data_10065 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10065 _Entry.Title ; Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-26 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 N. Tochio . . . 10065 2 N. Kobayashi . . . 10065 3 S. Koshiba . . . 10065 4 T. Kigawa . . . 10065 5 M. Inoue . . . 10065 6 M. Shirouzu . . . 10065 7 T. Terada . . . 10065 8 T. Yabuki . . . 10065 9 M. Aoki . . . 10065 10 E. Seki . . . 10065 11 T. Matsuda . . . 10065 12 H. Hirota . . . 10065 13 M. Yoshida . . . 10065 14 A. Tanaka . . . 10065 15 T. Osanai . . . 10065 16 Y. Matsuo . . . 10065 17 T. Arakawa . . . 10065 18 P. Carninci . . . 10065 19 J. Kawai . . . 10065 20 Y. Hayashizaki . . . 10065 21 S. Yokoyama . . . 10065 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10065 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10065 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 10065 '15N chemical shifts' 98 10065 '1H chemical shifts' 604 10065 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 . . 2008-08-14 2006-12-25 original author . 10065 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UFN 'BMRB Entry Tracking System' 10065 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10065 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 N. Tochio . . . 10065 1 2 N. Kobayashi . . . 10065 1 3 S. Koshiba . . . 10065 1 4 T. Kigawa . . . 10065 1 5 M. Inoue . . . 10065 1 6 M. Shirouzu . . . 10065 1 7 T. Terada . . . 10065 1 8 T. Yabuki . . . 10065 1 9 M. Aoki . . . 10065 1 10 E. Seki . . . 10065 1 11 T. Matsuda . . . 10065 1 12 H. Hirota . . . 10065 1 13 M. Yoshida . . . 10065 1 14 A. Tanaka . . . 10065 1 15 T. Osanai . . . 10065 1 16 Y. Matsuo . . . 10065 1 17 T. Arakawa . . . 10065 1 18 P. Carninci . . . 10065 1 19 J. Kawai . . . 10065 1 20 Y. Hayashizaki . . . 10065 1 21 S. Yokoyama . . . 10065 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10065 _Assembly.ID 1 _Assembly.Name 'putative nuclear protein homolog 5830484A20Rik' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10065 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 'putative nuclear protein homolog 5830484A20Rik' 1 $entity_1 . . yes native no no . . . 10065 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1UFN . . . . . . 10065 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10065 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SAND DOMAIN' _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 ; GSSGSSGNDAVDFSPTLPVT CGKAKGTLFQEKLKQGASKK CIQNEAGDWLTVKEFLNEGG RATSKDWKGVIRCNGETLRH LEQKGLLFSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UFN . "Solution Structure Of The Sand Domain Of The Putative Nuclear Protein Homolog (5830484a20rik)" . . . . . 100.00 94 100.00 100.00 6.87e-60 . . . . 10065 1 2 no DBJ BAC37018 . "unnamed protein product [Mus musculus]" . . . . . 88.30 445 97.59 98.80 4.06e-50 . . . . 10065 1 3 no DBJ BAE29505 . "unnamed protein product [Mus musculus]" . . . . . 88.30 445 97.59 98.80 4.86e-50 . . . . 10065 1 4 no GB AAH94500 . "Sp110 protein [Mus musculus]" . . . . . 88.30 445 97.59 98.80 4.06e-50 . . . . 10065 1 5 no GB AAW32543 . "intracellular pathogen resistance 1 [Mus musculus]" . . . . . 88.30 445 97.59 98.80 4.06e-50 . . . . 10065 1 6 no REF NP_084470 . "sp110 nuclear body protein [Mus musculus]" . . . . . 88.30 445 97.59 98.80 4.06e-50 . . . . 10065 1 7 no REF NP_780606 . "sp110 nuclear body protein [Mus musculus]" . . . . . 88.30 445 97.59 98.80 4.06e-50 . . . . 10065 1 8 no REF XP_006529132 . "PREDICTED: sp110 nuclear body protein isoform X1 [Mus musculus]" . . . . . 88.30 449 97.59 98.80 3.89e-50 . . . . 10065 1 9 no REF XP_011246199 . "PREDICTED: sp110 nuclear body protein isoform X1 [Mus musculus]" . . . . . 88.30 449 97.59 98.80 3.89e-50 . . . . 10065 1 10 no REF XP_011246200 . "PREDICTED: sp110 nuclear body protein isoform X1 [Mus musculus]" . . . . . 88.30 449 97.59 98.80 3.89e-50 . . . . 10065 1 11 no SP Q8BVK9 . "RecName: Full=Sp110 nuclear body protein; AltName: Full=Intracellular pathogen resistance protein 1" . . . . . 88.30 445 97.59 98.80 4.06e-50 . . . . 10065 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SAND DOMAIN' . 10065 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 . GLY . 10065 1 2 . SER . 10065 1 3 . SER . 10065 1 4 . GLY . 10065 1 5 . SER . 10065 1 6 . SER . 10065 1 7 . GLY . 10065 1 8 . ASN . 10065 1 9 . ASP . 10065 1 10 . ALA . 10065 1 11 . VAL . 10065 1 12 . ASP . 10065 1 13 . PHE . 10065 1 14 . SER . 10065 1 15 . PRO . 10065 1 16 . THR . 10065 1 17 . LEU . 10065 1 18 . PRO . 10065 1 19 . VAL . 10065 1 20 . THR . 10065 1 21 . CYS . 10065 1 22 . GLY . 10065 1 23 . LYS . 10065 1 24 . ALA . 10065 1 25 . LYS . 10065 1 26 . GLY . 10065 1 27 . THR . 10065 1 28 . LEU . 10065 1 29 . PHE . 10065 1 30 . GLN . 10065 1 31 . GLU . 10065 1 32 . LYS . 10065 1 33 . LEU . 10065 1 34 . LYS . 10065 1 35 . GLN . 10065 1 36 . GLY . 10065 1 37 . ALA . 10065 1 38 . SER . 10065 1 39 . LYS . 10065 1 40 . LYS . 10065 1 41 . CYS . 10065 1 42 . ILE . 10065 1 43 . GLN . 10065 1 44 . ASN . 10065 1 45 . GLU . 10065 1 46 . ALA . 10065 1 47 . GLY . 10065 1 48 . ASP . 10065 1 49 . TRP . 10065 1 50 . LEU . 10065 1 51 . THR . 10065 1 52 . VAL . 10065 1 53 . LYS . 10065 1 54 . GLU . 10065 1 55 . PHE . 10065 1 56 . LEU . 10065 1 57 . ASN . 10065 1 58 . GLU . 10065 1 59 . GLY . 10065 1 60 . GLY . 10065 1 61 . ARG . 10065 1 62 . ALA . 10065 1 63 . THR . 10065 1 64 . SER . 10065 1 65 . LYS . 10065 1 66 . ASP . 10065 1 67 . TRP . 10065 1 68 . LYS . 10065 1 69 . GLY . 10065 1 70 . VAL . 10065 1 71 . ILE . 10065 1 72 . ARG . 10065 1 73 . CYS . 10065 1 74 . ASN . 10065 1 75 . GLY . 10065 1 76 . GLU . 10065 1 77 . THR . 10065 1 78 . LEU . 10065 1 79 . ARG . 10065 1 80 . HIS . 10065 1 81 . LEU . 10065 1 82 . GLU . 10065 1 83 . GLN . 10065 1 84 . LYS . 10065 1 85 . GLY . 10065 1 86 . LEU . 10065 1 87 . LEU . 10065 1 88 . PHE . 10065 1 89 . SER . 10065 1 90 . GLY . 10065 1 91 . PRO . 10065 1 92 . SER . 10065 1 93 . SER . 10065 1 94 . GLY . 10065 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10065 1 . SER 2 2 10065 1 . SER 3 3 10065 1 . GLY 4 4 10065 1 . SER 5 5 10065 1 . SER 6 6 10065 1 . GLY 7 7 10065 1 . ASN 8 8 10065 1 . ASP 9 9 10065 1 . ALA 10 10 10065 1 . VAL 11 11 10065 1 . ASP 12 12 10065 1 . PHE 13 13 10065 1 . SER 14 14 10065 1 . PRO 15 15 10065 1 . THR 16 16 10065 1 . LEU 17 17 10065 1 . PRO 18 18 10065 1 . VAL 19 19 10065 1 . THR 20 20 10065 1 . CYS 21 21 10065 1 . GLY 22 22 10065 1 . LYS 23 23 10065 1 . ALA 24 24 10065 1 . LYS 25 25 10065 1 . GLY 26 26 10065 1 . THR 27 27 10065 1 . LEU 28 28 10065 1 . PHE 29 29 10065 1 . GLN 30 30 10065 1 . GLU 31 31 10065 1 . LYS 32 32 10065 1 . LEU 33 33 10065 1 . LYS 34 34 10065 1 . GLN 35 35 10065 1 . GLY 36 36 10065 1 . ALA 37 37 10065 1 . SER 38 38 10065 1 . LYS 39 39 10065 1 . LYS 40 40 10065 1 . CYS 41 41 10065 1 . ILE 42 42 10065 1 . GLN 43 43 10065 1 . ASN 44 44 10065 1 . GLU 45 45 10065 1 . ALA 46 46 10065 1 . GLY 47 47 10065 1 . ASP 48 48 10065 1 . TRP 49 49 10065 1 . LEU 50 50 10065 1 . THR 51 51 10065 1 . VAL 52 52 10065 1 . LYS 53 53 10065 1 . GLU 54 54 10065 1 . PHE 55 55 10065 1 . LEU 56 56 10065 1 . ASN 57 57 10065 1 . GLU 58 58 10065 1 . GLY 59 59 10065 1 . GLY 60 60 10065 1 . ARG 61 61 10065 1 . ALA 62 62 10065 1 . THR 63 63 10065 1 . SER 64 64 10065 1 . LYS 65 65 10065 1 . ASP 66 66 10065 1 . TRP 67 67 10065 1 . LYS 68 68 10065 1 . GLY 69 69 10065 1 . VAL 70 70 10065 1 . ILE 71 71 10065 1 . ARG 72 72 10065 1 . CYS 73 73 10065 1 . ASN 74 74 10065 1 . GLY 75 75 10065 1 . GLU 76 76 10065 1 . THR 77 77 10065 1 . LEU 78 78 10065 1 . ARG 79 79 10065 1 . HIS 80 80 10065 1 . LEU 81 81 10065 1 . GLU 82 82 10065 1 . GLN 83 83 10065 1 . LYS 84 84 10065 1 . GLY 85 85 10065 1 . LEU 86 86 10065 1 . LEU 87 87 10065 1 . PHE 88 88 10065 1 . SER 89 89 10065 1 . GLY 90 90 10065 1 . PRO 91 91 10065 1 . SER 92 92 10065 1 . SER 93 93 10065 1 . GLY 94 94 10065 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 10065 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10065 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 10065 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P021030-59 . . . . . . 10065 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10065 _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 'SAND domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 10065 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10065 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10065 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 10065 1 5 H2O . . . . . . solvent 90 . . % . . . . 10065 1 6 D2O . . . . . . solvent 10 . . % . . . . 10065 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10065 _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' 120 0.1 mM 10065 1 pH 6.0 0.05 pH 10065 1 pressure 1 0.001 atm 10065 1 temperature 298 0.1 K 10065 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10065 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10065 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10065 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10065 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10065 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10065 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10065 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10065 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10065 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10065 _Software.ID 4 _Software.Name Kujira _Software.Version 0.816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10065 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10065 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10065 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10065 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10065 5 'structure solution' 10065 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10065 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10065 _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' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10065 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10065 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10065 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10065 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10065 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 10065 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10065 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10065 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10065 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10065 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10065 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER HA H 1 4.519 0.030 . 1 . . . . 3 SER HA . 10065 1 2 . 1 1 3 3 SER HB2 H 1 3.937 0.030 . 