47 VAL HA H 1 3.696 0.02 . 1 . . . . . . . . 6600 1 602 . 1 1 47 47 VAL HB H 1 2.346 0.02 . 1 . . . . . . . . 6600 1 603 . 1 1 47 47 VAL HG11 H 1 0.665 0.02 . 2 . . . . . . . . 6600 1 604 . 1 1 47 47 VAL HG12 H 1 0.665 0.02 . 2 . . . . . . . . 6600 1 605 . 1 1 47 47 VAL HG13 H 1 0.665 0.02 . 2 . . . . . . . . 6600 1 606 . 1 1 47 47 VAL HG21 H 1 0.927 0.02 . 2 . . . . . . . . 6600 1 607 . 1 1 47 47 VAL HG22 H 1 0.927 0.02 . 2 . . . . . . . . 6600 1 608 . 1 1 47 47 VAL HG23 H 1 0.927 0.02 . 2 . . . . . . . . 6600 1 609 . 1 1 47 47 VAL C C 13 175.625 0.25 . 1 . . . . . . . . 6600 1 610 . 1 1 47 47 VAL CA C 13 64.505 0.25 . 1 . . . . . . . . 6600 1 611 . 1 1 47 47 VAL CB C 13 31.902 0.25 . 1 . . . . . . . . 6600 1 612 . 1 1 47 47 VAL CG1 C 13 22.910 0.25 . 1 . . . . . . . . 6600 1 613 . 1 1 47 47 VAL CG2 C 13 22.910 0.25 . 1 . . . . . . . . 6600 1 614 . 1 1 47 47 VAL N N 15 126.048 0.25 . 1 . . . . . . . . 6600 1 615 . 1 1 48 48 LYS H H 1 9.559 0.02 . 1 . . . . . . . . 6600 1 616 . 1 1 48 48 LYS HA H 1 4.375 0.02 . 1 . . . . . . . . 6600 1 617 . 1 1 48 48 LYS HB2 H 1 1.642 0.02 . 2 . . . . . . . . 6600 1 618 . 1 1 48 48 LYS HB3 H 1 1.515 0.02 . 2 . . . . . . . . 6600 1 619 . 1 1 48 48 LYS HG2 H 1 1.435 0.02 . 2 . . . . . . . . 6600 1 620 . 1 1 48 48 LYS HG3 H 1 1.321 0.02 . 2 . . . . . . . . 6600 1 621 . 1 1 48 48 LYS HD2 H 1 1.662 0.02 . 2 . . . . . . . . 6600 1 622 . 1 1 48 48 LYS HD3 H 1 1.565 0.02 . 2 . . . . . . . . 6600 1 623 . 1 1 48 48 LYS HE2 H 1 2.968 0.02 . 1 . . . . . . . . 6600 1 624 . 1 1 48 48 LYS HE3 H 1 2.968 0.02 . 1 . . . . . . . . 6600 1 625 . 1 1 48 48 LYS C C 13 175.597 0.25 . 1 . . . . . . . . 6600 1 626 . 1 1 48 48 LYS CA C 13 57.413 0.25 . 1 . . . . . . . . 6600 1 627 . 1 1 48 48 LYS CB C 13 34.096 0.25 . 1 . . . . . . . . 6600 1 628 . 1 1 48 48 LYS CG C 13 24.680 0.25 . 1 . . . . . . . . 6600 1 629 . 1 1 48 48 LYS CD C 13 29.459 0.25 . 1 . . . . . . . . 6600 1 630 . 1 1 48 48 LYS CE C 13 41.620 0.25 . 1 . . . . . . . . 6600 1 631 . 1 1 48 48 LYS N N 15 133.407 0.25 . 1 . . . . . . . . 6600 1 632 . 1 1 49 49 GLU H H 1 7.373 0.02 . 1 . . . . . . . . 6600 1 633 . 1 1 49 49 GLU HA H 1 4.431 0.02 . 1 . . . . . . . . 6600 1 634 . 1 1 49 49 GLU HB2 H 1 1.931 0.02 . 2 . . . . . . . . 6600 1 635 . 1 1 49 49 GLU HB3 H 1 1.772 0.02 . 2 . . . . . . . . 6600 1 636 . 1 1 49 49 GLU HG2 H 1 2.189 0.02 . 2 . . . . . . . . 6600 1 637 . 1 1 49 49 GLU HG3 H 1 1.930 0.02 . 2 . . . . . . . . 6600 1 638 . 1 1 49 49 GLU C C 13 173.797 0.25 . 1 . . . . . . . . 6600 1 639 . 1 1 49 49 GLU CA C 13 55.804 0.25 . 1 . . . . . . . . 6600 1 640 . 1 1 49 49 GLU CB C 13 34.291 0.25 . 1 . . . . . . . . 6600 1 641 . 1 1 49 49 GLU CG C 13 36.220 0.25 . 1 . . . . . . . . 6600 1 642 . 1 1 49 49 GLU N N 15 114.606 0.25 . 1 . . . . . . . . 6600 1 643 . 