1 . . . . 3 SER HB2 . 10065 1 3 . 1 1 3 3 SER HB3 H 1 3.937 0.030 . 1 . . . . 3 SER HB3 . 10065 1 4 . 1 1 3 3 SER C C 13 175.060 0.300 . 1 . . . . 3 SER C . 10065 1 5 . 1 1 3 3 SER CA C 13 58.665 0.300 . 1 . . . . 3 SER CA . 10065 1 6 . 1 1 3 3 SER CB C 13 64.035 0.300 . 1 . . . . 3 SER CB . 10065 1 7 . 1 1 4 4 GLY H H 1 8.480 0.030 . 1 . . . . 4 GLY H . 10065 1 8 . 1 1 4 4 GLY HA2 H 1 4.040 0.030 . 1 . . . . 4 GLY HA2 . 10065 1 9 . 1 1 4 4 GLY HA3 H 1 4.040 0.030 . 1 . . . . 4 GLY HA3 . 10065 1 10 . 1 1 4 4 GLY C C 13 174.309 0.300 . 1 . . . . 4 GLY C . 10065 1 11 . 1 1 4 4 GLY CA C 13 45.406 0.300 . 1 . . . . 4 GLY CA . 10065 1 12 . 1 1 4 4 GLY N N 15 111.007 0.300 . 1 . . . . 4 GLY N . 10065 1 13 . 1 1 5 5 SER H H 1 8.285 0.030 . 1 . . . . 5 SER H . 10065 1 14 . 1 1 5 5 SER C C 13 174.891 0.300 . 1 . . . . 5 SER C . 10065 1 15 . 1 1 5 5 SER CA C 13 58.233 0.300 . 1 . . . . 5 SER CA . 10065 1 16 . 1 1 5 5 SER CB C 13 64.071 0.300 . 1 . . . . 5 SER CB . 10065 1 17 . 1 1 5 5 SER N N 15 115.822 0.300 . 1 . . . . 5 SER N . 10065 1 18 . 1 1 6 6 SER HA H 1 4.506 0.030 . 1 . . . . 6 SER HA . 10065 1 19 . 1 1 6 6 SER HB2 H 1 3.924 0.030 . 1 . . . . 6 SER HB2 . 10065 1 20 . 1 1 6 6 SER HB3 H 1 3.924 0.030 . 1 . . . . 6 SER HB3 . 10065 1 21 . 1 1 6 6 SER C C 13 175.012 0.300 . 1 . . . . 6 SER C . 10065 1 22 . 1 1 6 6 SER CA C 13 58.665 0.300 . 1 . . . . 6 SER CA . 10065 1 23 . 1 1 6 6 SER CB C 13 64.035 0.300 . 1 . . . . 6 SER CB . 10065 1 24 . 1 1 7 7 GLY H H 1 8.426 0.030 . 1 . . . . 7 GLY H . 10065 1 25 . 1 1 7 7 GLY HA2 H 1 4.015 0.030 . 2 . . . . 7 GLY HA2 . 10065 1 26 . 1 1 7 7 GLY HA3 H 1 3.967 0.030 . 2 . . . . 7 GLY HA3 . 10065 1 27 . 1 1 7 7 GLY C C 13 174.043 0.300 . 1 . . . . 7 GLY C . 10065 1 28 . 1 1 7 7 GLY CA C 13 45.390 0.300 . 1 . . . . 7 GLY CA . 10065 1 29 . 1 1 7 7 GLY N N 15 110.603 0.300 . 1 . . . . 7 GLY N . 10065 1 30 . 1 1 8 8 ASN H H 1 8.330 0.030 . 1 . . . . 8 ASN H . 10065 1 31 . 1 1 8 8 ASN HA H 1 4.744 0.030 . 1 . . . . 8 ASN HA . 10065 1 32 . 1 1 8 8 ASN HB2 H 1 2.834 0.030 . 2 . . . . 8 ASN HB2 . 10065 1 33 . 1 1 8 8 ASN HB3 H 1 2.707 0.030 . 2 . . . . 8 ASN HB3 . 10065 1 34 . 1 1 8 8 ASN HD21 H 1 7.565 0.030 . 2 . . . . 8 ASN HD21 . 10065 1 35 . 1 1 8 8 ASN HD22 H 1 6.893 0.030 . 2 . . . . 8 ASN HD22 . 10065 1 36 . 1 1 8 8 ASN C C 13 174.988 0.300 . 1 . . . . 8 ASN C . 10065 1 37 . 1 1 8 8 ASN CA C 13 53.282 0.300 . 1 . . . . 8 ASN CA . 10065 1 38 . 1 1 8 8 ASN CB C 13 39.075 0.300 . 1 . . . . 8 ASN CB . 10065 1 39 . 1 1 8 8 ASN N N 15 118.784 0.300 . 1 . . . . 8 ASN N . 10065 1 40 . 1 1 8 8 ASN ND2 N 15 112.765 0.300 . 1 . . . . 8 ASN ND2 . 10065 1 41 . 1 1 9 9 ASP H H 1 8.357 0.030 . 1 . . . . 9 ASP H . 10065 1 42 . 1 1 9 9 ASP HA H 1 4.574 0.030 . 1 . . . . 9 ASP HA . 10065 1 43 . 1 1 9 9 ASP HB2 H 1 2.696 0.030 . 2 . . . . 9 ASP HB2 . 10065 1 44 . 1 1 9 9 ASP HB3 H 1 2.632 0.030 . 2 . . . . 9 ASP HB3 . 10065 1 45 . 1 1 9 9 ASP C C 13 175.908 0.300 . 1 . . . . 9 ASP C . 10065 1 46 . 1 1 9 9 ASP CA C 13 54.514 0.300 . 1 . . . . 9 ASP CA . 10065 1 47 . 1 1 9 9 ASP CB C 13 41.153 0.300 . 1 . . . . 9 ASP CB . 10065 1 48 . 1 1 9 9 ASP N N 15 120.682 0.300 . 1 . . . . 9 ASP N . 10065 1 49 . 1 1 10 10 ALA H H 1 8.147 0.030 . 1 . . . . 10 ALA H . 10065 1 50 . 1 1 10 10 ALA HA H 1 4.335 0.030 . 1 . . . . 10 ALA HA . 10065 1 51 . 1 1 10 10 ALA HB1 H 1 1.390 0.030 . 1 . . . . 10 ALA HB . 10065 1 52 . 1 1 10 10 ALA HB2 H 1 1.390 0.030 . 1 . . . . 10 ALA HB . 10065 1 53 . 1 1 10 10 ALA HB3 H 1 1.390 0.030 . 1 . . . . 10 ALA HB . 10065 1 54 . 1 1 10 10 ALA C C 13 177.750 0.300 . 1 . . . . 10 ALA C . 10065 1 55 . 1 1 10 10 ALA CA C 13 52.572 0.300 . 1 . . . . 10 ALA CA . 10065 1 56 . 1 1 10 10 ALA CB C 13 19.306 0.300 . 1 . . . . 10 ALA CB . 10065 1 57 . 1 1 10 10 ALA N N 15 123.815 0.300 . 1 . . . . 10 ALA N . 10065 1 58 . 1 1 11 11 VAL H H 1 8.035 0.030 . 1 . . . . 11 VAL H . 10065 1 59 . 1 1 11 11 VAL HA H 1 4.090 0.030 . 1 . . . . 11 VAL HA . 10065 1 60 . 1 1 11 11 VAL HB H 1 2.041 0.030 . 1 . . . . 11 VAL HB . 10065 1 61 . 1 1 11 11 VAL HG11 H 1 0.904 0.030 . 1 . . . . 11 VAL HG1 . 10065 1 62 . 1 1 11 11 VAL HG12 H 1 0.904 0.030 . 1 . . . . 11 VAL HG1 . 10065 1 63 . 1 1 11 11 VAL HG13 H 1 0.904 0.030 . 1 . . . . 11 VAL HG1 . 10065 1 64 . 1 1 11 11 VAL HG21 H 1 0.868 0.030 . 1 . . . . 11 VAL HG2 . 10065 1 65 . 1 1 11 11 VAL HG22 H 1 0.868 0.030 . 1 . . . . 11 VAL HG2 . 10065 1 66 . 1 1 11 11 VAL HG23 H 1 0.868 0.030 . 1 . . . . 11 VAL HG2 . 10065 1 67 . 1 1 11 11 VAL C C 13 175.666 0.300 . 1 . . . . 11 VAL C . 10065 1 68 . 1 1 11 11 VAL CA C 13 62.219 0.300 . 1 . . . . 11 VAL CA . 10065 1 69 . 1 1 11 11 VAL CB C 13 32.929 0.300 . 1 . . . . 11 VAL CB . 10065 1 70 . 1 1 11 11 VAL CG1 C 13 20.442 0.300 . 2 . . . . 11 VAL CG1 . 10065 1 71 . 1 1 11 11 VAL CG2 C 13 21.264 0.300 . 2 . . . . 11 VAL CG2 . 10065 1 72 . 1 1 11 11 VAL N N 15 118.784 0.300 . 1 . . . . 11 VAL N . 10065 1 73 . 1 1 12 12 ASP H H 1 8.268 0.030 . 1 . . . . 12 ASP H . 10065 1 74 . 1 1 12 12 ASP HA H 1 4.610 0.030 . 1 . . . . 12 ASP HA . 10065 1 75 . 1 1 12 12 ASP HB2 H 1 2.652 0.030 . 2 . . . . 12 ASP HB2 . 10065 1 76 . 1 1 12 12 ASP HB3 H 1 2.540 0.030 . 2 . . . . 12 ASP HB3 . 10065 1 77 . 1 1 12 12 ASP C C 13 175.545 0.300 . 1 . . . . 12 ASP C . 10065 1 78 . 1 1 12 12 ASP CA C 13 54.127 0.300 . 1 . . . . 12 ASP CA . 10065 1 79 . 1 1 12 12 ASP CB C 13 41.259 0.300 . 1 . . . . 12 ASP CB . 10065 1 80 . 1 1 12 12 ASP N N 15 123.135 0.300 . 1 . . . . 12 ASP N . 10065 1 81 . 1 1 13 13 PHE H H 1 8.100 0.030 . 1 . . . . 13 PHE H . 10065 1 82 . 1 1 13 13 PHE HA H 1 4.614 0.030 . 1 . . . . 13 PHE HA . 10065 1 83 . 1 1 13 13 PHE HB2 H 1 3.057 0.030 . 1 . . . . 13 PHE HB2 . 10065 1 84 . 1 1 13 13 PHE HB3 H 1 3.057 0.030 . 1 . . . . 13 PHE HB3 . 10065 1 85 . 1 1 13 13 PHE HD1 H 1 7.208 0.030 . 1 . . . . 13 PHE HD1 . 10065 1 86 . 1 1 13 13 PHE HD2 H 1 7.208 0.030 . 1 . . . . 13 PHE HD2 . 10065 1 87 . 1 1 13 13 PHE C C 13 175.254 0.300 . 1 . . . . 13 PHE C . 10065 1 88 . 1 1 13 13 PHE CA C 13 57.715 0.300 . 1 . . . . 13 PHE CA . 10065 1 89 . 1 1 13 13 PHE CB C 13 39.824 0.300 . 1 . . . . 13 PHE CB . 10065 1 90 . 1 1 13 13 PHE CD1 C 13 131.906 0.300 . 1 . . . . 13 PHE CD1 . 10065 1 91 . 1 1 13 13 PHE CD2 C 13 131.906 0.300 . 1 . . . . 13 PHE CD2 . 10065 1 92 . 1 1 13 13 PHE N N 15 120.899 0.300 . 1 . . . . 13 PHE N . 10065 1 93 . 1 1 14 14 SER H H 1 8.352 0.030 . 1 . . . . 14 SER H . 10065 1 94 . 1 1 14 14 SER C C 13 172.589 0.300 . 1 . . . . 14 SER C . 10065 1 95 . 1 1 14 14 SER CA C 13 55.849 0.300 . 1 . . . . 14 SER CA . 10065 1 96 . 1 1 14 14 SER CB C 13 64.235 0.300 . 1 . . . . 14 SER CB . 10065 1 97 . 1 1 14 14 SER N N 15 120.401 0.300 . 1 . . . . 14 SER N . 10065 1 98 . 1 1 15 15 PRO HA H 1 4.438 0.030 . 1 . . . . 15 PRO HA . 10065 1 99 . 1 1 15 15 PRO HB2 H 1 2.433 0.030 . 2 . . . . 15 PRO HB2 . 10065 1 100 . 1 1 15 15 PRO HB3 H 1 2.070 0.030 . 2 . . . . 15 PRO HB3 . 10065 1 101 . 1 1 15 15 PRO HG2 H 1 2.107 0.030 . 1 . . . . 15 PRO HG2 . 10065 1 102 . 1 1 15 15 PRO HG3 H 1 2.107 0.030 . 1 . . . . 15 PRO HG3 . 10065 1 103 . 1 1 15 15 PRO HD2 H 1 3.835 0.030 . 2 . . . . 15 PRO HD2 . 10065 1 104 . 1 1 15 15 PRO HD3 H 1 3.733 0.030 . 2 . . . . 15 PRO HD3 . 10065 1 105 . 1 1 15 15 PRO C C 13 177.338 0.300 . 1 . . . . 15 PRO C . 10065 1 106 . 1 1 15 15 PRO CA C 13 64.187 0.300 . 1 . . . . 15 PRO CA . 10065 1 107 . 1 1 15 15 PRO CB C 13 32.212 0.300 . 1 . . . . 15 PRO CB . 10065 1 108 . 1 1 15 15 PRO CG C 13 27.610 0.300 . 1 . . . . 15 PRO CG . 10065 1 109 . 1 1 15 15 PRO CD C 13 50.939 0.300 . 1 . . . . 15 PRO CD . 10065 1 110 . 1 1 16 16 THR H H 1 7.763 0.030 . 1 . . . . 16 THR H . 10065 1 111 . 1 1 16 16 THR HA H 1 5.221 0.030 . 1 . . . . 16 THR HA . 10065 1 112 . 1 1 16 16 THR HB H 1 3.497 0.030 . 1 . . . . 16 THR HB . 10065 1 113 . 1 1 16 16 THR HG21 H 1 0.343 0.030 . 1 . . . . 16 THR HG2 . 10065 1 114 . 1 1 16 16 THR HG22 H 1 0.343 0.030 . 1 . . . . 16 THR HG2 . 10065 1 115 . 1 1 16 16 THR HG23 H 1 0.343 0.030 . 1 . . . . 16 THR HG2 . 10065 1 116 . 1 1 16 16 THR C C 13 173.800 0.300 . 1 . . . . 16 THR C . 10065 1 117 . 1 1 16 16 THR CA C 13 58.630 0.300 . 1 . . . . 16 THR CA . 10065 1 118 . 1 1 16 16 THR CB C 13 71.764 0.300 . 1 . . . . 16 THR CB . 10065 1 119 . 1 1 16 16 THR CG2 C 13 21.317 0.300 . 1 . . . . 16 THR CG2 . 10065 1 120 . 1 1 16 16 THR N N 15 110.697 0.300 . 1 . . . . 16 THR N . 10065 1 121 . 1 1 17 17 LEU H H 1 8.617 0.030 . 1 . . . . 17 LEU H . 10065 1 122 . 1 1 17 17 LEU HA H 1 5.000 0.030 . 1 . . . . 17 LEU HA . 10065 1 123 . 1 1 17 17 LEU HB2 H 1 1.669 0.030 . 2 . . . . 17 LEU HB2 . 10065 1 124 . 1 1 17 17 LEU HB3 H 1 1.476 0.030 . 2 . . . . 17 LEU HB3 . 10065 1 125 . 1 1 17 17 LEU HG H 1 1.543 0.030 . 1 . . . . 17 LEU HG . 10065 1 126 . 1 1 17 17 LEU HD11 H 1 0.968 0.030 . 1 . . . . 17 LEU HD1 . 10065 1 127 . 1 1 17 17 LEU HD12 H 1 0.968 0.030 . 1 . . . . 17 LEU HD1 . 10065 1 128 . 1 1 17 17 LEU HD13 H 1 0.968 0.030 . 1 . . . . 17 LEU HD1 . 10065 1 129 . 1 1 17 17 LEU HD21 H 1 0.816 0.030 . 1 . . . . 17 LEU HD2 . 10065 1 130 . 1 1 17 17 LEU HD22 H 1 0.816 0.030 . 1 . . . . 17 LEU HD2 . 10065 1 131 . 1 1 17 17 LEU HD23 H 1 0.816 0.030 . 1 . . . . 17 LEU HD2 . 10065 1 132 . 1 1 17 17 LEU C C 13 173.873 0.300 . 1 . . . . 17 LEU C . 10065 1 133 . 1 1 17 17 LEU CA C 13 51.585 0.300 . 1 . . . . 17 LEU CA . 10065 1 134 . 1 1 17 17 LEU CB C 13 45.495 0.300 . 1 . . . . 17 LEU CB . 10065 1 135 . 1 1 17 17 LEU CG C 13 26.967 0.300 . 1 . . . . 17 LEU CG . 10065 1 136 . 1 1 17 17 LEU CD1 C 13 23.666 0.300 . 2 . . . . 17 LEU CD1 . 10065 1 137 . 1 1 17 17 LEU CD2 C 13 26.153 0.300 . 2 . . . . 17 LEU CD2 . 10065 1 138 . 1 1 17 17 LEU N N 15 120.401 0.300 . 1 . . . . 17 LEU N . 10065 1 139 . 1 1 18 18 PRO HA H 1 4.979 0.030 . 1 . . . . 18 PRO HA . 10065 1 140 . 1 1 18 18 PRO HB2 H 1 2.236 0.030 . 2 . . . . 18 PRO HB2 . 10065 1 141 . 1 1 18 18 PRO HB3 H 1 2.099 0.030 . 2 . . . . 18 PRO HB3 . 10065 1 142 . 1 1 18 18 PRO HG2 H 1 2.423 0.030 . 2 . . . . 18 PRO HG2 . 10065 1 143 . 1 1 18 18 PRO HG3 H 1 2.142 0.030 . 2 . . . . 18 PRO HG3 . 10065 1 144 . 1 1 18 18 PRO HD2 H 1 3.865 0.030 . 2 . . . . 18 PRO HD2 . 10065 1 145 . 1 1 18 18 PRO HD3 H 1 3.644 0.030 . 2 . . . . 18 PRO HD3 . 10065 1 146 . 1 1 18 18 PRO C C 13 177.483 0.300 . 1 . . . . 18 PRO C . 10065 1 147 . 1 1 18 18 PRO CA C 13 62.535 0.300 . 1 . . . . 18 PRO CA . 10065 1 148 . 1 1 18 18 PRO CB C 13 31.302 0.300 . 1 . . . . 18 PRO CB . 10065 1 149 . 1 1 18 18 PRO CG C 13 27.369 0.300 . 1 . . . . 18 PRO CG . 10065 1 150 . 1 1 18 18 PRO CD C 13 50.550 0.300 . 1 . . . . 18 PRO CD . 10065 1 151 . 1 1 19 19 VAL H H 1 8.868 0.030 . 1 . . . . 19 VAL H . 10065 1 152 . 1 1 19 19 VAL HA H 1 5.886 0.030 . 1 . . . . 19 VAL HA . 10065 1 153 . 1 1 19 19 VAL HB H 1 2.207 0.030 . 1 . . . . 19 VAL HB . 10065 1 154 . 1 1 19 19 VAL HG11 H 1 0.802 0.030 . 1 . . . . 19 VAL HG1 . 10065 1 155 . 1 1 19 19 VAL HG12 H 1 0.802 0.030 . 1 . . . . 19 VAL HG1 . 10065 1 156 . 1 1 19 19 VAL HG13 H 1 0.802 0.030 . 1 . . . . 19 VAL HG1 . 10065 1 157 . 1 1 19 19 VAL HG21 H 1 0.375 0.030 . 1 . . . . 19 VAL HG2 . 10065 1 158 . 1 1 19 19 VAL HG22 H 1 0.375 0.030 . 1 . . . . 19 VAL HG2 . 10065 1 159 . 1 1 19 19 VAL HG23 H 1 0.375 0.030 . 1 . . . . 19 VAL HG2 . 10065 1 160 . 1 1 19 19 VAL C C 13 176.538 0.300 . 1 . . . . 19 VAL C . 10065 1 161 . 1 1 19 19 VAL CA C 13 58.425 0.300 . 1 . . . . 19 VAL CA . 10065 1 162 . 1 1 19 19 VAL CB C 13 36.819 0.300 . 1 . . . . 19 VAL CB . 10065 1 163 . 1 1 19 19 VAL CG1 C 13 23.335 0.300 . 2 . . . . 19 VAL CG1 . 10065 1 164 . 1 1 19 19 VAL CG2 C 13 18.623 0.300 . 2 . . . . 19 VAL CG2 . 10065 1 165 . 1 1 19 19 VAL N N 15 117.166 0.300 . 1 . . . . 19 VAL N . 10065 1 166 . 1 1 20 20 THR H H 1 9.345 0.030 . 1 . . . . 20 THR H . 10065 1 167 . 1 1 20 20 THR HA H 1 5.426 0.030 . 1 . . . . 20 THR HA . 10065 1 168 . 1 1 20 20 THR HB H 1 4.266 0.030 . 1 . . . . 20 THR HB . 10065 1 169 . 1 1 20 20 THR HG21 H 1 1.242 0.030 . 1 . . . . 20 THR HG2 . 10065 1 170 . 1 1 20 20 THR HG22 H 1 1.242 0.030 . 1 . . . . 20 THR HG2 . 10065 1 171 . 1 1 20 20 THR HG23 H 1 1.242 0.030 . 1 . . . . 20 THR HG2 . 10065 1 172 . 1 1 20 20 THR C C 13 174.115 0.300 . 1 . . . . 20 THR C . 10065 1 173 . 1 1 20 20 THR CA C 13 59.932 0.300 . 1 . . . . 20 THR CA . 10065 1 174 . 1 1 20 20 THR CB C 13 72.833 0.300 . 1 . . . . 20 THR CB . 10065 1 175 . 1 1 20 20 THR CG2 C 13 22.045 0.300 . 1 . . . . 20 THR CG2 . 10065 1 176 . 1 1 20 20 THR N N 15 111.595 0.300 . 1 . . . . 20 THR N . 10065 1 177 . 1 1 21 21 CYS H H 1 8.273 0.030 . 1 . . . . 21 CYS H . 10065 1 178 . 1 1 21 21 CYS HA H 1 4.505 0.030 . 1 . . . . 21 CYS HA . 10065 1 179 . 1 1 21 21 CYS HB2 H 1 2.633 0.030 . 2 . . . . 21 CYS HB2 . 10065 1 180 . 1 1 21 21 CYS HB3 H 1 1.793 0.030 . 2 . . . . 21 CYS HB3 . 10065 1 181 . 1 1 21 21 CYS C C 13 174.164 0.300 . 1 . . . . 21 CYS C . 10065 1 182 . 1 1 21 21 CYS CA C 13 59.087 0.300 . 1 . . . . 21 CYS CA . 10065 1 183 . 1 1 21 21 CYS CB C 13 27.676 0.300 . 1 . . . . 21 CYS CB . 10065 1 184 . 1 1 21 21 CYS N N 15 121.723 0.300 . 1 . . . . 21 CYS N . 10065 1 185 . 1 1 22 22 GLY H H 1 8.968 0.030 . 1 . . . . 22 GLY H . 10065 1 186 . 1 1 22 22 GLY HA2 H 1 4.194 0.030 . 2 . . . . 22 GLY HA2 . 10065 1 187 . 1 1 22 22 GLY HA3 H 1 3.704 0.030 . 2 . . . . 22 GLY HA3 . 10065 1 188 . 1 1 22 22 GLY C C 13 175.642 0.300 . 1 . . . . 22 GLY C . 10065 1 189 . 1 1 22 22 GLY CA C 13 47.027 0.300 . 1 . . . . 22 GLY CA . 10065 1 190 . 1 1 22 22 GLY N N 15 117.979 0.300 . 1 . . . . 22 GLY N . 10065 1 191 . 1 1 23 23 LYS H H 1 8.898 0.030 . 1 . . . . 23 LYS H . 10065 1 192 . 1 1 23 23 LYS HA H 1 4.349 0.030 . 1 . . . . 23 LYS HA . 10065 1 193 . 1 1 23 23 LYS HB2 H 1 1.961 0.030 . 2 . . . . 23 LYS HB2 . 10065 1 194 . 1 1 23 23 LYS HB3 H 1 1.866 0.030 . 2 . . . . 23 LYS HB3 . 10065 1 195 . 1 1 23 23 LYS HG2 H 1 1.475 0.030 . 1 . . . . 23 LYS HG2 . 10065 1 196 . 1 1 23 23 LYS HG3 H 1 1.475 0.030 . 1 . . . . 23 LYS HG3 . 10065 1 197 . 1 1 23 23 LYS HD2 H 1 1.729 0.030 . 1 . . . . 23 LYS HD2 . 10065 1 198 . 1 1 23 23 LYS HD3 H 1 1.729 0.030 . 1 . . . . 23 LYS HD3 . 10065 1 199 . 1 1 23 23 LYS HE2 H 1 3.033 0.030 . 1 . . . . 23 LYS HE2 . 10065 1 200 . 1 1 23 23 LYS HE3 H 1 3.033 0.030 . 1 . . . . 23 LYS HE3 . 10065 1 201 . 1 1 23 23 LYS C C 13 176.054 0.300 . 1 . . . . 23 LYS C . 10065 1 202 . 1 1 23 23 LYS CA C 13 56.942 0.300 . 1 . . . . 23 LYS CA . 10065 1 203 . 1 1 23 23 LYS CB C 13 32.708 0.300 . 1 . . . . 23 LYS CB . 10065 1 204 . 1 1 23 23 LYS CG C 13 24.617 0.300 . 1 . . . . 23 LYS CG . 10065 1 205 . 1 1 23 23 LYS CD C 13 29.172 0.300 . 1 . . . . 23 LYS CD . 10065 1 206 . 1 1 23 23 LYS CE C 13 42.164 0.300 . 1 . . . . 23 LYS CE . 10065 1 207 . 1 1 23 23 LYS N N 15 126.591 0.300 . 1 . . . . 23 LYS N . 10065 1 208 . 1 1 24 24 ALA H H 1 8.352 0.030 . 1 . . . . 24 ALA H . 10065 1 209 . 1 1 24 24 ALA HA H 1 4.577 0.030 . 1 . . . . 24 ALA HA . 10065 1 210 . 1 1 24 24 ALA HB1 H 1 0.995 0.030 . 1 . . . . 24 ALA HB . 10065 1 211 . 1 1 24 24 ALA HB2 H 1 0.995 0.030 . 1 . . . . 24 ALA HB . 10065 1 212 . 1 1 24 24 ALA HB3 H 1 0.995 0.030 . 1 . . . . 24 ALA HB . 10065 1 213 . 1 1 24 24 ALA C C 13 176.708 0.300 . 1 . . . . 24 ALA C . 10065 1 214 . 1 1 24 24 ALA CA C 13 51.973 0.300 . 1 . . . . 24 ALA CA . 10065 1 215 . 1 1 24 24 ALA CB C 13 20.481 0.300 . 1 . . . . 24 ALA CB . 10065 1 216 . 1 1 24 24 ALA N N 15 124.418 0.300 . 1 . . . . 24 ALA N . 10065 1 217 . 1 1 25 25 LYS H H 1 8.517 0.030 . 1 . . . . 25 LYS H . 10065 1 218 . 1 1 25 25 LYS HA H 1 5.332 0.030 . 1 . . . . 25 LYS HA . 10065 1 219 . 1 1 25 25 LYS HB2 H 1 1.964 0.030 . 2 . . . . 25 LYS HB2 . 10065 1 220 . 1 1 25 25 LYS HB3 H 1 1.765 0.030 . 2 . . . . 25 LYS HB3 . 10065 1 221 . 1 1 25 25 LYS HG2 H 1 1.487 0.030 . 2 . . . . 25 LYS HG2 . 10065 1 222 . 1 1 25 25 LYS HG3 H 1 1.441 0.030 . 2 . . . . 25 LYS HG3 . 10065 1 223 . 1 1 25 25 LYS HD2 H 1 1.690 0.030 . 1 . . . . 25 LYS HD2 . 10065 1 224 . 1 1 25 25 LYS HD3 H 1 1.690 0.030 . 1 . . . . 25 LYS HD3 . 10065 1 225 . 1 1 25 25 LYS HE2 H 1 2.980 0.030 . 1 . . . . 25 LYS HE2 . 10065 1 226 . 1 1 25 25 LYS HE3 H 1 2.980 0.030 . 1 . . . . 25 LYS HE3 . 10065 1 227 . 1 1 25 25 LYS C C 13 175.545 0.300 . 1 . . . . 25 LYS C . 10065 1 228 . 1 1 25 25 LYS CA C 13 55.323 0.300 . 1 . . . . 25 LYS CA . 10065 1 229 . 1 1 25 25 LYS CB C 13 36.408 0.300 . 1 . . . . 25 LYS CB . 10065 1 230 . 1 1 25 25 LYS CG C 13 24.897 0.300 . 1 . . . . 25 LYS CG . 10065 1 231 . 1 1 25 25 LYS CD C 13 29.309 0.300 . 1 . . . . 25 LYS CD . 10065 1 232 . 1 1 25 25 LYS CE C 13 42.113 0.300 . 1 . . . . 25 LYS CE . 10065 1 233 . 1 1 25 25 LYS N N 15 121.011 0.300 . 1 . . . . 25 LYS N . 10065 1 234 . 1 1 26 26 GLY H H 1 8.691 0.030 . 1 . . . . 26 GLY H . 10065 1 235 . 1 1 26 26 GLY HA2 H 1 4.438 0.030 . 2 . . . . 26 GLY HA2 . 10065 1 236 . 1 1 26 26 GLY HA3 H 1 3.357 0.030 . 2 . . . . 26 GLY HA3 . 10065 1 237 . 1 1 26 26 GLY C C 13 171.547 0.300 . 1 . . . . 26 GLY C . 10065 1 238 . 1 1 26 26 GLY CA C 13 45.922 0.300 . 1 . . . . 26 GLY CA . 10065 1 239 . 1 1 26 26 GLY N N 15 107.533 0.300 . 1 . . . . 26 GLY N . 10065 1 240 . 1 1 27 27 THR H H 1 8.718 0.030 . 1 . . . . 27 THR H . 10065 1 241 . 1 1 27 27 THR HA H 1 4.765 0.030 . 1 . . . . 27 THR HA . 10065 1 242 . 1 1 27 27 THR HB H 1 3.935 0.030 . 1 . . . . 27 THR HB . 10065 1 243 . 1 1 27 27 THR HG21 H 1 0.742 0.030 . 1 . . . . 27 THR HG2 . 10065 1 244 . 1 1 27 27 THR HG22 H 1 0.742 0.030 . 1 . . . . 27 THR HG2 . 10065 1 245 . 1 1 27 27 THR HG23 H 1 0.742 0.030 . 1 . . . . 27 THR HG2 . 10065 1 246 . 1 1 27 27 THR C C 13 172.419 0.300 . 1 . . . . 27 THR C . 10065 1 247 . 1 1 27 27 THR CA C 13 61.972 0.300 . 1 . . . . 27 THR CA . 10065 1 248 . 1 1 27 27 THR CB C 13 70.695 0.300 . 1 . . . . 27 THR CB . 10065 1 249 . 1 1 27 27 THR CG2 C 13 22.101 0.300 . 1 . . . . 27 THR CG2 . 10065 1 250 . 1 1 27 27 THR N N 15 118.301 0.300 . 1 . . . . 27 THR N . 10065 1 251 . 1 1 28 28 LEU H H 1 9.656 0.030 . 1 . . . . 28 LEU H . 10065 1 252 . 1 1 28 28 LEU HA H 1 4.778 0.030 . 1 . . . . 28 LEU HA . 10065 1 253 . 1 1 28 28 LEU HB2 H 1 1.922 0.030 . 2 . . . . 28 LEU HB2 . 10065 1 254 . 1 1 28 28 LEU HB3 H 1 1.273 0.030 . 2 . . . . 28 LEU HB3 . 10065 1 255 . 1 1 28 28 LEU HG H 1 1.410 0.030 . 1 . . . . 28 LEU HG . 10065 1 256 . 1 1 28 28 LEU HD11 H 1 0.891 0.030 . 1 . . . . 28 LEU HD1 . 10065 1 257 . 1 1 28 28 LEU HD12 H 1 0.891 0.030 . 1 . . . . 28 LEU HD1 . 10065 1 258 . 1 1 28 28 LEU HD13 H 1 0.891 0.030 . 1 . . . . 28 LEU HD1 . 10065 1 259 . 1 1 28 28 LEU HD21 H 1 0.864 0.030 . 1 . . . . 28 LEU HD2 . 10065 1 260 . 1 1 28 28 LEU HD22 H 1 0.864 0.030 . 1 . . . . 28 LEU HD2 . 10065 1 261 . 1 1 28 28 LEU HD23 H 1 0.864 0.030 . 1 . . . . 28 LEU HD2 . 10065 1 262 . 1 1 28 28 LEU C C 13 174.988 0.300 . 1 . . . . 28 LEU C . 10065 1 263 . 1 1 28 28 LEU CA C 13 54.584 0.300 . 1 . . . . 28 LEU CA . 10065 1 264 . 1 1 28 28 LEU CB C 13 44.783 0.300 . 1 . . . . 28 LEU CB . 10065 1 265 . 1 1 28 28 LEU CG C 13 28.085 0.300 . 1 . . . . 28 LEU CG . 10065 1 266 . 1 1 28 28 LEU CD1 C 13 24.947 0.300 . 2 . . . . 28 LEU CD1 . 10065 1 267 . 1 1 28 28 LEU CD2 C 13 25.926 0.300 . 2 . . . . 28 LEU CD2 . 10065 1 268 . 1 1 28 28 LEU N N 15 129.165 0.300 . 1 . . . . 28 LEU N . 10065 1 269 . 1 1 29 29 PHE H H 1 9.227 0.030 . 1 . . . . 29 PHE H . 10065 1 270 . 1 1 29 29 PHE HA H 1 4.773 0.030 . 1 . . . . 29 PHE HA . 10065 1 271 . 1 1 29 29 PHE HB2 H 1 3.309 0.030 . 2 . . . . 29 PHE HB2 . 10065 1 272 . 1 1 29 29 PHE HB3 H 1 3.127 0.030 . 2 . . . . 29 PHE HB3 . 10065 1 273 . 1 1 29 29 PHE HD1 H 1 7.451 0.030 . 1 . . . . 29 PHE HD1 . 10065 1 274 . 1 1 29 29 PHE HD2 H 1 7.451 0.030 . 1 . . . . 29 PHE HD2 . 10065 1 275 . 1 1 29 29 PHE HE1 H 1 7.216 0.030 . 1 . . . . 29 PHE HE1 . 10065 1 276 . 1 1 29 29 PHE HE2 H 1 7.216 0.030 . 1 . . . . 29 PHE HE2 . 10065 1 277 . 1 1 29 29 PHE HZ H 1 7.307 0.030 . 1 . . . . 29 PHE HZ . 10065 1 278 . 1 1 29 29 PHE C C 13 176.974 0.300 . 1 . . . . 29 PHE C . 10065 1 279 . 1 1 29 29 PHE CA C 13 57.328 0.300 . 1 . . . . 29 PHE CA . 10065 1 280 . 1 1 29 29 PHE CB C 13 38.052 0.300 . 1 . . . . 29 PHE CB . 10065 1 281 . 1 1 29 29 PHE CD1 C 13 131.931 0.300 . 1 . . . . 29 PHE CD1 . 10065 1 282 . 1 1 29 29 PHE CD2 C 13 131.931 0.300 . 1 . . . . 29 PHE CD2 . 10065 1 283 . 1 1 29 29 PHE CE1 C 13 132.160 0.300 . 1 . . . . 29 PHE CE1 . 10065 1 284 . 1 1 29 29 PHE CE2 C 13 132.160 0.300 . 1 . . . . 29 PHE CE2 . 10065 1 285 . 1 1 29 29 PHE CZ C 13 130.372 0.300 . 1 . . . . 29 PHE CZ . 10065 1 286 . 1 1 29 29 PHE N N 15 128.178 0.300 . 1 . . . . 29 PHE N . 10065 1 287 . 1 1 30 30 GLN H H 1 8.369 0.030 . 1 . . . . 30 GLN H . 10065 1 288 . 1 1 30 30 GLN HA H 1 3.898 0.030 . 1 . . . . 30 GLN HA . 10065 1 289 . 1 1 30 30 GLN HB2 H 1 2.213 0.030 . 2 . . . . 30 GLN HB2 . 10065 1 290 . 1 1 30 30 GLN HB3 H 1 2.083 0.030 . 2 . . . . 30 GLN HB3 . 10065 1 291 . 1 1 30 30 GLN HG2 H 1 2.357 0.030 . 2 . . . . 30 GLN HG2 . 10065 1 292 . 1 1 30 30 GLN HG3 H 1 2.038 0.030 . 2 . . . . 30 GLN HG3 . 10065 1 293 . 1 1 30 30 GLN HE21 H 1 7.417 0.030 . 2 . . . . 30 GLN HE21 . 10065 1 294 . 1 1 30 30 GLN HE22 H 1 6.753 0.030 . 2 . . . . 30 GLN HE22 . 10065 1 295 . 1 1 30 30 GLN C C 13 177.725 0.300 . 1 . . . . 30 GLN C . 10065 1 296 . 1 1 30 30 GLN CA C 13 61.374 0.300 . 1 . . . . 30 GLN CA . 10065 1 297 . 1 1 30 30 GLN CB C 13 29.526 0.300 . 1 . . . . 30 GLN CB . 10065 1 298 . 1 1 30 30 GLN CG C 13 34.846 0.300 . 1 . . . . 30 GLN CG . 10065 1 299 . 1 1 30 30 GLN N N 15 125.152 0.300 . 1 . . . . 30 GLN N . 10065 1 300 . 1 1 30 30 GLN NE2 N 15 111.016 0.300 . 1 . . . . 30 GLN NE2 . 10065 1 301 . 1 1 31 31 GLU H H 1 9.854 0.030 . 1 . . . . 31 GLU H . 10065 1 302 . 