1 1 50 50 VAL H H 1 9.183 0.02 . 1 . . . . . . . . 6600 1 644 . 1 1 50 50 VAL HA H 1 4.320 0.02 . 1 . . . . . . . . 6600 1 645 . 1 1 50 50 VAL HB H 1 2.123 0.02 . 1 . . . . . . . . 6600 1 646 . 1 1 50 50 VAL HG11 H 1 1.155 0.02 . 2 . . . . . . . . 6600 1 647 . 1 1 50 50 VAL HG12 H 1 1.155 0.02 . 2 . . . . . . . . 6600 1 648 . 1 1 50 50 VAL HG13 H 1 1.155 0.02 . 2 . . . . . . . . 6600 1 649 . 1 1 50 50 VAL HG21 H 1 0.812 0.02 . 2 . . . . . . . . 6600 1 650 . 1 1 50 50 VAL HG22 H 1 0.812 0.02 . 2 . . . . . . . . 6600 1 651 . 1 1 50 50 VAL HG23 H 1 0.812 0.02 . 2 . . . . . . . . 6600 1 652 . 1 1 50 50 VAL C C 13 176.616 0.25 . 1 . . . . . . . . 6600 1 653 . 1 1 50 50 VAL CA C 13 62.226 0.25 . 1 . . . . . . . . 6600 1 654 . 1 1 50 50 VAL CB C 13 31.458 0.25 . 1 . . . . . . . . 6600 1 655 . 1 1 50 50 VAL CG1 C 13 21.397 0.25 . 1 . . . . . . . . 6600 1 656 . 1 1 50 50 VAL CG2 C 13 21.639 0.25 . 1 . . . . . . . . 6600 1 657 . 1 1 50 50 VAL N N 15 126.911 0.25 . 1 . . . . . . . . 6600 1 658 . 1 1 51 51 LYS H H 1 8.770 0.02 . 1 . . . . . . . . 6600 1 659 . 1 1 51 51 LYS HA H 1 4.308 0.02 . 1 . . . . . . . . 6600 1 660 . 1 1 51 51 LYS HB2 H 1 1.758 0.02 . 2 . . . . . . . . 6600 1 661 . 1 1 51 51 LYS HB3 H 1 2.042 0.02 . 2 . . . . . . . . 6600 1 662 . 1 1 51 51 LYS HG2 H 1 1.198 0.02 . 2 . . . . . . . . 6600 1 663 . 1 1 51 51 LYS HG3 H 1 1.270 0.02 . 2 . . . . . . . . 6600 1 664 . 1 1 51 51 LYS HD2 H 1 1.524 0.02 . 1 . . . . . . . . 6600 1 665 . 1 1 51 51 LYS HD3 H 1 1.524 0.02 . 1 . . . . . . . . 6600 1 666 . 1 1 51 51 LYS HE2 H 1 2.812 0.02 . 2 . . . . . . . . 6600 1 667 . 1 1 51 51 LYS HE3 H 1 2.967 0.02 . 2 . . . . . . . . 6600 1 668 . 1 1 51 51 LYS C C 13 175.825 0.25 . 1 . . . . . . . . 6600 1 669 . 1 1 51 51 LYS CA C 13 56.730 0.25 . 1 . . . . . . . . 6600 1 670 . 1 1 51 51 LYS CB C 13 32.498 0.25 . 1 . . . . . . . . 6600 1 671 . 1 1 51 51 LYS CG C 13 24.855 0.25 . 1 . . . . . . . . 6600 1 672 . 1 1 51 51 LYS CD C 13 27.594 0.25 . 1 . . . . . . . . 6600 1 673 . 1 1 51 51 LYS CE C 13 41.587 0.25 . 1 . . . . . . . . 6600 1 674 . 1 1 51 51 LYS N N 15 124.539 0.25 . 1 . . . . . . . . 6600 1 675 . 1 1 52 52 LYS H H 1 7.025 0.02 . 1 . . . . . . . . 6600 1 676 . 1 1 52 52 LYS HA H 1 4.726 0.02 . 1 . . . . . . . . 6600 1 677 . 1 1 52 52 LYS HB2 H 1 1.364 0.02 . 2 . . . . . . . . 6600 1 678 . 1 1 52 52 LYS HB3 H 1 1.823 0.02 . 2 . . . . . . . . 6600 1 679 . 1 1 52 52 LYS HG2 H 1 1.491 0.02 . 2 . . . . . . . . 6600 1 680 . 1 1 52 52 LYS HG3 H 1 1.150 0.02 . 2 . . . . . . . . 6600 1 681 . 1 1 52 52 LYS HD2 H 1 1.626 0.02 . 2 . . . . . . . . 6600 1 682 . 1 1 52 52 LYS HD3 H 1 2.014 0.02 . 2 . . . . . . . . 6600 1 683 . 1 1 52 52 LYS HE2 H 1 2.958 0.02 . 1 . . . . . . . . 6600 1 684 . 1 1 52 52 LYS HE3 H 1 2.958 0.02 . 1 . . . . . . . . 6600 1 685 . 