1 1 31 31 GLU HA H 1 4.110 0.030 . 1 . . . . 31 GLU HA . 10065 1 303 . 1 1 31 31 GLU HB2 H 1 2.133 0.030 . 1 . . . . 31 GLU HB2 . 10065 1 304 . 1 1 31 31 GLU HB3 H 1 2.133 0.030 . 1 . . . . 31 GLU HB3 . 10065 1 305 . 1 1 31 31 GLU HG2 H 1 2.449 0.030 . 2 . . . . 31 GLU HG2 . 10065 1 306 . 1 1 31 31 GLU HG3 H 1 2.352 0.030 . 2 . . . . 31 GLU HG3 . 10065 1 307 . 1 1 31 31 GLU C C 13 178.791 0.300 . 1 . . . . 31 GLU C . 10065 1 308 . 1 1 31 31 GLU CA C 13 59.193 0.300 . 1 . . . . 31 GLU CA . 10065 1 309 . 1 1 31 31 GLU CB C 13 29.337 0.300 . 1 . . . . 31 GLU CB . 10065 1 310 . 1 1 31 31 GLU CG C 13 36.408 0.300 . 1 . . . . 31 GLU CG . 10065 1 311 . 1 1 31 31 GLU N N 15 118.065 0.300 . 1 . . . . 31 GLU N . 10065 1 312 . 1 1 32 32 LYS H H 1 7.110 0.030 . 1 . . . . 32 LYS H . 10065 1 313 . 1 1 32 32 LYS HA H 1 4.226 0.030 . 1 . . . . 32 LYS HA . 10065 1 314 . 1 1 32 32 LYS HB2 H 1 2.003 0.030 . 2 . . . . 32 LYS HB2 . 10065 1 315 . 1 1 32 32 LYS HB3 H 1 1.895 0.030 . 2 . . . . 32 LYS HB3 . 10065 1 316 . 1 1 32 32 LYS HG2 H 1 1.500 0.030 . 2 . . . . 32 LYS HG2 . 10065 1 317 . 1 1 32 32 LYS HG3 H 1 1.387 0.030 . 2 . . . . 32 LYS HG3 . 10065 1 318 . 1 1 32 32 LYS HD2 H 1 1.417 0.030 . 2 . . . . 32 LYS HD2 . 10065 1 319 . 1 1 32 32 LYS HD3 H 1 1.334 0.030 . 2 . . . . 32 LYS HD3 . 10065 1 320 . 1 1 32 32 LYS HE2 H 1 2.477 0.030 . 2 . . . . 32 LYS HE2 . 10065 1 321 . 1 1 32 32 LYS HE3 H 1 2.343 0.030 . 2 . . . . 32 LYS HE3 . 10065 1 322 . 1 1 32 32 LYS C C 13 178.040 0.300 . 1 . . . . 32 LYS C . 10065 1 323 . 1 1 32 32 LYS CA C 13 58.525 0.300 . 1 . . . . 32 LYS CA . 10065 1 324 . 1 1 32 32 LYS CB C 13 32.955 0.300 . 1 . . . . 32 LYS CB . 10065 1 325 . 1 1 32 32 LYS CG C 13 26.387 0.300 . 1 . . . . 32 LYS CG . 10065 1 326 . 1 1 32 32 LYS CD C 13 28.994 0.300 . 1 . . . . 32 LYS CD . 10065 1 327 . 1 1 32 32 LYS CE C 13 41.835 0.300 . 1 . . . . 32 LYS CE . 10065 1 328 . 1 1 32 32 LYS N N 15 116.354 0.300 . 1 . . . . 32 LYS N . 10065 1 329 . 1 1 33 33 LEU H H 1 7.587 0.030 . 1 . . . . 33 LEU H . 10065 1 330 . 1 1 33 33 LEU HA H 1 4.227 0.030 . 1 . . . . 33 LEU HA . 10065 1 331 . 1 1 33 33 LEU HB2 H 1 1.996 0.030 . 2 . . . . 33 LEU HB2 . 10065 1 332 . 1 1 33 33 LEU HB3 H 1 1.665 0.030 . 2 . . . . 33 LEU HB3 . 10065 1 333 . 1 1 33 33 LEU HG H 1 1.788 0.030 . 1 . . . . 33 LEU HG . 10065 1 334 . 1 1 33 33 LEU HD11 H 1 1.101 0.030 . 1 . . . . 33 LEU HD1 . 10065 1 335 . 1 1 33 33 LEU HD12 H 1 1.101 0.030 . 1 . . . . 33 LEU HD1 . 10065 1 336 . 1 1 33 33 LEU HD13 H 1 1.101 0.030 . 1 . . . . 33 LEU HD1 . 10065 1 337 . 1 1 33 33 LEU HD21 H 1 0.993 0.030 . 1 . . . . 33 LEU HD2 . 10065 1 338 . 1 1 33 33 LEU HD22 H 1 0.993 0.030 . 1 . . . . 33 LEU HD2 . 10065 1 339 . 1 1 33 33 LEU HD23 H 1 0.993 0.030 . 1 . . . . 33 LEU HD2 . 10065 1 340 . 1 1 33 33 LEU C C 13 178.816 0.300 . 1 . . . . 33 LEU C . 10065 1 341 . 1 1 33 33 LEU CA C 13 56.942 0.300 . 1 . . . . 33 LEU CA . 10065 1 342 . 1 1 33 33 LEU CB C 13 41.753 0.300 . 1 . . . . 33 LEU CB . 10065 1 343 . 1 1 33 33 LEU CG C 13 27.446 0.300 . 1 . . . . 33 LEU CG . 10065 1 344 . 1 1 33 33 LEU CD1 C 13 26.295 0.300 . 2 . . . . 33 LEU CD1 . 10065 1 345 . 1 1 33 33 LEU CD2 C 13 22.984 0.300 . 2 . . . . 33 LEU CD2 . 10065 1 346 . 1 1 33 33 LEU N N 15 120.760 0.300 . 1 . . . . 33 LEU N . 10065 1 347 . 1 1 34 34 LYS H H 1 7.768 0.030 . 1 . . . . 34 LYS H . 10065 1 348 . 1 1 34 34 LYS HA H 1 3.885 0.030 . 1 . . . . 34 LYS HA . 10065 1 349 . 1 1 34 34 LYS HB2 H 1 1.816 0.030 . 1 . . . . 34 LYS HB2 . 10065 1 350 . 1 1 34 34 LYS HB3 H 1 1.816 0.030 . 1 . . . . 34 LYS HB3 . 10065 1 351 . 1 1 34 34 LYS HG2 H 1 1.396 0.030 . 2 . . . . 34 LYS HG2 . 10065 1 352 . 1 1 34 34 LYS HG3 H 1 1.295 0.030 . 2 . . . . 34 LYS HG3 . 10065 1 353 . 1 1 34 34 LYS HD2 H 1 1.573 0.030 . 1 . . . . 34 LYS HD2 . 10065 1 354 . 1 1 34 34 LYS HD3 H 1 1.573 0.030 . 1 . . . . 34 LYS HD3 . 10065 1 355 . 1 1 34 34 LYS HE2 H 1 2.819 0.030 . 1 . . . . 34 LYS HE2 . 10065 1 356 . 1 1 34 34 LYS HE3 H 1 2.819 0.030 . 1 . . . . 34 LYS HE3 . 10065 1 357 . 1 1 34 34 LYS C C 13 177.532 0.300 . 1 . . . . 34 LYS C . 10065 1 358 . 1 1 34 34 LYS CA C 13 58.665 0.300 . 1 . . . . 34 LYS CA . 10065 1 359 . 1 1 34 34 LYS CB C 13 32.626 0.300 . 1 . . . . 34 LYS CB . 10065 1 360 . 1 1 34 34 LYS CG C 13 25.254 0.300 . 1 . . . . 34 LYS CG . 10065 1 361 . 1 1 34 34 LYS CD C 13 29.501 0.300 . 1 . . . . 34 LYS CD . 10065 1 362 . 1 1 34 34 LYS CE C 13 41.999 0.300 . 1 . . . . 34 LYS CE . 10065 1 363 . 1 1 34 34 LYS N N 15 117.820 0.300 . 1 . . . . 34 LYS N . 10065 1 364 . 1 1 35 35 GLN H H 1 7.299 0.030 . 1 . . . . 35 GLN H . 10065 1 365 . 1 1 35 35 GLN HA H 1 4.224 0.030 . 1 . . . . 35 GLN HA . 10065 1 366 . 1 1 35 35 GLN HB2 H 1 2.249 0.030 . 2 . . . . 35 GLN HB2 . 10065 1 367 . 1 1 35 35 GLN HB3 H 1 2.154 0.030 . 2 . . . . 35 GLN HB3 . 10065 1 368 . 1 1 35 35 GLN HG2 H 1 2.586 0.030 . 2 . . . . 35 GLN HG2 . 10065 1 369 . 1 1 35 35 GLN HG3 H 1 2.423 0.030 . 2 . . . . 35 GLN HG3 . 10065 1 370 . 1 1 35 35 GLN HE21 H 1 7.484 0.030 . 2 . . . . 35 GLN HE21 . 10065 1 371 . 1 1 35 35 GLN HE22 H 1 6.871 0.030 . 2 . . . . 35 GLN HE22 . 10065 1 372 . 1 1 35 35 GLN C C 13 176.562 0.300 . 1 . . . . 35 GLN C . 10065 1 373 . 1 1 35 35 GLN CA C 13 56.694 0.300 . 1 . . . . 35 GLN CA . 10065 1 374 . 1 1 35 35 GLN CB C 13 28.844 0.300 . 1 . . . . 35 GLN CB . 10065 1 375 . 1 1 35 35 GLN CG C 13 34.024 0.300 . 1 . . . . 35 GLN CG . 10065 1 376 . 1 1 35 35 GLN N N 15 114.983 0.300 . 1 . . . . 35 GLN N . 10065 1 377 . 1 1 35 35 GLN NE2 N 15 111.963 0.300 . 1 . . . . 35 GLN NE2 . 10065 1 378 . 1 1 36 36 GLY H H 1 7.677 0.030 . 1 . . . . 36 GLY H . 10065 1 379 . 1 1 36 36 GLY HA2 H 1 4.464 0.030 . 2 . . . . 36 GLY HA2 . 10065 1 380 . 1 1 36 36 GLY HA3 H 1 3.822 0.030 . 2 . . . . 36 GLY HA3 . 10065 1 381 . 1 1 36 36 GLY C C 13 173.219 0.300 . 1 . . . . 36 GLY C . 10065 1 382 . 1 1 36 36 GLY CA C 13 45.568 0.300 . 1 . . . . 36 GLY CA . 10065 1 383 . 1 1 36 36 GLY N N 15 108.769 0.300 . 1 . . . . 36 GLY N . 10065 1 384 . 1 1 37 37 ALA H H 1 8.519 0.030 . 1 . . . . 37 ALA H . 10065 1 385 . 1 1 37 37 ALA HA H 1 4.096 0.030 . 1 . . . . 37 ALA HA . 10065 1 386 . 1 1 37 37 ALA HB1 H 1 1.311 0.030 . 1 . . . . 37 ALA HB . 10065 1 387 . 1 1 37 37 ALA HB2 H 1 1.311 0.030 . 1 . . . . 37 ALA HB . 10065 1 388 . 1 1 37 37 ALA HB3 H 1 1.311 0.030 . 1 . . . . 37 ALA HB . 10065 1 389 . 1 1 37 37 ALA C C 13 178.743 0.300 . 1 . . . . 37 ALA C . 10065 1 390 . 1 1 37 37 ALA CA C 13 54.061 0.300 . 1 . . . . 37 ALA CA . 10065 1 391 . 1 1 37 37 ALA CB C 13 18.336 0.300 . 1 . . . . 37 ALA CB . 10065 1 392 . 1 1 37 37 ALA N N 15 123.572 0.300 . 1 . . . . 37 ALA N . 10065 1 393 . 1 1 38 38 SER H H 1 8.261 0.030 . 1 . . . . 38 SER H . 10065 1 394 . 1 1 38 38 SER HA H 1 4.455 0.030 . 1 . . . . 38 SER HA . 10065 1 395 . 1 1 38 38 SER HB2 H 1 4.048 0.030 . 2 . . . . 38 SER HB2 . 10065 1 396 . 1 1 38 38 SER HB3 H 1 3.919 0.030 . 2 . . . . 38 SER HB3 . 10065 1 397 . 1 1 38 38 SER C C 13 174.115 0.300 . 1 . . . . 38 SER C . 10065 1 398 . 1 1 38 38 SER CA C 13 58.349 0.300 . 1 . . . . 38 SER CA . 10065 1 399 . 1 1 38 38 SER CB C 13 63.321 0.300 . 1 . . . . 38 SER CB . 10065 1 400 . 1 1 38 38 SER N N 15 111.876 0.300 . 1 . . . . 38 SER N . 10065 1 401 . 1 1 39 39 LYS H H 1 7.492 0.030 . 1 . . . . 39 LYS H . 10065 1 402 . 1 1 39 39 LYS HA H 1 4.290 0.030 . 1 . . . . 39 LYS HA . 10065 1 403 . 1 1 39 39 LYS HB2 H 1 1.878 0.030 . 2 . . . . 39 LYS HB2 . 10065 1 404 . 1 1 39 39 LYS HB3 H 1 1.674 0.030 . 2 . . . . 39 LYS HB3 . 10065 1 405 . 1 1 39 39 LYS HG2 H 1 1.375 0.030 . 2 . . . . 39 LYS HG2 . 10065 1 406 . 1 1 39 39 LYS HG3 H 1 1.297 0.030 . 2 . . . . 39 LYS HG3 . 10065 1 407 . 1 1 39 39 LYS HD2 H 1 1.560 0.030 . 1 . . . . 39 LYS HD2 . 10065 1 408 . 1 1 39 39 LYS HD3 H 1 1.560 0.030 . 1 . . . . 39 LYS HD3 . 10065 1 409 . 1 1 39 39 LYS HE2 H 1 2.912 0.030 . 2 . . . . 39 LYS HE2 . 10065 1 410 . 1 1 39 39 LYS HE3 H 1 2.861 0.030 . 2 . . . . 39 LYS HE3 . 10065 1 411 . 1 1 39 39 LYS C C 13 177.386 0.300 . 1 . . . . 39 LYS C . 10065 1 412 . 1 1 39 39 LYS CA C 13 54.338 0.300 . 1 . . . . 39 LYS CA . 10065 1 413 . 1 1 39 39 LYS CB C 13 32.320 0.300 . 1 . . . . 39 LYS CB . 10065 1 414 . 1 1 39 39 LYS CG C 13 24.897 0.300 . 1 . . . . 39 LYS CG . 10065 1 415 . 1 1 39 39 LYS CD C 13 27.907 0.300 . 1 . . . . 39 LYS CD . 10065 1 416 . 1 1 39 39 LYS CE C 13 42.375 0.300 . 1 . . . . 39 LYS CE . 10065 1 417 . 1 1 39 39 LYS N N 15 120.817 0.300 . 1 . . . . 39 LYS N . 10065 1 418 . 1 1 40 40 LYS H H 1 8.517 0.030 . 1 . . . . 40 LYS H . 10065 1 419 . 1 1 40 40 LYS HA H 1 3.846 0.030 . 1 . . . . 40 LYS HA . 10065 1 420 . 1 1 40 40 LYS HB2 H 1 1.846 0.030 . 2 . . . . 40 LYS HB2 . 10065 1 421 . 1 1 40 40 LYS HB3 H 1 1.484 0.030 . 2 . . . . 40 LYS HB3 . 10065 1 422 . 1 1 40 40 LYS HG2 H 1 1.522 0.030 . 2 . . . . 40 LYS HG2 . 10065 1 423 . 1 1 40 40 LYS HG3 H 1 1.443 0.030 . 2 . . . . 40 LYS HG3 . 10065 1 424 . 1 1 40 40 LYS HD2 H 1 1.733 0.030 . 2 . . . . 40 LYS HD2 . 10065 1 425 . 1 1 40 40 LYS HD3 H 1 1.463 0.030 . 2 . . . . 40 LYS HD3 . 10065 1 426 . 1 1 40 40 LYS HE2 H 1 3.098 0.030 . 1 . . . . 40 LYS HE2 . 10065 1 427 . 1 1 40 40 LYS HE3 H 1 3.098 0.030 . 1 . . . . 40 LYS HE3 . 10065 1 428 . 1 1 40 40 LYS C C 13 176.199 0.300 . 1 . . . . 40 LYS C . 10065 1 429 . 1 1 40 40 LYS CA C 13 56.449 0.300 . 1 . . . . 40 LYS CA . 10065 1 430 . 1 1 40 40 LYS CB C 13 32.272 0.300 . 1 . . . . 40 LYS CB . 10065 1 431 . 1 1 40 40 LYS CG C 13 24.746 0.300 . 1 . . . . 40 LYS CG . 10065 1 432 . 1 1 40 40 LYS CD C 13 29.704 0.300 . 1 . . . . 40 LYS CD . 10065 1 433 . 1 1 40 40 LYS CE C 13 42.039 0.300 . 1 . . . . 40 LYS CE . 10065 1 434 . 1 1 40 40 LYS N N 15 121.174 0.300 . 1 . . . . 40 LYS N . 10065 1 435 . 1 1 41 41 CYS H H 1 8.195 0.030 . 1 . . . . 41 CYS H . 10065 1 436 . 1 1 41 41 CYS HA H 1 4.932 0.030 . 1 . . . . 41 CYS HA . 10065 1 437 . 1 1 41 41 CYS HB2 H 1 3.153 0.030 . 2 . . . . 41 CYS HB2 . 10065 1 438 . 1 1 41 41 CYS HB3 H 1 2.512 0.030 . 2 . . . . 41 CYS HB3 . 10065 1 439 . 1 1 41 41 CYS C C 13 171.693 0.300 . 1 . . . . 41 CYS C . 10065 1 440 . 1 1 41 41 CYS CA C 13 57.082 0.300 . 1 . . . . 41 CYS CA . 10065 1 441 . 1 1 41 41 CYS CB C 13 29.825 0.300 . 1 . . . . 41 CYS CB . 10065 1 442 . 1 1 41 41 CYS N N 15 116.268 0.300 . 1 . . . . 41 CYS N . 10065 1 443 . 1 1 42 42 ILE H H 1 8.842 0.030 . 1 . . . . 42 ILE H . 10065 1 444 . 1 1 42 42 ILE HA H 1 5.248 0.030 . 1 . . . . 42 ILE HA . 10065 1 445 . 1 1 42 42 ILE HB H 1 1.286 0.030 . 1 . . . . 42 ILE HB . 10065 1 446 . 1 1 42 42 ILE HG12 H 1 1.789 0.030 . 2 . . . . 42 ILE HG12 . 10065 1 447 . 1 1 42 42 ILE HG13 H 1 0.383 0.030 . 2 . . . . 42 ILE HG13 . 10065 1 448 . 1 1 42 42 ILE HG21 H 1 -0.183 0.030 . 1 . . . . 42 ILE HG2 . 10065 1 449 . 1 1 42 42 ILE HG22 H 1 -0.183 0.030 . 1 . . . . 42 ILE HG2 . 10065 1 450 . 1 1 42 42 ILE HG23 H 1 -0.183 0.030 . 1 . . . . 42 ILE HG2 . 10065 1 451 . 1 1 42 42 ILE HD11 H 1 0.387 0.030 . 1 . . . . 42 ILE HD1 . 10065 1 452 . 1 1 42 42 ILE HD12 H 1 0.387 0.030 . 1 . . . . 42 ILE HD1 . 10065 1 453 . 1 1 42 42 ILE HD13 H 1 0.387 0.030 . 1 . . . . 42 ILE HD1 . 10065 1 454 . 1 1 42 42 ILE C C 13 173.752 0.300 . 1 . . . . 42 ILE C . 10065 1 455 . 1 1 42 42 ILE CA C 13 59.510 0.300 . 1 . . . . 42 ILE CA . 10065 1 456 . 1 1 42 42 ILE CB C 13 41.882 0.300 . 1 . . . . 42 ILE CB . 10065 1 457 . 1 1 42 42 ILE CG1 C 13 29.788 0.300 . 1 . . . . 42 ILE CG1 . 10065 1 458 . 1 1 42 42 ILE CG2 C 13 16.255 0.300 . 1 . . . . 42 ILE CG2 . 10065 1 459 . 1 1 42 42 ILE CD1 C 13 14.040 0.300 . 1 . . . . 42 ILE CD1 . 10065 1 460 . 1 1 42 42 ILE N N 15 126.199 0.300 . 1 . . . . 42 ILE N . 10065 1 461 . 1 1 43 43 GLN H H 1 8.771 0.030 . 1 . . . . 43 GLN H . 10065 1 462 . 1 1 43 43 GLN HA H 1 4.882 0.030 . 1 . . . . 43 GLN HA . 10065 1 463 . 1 1 43 43 GLN HB2 H 1 1.572 0.030 . 2 . . . . 43 GLN HB2 . 10065 1 464 . 1 1 43 43 GLN HB3 H 1 0.195 0.030 . 2 . . . . 43 GLN HB3 . 10065 1 465 . 1 1 43 43 GLN HG2 H 1 1.446 0.030 . 2 . . . . 43 GLN HG2 . 10065 1 466 . 1 1 43 43 GLN HG3 H 1 0.528 0.030 . 2 . . . . 43 GLN HG3 . 10065 1 467 . 1 1 43 43 GLN HE21 H 1 6.570 0.030 . 2 . . . . 43 GLN HE21 . 10065 1 468 . 1 1 43 43 GLN HE22 H 1 6.289 0.030 . 2 . . . . 43 GLN HE22 . 10065 1 469 . 1 1 43 43 GLN C C 13 177.556 0.300 . 1 . . . . 43 GLN C . 10065 1 470 . 1 1 43 43 GLN CA C 13 53.001 0.300 . 1 . . . . 43 GLN CA . 10065 1 471 . 1 1 43 43 GLN CB C 13 30.715 0.300 . 1 . . . . 43 GLN CB . 10065 1 472 . 1 1 43 43 GLN CG C 13 33.201 0.300 . 1 . . . . 43 GLN CG . 10065 1 473 . 1 1 43 43 GLN N N 15 127.011 0.300 . 1 . . . . 43 GLN N . 10065 1 474 . 1 1 43 43 GLN NE2 N 15 110.172 0.300 . 1 . . . . 43 GLN NE2 . 10065 1 475 . 1 1 44 44 ASN H H 1 8.725 0.030 . 1 . . . . 44 ASN H . 10065 1 476 . 1 1 44 44 ASN HA H 1 4.949 0.030 . 1 . . . . 44 ASN HA . 10065 1 477 . 1 1 44 44 ASN HB2 H 1 3.978 0.030 . 2 . . . . 44 ASN HB2 . 10065 1 478 . 1 1 44 44 ASN HB3 H 1 2.839 0.030 . 2 . . . . 44 ASN HB3 . 10065 1 479 . 1 1 44 44 ASN HD21 H 1 8.841 0.030 . 2 . . . . 44 ASN HD21 . 10065 1 480 . 1 1 44 44 ASN HD22 H 1 7.557 0.030 . 2 . . . . 44 ASN HD22 . 10065 1 481 . 1 1 44 44 ASN C C 13 176.611 0.300 . 1 . . . . 44 ASN C . 10065 1 482 . 1 1 44 44 ASN CA C 13 51.770 0.300 . 1 . . . . 44 ASN CA . 10065 1 483 . 1 1 44 44 ASN CB C 13 38.218 0.300 . 1 . . . . 44 ASN CB . 10065 1 484 . 1 1 44 44 ASN N N 15 126.331 0.300 . 1 . . . . 44 ASN N . 10065 1 485 . 1 1 44 44 ASN ND2 N 15 112.990 0.300 . 1 . . . . 44 ASN ND2 . 10065 1 486 . 1 1 45 45 GLU H H 1 8.471 0.030 . 1 . . . . 45 GLU H . 10065 1 487 . 1 1 45 45 GLU HA H 1 3.964 0.030 . 1 . . . . 45 GLU HA . 10065 1 488 . 1 1 45 45 GLU HB2 H 1 2.061 0.030 . 1 . . . . 45 GLU HB2 . 10065 1 489 . 1 1 45 45 GLU HB3 H 1 2.061 0.030 . 1 . . . . 45 GLU HB3 . 10065 1 490 . 1 1 45 45 GLU HG2 H 1 2.372 0.030 . 2 . . . . 45 GLU HG2 . 10065 1 491 . 1 1 45 45 GLU HG3 H 1 2.234 0.030 . 2 . . . . 45 GLU HG3 . 10065 1 492 . 1 1 45 45 GLU C C 13 177.071 0.300 . 1 . . . . 45 GLU C . 10065 1 493 . 1 1 45 45 GLU CA C 13 59.474 0.300 . 1 . . . . 45 GLU CA . 10065 1 494 . 1 1 45 45 GLU CB C 13 29.584 0.300 . 1 . . . . 45 GLU CB . 10065 1 495 . 1 1 45 45 GLU CG C 13 37.064 0.300 . 1 . . . . 45 GLU CG . 10065 1 496 . 1 1 45 45 GLU N N 15 119.012 0.300 . 1 . . . . 45 GLU N . 10065 1 497 . 1 1 46 46 ALA H H 1 7.505 0.030 . 1 . . . . 46 ALA H . 10065 1 498 . 1 1 46 46 ALA HA H 1 4.310 0.030 . 1 . . . . 46 ALA HA . 10065 1 499 . 1 1 46 46 ALA HB1 H 1 1.446 0.030 . 1 . . . . 46 ALA HB . 10065 1 500 . 1 1 46 46 ALA HB2 H 1 1.446 0.030 . 1 . . . . 46 ALA HB . 10065 1 501 . 1 1 46 46 ALA HB3 H 1 1.446 0.030 . 1 . . . . 46 ALA HB . 10065 1 502 . 1 1 46 46 ALA C C 13 177.725 0.300 . 1 . . . . 46 ALA C . 10065 1 503 . 1 1 46 46 ALA CA C 13 52.471 0.300 . 1 . . . . 46 ALA CA . 10065 1 504 . 1 1 46 46 ALA CB C 13 18.881 0.300 . 1 . . . . 46 ALA CB . 10065 1 505 . 1 1 46 46 ALA N N 15 120.041 0.300 . 1 . . . . 46 ALA N . 10065 1 506 . 1 1 47 47 GLY H H 1 7.875 0.030 . 1 . . . . 47 GLY H . 10065 1 507 . 1 1 47 47 GLY HA2 H 1 4.273 0.030 . 2 . . . . 47 GLY HA2 . 10065 1 508 . 1 1 47 47 GLY HA3 H 1 3.332 0.030 . 2 . . . . 47 GLY HA3 . 10065 1 509 . 1 1 47 47 GLY C C 13 174.333 0.300 . 1 . . . . 47 GLY C . 10065 1 510 . 1 1 47 47 GLY CA C 13 44.537 0.300 . 1 . . . . 47 GLY CA . 10065 1 511 . 1 1 47 47 GLY N N 15 106.433 0.300 . 1 . . . . 47 GLY N . 10065 1 512 . 1 1 48 48 ASP H H 1 8.130 0.030 . 1 . . . . 48 ASP H . 10065 1 513 . 1 1 48 48 ASP HA H 1 4.623 0.030 . 1 . . . . 48 ASP HA . 10065 1 514 . 1 1 48 48 ASP HB2 H 1 2.654 0.030 . 2 . . . . 48 ASP HB2 . 10065 1 515 . 1 1 48 48 ASP HB3 H 1 2.472 0.030 . 2 . . . . 48 ASP HB3 . 10065 1 516 . 1 1 48 48 ASP C C 13 175.060 0.300 . 1 . . . . 48 ASP C . 10065 1 517 . 1 1 48 48 ASP CA C 13 54.232 0.300 . 1 . . . . 48 ASP CA . 10065 1 518 . 1 1 48 48 ASP CB C 13 41.341 0.300 . 1 . . . . 48 ASP CB . 10065 1 519 . 1 1 48 48 ASP N N 15 122.774 0.300 . 1 . . . . 48 ASP N . 10065 1 520 . 1 1 49 49 TRP H H 1 8.651 0.030 . 1 . . . . 49 TRP H . 10065 1 521 . 1 1 49 49 TRP HA H 1 5.018 0.030 . 1 . . . . 49 TRP HA . 10065 1 522 . 1 1 49 49 TRP HB2 H 1 3.055 0.030 . 2 . . . . 49 TRP HB2 . 10065 1 523 . 1 1 49 49 TRP HB3 H 1 2.920 0.030 . 2 . . . . 49 TRP HB3 . 10065 1 524 . 1 1 49 49 TRP HD1 H 1 7.345 0.030 . 1 . . . . 49 TRP HD1 . 10065 1 525 . 1 1 49 49 TRP HE1 H 1 10.084 0.030 . 1 . . . . 49 TRP HE1 . 10065 1 526 . 1 1 49 49 TRP HE3 H 1 6.991 0.030 . 1 . . . . 49 TRP HE3 . 10065 1 527 . 1 1 49 49 TRP HZ2 H 1 6.981 0.030 . 1 . . . . 49 TRP HZ2 . 10065 1 528 . 1 1 49 49 TRP HH2 H 1 5.200 0.030 . 1 . . . . 49 TRP HH2 . 10065 1 529 . 1 1 49 49 TRP C C 13 176.369 0.300 . 1 . . . . 49 TRP C . 10065 1 530 . 1 1 49 49 TRP CA C 13 57.012 0.300 . 1 . . . . 49 TRP CA . 10065 1 531 . 1 1 49 49 TRP CB C 13 30.932 0.300 . 1 . . . . 49 TRP CB . 10065 1 532 . 1 1 49 49 TRP CD1 C 13 127.284 0.300 . 1 . . . . 49 TRP CD1 . 10065 1 533 . 1 1 49 49 TRP CE3 C 13 119.114 0.300 . 1 . . . . 49 TRP CE3 . 10065 1 534 . 1 1 49 49 TRP CZ2 C 13 114.648 0.300 . 1 . . . . 49 TRP CZ2 . 10065 1 535 . 1 1 49 49 TRP CZ3 C 13 121.053 0.300 . 1 . . . . 49 TRP CZ3 . 10065 1 536 . 1 1 49 49 TRP CH2 C 13 124.366 0.300 . 1 . . . . 49 TRP CH2 . 10065 1 537 . 1 1 49 49 TRP N N 15 120.221 0.300 . 1 . . . . 49 TRP N . 10065 1 538 . 1 1 49 49 TRP NE1 N 15 129.545 0.300 . 1 . . . . 49 TRP NE1 . 10065 1 539 . 1 1 50 50 LEU H H 1 10.111 0.030 . 1 . . . . 50 LEU H . 10065 1 540 . 1 1 50 50 LEU HA H 1 5.228 0.030 . 1 . . . . 50 LEU HA . 10065 1 541 . 1 1 50 50 LEU HB2 H 1 1.970 0.030 . 2 . . . . 50 LEU HB2 . 10065 1 542 . 1 1 50 50 LEU HB3 H 1 1.555 0.030 . 2 . . . . 50 LEU HB3 . 10065 1 543 . 1 1 50 50 LEU HG H 1 1.617 0.030 . 1 . . . . 50 LEU HG . 10065 1 544 . 1 1 50 50 LEU HD11 H 1 0.985 0.030 . 1 . . . . 50 LEU HD1 . 10065 1 545 . 1 1 50 50 LEU HD12 H 1 0.985 0.030 . 1 . . . . 50 LEU HD1 . 10065 1 546 . 1 1 50 50 LEU HD13 H 1 0.985 0.030 . 1 . . . . 50 LEU HD1 . 10065 1 547 . 1 1 50 50 LEU HD21 H 1 0.901 0.030 . 1 . . . . 50 LEU HD2 . 10065 1 548 . 1 1 50 50 LEU HD22 H 1 0.901 0.030 . 1 . . . . 50 LEU HD2 . 10065 1 549 . 1 1 50 50 LEU HD23 H 1 0.901 0.030 . 1 . . . . 50 LEU HD2 . 10065 1 550 . 1 1 50 50 LEU C C 13 178.355 0.300 . 1 . . . . 50 LEU C . 10065 1 551 . 1 1 50 50 LEU CA C 13 54.127 0.300 . 1 . . . . 50 LEU CA . 10065 1 552 . 1 1 50 50 LEU CB C 13 46.546 0.300 . 1 . . . . 50 LEU CB . 10065 1 553 . 1 1 50 50 LEU CG C 13 27.196 0.300 . 1 . . . . 50 LEU CG . 10065 1 554 . 1 1 50 50 LEU CD1 C 13 27.117 0.300 . 2 . . . . 50 LEU CD1 . 10065 1 555 . 1 1 50 50 LEU CD2 C 13 23.828 0.300 . 2 . . . . 50 LEU CD2 . 10065 1 556 . 1 1 50 50 LEU N N 15 124.534 0.300 . 1 . . . . 50 LEU N . 10065 1 557 . 1 1 51 51 THR H H 1 9.361 0.030 . 1 . . . . 51 THR H . 10065 1 558 . 1 1 51 51 THR HA H 1 4.817 0.030 . 1 . . . . 51 THR HA . 10065 1 559 . 1 1 51 51 THR HB H 1 4.652 0.030 . 1 . . . . 51 THR HB . 10065 1 560 . 1 1 51 51 THR HG21 H 1 1.121 0.030 . 1 . . . . 51 THR HG2 . 10065 1 561 . 1 1 51 51 THR HG22 H 1 1.121 0.030 . 1 . . . . 51 THR HG2 . 10065 1 562 . 1 1 51 51 THR HG23 H 1 1.121 0.030 . 1 . . . . 51 THR HG2 . 10065 1 563 . 1 1 51 51 THR C C 13 175.472 0.300 . 1 . . . . 51 THR C . 10065 1 564 . 1 1 51 51 THR CA C 13 60.565 0.300 . 1 . . . . 51 THR CA . 10065 1 565 . 1 1 51 51 THR CB C 13 71.188 0.300 . 1 . . . . 51 THR CB . 10065 1 566 . 1 1 51 51 THR CG2 C 13 22.101 0.300 . 1 . . . . 51 THR CG2 . 10065 1 567 . 1 1 51 51 THR N N 15 113.572 0.300 . 1 . . . . 51 THR N . 10065 1 568 . 1 1 52 52 VAL H H 1 8.663 0.030 . 1 . . . . 52 VAL H . 10065 1 569 . 1 1 52 52 VAL HA H 1 3.492 0.030 . 1 . . . . 52 VAL HA . 10065 1 570 . 1 1 52 52 VAL HB H 1 1.535 0.030 . 1 . . . . 52 VAL HB . 10065 1 571 . 1 1 52 52 VAL HG11 H 1 0.326 0.030 . 1 . . . . 52 VAL HG1 . 10065 1 572 . 1 1 52 52 VAL HG12 H 1 0.326 0.030 . 1 . . . . 52 VAL HG1 . 10065 1 573 . 1 1 52 52 VAL HG13 H 1 0.326 0.030 . 1 . . . . 52 VAL HG1 . 10065 1 574 . 1 1 52 52 VAL HG21 H 1 0.211 0.030 . 1 . . . . 52 VAL HG2 . 10065 1 575 . 1 1 52 52 VAL HG22 H 1 0.211 0.030 . 1 . . . . 52 VAL HG2 . 10065 1 576 . 1 1 52 52 VAL HG23 H 1 0.211 0.030 . 1 . . . . 52 VAL HG2 . 10065 1 577 . 1 1 52 52 VAL C C 13 177.677 0.300 . 1 . . . . 52 VAL C . 10065 1 578 . 1 1 52 52 VAL CA C 13 67.651 0.300 . 1 . . . . 52 VAL CA . 10065 1 579 . 1 1 52 52 VAL CB C 13 31.110 0.300 . 1 . . . . 52 VAL CB . 10065 1 580 . 1 1 52 52 VAL CG1 C 13 21.115 0.300 . 2 . . . . 52 VAL CG1 . 10065 1 581 . 1 1 52 52 VAL CG2 C 13 21.257 0.300 . 2 . . . . 52 VAL CG2 . 10065 1 582 . 1 1 52 52 VAL N N 15 117.885 0.300 . 1 . . . . 52 VAL N . 10065 1 583 . 1 1 53 53 LYS H H 1 7.964 0.030 . 1 . . . . 53 LYS H . 10065 1 584 . 1 1 53 53 LYS HA H 1 3.907 0.030 . 1 . . . . 53 LYS HA . 10065 1 585 . 1 1 53 53 LYS HB2 H 1 1.772 0.030 . 1 . . . . 53 LYS HB2 . 10065 1 586 . 1 1 53 53 LYS HB3 H 1 1.772 0.030 . 1 . . . . 53 LYS HB3 . 10065 1 587 . 1 1 53 53 LYS HG2 H 1 1.510 0.030 . 2 . . . . 53 LYS HG2 . 10065 1 588 . 1 1 53 53 LYS HG3 H 1 1.394 0.030 . 2 . . . . 53 LYS HG3 . 10065 1 589 . 1 1 53 53 LYS HD2 H 1 1.726 0.030 . 1 . . . . 53 LYS HD2 . 10065 1 590 . 1 1 53 53 LYS HD3 H 1 1.726 0.030 . 1 . . . . 53 LYS HD3 . 10065 1 591 . 1 1 53 53 LYS HE2 H 1 3.035 0.030 . 1 . . . . 53 LYS HE2 . 10065 1 592 . 1 1 53 53 LYS HE3 H 1 3.035 0.030 . 1 . . . . 53 LYS HE3 . 10065 1 593 . 1 1 53 53 LYS C C 13 179.494 0.300 . 1 . . . . 53 LYS C . 10065 1 594 . 1 1 53 53 LYS CA C 13 59.967 0.300 . 1 . . . . 53 LYS CA . 10065 1 595 . 1 1 53 53 LYS CB C 13 32.461 0.300 . 1 . . . . 53 LYS CB . 10065 1 596 . 1 1 53 53 LYS CG C 13 25.467 0.300 . 1 . . . . 53 LYS CG . 10065 1 597 . 1 1 53 53 LYS CD C 13 29.172 0.300 . 1 . . . . 53 LYS CD . 10065 1 598 . 