1 1 52 52 LYS C C 13 173.590 0.25 . 1 . . . . . . . . 6600 1 686 . 1 1 52 52 LYS CA C 13 52.571 0.25 . 1 . . . . . . . . 6600 1 687 . 1 1 52 52 LYS CB C 13 37.509 0.25 . 1 . . . . . . . . 6600 1 688 . 1 1 52 52 LYS CG C 13 24.249 0.25 . 1 . . . . . . . . 6600 1 689 . 1 1 52 52 LYS CD C 13 28.698 0.25 . 1 . . . . . . . . 6600 1 690 . 1 1 52 52 LYS CE C 13 42.442 0.25 . 1 . . . . . . . . 6600 1 691 . 1 1 52 52 LYS N N 15 115.109 0.25 . 1 . . . . . . . . 6600 1 692 . 1 1 53 53 LYS H H 1 8.855 0.02 . 1 . . . . . . . . 6600 1 693 . 1 1 53 53 LYS HA H 1 4.572 0.02 . 1 . . . . . . . . 6600 1 694 . 1 1 53 53 LYS HB2 H 1 1.724 0.02 . 1 . . . . . . . . 6600 1 695 . 1 1 53 53 LYS HB3 H 1 1.724 0.02 . 1 . . . . . . . . 6600 1 696 . 1 1 53 53 LYS HG2 H 1 1.479 0.02 . 2 . . . . . . . . 6600 1 697 . 1 1 53 53 LYS HG3 H 1 1.306 0.02 . 2 . . . . . . . . 6600 1 698 . 1 1 53 53 LYS HD2 H 1 1.667 0.02 . 1 . . . . . . . . 6600 1 699 . 1 1 53 53 LYS HD3 H 1 1.667 0.02 . 1 . . . . . . . . 6600 1 700 . 1 1 53 53 LYS HE2 H 1 3.049 0.02 . 1 . . . . . . . . 6600 1 701 . 1 1 53 53 LYS HE3 H 1 3.049 0.02 . 1 . . . . . . . . 6600 1 702 . 1 1 53 53 LYS C C 13 175.511 0.25 . 1 . . . . . . . . 6600 1 703 . 1 1 53 53 LYS CA C 13 53.917 0.25 . 1 . . . . . . . . 6600 1 704 . 1 1 53 53 LYS CB C 13 35.806 0.25 . 1 . . . . . . . . 6600 1 705 . 1 1 53 53 LYS CG C 13 24.049 0.25 . 1 . . . . . . . . 6600 1 706 . 1 1 53 53 LYS CD C 13 29.178 0.25 . 1 . . . . . . . . 6600 1 707 . 1 1 53 53 LYS CE C 13 42.307 0.25 . 1 . . . . . . . . 6600 1 708 . 1 1 53 53 LYS N N 15 118.519 0.25 . 1 . . . . . . . . 6600 1 709 . 1 1 54 54 GLU H H 1 8.497 0.02 . 1 . . . . . . . . 6600 1 710 . 1 1 54 54 GLU HA H 1 3.602 0.02 . 1 . . . . . . . . 6600 1 711 . 1 1 54 54 GLU HB2 H 1 1.846 0.02 . 1 . . . . . . . . 6600 1 712 . 1 1 54 54 GLU HB3 H 1 1.846 0.02 . 1 . . . . . . . . 6600 1 713 . 1 1 54 54 GLU HG2 H 1 2.291 0.02 . 2 . . . . . . . . 6600 1 714 . 1 1 54 54 GLU HG3 H 1 1.975 0.02 . 2 . . . . . . . . 6600 1 715 . 1 1 54 54 GLU C C 13 177.395 0.25 . 1 . . . . . . . . 6600 1 716 . 1 1 54 54 GLU CA C 13 58.717 0.25 . 1 . . . . . . . . 6600 1 717 . 1 1 54 54 GLU CB C 13 29.084 0.25 . 1 . . . . . . . . 6600 1 718 . 1 1 54 54 GLU CG C 13 37.457 0.25 . 1 . . . . . . . . 6600 1 719 . 1 1 54 54 GLU N N 15 119.568 0.25 . 1 . . . . . . . . 6600 1 720 . 1 1 55 55 GLY H H 1 9.303 0.02 . 1 . . . . . . . . 6600 1 721 . 1 1 55 55 GLY HA2 H 1 4.468 0.02 . 2 . . . . . . . . 6600 1 722 . 1 1 55 55 GLY HA3 H 1 3.754 0.02 . 2 . . . . . . . . 6600 1 723 . 1 1 55 55 GLY C C 13 174.867 0.25 . 1 . . . . . . . . 6600 1 724 . 1 1 55 55 GLY CA C 13 44.782 0.25 . 1 . . . . . . . . 6600 1 725 . 1 1 55 55 GLY N N 15 114.240 0.25 . 1 . . . . . . . . 6600 1 726 . 1 1 56 56 ASP H H 1 8.316 0.02 . 1 . . . . . . . . 6600 1 727 . 