1 1 53 53 LYS CE C 13 42.081 0.300 . 1 . . . . 53 LYS CE . 10065 1 599 . 1 1 53 53 LYS N N 15 118.283 0.300 . 1 . . . . 53 LYS N . 10065 1 600 . 1 1 54 54 GLU H H 1 7.916 0.030 . 1 . . . . 54 GLU H . 10065 1 601 . 1 1 54 54 GLU HA H 1 4.055 0.030 . 1 . . . . 54 GLU HA . 10065 1 602 . 1 1 54 54 GLU HB2 H 1 2.406 0.030 . 2 . . . . 54 GLU HB2 . 10065 1 603 . 1 1 54 54 GLU HB3 H 1 2.142 0.030 . 2 . . . . 54 GLU HB3 . 10065 1 604 . 1 1 54 54 GLU HG2 H 1 2.384 0.030 . 1 . . . . 54 GLU HG2 . 10065 1 605 . 1 1 54 54 GLU HG3 H 1 2.384 0.030 . 1 . . . . 54 GLU HG3 . 10065 1 606 . 1 1 54 54 GLU C C 13 179.785 0.300 . 1 . . . . 54 GLU C . 10065 1 607 . 1 1 54 54 GLU CA C 13 58.982 0.300 . 1 . . . . 54 GLU CA . 10065 1 608 . 1 1 54 54 GLU CB C 13 30.709 0.300 . 1 . . . . 54 GLU CB . 10065 1 609 . 1 1 54 54 GLU CG C 13 37.641 0.300 . 1 . . . . 54 GLU CG . 10065 1 610 . 1 1 54 54 GLU N N 15 119.143 0.300 . 1 . . . . 54 GLU N . 10065 1 611 . 1 1 55 55 PHE H H 1 8.617 0.030 . 1 . . . . 55 PHE H . 10065 1 612 . 1 1 55 55 PHE HA H 1 4.357 0.030 . 1 . . . . 55 PHE HA . 10065 1 613 . 1 1 55 55 PHE HB2 H 1 3.104 0.030 . 2 . . . . 55 PHE HB2 . 10065 1 614 . 1 1 55 55 PHE HB3 H 1 2.978 0.030 . 2 . . . . 55 PHE HB3 . 10065 1 615 . 1 1 55 55 PHE HD1 H 1 7.015 0.030 . 1 . . . . 55 PHE HD1 . 10065 1 616 . 1 1 55 55 PHE HD2 H 1 7.015 0.030 . 1 . . . . 55 PHE HD2 . 10065 1 617 . 1 1 55 55 PHE HE1 H 1 6.861 0.030 . 1 . . . . 55 PHE HE1 . 10065 1 618 . 1 1 55 55 PHE HE2 H 1 6.861 0.030 . 1 . . . . 55 PHE HE2 . 10065 1 619 . 1 1 55 55 PHE HZ H 1 6.766 0.030 . 1 . . . . 55 PHE HZ . 10065 1 620 . 1 1 55 55 PHE C C 13 176.684 0.300 . 1 . . . . 55 PHE C . 10065 1 621 . 1 1 55 55 PHE CA C 13 61.128 0.300 . 1 . . . . 55 PHE CA . 10065 1 622 . 1 1 55 55 PHE CB C 13 39.804 0.300 . 1 . . . . 55 PHE CB . 10065 1 623 . 1 1 55 55 PHE CD1 C 13 131.220 0.300 . 1 . . . . 55 PHE CD1 . 10065 1 624 . 1 1 55 55 PHE CD2 C 13 131.220 0.300 . 1 . . . . 55 PHE CD2 . 10065 1 625 . 1 1 55 55 PHE CE1 C 13 130.968 0.300 . 1 . . . . 55 PHE CE1 . 10065 1 626 . 1 1 55 55 PHE CE2 C 13 130.968 0.300 . 1 . . . . 55 PHE CE2 . 10065 1 627 . 1 1 55 55 PHE CZ C 13 129.226 0.300 . 1 . . . . 55 PHE CZ . 10065 1 628 . 1 1 55 55 PHE N N 15 123.909 0.300 . 1 . . . . 55 PHE N . 10065 1 629 . 1 1 56 56 LEU H H 1 8.420 0.030 . 1 . . . . 56 LEU H . 10065 1 630 . 1 1 56 56 LEU HA H 1 4.028 0.030 . 1 . . . . 56 LEU HA . 10065 1 631 . 1 1 56 56 LEU HB2 H 1 1.882 0.030 . 2 . . . . 56 LEU HB2 . 10065 1 632 . 1 1 56 56 LEU HB3 H 1 1.455 0.030 . 2 . . . . 56 LEU HB3 . 10065 1 633 . 1 1 56 56 LEU HG H 1 1.864 0.030 . 1 . . . . 56 LEU HG . 10065 1 634 . 1 1 56 56 LEU HD11 H 1 1.023 0.030 . 1 . . . . 56 LEU HD1 . 10065 1 635 . 1 1 56 56 LEU HD12 H 1 1.023 0.030 . 1 . . . . 56 LEU HD1 . 10065 1 636 . 1 1 56 56 LEU HD13 H 1 1.023 0.030 . 1 . . . . 56 LEU HD1 . 10065 1 637 . 1 1 56 56 LEU HD21 H 1 0.941 0.030 . 1 . . . . 56 LEU HD2 . 10065 1 638 . 1 1 56 56 LEU HD22 H 1 0.941 0.030 . 1 . . . . 56 LEU HD2 . 10065 1 639 . 1 1 56 56 LEU HD23 H 1 0.941 0.030 . 1 . . . . 56 LEU HD2 . 10065 1 640 . 1 1 56 56 LEU C C 13 180.245 0.300 . 1 . . . . 56 LEU C . 10065 1 641 . 1 1 56 56 LEU CA C 13 58.489 0.300 . 1 . . . . 56 LEU CA . 10065 1 642 . 1 1 56 56 LEU CB C 13 41.341 0.300 . 1 . . . . 56 LEU CB . 10065 1 643 . 1 1 56 56 LEU CG C 13 28.926 0.300 . 1 . . . . 56 LEU CG . 10065 1 644 . 1 1 56 56 LEU CD1 C 13 25.348 0.300 . 2 . . . . 56 LEU CD1 . 10065 1 645 . 1 1 56 56 LEU CD2 C 13 25.226 0.300 . 2 . . . . 56 LEU CD2 . 10065 1 646 . 1 1 56 56 LEU N N 15 119.682 0.300 . 1 . . . . 56 LEU N . 10065 1 647 . 1 1 57 57 ASN H H 1 7.872 0.030 . 1 . . . . 57 ASN H . 10065 1 648 . 1 1 57 57 ASN HA H 1 4.337 0.030 . 1 . . . . 57 ASN HA . 10065 1 649 . 1 1 57 57 ASN HB2 H 1 2.951 0.030 . 2 . . . . 57 ASN HB2 . 10065 1 650 . 1 1 57 57 ASN HB3 H 1 2.910 0.030 . 2 . . . . 57 ASN HB3 . 10065 1 651 . 1 1 57 57 ASN HD21 H 1 7.778 0.030 . 2 . . . . 57 ASN HD21 . 10065 1 652 . 1 1 57 57 ASN HD22 H 1 6.864 0.030 . 2 . . . . 57 ASN HD22 . 10065 1 653 . 1 1 57 57 ASN C C 13 179.082 0.300 . 1 . . . . 57 ASN C . 10065 1 654 . 1 1 57 57 ASN CA C 13 56.694 0.300 . 1 . . . . 57 ASN CA . 10065 1 655 . 1 1 57 57 ASN CB C 13 38.550 0.300 . 1 . . . . 57 ASN CB . 10065 1 656 . 1 1 57 57 ASN N N 15 116.268 0.300 . 1 . . . . 57 ASN N . 10065 1 657 . 1 1 57 57 ASN ND2 N 15 112.765 0.300 . 1 . . . . 57 ASN ND2 . 10065 1 658 . 1 1 58 58 GLU H H 1 8.190 0.030 . 1 . . . . 58 GLU H . 10065 1 659 . 1 1 58 58 GLU HA H 1 4.004 0.030 . 1 . . . . 58 GLU HA . 10065 1 660 . 1 1 58 58 GLU HB2 H 1 2.149 0.030 . 2 . . . . 58 GLU HB2 . 10065 1 661 . 1 1 58 58 GLU HB3 H 1 2.038 0.030 . 2 . . . . 58 GLU HB3 . 10065 1 662 . 1 1 58 58 GLU HG2 H 1 2.398 0.030 . 2 . . . . 58 GLU HG2 . 10065 1 663 . 1 1 58 58 GLU HG3 H 1 2.249 0.030 . 2 . . . . 58 GLU HG3 . 10065 1 664 . 1 1 58 58 GLU C C 13 178.380 0.300 . 1 . . . . 58 GLU C . 10065 1 665 . 1 1 58 58 GLU CA C 13 59.580 0.300 . 1 . . . . 58 GLU CA . 10065 1 666 . 1 1 58 58 GLU CB C 13 29.021 0.300 . 1 . . . . 58 GLU CB . 10065 1 667 . 1 1 58 58 GLU CG C 13 36.490 0.300 . 1 . . . . 58 GLU CG . 10065 1 668 . 1 1 58 58 GLU N N 15 122.843 0.300 . 1 . . . . 58 GLU N . 10065 1 669 . 1 1 59 59 GLY H H 1 7.948 0.030 . 1 . . . . 59 GLY H . 10065 1 670 . 1 1 59 59 GLY HA2 H 1 4.094 0.030 . 2 . . . . 59 GLY HA2 . 10065 1 671 . 1 1 59 59 GLY HA3 H 1 3.582 0.030 . 2 . . . . 59 GLY HA3 . 10065 1 672 . 1 1 59 59 GLY C C 13 174.576 0.300 . 1 . . . . 59 GLY C . 10065 1 673 . 1 1 59 59 GLY CA C 13 45.962 0.300 . 1 . . . . 59 GLY CA . 10065 1 674 . 1 1 59 59 GLY N N 15 103.896 0.300 . 1 . . . . 59 GLY N . 10065 1 675 . 1 1 60 60 GLY H H 1 7.797 0.030 . 1 . . . . 60 GLY H . 10065 1 676 . 1 1 60 60 GLY HA2 H 1 4.186 0.030 . 2 . . . . 60 GLY HA2 . 10065 1 677 . 1 1 60 60 GLY HA3 H 1 4.052 0.030 . 2 . . . . 60 GLY HA3 . 10065 1 678 . 1 1 60 60 GLY C C 13 175.545 0.300 . 1 . . . . 60 GLY C . 10065 1 679 . 1 1 60 60 GLY CA C 13 46.035 0.300 . 1 . . . . 60 GLY CA . 10065 1 680 . 1 1 60 60 GLY N N 15 108.541 0.300 . 1 . . . . 60 GLY N . 10065 1 681 . 1 1 61 61 ARG H H 1 8.357 0.030 . 1 . . . . 61 ARG H . 10065 1 682 . 1 1 61 61 ARG HA H 1 4.817 0.030 . 1 . . . . 61 ARG HA . 10065 1 683 . 1 1 61 61 ARG HB2 H 1 2.100 0.030 . 2 . . . . 61 ARG HB2 . 10065 1 684 . 1 1 61 61 ARG HB3 H 1 1.420 0.030 . 2 . . . . 61 ARG HB3 . 10065 1 685 . 1 1 61 61 ARG HD2 H 1 3.179 0.030 . 2 . . . . 61 ARG HD2 . 10065 1 686 . 1 1 61 61 ARG HD3 H 1 3.078 0.030 . 2 . . . . 61 ARG HD3 . 10065 1 687 . 1 1 61 61 ARG C C 13 176.126 0.300 . 1 . . . . 61 ARG C . 10065 1 688 . 1 1 61 61 ARG CA C 13 53.107 0.300 . 1 . . . . 61 ARG CA . 10065 1 689 . 1 1 61 61 ARG CB C 13 29.868 0.300 . 1 . . . . 61 ARG CB . 10065 1 690 . 1 1 61 61 ARG CG C 13 26.541 0.300 . 1 . . . . 61 ARG CG . 10065 1 691 . 1 1 61 61 ARG CD C 13 42.575 0.300 . 1 . . . . 61 ARG CD . 10065 1 692 . 1 1 61 61 ARG N N 15 120.247 0.300 . 1 . . . . 61 ARG N . 10065 1 693 . 1 1 62 62 ALA H H 1 8.241 0.030 . 1 . . . . 62 ALA H . 10065 1 694 . 1 1 62 62 ALA HA H 1 4.085 0.030 . 1 . . . . 62 ALA HA . 10065 1 695 . 1 1 62 62 ALA HB1 H 1 1.482 0.030 . 1 . . . . 62 ALA HB . 10065 1 696 . 1 1 62 62 ALA HB2 H 1 1.482 0.030 . 1 . . . . 62 ALA HB . 10065 1 697 . 1 1 62 62 ALA HB3 H 1 1.482 0.030 . 1 . . . . 62 ALA HB . 10065 1 698 . 1 1 62 62 ALA C C 13 178.888 0.300 . 1 . . . . 62 ALA C . 10065 1 699 . 1 1 62 62 ALA CA C 13 54.795 0.300 . 1 . . . . 62 ALA CA . 10065 1 700 . 1 1 62 62 ALA CB C 13 19.635 0.300 . 1 . . . . 62 ALA CB . 10065 1 701 . 1 1 62 62 ALA N N 15 121.838 0.300 . 1 . . . . 62 ALA N . 10065 1 702 . 1 1 63 63 THR H H 1 7.779 0.030 . 1 . . . . 63 THR H . 10065 1 703 . 1 1 63 63 THR HA H 1 4.304 0.030 . 1 . . . . 63 THR HA . 10065 1 704 . 1 1 63 63 THR HB H 1 4.480 0.030 . 1 . . . . 63 THR HB . 10065 1 705 . 1 1 63 63 THR HG21 H 1 1.220 0.030 . 1 . . . . 63 THR HG2 . 10065 1 706 . 1 1 63 63 THR HG22 H 1 1.220 0.030 . 1 . . . . 63 THR HG2 . 10065 1 707 . 1 1 63 63 THR HG23 H 1 1.220 0.030 . 1 . . . . 63 THR HG2 . 10065 1 708 . 1 1 63 63 THR C C 13 175.085 0.300 . 1 . . . . 63 THR C . 10065 1 709 . 1 1 63 63 THR CA C 13 61.585 0.300 . 1 . . . . 63 THR CA . 10065 1 710 . 1 1 63 63 THR CB C 13 69.155 0.300 . 1 . . . . 63 THR CB . 10065 1 711 . 1 1 63 63 THR CG2 C 13 21.646 0.300 . 1 . . . . 63 THR CG2 . 10065 1 712 . 1 1 63 63 THR N N 15 105.197 0.300 . 1 . . . . 63 THR N . 10065 1 713 . 1 1 64 64 SER H H 1 7.795 0.030 . 1 . . . . 64 SER H . 10065 1 714 . 1 1 64 64 SER HA H 1 4.366 0.030 . 1 . . . . 64 SER HA . 10065 1 715 . 1 1 64 64 SER HB2 H 1 3.970 0.030 . 2 . . . . 64 SER HB2 . 10065 1 716 . 1 1 64 64 SER HB3 H 1 3.777 0.030 . 2 . . . . 64 SER HB3 . 10065 1 717 . 1 1 64 64 SER C C 13 174.600 0.300 . 1 . . . . 64 SER C . 10065 1 718 . 1 1 64 64 SER CA C 13 59.299 0.300 . 1 . . . . 64 SER CA . 10065 1 719 . 1 1 64 64 SER CB C 13 64.035 0.300 . 1 . . . . 64 SER CB . 10065 1 720 . 1 1 64 64 SER N N 15 117.885 0.300 . 1 . . . . 64 SER N . 10065 1 721 . 1 1 65 65 LYS H H 1 8.540 0.030 . 1 . . . . 65 LYS H . 10065 1 722 . 1 1 65 65 LYS HA H 1 4.372 0.030 . 1 . . . . 65 LYS HA . 10065 1 723 . 1 1 65 65 LYS HB2 H 1 1.797 0.030 . 1 . . . . 65 LYS HB2 . 10065 1 724 . 1 1 65 65 LYS HB3 H 1 1.797 0.030 . 1 . . . . 65 LYS HB3 . 10065 1 725 . 1 1 65 65 LYS HG2 H 1 1.565 0.030 . 2 . . . . 65 LYS HG2 . 10065 1 726 . 1 1 65 65 LYS HG3 H 1 1.493 0.030 . 2 . . . . 65 LYS HG3 . 10065 1 727 . 1 1 65 65 LYS HD2 H 1 2.000 0.030 . 2 . . . . 65 LYS HD2 . 10065 1 728 . 1 1 65 65 LYS HD3 H 1 1.735 0.030 . 2 . . . . 65 LYS HD3 . 10065 1 729 . 1 1 65 65 LYS HE2 H 1 3.070 0.030 . 1 . . . . 65 LYS HE2 . 10065 1 730 . 1 1 65 65 LYS HE3 H 1 3.070 0.030 . 1 . . . . 65 LYS HE3 . 10065 1 731 . 1 1 65 65 LYS C C 13 177.144 0.300 . 1 . . . . 65 LYS C . 10065 1 732 . 1 1 65 65 LYS CA C 13 57.012 0.300 . 1 . . . . 65 LYS CA . 10065 1 733 . 1 1 65 65 LYS CB C 13 32.790 0.300 . 1 . . . . 65 LYS CB . 10065 1 734 . 1 1 65 65 LYS CG C 13 25.120 0.300 . 1 . . . . 65 LYS CG . 10065 1 735 . 1 1 65 65 LYS CE C 13 42.164 0.300 . 1 . . . . 65 LYS CE . 10065 1 736 . 1 1 65 65 LYS N N 15 124.269 0.300 . 1 . . . . 65 LYS N . 10065 1 737 . 1 1 66 66 ASP H H 1 8.383 0.030 . 1 . . . . 66 ASP H . 10065 1 738 . 1 1 66 66 ASP HA H 1 4.864 0.030 . 1 . . . . 66 ASP HA . 10065 1 739 . 1 1 66 66 ASP HB2 H 1 2.806 0.030 . 2 . . . . 66 ASP HB2 . 10065 1 740 . 1 1 66 66 ASP HB3 H 1 2.488 0.030 . 2 . . . . 66 ASP HB3 . 10065 1 741 . 1 1 66 66 ASP C C 13 176.514 0.300 . 1 . . . . 66 ASP C . 10065 1 742 . 1 1 66 66 ASP CA C 13 52.471 0.300 . 1 . . . . 66 ASP CA . 10065 1 743 . 1 1 66 66 ASP CB C 13 40.222 0.300 . 1 . . . . 66 ASP CB . 10065 1 744 . 1 1 66 66 ASP N N 15 120.062 0.300 . 1 . . . . 66 ASP N . 10065 1 745 . 1 1 67 67 TRP H H 1 7.853 0.030 . 1 . . . . 67 TRP H . 10065 1 746 . 1 1 67 67 TRP HA H 1 4.311 0.030 . 1 . . . . 67 TRP HA . 10065 1 747 . 1 1 67 67 TRP HB2 H 1 3.289 0.030 . 2 . . . . 67 TRP HB2 . 10065 1 748 . 1 1 67 67 TRP HB3 H 1 3.165 0.030 . 2 . . . . 67 TRP HB3 . 10065 1 749 . 1 1 67 67 TRP HD1 H 1 7.549 0.030 . 1 . . . . 67 TRP HD1 . 10065 1 750 . 1 1 67 67 TRP HE1 H 1 10.435 0.030 . 1 . . . . 67 TRP HE1 . 10065 1 751 . 1 1 67 67 TRP HE3 H 1 7.233 0.030 . 1 . . . . 67 TRP HE3 . 10065 1 752 . 1 1 67 67 TRP HZ2 H 1 7.604 0.030 . 1 . . . . 67 TRP HZ2 . 10065 1 753 . 1 1 67 67 TRP HH2 H 1 7.161 0.030 . 1 . . . . 67 TRP HH2 . 10065 1 754 . 1 1 67 67 TRP C C 13 177.604 0.300 . 1 . . . . 67 TRP C . 10065 1 755 . 1 1 67 67 TRP CA C 13 59.299 0.300 . 1 . . . . 67 TRP CA . 10065 1 756 . 1 1 67 67 TRP CB C 13 28.515 0.300 . 1 . . . . 67 TRP CB . 10065 1 757 . 1 1 67 67 TRP CD1 C 13 128.341 0.300 . 1 . . . . 67 TRP CD1 . 10065 1 758 . 1 1 67 67 TRP CE3 C 13 120.470 0.300 . 1 . . . . 67 TRP CE3 . 10065 1 759 . 1 1 67 67 TRP CZ2 C 13 114.939 0.300 . 1 . . . . 67 TRP CZ2 . 10065 1 760 . 1 1 67 67 TRP CZ3 C 13 121.430 0.300 . 1 . . . . 67 TRP CZ3 . 10065 1 761 . 1 1 67 67 TRP CH2 C 13 124.574 0.300 . 1 . . . . 67 TRP CH2 . 10065 1 762 . 1 1 67 67 TRP N N 15 124.296 0.300 . 1 . . . . 67 TRP N . 10065 1 763 . 1 1 67 67 TRP NE1 N 15 130.564 0.300 . 1 . . . . 67 TRP NE1 . 10065 1 764 . 1 1 68 68 LYS H H 1 7.468 0.030 . 1 . . . . 68 LYS H . 10065 1 765 . 1 1 68 68 LYS HA H 1 3.667 0.030 . 1 . . . . 68 LYS HA . 10065 1 766 . 1 1 68 68 LYS HB2 H 1 1.197 0.030 . 2 . . . . 68 LYS HB2 . 10065 1 767 . 1 1 68 68 LYS HB3 H 1 1.093 0.030 . 2 . . . . 68 LYS HB3 . 10065 1 768 . 1 1 68 68 LYS HG2 H 1 -0.150 0.030 . 2 . . . . 68 LYS HG2 . 10065 1 769 . 1 1 68 68 LYS HG3 H 1 -0.416 0.030 . 2 . . . . 68 LYS HG3 . 10065 1 770 . 1 1 68 68 LYS HD2 H 1 1.117 0.030 . 2 . . . . 68 LYS HD2 . 10065 1 771 . 1 1 68 68 LYS HD3 H 1 1.064 0.030 . 2 . . . . 68 LYS HD3 . 10065 1 772 . 1 1 68 68 LYS HE2 H 1 2.483 0.030 . 2 . . . . 68 LYS HE2 . 10065 1 773 . 1 1 68 68 LYS HE3 H 1 2.407 0.030 . 2 . . . . 68 LYS HE3 . 10065 1 774 . 1 1 68 68 LYS C C 13 176.950 0.300 . 1 . . . . 68 LYS C . 10065 1 775 . 1 1 68 68 LYS CA C 13 59.297 0.300 . 1 . . . . 68 LYS CA . 10065 1 776 . 1 1 68 68 LYS CB C 13 32.364 0.300 . 1 . . . . 68 LYS CB . 10065 1 777 . 1 1 68 68 LYS CG C 13 24.815 0.300 . 1 . . . . 68 LYS CG . 10065 1 778 . 1 1 68 68 LYS CD C 13 29.906 0.300 . 1 . . . . 68 LYS CD . 10065 1 779 . 1 1 68 68 LYS CE C 13 42.246 0.300 . 1 . . . . 68 LYS CE . 10065 1 780 . 1 1 68 68 LYS N N 15 119.323 0.300 . 1 . . . . 68 LYS N . 10065 1 781 . 1 1 69 69 GLY H H 1 7.511 0.030 . 1 . . . . 69 GLY H . 10065 1 782 . 1 1 69 69 GLY HA2 H 1 4.153 0.030 . 2 . . . . 69 GLY HA2 . 10065 1 783 . 1 1 69 69 GLY HA3 H 1 3.760 0.030 . 2 . . . . 69 GLY HA3 . 10065 1 784 . 1 1 69 69 GLY C C 13 174.503 0.300 . 1 . . . . 69 GLY C . 10065 1 785 . 1 1 69 69 GLY CA C 13 45.169 0.300 . 1 . . . . 69 GLY CA . 10065 1 786 . 1 1 69 69 GLY N N 15 102.696 0.300 . 1 . . . . 69 GLY N . 10065 1 787 . 1 1 70 70 VAL H H 1 7.305 0.030 . 1 . . . . 70 VAL H . 10065 1 788 . 1 1 70 70 VAL HA H 1 4.485 0.030 . 1 . . . . 70 VAL HA . 10065 1 789 . 1 1 70 70 VAL HB H 1 2.230 0.030 . 1 . . . . 70 VAL HB . 10065 1 790 . 1 1 70 70 VAL HG11 H 1 1.032 0.030 . 1 . . . . 70 VAL HG1 . 10065 1 791 . 1 1 70 70 VAL HG12 H 1 1.032 0.030 . 1 . . . . 70 VAL HG1 . 10065 1 792 . 1 1 70 70 VAL HG13 H 1 1.032 0.030 . 1 . . . . 70 VAL HG1 . 10065 1 793 . 1 1 70 70 VAL HG21 H 1 1.005 0.030 . 1 . . . . 70 VAL HG2 . 10065 1 794 . 1 1 70 70 VAL HG22 H 1 1.005 0.030 . 1 . . . . 70 VAL HG2 . 10065 1 795 . 1 1 70 70 VAL HG23 H 1 1.005 0.030 . 1 . . . . 70 VAL HG2 . 10065 1 796 . 1 1 70 70 VAL C C 13 175.424 0.300 . 1 . . . . 70 VAL C . 10065 1 797 . 1 1 70 70 VAL CA C 13 61.972 0.300 . 1 . . . . 70 VAL CA . 10065 1 798 . 1 1 70 70 VAL CB C 13 33.709 0.300 . 1 . . . . 70 VAL CB . 10065 1 799 . 1 1 70 70 VAL CG1 C 13 20.630 0.300 . 2 . . . . 70 VAL CG1 . 10065 1 800 . 1 1 70 70 VAL CG2 C 13 21.712 0.300 . 2 . . . . 70 VAL CG2 . 10065 1 801 . 1 1 70 70 VAL N N 15 112.494 0.300 . 1 . . . . 70 VAL N . 10065 1 802 . 1 1 71 71 ILE H H 1 7.516 0.030 . 1 . . . . 71 ILE H . 10065 1 803 . 1 1 71 71 ILE HA H 1 4.641 0.030 . 1 . . . . 71 ILE HA . 10065 1 804 . 1 1 71 71 ILE HB H 1 1.928 0.030 . 1 . . . . 71 ILE HB . 10065 1 805 . 1 1 71 71 ILE HG12 H 1 2.429 0.030 . 2 . . . . 71 ILE HG12 . 10065 1 806 . 1 1 71 71 ILE HG13 H 1 1.062 0.030 . 2 . . . . 71 ILE HG13 . 10065 1 807 . 1 1 71 71 ILE HG21 H 1 1.114 0.030 . 1 . . . . 71 ILE HG2 . 10065 1 808 . 1 1 71 71 ILE HG22 H 1 1.114 0.030 . 1 . . . . 71 ILE HG2 . 10065 1 809 . 1 1 71 71 ILE HG23 H 1 1.114 0.030 . 1 . . . . 71 ILE HG2 . 10065 1 810 . 1 1 71 71 ILE HD11 H 1 1.250 0.030 . 1 . . . . 71 ILE HD1 . 10065 1 811 . 1 1 71 71 ILE HD12 H 1 1.250 0.030 . 1 . . . . 71 ILE HD1 . 10065 1 812 . 1 1 71 71 ILE HD13 H 1 1.250 0.030 . 1 . . . . 71 ILE HD1 . 10065 1 813 . 1 1 71 71 ILE C C 13 174.576 0.300 . 1 . . . . 71 ILE C . 10065 1 814 . 1 1 71 71 ILE CA C 13 62.265 0.300 . 1 . . . . 71 ILE CA . 10065 1 815 . 1 1 71 71 ILE CB C 13 38.224 0.300 . 1 . . . . 71 ILE CB . 10065 1 816 . 1 1 71 71 ILE CG1 C 13 29.261 0.300 . 1 . . . . 71 ILE CG1 . 10065 1 817 . 1 1 71 71 ILE CG2 C 13 18.414 0.300 . 1 . . . . 71 ILE CG2 . 10065 1 818 . 1 1 71 71 ILE CD1 C 13 14.429 0.300 . 1 . . . . 71 ILE CD1 . 10065 1 819 . 1 1 71 71 ILE N N 15 122.737 0.300 . 1 . . . . 71 ILE N . 10065 1 820 . 1 1 72 72 ARG H H 1 8.685 0.030 . 1 . . . . 72 ARG H . 10065 1 821 . 1 1 72 72 ARG HA H 1 5.200 0.030 . 1 . . . . 72 ARG HA . 10065 1 822 . 1 1 72 72 ARG HB2 H 1 1.574 0.030 . 2 . . . . 72 ARG HB2 . 10065 1 823 . 1 1 72 72 ARG HB3 H 1 1.197 0.030 . 2 . . . . 72 ARG HB3 . 10065 1 824 . 1 1 72 72 ARG HG2 H 1 1.497 0.030 . 2 . . . . 72 ARG HG2 . 10065 1 825 . 1 1 72 72 ARG HG3 H 1 1.060 0.030 . 2 . . . . 72 ARG HG3 . 10065 1 826 . 1 1 72 72 ARG HD2 H 1 3.024 0.030 . 2 . . . . 72 ARG HD2 . 10065 1 827 . 1 1 72 72 ARG HD3 H 1 2.840 0.030 . 2 . . . . 72 ARG HD3 . 10065 1 828 . 1 1 72 72 ARG C C 13 174.891 0.300 . 1 . . . . 72 ARG C . 10065 1 829 . 1 1 72 72 ARG CA C 13 53.845 0.300 . 1 . . . . 72 ARG CA . 10065 1 830 . 1 1 72 72 ARG CB C 13 34.846 0.300 . 1 . . . . 72 ARG CB . 10065 1 831 . 1 1 72 72 ARG CG C 13 28.679 0.300 . 1 . . . . 72 ARG CG . 10065 1 832 . 1 1 72 72 ARG CD C 13 43.397 0.300 . 1 . . . . 72 ARG CD . 10065 1 833 . 1 1 72 72 ARG N N 15 123.729 0.300 . 1 . . . . 72 ARG N . 10065 1 834 . 1 1 73 73 CYS H H 1 9.515 0.030 . 1 . . . . 73 CYS H . 10065 1 835 . 1 1 73 73 CYS HA H 1 4.996 0.030 . 1 . . . . 73 CYS HA . 10065 1 836 . 1 1 73 73 CYS HB2 H 1 2.612 0.030 . 2 . . . . 73 CYS HB2 . 10065 1 837 . 1 1 73 73 CYS HB3 H 1 2.462 0.030 . 2 . . . . 73 CYS HB3 . 10065 1 838 . 1 1 73 73 CYS C C 13 175.642 0.300 . 1 . . . . 73 CYS C . 10065 1 839 . 1 1 73 73 CYS CA C 13 57.391 0.300 . 1 . . . . 73 CYS CA . 10065 1 840 . 1 1 73 73 CYS CB C 13 28.210 0.300 . 1 . . . . 73 CYS CB . 10065 1 841 . 1 1 73 73 CYS N N 15 119.753 0.300 . 1 . . . . 73 CYS N . 10065 1 842 . 1 1 74 74 ASN H H 1 9.697 0.030 . 1 . . . . 74 ASN H . 10065 1 843 . 1 1 74 74 ASN HA H 1 4.409 0.030 . 1 . . . . 74 ASN HA . 10065 1 844 . 1 1 74 74 ASN HB2 H 1 3.132 0.030 . 2 . . . . 74 ASN HB2 . 10065 1 845 . 1 1 74 74 ASN HB3 H 1 2.922 0.030 . 2 . . . . 74 ASN HB3 . 10065 1 846 . 1 1 74 74 ASN HD21 H 1 7.604 0.030 . 2 . . . . 74 ASN HD21 . 10065 1 847 . 1 1 74 74 ASN HD22 H 1 6.876 0.030 . 2 . . . . 74 ASN HD22 . 10065 1 848 . 1 1 74 74 ASN C C 13 175.375 0.300 . 1 . . . . 74 ASN C . 10065 1 849 . 1 1 74 74 ASN CA C 13 54.443 0.300 . 1 . . . . 74 ASN CA . 10065 1 850 . 1 1 74 74 ASN CB C 13 37.559 0.300 . 1 . . . . 74 ASN CB . 10065 1 851 . 1 1 74 74 ASN N N 15 129.390 0.300 . 1 . . . . 74 ASN N . 10065 1 852 . 1 1 74 74 ASN ND2 N 15 113.359 0.300 . 1 . . . . 74 ASN ND2 . 10065 1 853 . 1 1 75 75 GLY H H 1 8.483 0.030 . 1 . . . . 75 GLY H . 10065 1 854 . 1 1 75 75 GLY HA2 H 1 4.319 0.030 . 2 . . . . 75 GLY HA2 . 10065 1 855 . 1 1 75 75 GLY HA3 H 1 3.606 0.030 . 2 . . . . 75 GLY HA3 . 10065 1 856 . 1 1 75 75 GLY C C 13 173.922 0.300 . 1 . . . . 75 GLY C . 10065 1 857 . 1 1 75 75 GLY CA C 13 45.455 0.300 . 1 . . . . 75 GLY CA . 10065 1 858 . 1 1 75 75 GLY N N 15 102.067 0.300 . 1 . . . . 75 GLY N . 10065 1 859 . 1 1 76 76 GLU H H 1 7.813 0.030 . 1 . . . . 76 GLU H . 10065 1 860 . 1 1 76 76 GLU HA H 1 4.882 0.030 . 1 . . . . 76 GLU HA . 10065 1 861 . 1 1 76 76 GLU HB2 H 1 2.057 0.030 . 2 . . . . 76 GLU HB2 . 10065 1 862 . 1 1 76 76 GLU HB3 H 1 1.969 0.030 . 2 . . . . 76 GLU HB3 . 10065 1 863 . 1 1 76 76 GLU HG2 H 1 2.334 0.030 . 2 . . . . 76 GLU HG2 . 10065 1 864 . 1 1 76 76 GLU HG3 H 1 2.206 0.030 . 2 . . . . 76 GLU HG3 . 10065 1 865 . 1 1 76 76 GLU C C 13 176.151 0.300 . 1 . . . . 76 GLU C . 10065 1 866 . 1 1 76 76 GLU CA C 13 54.232 0.300 . 1 . . . . 76 GLU CA . 10065 1 867 . 1 1 76 76 GLU CB C 13 32.202 0.300 . 1 . . . . 76 GLU CB . 10065 1 868 . 1 1 76 76 GLU CG C 13 35.885 0.300 . 1 . . . . 76 GLU CG . 10065 1 869 . 1 1 76 76 GLU N N 15 122.018 0.300 . 1 . . . . 76 GLU N . 10065 1 870 . 1 1 77 77 THR H H 1 9.089 0.030 . 1 . . . . 77 THR H . 10065 1 871 . 1 1 77 77 THR HA H 1 4.594 0.030 . 1 . . . . 77 THR HA . 10065 1 872 . 1 1 77 77 THR HB H 1 5.004 0.030 . 1 . . . . 77 THR HB . 10065 1 873 . 1 1 77 77 THR HG21 H 1 1.304 0.030 . 1 . . . . 77 THR HG2 . 10065 1 874 . 1 1 77 77 THR HG22 H 1 1.304 0.030 . 1 . . . . 77 THR HG2 . 10065 1 875 . 1 1 77 77 THR HG23 H 1 1.304 0.030 . 1 . . . . 77 THR HG2 . 10065 1 876 . 1 1 77 77 THR C C 13 175.496 0.300 . 1 . . . . 77 THR C . 10065 1 877 . 1 1 77 77 THR CA C 13 62.007 0.300 . 1 . . . . 77 THR CA . 10065 1 878 . 1 1 77 77 THR CB C 13 69.873 0.300 . 1 . . . . 77 THR CB . 10065 1 879 . 1 1 77 77 THR CG2 C 13 22.248 0.300 . 1 . . . . 77 THR CG2 . 10065 1 880 . 1 1 77 77 THR N N 15 113.932 0.300 . 1 . . . . 77 THR N . 10065 1 881 . 1 1 78 78 LEU H H 1 8.203 0.030 . 1 . . . . 78 LEU H . 10065 1 882 . 1 1 78 78 LEU HA H 1 4.088 0.030 . 1 . . . . 78 LEU HA . 10065 1 883 . 1 1 78 78 LEU HB2 H 1 2.008 0.030 . 2 . . . . 78 LEU HB2 . 10065 1 884 . 1 1 78 78 LEU HB3 H 1 1.352 0.030 . 2 . . . . 78 LEU HB3 . 10065 1 885 . 1 1 78 78 LEU HG H 1 1.895 0.030 . 1 . . . . 78 LEU HG . 10065 1 886 . 1 1 78 78 LEU HD11 H 1 1.009 0.030 . 1 . . . . 78 LEU HD1 . 10065 1 887 . 1 1 78 78 LEU HD12 H 1 1.009 0.030 . 1 . . . . 78 LEU HD1 . 10065 1 888 . 1 1 78 78 LEU HD13 H 1 1.009 0.030 . 1 . . . . 78 LEU HD1 . 10065 1 889 . 1 1 78 78 LEU HD21 H 1 0.725 0.030 . 1 . . . . 78 LEU HD2 . 10065 1 890 . 1 1 78 78 LEU HD22 H 1 0.725 0.030 . 1 . . . . 78 LEU HD2 . 10065 1 891 . 1 1 78 78 LEU HD23 H 1 0.725 0.030 . 1 . . . . 78 LEU HD2 . 10065 1 892 . 1 1 78 78 LEU C C 13 179.228 0.300 . 1 . . . . 78 LEU C . 10065 1 893 . 1 1 78 78 LEU CA C 13 58.208 0.300 . 1 . . . . 78 LEU CA . 10065 1 894 . 