1 1 56 56 ASP HA H 1 4.651 0.02 . 1 . . . . . . . . 6600 1 728 . 1 1 56 56 ASP HB2 H 1 2.630 0.02 . 2 . . . . . . . . 6600 1 729 . 1 1 56 56 ASP HB3 H 1 2.888 0.02 . 2 . . . . . . . . 6600 1 730 . 1 1 56 56 ASP C C 13 175.682 0.25 . 1 . . . . . . . . 6600 1 731 . 1 1 56 56 ASP CA C 13 55.151 0.25 . 1 . . . . . . . . 6600 1 732 . 1 1 56 56 ASP CB C 13 41.246 0.25 . 1 . . . . . . . . 6600 1 733 . 1 1 56 56 ASP N N 15 122.136 0.25 . 1 . . . . . . . . 6600 1 734 . 1 1 57 57 PHE H H 1 8.693 0.02 . 1 . . . . . . . . 6600 1 735 . 1 1 57 57 PHE HA H 1 4.948 0.02 . 1 . . . . . . . . 6600 1 736 . 1 1 57 57 PHE HB2 H 1 3.126 0.02 . 2 . . . . . . . . 6600 1 737 . 1 1 57 57 PHE HB3 H 1 3.004 0.02 . 2 . . . . . . . . 6600 1 738 . 1 1 57 57 PHE HD1 H 1 7.185 0.02 . 1 . . . . . . . . 6600 1 739 . 1 1 57 57 PHE HD2 H 1 7.185 0.02 . 1 . . . . . . . . 6600 1 740 . 1 1 57 57 PHE HE1 H 1 7.307 0.02 . 1 . . . . . . . . 6600 1 741 . 1 1 57 57 PHE HE2 H 1 7.307 0.02 . 1 . . . . . . . . 6600 1 742 . 1 1 57 57 PHE HZ H 1 7.241 0.02 . 1 . . . . . . . . 6600 1 743 . 1 1 57 57 PHE C C 13 175.682 0.25 . 1 . . . . . . . . 6600 1 744 . 1 1 57 57 PHE CA C 13 58.419 0.25 . 1 . . . . . . . . 6600 1 745 . 1 1 57 57 PHE CB C 13 39.525 0.25 . 1 . . . . . . . . 6600 1 746 . 1 1 57 57 PHE CD1 C 13 131.928 0.25 . 1 . . . . . . . . 6600 1 747 . 1 1 57 57 PHE CD2 C 13 131.928 0.25 . 1 . . . . . . . . 6600 1 748 . 1 1 57 57 PHE CE1 C 13 131.561 0.25 . 1 . . . . . . . . 6600 1 749 . 1 1 57 57 PHE CE2 C 13 131.561 0.25 . 1 . . . . . . . . 6600 1 750 . 1 1 57 57 PHE CZ C 13 129.770 0.25 . 1 . . . . . . . . 6600 1 751 . 1 1 57 57 PHE N N 15 122.064 0.25 . 1 . . . . . . . . 6600 1 752 . 1 1 58 58 VAL H H 1 8.693 0.02 . 1 . . . . . . . . 6600 1 753 . 1 1 58 58 VAL HA H 1 4.497 0.02 . 1 . . . . . . . . 6600 1 754 . 1 1 58 58 VAL HB H 1 2.090 0.02 . 1 . . . . . . . . 6600 1 755 . 1 1 58 58 VAL HG11 H 1 0.788 0.02 . 2 . . . . . . . . 6600 1 756 . 1 1 58 58 VAL HG12 H 1 0.788 0.02 . 2 . . . . . . . . 6600 1 757 . 1 1 58 58 VAL HG13 H 1 0.788 0.02 . 2 . . . . . . . . 6600 1 758 . 1 1 58 58 VAL HG21 H 1 0.682 0.02 . 2 . . . . . . . . 6600 1 759 . 1 1 58 58 VAL HG22 H 1 0.682 0.02 . 2 . . . . . . . . 6600 1 760 . 1 1 58 58 VAL HG23 H 1 0.682 0.02 . 2 . . . . . . . . 6600 1 761 . 1 1 58 58 VAL C C 13 172.431 0.25 . 1 . . . . . . . . 6600 1 762 . 1 1 58 58 VAL CA C 13 59.128 0.25 . 1 . . . . . . . . 6600 1 763 . 1 1 58 58 VAL CB C 13 34.767 0.25 . 1 . . . . . . . . 6600 1 764 . 1 1 58 58 VAL CG1 C 13 22.780 0.25 . 1 . . . . . . . . 6600 1 765 . 1 1 58 58 VAL CG2 C 13 20.186 0.25 . 1 . . . . . . . . 6600 1 766 . 1 1 58 58 VAL N N 15 122.064 0.25 . 1 . . . . . . . . 6600 1 767 . 1 1 59 59 ASN H H 1 8.508 0.02 . 1 . . . . . . . . 6600 1 768 . 1 1 59 59 ASN HA H 1 4.725 0.02 . 1 . . . . . . . . 6600 1 769 . 1 1 59 59 ASN HB2 H 1 2.621 0.02 . 2 . . . . . . . . 6600 1 770 . 1 1 59 59 ASN HB3 H 1 2.546 0.02 . 2 . . . . . . . . 6600 1 771 . 1 1 59 59 ASN HD21 H 1 8.002 0.02 . 2 . . . . . . . . 6600 1 772 . 1 1 59 59 ASN HD22 H 1 7.072 0.02 . 2 . . . . . . . . 6600 1 773 . 1 1 59 59 ASN C C 13 174.657 0.25 . 1 . . . . . . . . 6600 1 774 . 1 1 59 59 ASN CA C 13 51.321 0.25 . 1 . . . . . . . . 6600 1 775 . 1 1 59 59 ASN CB C 13 41.974 0.25 . 1 . . . . . . . . 6600 1 776 . 1 1 59 59 ASN CG C 13 177.34 0.25 . 1 . . . . . . . . 6600 1 777 . 1 1 59 59 ASN N N 15 118.780 0.25 . 1 . . . . . . . . 6600 1 778 . 1 1 59 59 ASN ND2 N 15 114.910 0.25 . 1 . . . . . . . . 6600 1 779 . 1 1 60 60 GLU H H 1 8.493 0.02 . 1 . . . . . . . . 6600 1 780 . 1 1 60 60 GLU HA H 1 3.426 0.02 . 1 . . . . . . . . 6600 1 781 . 1 1 60 60 GLU HB2 H 1 1.787 0.02 . 2 . . . . . . . . 6600 1 782 . 1 1 60 60 GLU HB3 H 1 1.843 0.02 . 2 . . . . . . . . 6600 1 783 . 1 1 60 60 GLU HG2 H 1 2.131 0.02 . 2 . . . . . . . . 6600 1 784 . 1 1 60 60 GLU HG3 H 1 2.082 0.02 . 2 . . . . . . . . 6600 1 785 . 1 1 60 60 GLU C C 13 177.539 0.25 . 1 . . . . . . . . 6600 1 786 . 1 1 60 60 GLU CA C 13 58.375 0.25 . 1 . . . . . . . . 6600 1 787 . 1 1 60 60 GLU CB C 13 29.046 0.25 . 1 . . . . . . . . 6600 1 788 . 1 1 60 60 GLU CG C 13 35.636 0.25 . 1 . . . . . . . . 6600 1 789 . 1 1 60 60 GLU N N 15 119.154 0.25 . 1 . . . . . . . . 6600 1 790 . 1 1 61 61 GLY H H 1 9.075 0.02 . 1 . . . . . . . . 6600 1 791 . 1 1 61 61 GLY HA2 H 1 4.353 0.02 . 2 . . . . . . . . 6600 1 792 . 1 1 61 61 GLY HA3 H 1 3.570 0.02 . 2 . . . . . . . . 6600 1 793 . 1 1 61 61 GLY C C 13 175.040 0.25 . 1 . . . . . . . . 6600 1 794 . 1 1 61 61 GLY CA C 13 44.876 0.25 . 1 . . . . . . . . 6600 1 795 . 1 1 61 61 GLY N N 15 115.286 0.25 . 1 . . . . . . . . 6600 1 796 . 1 1 62 62 ASP H H 1 8.031 0.02 . 1 . . . . . . . . 6600 1 797 . 1 1 62 62 ASP HA H 1 4.528 0.02 . 1 . . . . . . . . 6600 1 798 . 1 1 62 62 ASP HB2 H 1 2.268 0.02 . 2 . . . . . . . . 6600 1 799 . 1 1 62 62 ASP HB3 H 1 2.822 0.02 . 2 . . . . . . . . 6600 1 800 . 1 1 62 62 ASP C C 13 175.717 0.25 . 1 . . . . . . . . 6600 1 801 . 1 1 62 62 ASP CA C 13 55.120 0.25 . 1 . . . . . . . . 6600 1 802 . 1 1 62 62 ASP CB C 13 41.224 0.25 . 1 . . . . . . . . 6600 1 803 . 1 1 62 62 ASP N N 15 122.180 0.25 . 1 . . . . . . . . 6600 1 804 . 1 1 63 63 VAL H H 1 8.380 0.02 . 1 . . . . . . . . 6600 1 805 . 1 1 63 63 VAL HA H 1 3.841 0.02 . 1 . . . . . . . . 6600 1 806 . 1 1 63 63 VAL HB H 1 1.890 0.02 . 1 . . . . . . . . 6600 1 807 . 1 1 63 63 VAL HG11 H 1 0.777 0.02 . 2 . . . . . . . . 6600 1 808 . 1 1 63 63 VAL HG12 H 1 0.777 0.02 . 2 . . . . . . . . 6600 1 809 . 1 1 63 63 VAL HG13 H 1 0.777 0.02 . 2 . . . . . . . . 6600 1 810 . 1 1 63 63 VAL HG21 H 1 0.997 0.02 . 2 . . . . . . . . 6600 1 811 . 1 1 63 63 VAL HG22 H 1 0.997 0.02 . 2 . . . . . . . . 6600 1 812 . 1 1 63 63 VAL HG23 H 1 0.997 0.02 . 2 . . . . . . . . 6600 1 813 . 1 1 63 63 VAL C C 13 175.592 0.25 . 1 . . . . . . . . 6600 1 814 . 1 1 63 63 VAL CA C 13 63.664 0.25 . 1 . . . . . . . . 6600 1 815 . 1 1 63 63 VAL CB C 13 32.693 0.25 . 1 . . . . . . . . 6600 1 816 . 1 1 63 63 VAL CG1 C 13 21.884 0.25 . 1 . . . . . . . . 6600 1 817 . 1 1 63 63 VAL CG2 C 13 21.681 0.25 . 1 . . . . . . . . 6600 1 818 . 1 1 63 63 VAL N N 15 121.182 0.25 . 1 . . . . . . . . 6600 1 819 . 1 1 64 64 LEU H H 1 8.903 0.02 . 1 . . . . . . . . 6600 1 820 . 1 1 64 64 LEU HA H 1 4.374 0.02 . 1 . . . . . . . . 6600 1 821 . 1 1 64 64 LEU HB2 H 1 1.247 0.02 . 2 . . . . . . . . 6600 1 822 . 1 1 64 64 LEU HB3 H 1 1.598 0.02 . 2 . . . . . . . . 6600 1 823 . 1 1 64 64 LEU HG H 1 1.415 0.02 . 1 . . . . . . . . 6600 1 824 . 1 1 64 64 LEU HD11 H 1 0.845 0.02 . 2 . . . . . . . . 6600 1 825 . 1 1 64 64 LEU HD12 H 1 0.845 0.02 . 2 . . . . . . . . 6600 1 826 . 1 1 64 64 LEU HD13 H 1 0.845 0.02 . 2 . . . . . . . . 6600 1 827 . 1 1 64 64 LEU HD21 H 1 0.713 0.02 . 2 . . . . . . . . 6600 1 828 . 1 1 64 64 LEU HD22 H 1 0.713 0.02 . 2 . . . . . . . . 6600 1 829 . 1 1 64 64 LEU HD23 H 1 0.713 0.02 . 2 . . . . . . . . 6600 1 830 . 1 1 64 64 LEU C C 13 175.577 0.25 . 1 . . . . . . . . 6600 1 831 . 1 1 64 64 LEU CA C 13 56.147 0.25 . 1 . . . . . . . . 6600 1 832 . 1 1 64 64 LEU CB C 13 43.822 0.25 . 1 . . . . . . . . 6600 1 833 . 1 1 64 64 LEU CG C 13 27.275 0.25 . 1 . . . . . . . . 6600 1 834 . 1 1 64 64 LEU CD1 C 13 23.833 0.25 . 1 . . . . . . . . 6600 1 835 . 1 1 64 64 LEU CD2 C 13 26.842 0.25 . 1 . . . . . . . . 6600 1 836 . 1 1 64 64 LEU N N 15 125.854 0.25 . 1 . . . . . . . . 6600 1 837 . 1 1 65 65 LEU H H 1 7.695 0.02 . 1 . . . . . . . . 6600 1 838 . 1 1 65 65 LEU HA H 1 5.151 0.02 . 1 . . . . . . . . 6600 1 839 . 1 1 65 65 LEU HB2 H 1 1.721 0.02 . 2 . . . . . . . . 6600 1 840 . 1 1 65 65 LEU HB3 H 1 1.601 0.02 . 2 . . . . . . . . 6600 1 841 . 1 1 65 65 LEU HG H 1 1.506 0.02 . 1 . . . . . . . . 6600 1 842 . 1 1 65 65 LEU HD11 H 1 0.815 0.02 . 2 . . . . . . . . 6600 1 843 . 1 1 65 65 LEU HD12 H 1 0.815 0.02 . 2 . . . . . . . . 6600 1 844 . 1 1 65 65 LEU HD13 H 1 0.815 0.02 . 2 . . . . . . . . 6600 1 845 . 1 1 65 65 LEU HD21 H 1 0.803 0.02 . 2 . . . . . . . . 6600 1 846 . 1 1 65 65 LEU HD22 H 1 0.803 0.02 . 2 . . . . . . . . 6600 1 847 . 1 1 65 65 LEU HD23 H 1 0.803 0.02 . 2 . . . . . . . . 6600 1 848 . 1 1 65 65 LEU C C 13 174.483 0.25 . 1 . . . . . . . . 6600 1 849 . 1 1 65 65 LEU CA C 13 52.732 0.25 . 1 . . . . . . . . 6600 1 850 . 1 1 65 65 LEU CB C 13 44.825 0.25 . 1 . . . . . . . . 6600 1 851 . 1 1 65 65 LEU CG C 13 26.182 0.25 . 1 . . . . . . . . 6600 1 852 . 1 1 65 65 LEU CD1 C 13 26.895 0.25 . 1 . . . . . . . . 6600 1 853 . 1 1 65 65 LEU CD2 C 13 25.968 0.25 . 1 . . . . . . . . 6600 1 854 . 1 1 65 65 LEU N N 15 111.761 0.25 . 1 . . . . . . . . 6600 1 855 . 1 1 66 66 GLU H H 1 8.513 0.02 . 1 . . . . . . . . 6600 1 856 . 1 1 66 66 GLU HA H 1 4.723 0.02 . 1 . . . . . . . . 6600 1 857 . 1 1 66 66 GLU HB2 H 1 2.038 0.02 . 2 . . . . . . . . 6600 1 858 . 1 1 66 66 GLU HB3 H 1 1.758 0.02 . 2 . . . . . . . . 6600 1 859 . 1 1 66 66 GLU HG2 H 1 2.270 0.02 . 2 . . . . . . . . 6600 1 860 . 1 1 66 66 GLU HG3 H 1 2.110 0.02 . 2 . . . . . . . . 6600 1 861 . 1 1 66 66 GLU C C 13 175.866 0.25 . 1 . . . . . . . . 6600 1 862 . 1 1 66 66 GLU CA C 13 54.996 0.25 . 1 . . . . . . . . 6600 1 863 . 1 1 66 66 GLU CB C 13 32.498 0.25 . 1 . . . . . . . . 6600 1 864 . 1 1 66 66 GLU CG C 13 35.554 0.25 . 1 . . . . . . . . 6600 1 865 . 1 1 66 66 GLU N N 15 120.125 0.25 . 1 . . . . . . . . 6600 1 866 . 1 1 67 67 LEU H H 1 9.482 0.02 . 1 . . . . . . . . 6600 1 867 . 1 1 67 67 LEU HA H 1 5.171 0.02 . 1 . . . . . . . . 6600 1 868 . 1 1 67 67 LEU HB2 H 1 1.468 0.02 . 2 . . . . . . . . 6600 1 869 . 1 1 67 67 LEU HB3 H 1 1.678 0.02 . 2 . . . . . . . . 6600 1 870 . 1 1 67 67 LEU HG H 1 1.419 0.02 . 1 . . . . . . . . 6600 1 871 . 1 1 67 67 LEU HD11 H 1 0.623 0.02 . 2 . . . . . . . . 6600 1 872 . 1 1 67 67 LEU HD12 H 1 0.623 0.02 . 2 . . . . . . . . 6600 1 873 . 1 1 67 67 LEU HD13 H 1 0.623 0.02 . 2 . . . . . . . . 6600 1 874 . 1 1 67 67 LEU HD21 H 1 0.551 0.02 . 2 . . . . . . . . 6600 1 875 . 1 1 67 67 LEU HD22 H 1 0.551 0.02 . 2 . . . . . . . . 6600 1 876 . 1 1 67 67 LEU HD23 H 1 0.551 0.02 . 2 . . . . . . . . 6600 1 877 . 1 1 67 67 LEU C C 13 176.933 0.25 . 1 . . . . . . . . 6600 1 878 . 1 1 67 67 LEU CA C 13 53.626 0.25 . 1 . . . . . . . . 6600 1 879 . 1 1 67 67 LEU CB C 13 44.132 0.25 . 1 . . . . . . . . 6600 1 880 . 1 1 67 67 LEU CG C 13 27.326 0.25 . 1 . . . . . . . . 6600 1 881 . 1 1 67 67 LEU CD1 C 13 25.509 0.25 . 1 . . . . . . . . 6600 1 882 . 1 1 67 67 LEU CD2 C 13 23.878 0.25 . 1 . . . . . . . . 6600 1 883 . 1 1 67 67 LEU N N 15 126.450 0.25 . 1 . . . . . . . . 6600 1 884 . 1 1 68 68 SER H H 1 9.174 0.02 . 1 . . . . . . . . 6600 1 885 . 1 1 68 68 SER HA H 1 4.493 0.02 . 1 . . . . . . . . 6600 1 886 . 1 1 68 68 SER HB2 H 1 3.822 0.02 . 1 . . . . . . . . 6600 1 887 . 1 1 68 68 SER HB3 H 1 3.822 0.02 . 1 . . . . . . . . 6600 1 888 . 1 1 68 68 SER CA C 13 58.128 0.25 . 1 . . . . . . . . 6600 1 889 . 1 1 68 68 SER CB C 13 64.338 0.25 . 1 . . . . . . . . 6600 1 890 . 1 1 68 68 SER N N 15 116.763 0.25 . 1 . . . . . . . . 6600 1 891 . 1 1 69 69 ASN H H 1 8.433 0.02 . 1 . . . . . . . . 6600 1 892 . 1 1 69 69 ASN HA H 1 4.795 0.02 . 1 . . . . . . . . 6600 1 893 . 1 1 69 69 ASN HB2 H 1 2.805 0.02 . 2 . . . . . . . . 6600 1 894 . 1 1 69 69 ASN HB3 H 1 2.910 0.02 . 2 . . . . . . . . 6600 1 895 . 1 1 69 69 ASN HD21 H 1 6.977 0.02 . 2 . . . . . . . . 6600 1 896 . 1 1 69 69 ASN HD22 H 1 7.625 0.02 . 2 . . . . . . . . 6600 1 897 . 1 1 69 69 ASN C C 13 175.232 0.25 . 1 . . . . . . . . 6600 1 898 . 1 1 69 69 ASN CA C 13 53.518 0.25 . 1 . . . . . . . . 6600 1 899 . 1 1 69 69 ASN CB C 13 38.910 0.25 . 1 . . . . . . . . 6600 1 900 . 1 1 69 69 ASN CG C 13 177.15 0.25 . 1 . . . . . . . . 6600 1 901 . 1 1 69 69 ASN N N 15 115.665 0.25 . 1 . . . . . . . . 6600 1 902 . 1 1 69 69 ASN ND2 N 15 112.743 0.25 . 1 . . . . . . . . 6600 1 903 . 1 1 70 70 SER H H 1 8.408 0.02 . 1 . . . . . . . . 6600 1 904 . 1 1 70 70 SER HA H 1 4.600 0.02 . 1 . . . . . . . . 6600 1 905 . 1 1 70 70 SER HB2 H 1 3.872 0.02 . 1 . . . . . . . . 6600 1 906 . 1 1 70 70 SER HB3 H 1 3.872 0.02 . 1 . . . . . . . . 6600 1 907 . 1 1 70 70 SER C C 13 174.778 0.25 . 1 . . . . . . . . 6600 1 908 . 1 1 70 70 SER CA C 13 58.474 0.25 . 1 . . . . . . . . 6600 1 909 . 1 1 70 70 SER CB C 13 64.105 0.25 . 1 . . . . . . . . 6600 1 910 . 1 1 70 70 SER N N 15 115.914 0.25 . 1 . . . . . . . . 6600 1 911 . 1 1 71 71 THR H H 1 8.305 0.02 . 1 . . . . . . . . 6600 1 912 . 1 1 71 71 THR HA H 1 4.396 0.02 . 1 . . . . . . . . 6600 1 913 . 1 1 71 71 THR HB H 1 4.299 0.02 . 1 . . . . . . . . 6600 1 914 . 1 1 71 71 THR HG21 H 1 1.217 0.02 . 1 . . . . . . . . 6600 1 915 . 1 1 71 71 THR HG22 H 1 1.217 0.02 . 1 . . . . . . . . 6600 1 916 . 1 1 71 71 THR HG23 H 1 1.217 0.02 . 1 . . . . . . . . 6600 1 917 . 1 1 71 71 THR C C 13 173.778 0.25 . 1 . . . . . . . . 6600 1 918 . 1 1 71 71 THR CA C 13 61.876 0.25 . 1 . . . . . . . . 6600 1 919 . 1 1 71 71 THR CB C 13 69.929 0.25 . 1 . . . . . . . . 6600 1 920 . 1 1 71 71 THR CG2 C 13 21.524 0.25 . 1 . . . . . . . . 6600 1 921 . 1 1 71 71 THR N N 15 115.920 0.25 . 1 . . . . . . . . 6600 1 922 . 1 1 72 72 GLN H H 1 8.041 0.02 . 1 . . . . . . . . 6600 1 923 . 1 1 72 72 GLN HA H 1 4.189 0.02 . 1 . . . . . . . . 6600 1 924 . 1 1 72 72 GLN HB2 H 1 1.939 0.02 . 2 . . . . . . . . 6600 1 925 . 1 1 72 72 GLN HB3 H 1 2.123 0.02 . 2 . . . . . . . . 6600 1 926 . 1 1 72 72 GLN HG2 H 1 2.306 0.02 . 1 . . . . . . . . 6600 1 927 . 1 1 72 72 GLN HG3 H 1 2.306 0.02 . 1 . . . . . . . . 6600 1 928 . 1 1 72 72 GLN HE21 H 1 7.538 0.02 . 2 . . . . . . . . 6600 1 929 . 1 1 72 72 GLN HE22 H 1 6.833 0.02 . 2 . . . . . . . . 6600 1 930 . 1 1 72 72 GLN CA C 13 57.520 0.25 . 1 . . . . . . . . 6600 1 931 . 1 1 72 72 GLN CB C 13 30.500 0.25 . 1 . . . . . . . . 6600 1 932 . 1 1 72 72 GLN CG C 13 34.33 0.25 . 1 . . . . . . . . 6600 1 933 . 1 1 72 72 GLN CD C 13 181.28 0.25 . 1 . . . . . . . . 6600 1 934 . 1 1 72 72 GLN N N 15 127.119 0.25 . 1 . . . . . . . . 6600 1 935 . 1 1 72 72 GLN NE2 N 15 112.422 0.25 . 1 . . . . . . . . 6600 1 stop_ save_