1 1 78 78 LEU CB C 13 39.697 0.300 . 1 . . . . 78 LEU CB . 10065 1 895 . 1 1 78 78 LEU CG C 13 26.336 0.300 . 1 . . . . 78 LEU CG . 10065 1 896 . 1 1 78 78 LEU CD1 C 13 26.157 0.300 . 2 . . . . 78 LEU CD1 . 10065 1 897 . 1 1 78 78 LEU CD2 C 13 21.592 0.300 . 2 . . . . 78 LEU CD2 . 10065 1 898 . 1 1 78 78 LEU N N 15 119.417 0.300 . 1 . . . . 78 LEU N . 10065 1 899 . 1 1 79 79 ARG H H 1 8.064 0.030 . 1 . . . . 79 ARG H . 10065 1 900 . 1 1 79 79 ARG HA H 1 3.773 0.030 . 1 . . . . 79 ARG HA . 10065 1 901 . 1 1 79 79 ARG HB2 H 1 1.635 0.030 . 2 . . . . 79 ARG HB2 . 10065 1 902 . 1 1 79 79 ARG HB3 H 1 1.430 0.030 . 2 . . . . 79 ARG HB3 . 10065 1 903 . 1 1 79 79 ARG HG2 H 1 1.492 0.030 . 2 . . . . 79 ARG HG2 . 10065 1 904 . 1 1 79 79 ARG HG3 H 1 1.450 0.030 . 2 . . . . 79 ARG HG3 . 10065 1 905 . 1 1 79 79 ARG HD2 H 1 3.154 0.030 . 1 . . . . 79 ARG HD2 . 10065 1 906 . 1 1 79 79 ARG HD3 H 1 3.092 0.030 . 2 . . . . 79 ARG HD3 . 10065 1 907 . 1 1 79 79 ARG HE H 1 7.453 0.030 . 1 . . . . 79 ARG HE . 10065 1 908 . 1 1 79 79 ARG C C 13 177.386 0.300 . 1 . . . . 79 ARG C . 10065 1 909 . 1 1 79 79 ARG CA C 13 59.017 0.300 . 1 . . . . 79 ARG CA . 10065 1 910 . 1 1 79 79 ARG CB C 13 28.926 0.300 . 1 . . . . 79 ARG CB . 10065 1 911 . 1 1 79 79 ARG CG C 13 26.952 0.300 . 1 . . . . 79 ARG CG . 10065 1 912 . 1 1 79 79 ARG CD C 13 42.328 0.300 . 1 . . . . 79 ARG CD . 10065 1 913 . 1 1 79 79 ARG N N 15 117.926 0.300 . 1 . . . . 79 ARG N . 10065 1 914 . 1 1 79 79 ARG NE N 15 106.922 0.300 . 1 . . . . 79 ARG NE . 10065 1 915 . 1 1 80 80 HIS H H 1 8.177 0.030 . 1 . . . . 80 HIS H . 10065 1 916 . 1 1 80 80 HIS HA H 1 4.349 0.030 . 1 . . . . 80 HIS HA . 10065 1 917 . 1 1 80 80 HIS HB2 H 1 3.389 0.030 . 2 . . . . 80 HIS HB2 . 10065 1 918 . 1 1 80 80 HIS HB3 H 1 3.324 0.030 . 2 . . . . 80 HIS HB3 . 10065 1 919 . 1 1 80 80 HIS HD2 H 1 7.084 0.030 . 1 . . . . 80 HIS HD2 . 10065 1 920 . 1 1 80 80 HIS HE1 H 1 8.229 0.030 . 1 . . . . 80 HIS HE1 . 10065 1 921 . 1 1 80 80 HIS C C 13 178.040 0.300 . 1 . . . . 80 HIS C . 10065 1 922 . 1 1 80 80 HIS CA C 13 59.334 0.300 . 1 . . . . 80 HIS CA . 10065 1 923 . 1 1 80 80 HIS CB C 13 29.476 0.300 . 1 . . . . 80 HIS CB . 10065 1 924 . 1 1 80 80 HIS CD2 C 13 119.481 0.300 . 1 . . . . 80 HIS CD2 . 10065 1 925 . 1 1 80 80 HIS CE1 C 13 137.555 0.300 . 1 . . . . 80 HIS CE1 . 10065 1 926 . 1 1 80 80 HIS N N 15 120.401 0.300 . 1 . . . . 80 HIS N . 10065 1 927 . 1 1 81 81 LEU H H 1 8.004 0.030 . 1 . . . . 81 LEU H . 10065 1 928 . 1 1 81 81 LEU HA H 1 3.908 0.030 . 1 . . . . 81 LEU HA . 10065 1 929 . 1 1 81 81 LEU HB2 H 1 1.946 0.030 . 2 . . . . 81 LEU HB2 . 10065 1 930 . 1 1 81 81 LEU HB3 H 1 1.347 0.030 . 2 . . . . 81 LEU HB3 . 10065 1 931 . 1 1 81 81 LEU HG H 1 1.823 0.030 . 1 . . . . 81 LEU HG . 10065 1 932 . 1 1 81 81 LEU HD11 H 1 0.925 0.030 . 1 . . . . 81 LEU HD1 . 10065 1 933 . 1 1 81 81 LEU HD12 H 1 0.925 0.030 . 1 . . . . 81 LEU HD1 . 10065 1 934 . 1 1 81 81 LEU HD13 H 1 0.925 0.030 . 1 . . . . 81 LEU HD1 . 10065 1 935 . 1 1 81 81 LEU HD21 H 1 0.883 0.030 . 1 . . . . 81 LEU HD2 . 10065 1 936 . 1 1 81 81 LEU HD22 H 1 0.883 0.030 . 1 . . . . 81 LEU HD2 . 10065 1 937 . 1 1 81 81 LEU HD23 H 1 0.883 0.030 . 1 . . . . 81 LEU HD2 . 10065 1 938 . 1 1 81 81 LEU C C 13 179.518 0.300 . 1 . . . . 81 LEU C . 10065 1 939 . 1 1 81 81 LEU CA C 13 58.700 0.300 . 1 . . . . 81 LEU CA . 10065 1 940 . 1 1 81 81 LEU CB C 13 41.759 0.300 . 1 . . . . 81 LEU CB . 10065 1 941 . 1 1 81 81 LEU CG C 13 28.104 0.300 . 1 . . . . 81 LEU CG . 10065 1 942 . 1 1 81 81 LEU CD1 C 13 25.879 0.300 . 2 . . . . 81 LEU CD1 . 10065 1 943 . 1 1 81 81 LEU CD2 C 13 23.992 0.300 . 2 . . . . 81 LEU CD2 . 10065 1 944 . 1 1 81 81 LEU N N 15 118.398 0.300 . 1 . . . . 81 LEU N . 10065 1 945 . 1 1 82 82 GLU H H 1 8.652 0.030 . 1 . . . . 82 GLU H . 10065 1 946 . 1 1 82 82 GLU HA H 1 4.151 0.030 . 1 . . . . 82 GLU HA . 10065 1 947 . 1 1 82 82 GLU HB2 H 1 2.295 0.030 . 2 . . . . 82 GLU HB2 . 10065 1 948 . 1 1 82 82 GLU HB3 H 1 2.073 0.030 . 2 . . . . 82 GLU HB3 . 10065 1 949 . 1 1 82 82 GLU HG2 H 1 2.327 0.030 . 2 . . . . 82 GLU HG2 . 10065 1 950 . 1 1 82 82 GLU HG3 H 1 2.173 0.030 . 2 . . . . 82 GLU HG3 . 10065 1 951 . 1 1 82 82 GLU C C 13 180.657 0.300 . 1 . . . . 82 GLU C . 10065 1 952 . 1 1 82 82 GLU CA C 13 59.350 0.300 . 1 . . . . 82 GLU CA . 10065 1 953 . 1 1 82 82 GLU CB C 13 29.766 0.300 . 1 . . . . 82 GLU CB . 10065 1 954 . 1 1 82 82 GLU CG C 13 36.397 0.300 . 1 . . . . 82 GLU CG . 10065 1 955 . 1 1 82 82 GLU N N 15 121.767 0.300 . 1 . . . . 82 GLU N . 10065 1 956 . 1 1 83 83 GLN H H 1 8.219 0.030 . 1 . . . . 83 GLN H . 10065 1 957 . 1 1 83 83 GLN HA H 1 4.074 0.030 . 1 . . . . 83 GLN HA . 10065 1 958 . 1 1 83 83 GLN HB2 H 1 2.269 0.030 . 2 . . . . 83 GLN HB2 . 10065 1 959 . 1 1 83 83 GLN HB3 H 1 2.114 0.030 . 2 . . . . 83 GLN HB3 . 10065 1 960 . 1 1 83 83 GLN HG2 H 1 2.619 0.030 . 2 . . . . 83 GLN HG2 . 10065 1 961 . 1 1 83 83 GLN HG3 H 1 2.437 0.030 . 2 . . . . 83 GLN HG3 . 10065 1 962 . 1 1 83 83 GLN HE21 H 1 7.469 0.030 . 2 . . . . 83 GLN HE21 . 10065 1 963 . 1 1 83 83 GLN HE22 H 1 6.817 0.030 . 2 . . . . 83 GLN HE22 . 10065 1 964 . 1 1 83 83 GLN C C 13 177.822 0.300 . 1 . . . . 83 GLN C . 10065 1 965 . 1 1 83 83 GLN CA C 13 58.525 0.300 . 1 . . . . 83 GLN CA . 10065 1 966 . 1 1 83 83 GLN CB C 13 28.150 0.300 . 1 . . . . 83 GLN CB . 10065 1 967 . 1 1 83 83 GLN CG C 13 34.190 0.300 . 1 . . . . 83 GLN CG . 10065 1 968 . 1 1 83 83 GLN N N 15 120.538 0.300 . 1 . . . . 83 GLN N . 10065 1 969 . 1 1 83 83 GLN NE2 N 15 111.240 0.300 . 1 . . . . 83 GLN NE2 . 10065 1 970 . 1 1 84 84 LYS H H 1 7.490 0.030 . 1 . . . . 84 LYS H . 10065 1 971 . 1 1 84 84 LYS HA H 1 4.312 0.030 . 1 . . . . 84 LYS HA . 10065 1 972 . 1 1 84 84 LYS HB2 H 1 1.983 0.030 . 2 . . . . 84 LYS HB2 . 10065 1 973 . 1 1 84 84 LYS HB3 H 1 1.747 0.030 . 2 . . . . 84 LYS HB3 . 10065 1 974 . 1 1 84 84 LYS HG2 H 1 1.490 0.030 . 1 . . . . 84 LYS HG2 . 10065 1 975 . 1 1 84 84 LYS HG3 H 1 1.490 0.030 . 1 . . . . 84 LYS HG3 . 10065 1 976 . 1 1 84 84 LYS HD2 H 1 1.573 0.030 . 1 . . . . 84 LYS HD2 . 10065 1 977 . 1 1 84 84 LYS HD3 H 1 1.573 0.030 . 1 . . . . 84 LYS HD3 . 10065 1 978 . 1 1 84 84 LYS HE2 H 1 2.896 0.030 . 2 . . . . 84 LYS HE2 . 10065 1 979 . 1 1 84 84 LYS HE3 H 1 2.827 0.030 . 2 . . . . 84 LYS HE3 . 10065 1 980 . 1 1 84 84 LYS C C 13 176.466 0.300 . 1 . . . . 84 LYS C . 10065 1 981 . 1 1 84 84 LYS CA C 13 56.178 0.300 . 1 . . . . 84 LYS CA . 10065 1 982 . 1 1 84 84 LYS CB C 13 33.119 0.300 . 1 . . . . 84 LYS CB . 10065 1 983 . 1 1 84 84 LYS CG C 13 24.652 0.300 . 1 . . . . 84 LYS CG . 10065 1 984 . 1 1 84 84 LYS CD C 13 29.208 0.300 . 1 . . . . 84 LYS CD . 10065 1 985 . 1 1 84 84 LYS CE C 13 41.803 0.300 . 1 . . . . 84 LYS CE . 10065 1 986 . 1 1 84 84 LYS N N 15 116.241 0.300 . 1 . . . . 84 LYS N . 10065 1 987 . 1 1 85 85 GLY H H 1 7.858 0.030 . 1 . . . . 85 GLY H . 10065 1 988 . 1 1 85 85 GLY HA2 H 1 4.180 0.030 . 2 . . . . 85 GLY HA2 . 10065 1 989 . 1 1 85 85 GLY HA3 H 1 3.914 0.030 . 2 . . . . 85 GLY HA3 . 10065 1 990 . 1 1 85 85 GLY C C 13 174.794 0.300 . 1 . . . . 85 GLY C . 10065 1 991 . 1 1 85 85 GLY CA C 13 45.994 0.300 . 1 . . . . 85 GLY CA . 10065 1 992 . 1 1 85 85 GLY N N 15 107.578 0.300 . 1 . . . . 85 GLY N . 10065 1 993 . 1 1 86 86 LEU H H 1 7.858 0.030 . 1 . . . . 86 LEU H . 10065 1 994 . 1 1 86 86 LEU HA H 1 4.438 0.030 . 1 . . . . 86 LEU HA . 10065 1 995 . 1 1 86 86 LEU HB2 H 1 1.603 0.030 . 2 . . . . 86 LEU HB2 . 10065 1 996 . 1 1 86 86 LEU HB3 H 1 1.442 0.030 . 2 . . . . 86 LEU HB3 . 10065 1 997 . 1 1 86 86 LEU HG H 1 1.445 0.030 . 1 . . . . 86 LEU HG . 10065 1 998 . 1 1 86 86 LEU HD11 H 1 0.887 0.030 . 1 . . . . 86 LEU HD1 . 10065 1 999 . 1 1 86 86 LEU HD12 H 1 0.887 0.030 . 1 . . . . 86 LEU HD1 . 10065 1 1000 . 1 1 86 86 LEU HD13 H 1 0.887 0.030 . 1 . . . . 86 LEU HD1 . 10065 1 1001 . 1 1 86 86 LEU HD21 H 1 0.834 0.030 . 1 . . . . 86 LEU HD2 . 10065 1 1002 . 1 1 86 86 LEU HD22 H 1 0.834 0.030 . 1 . . . . 86 LEU HD2 . 10065 1 1003 . 1 1 86 86 LEU HD23 H 1 0.834 0.030 . 1 . . . . 86 LEU HD2 . 10065 1 1004 . 1 1 86 86 LEU C C 13 175.690 0.300 . 1 . . . . 86 LEU C . 10065 1 1005 . 1 1 86 86 LEU CA C 13 54.690 0.300 . 1 . . . . 86 LEU CA . 10065 1 1006 . 1 1 86 86 LEU CB C 13 43.189 0.300 . 1 . . . . 86 LEU CB . 10065 1 1007 . 1 1 86 86 LEU CG C 13 27.024 0.300 . 1 . . . . 86 LEU CG . 10065 1 1008 . 1 1 86 86 LEU CD1 C 13 25.472 0.300 . 2 . . . . 86 LEU CD1 . 10065 1 1009 . 1 1 86 86 LEU CD2 C 13 22.958 0.300 . 2 . . . . 86 LEU CD2 . 10065 1 1010 . 1 1 86 86 LEU N N 15 118.424 0.300 . 1 . . . . 86 LEU N . 10065 1 1011 . 1 1 87 87 LEU H H 1 7.301 0.030 . 1 . . . . 87 LEU H . 10065 1 1012 . 1 1 87 87 LEU HA H 1 4.498 0.030 . 1 . . . . 87 LEU HA . 10065 1 1013 . 1 1 87 87 LEU HB2 H 1 1.353 0.030 . 2 . . . . 87 LEU HB2 . 10065 1 1014 . 1 1 87 87 LEU HB3 H 1 1.128 0.030 . 2 . . . . 87 LEU HB3 . 10065 1 1015 . 1 1 87 87 LEU HG H 1 1.269 0.030 . 1 . . . . 87 LEU HG . 10065 1 1016 . 1 1 87 87 LEU HD11 H 1 0.754 0.030 . 1 . . . . 87 LEU HD1 . 10065 1 1017 . 1 1 87 87 LEU HD12 H 1 0.754 0.030 . 1 . . . . 87 LEU HD1 . 10065 1 1018 . 1 1 87 87 LEU HD13 H 1 0.754 0.030 . 1 . . . . 87 LEU HD1 . 10065 1 1019 . 1 1 87 87 LEU HD21 H 1 0.809 0.030 . 1 . . . . 87 LEU HD2 . 10065 1 1020 . 1 1 87 87 LEU HD22 H 1 0.809 0.030 . 1 . . . . 87 LEU HD2 . 10065 1 1021 . 1 1 87 87 LEU HD23 H 1 0.809 0.030 . 1 . . . . 87 LEU HD2 . 10065 1 1022 . 1 1 87 87 LEU C C 13 175.521 0.300 . 1 . . . . 87 LEU C . 10065 1 1023 . 1 1 87 87 LEU CA C 13 54.464 0.300 . 1 . . . . 87 LEU CA . 10065 1 1024 . 1 1 87 87 LEU CB C 13 44.506 0.300 . 1 . . . . 87 LEU CB . 10065 1 1025 . 1 1 87 87 LEU CG C 13 26.897 0.300 . 1 . . . . 87 LEU CG . 10065 1 1026 . 1 1 87 87 LEU CD1 C 13 25.840 0.300 . 2 . . . . 87 LEU CD1 . 10065 1 1027 . 1 1 87 87 LEU CD2 C 13 24.691 0.300 . 2 . . . . 87 LEU CD2 . 10065 1 1028 . 1 1 87 87 LEU N N 15 119.821 0.300 . 1 . . . . 87 LEU N . 10065 1 1029 . 1 1 88 88 PHE H H 1 8.524 0.030 . 1 . . . . 88 PHE H . 10065 1 1030 . 1 1 88 88 PHE HA H 1 4.649 0.030 . 1 . . . . 88 PHE HA . 10065 1 1031 . 1 1 88 88 PHE HB2 H 1 3.129 0.030 . 2 . . . . 88 PHE HB2 . 10065 1 1032 . 1 1 88 88 PHE HB3 H 1 2.965 0.030 . 2 . . . . 88 PHE HB3 . 10065 1 1033 . 1 1 88 88 PHE HD1 H 1 7.232 0.030 . 1 . . . . 88 PHE HD1 . 10065 1 1034 . 1 1 88 88 PHE HD2 H 1 7.232 0.030 . 1 . . . . 88 PHE HD2 . 10065 1 1035 . 1 1 88 88 PHE HE1 H 1 7.282 0.030 . 1 . . . . 88 PHE HE1 . 10065 1 1036 . 1 1 88 88 PHE HE2 H 1 7.282 0.030 . 1 . . . . 88 PHE HE2 . 10065 1 1037 . 1 1 88 88 PHE HZ H 1 7.214 0.030 . 1 . . . . 88 PHE HZ . 10065 1 1038 . 1 1 88 88 PHE C C 13 174.891 0.300 . 1 . . . . 88 PHE C . 10065 1 1039 . 1 1 88 88 PHE CA C 13 57.223 0.300 . 1 . . . . 88 PHE CA . 10065 1 1040 . 1 1 88 88 PHE CB C 13 39.425 0.300 . 1 . . . . 88 PHE CB . 10065 1 1041 . 1 1 88 88 PHE CD1 C 13 131.750 0.300 . 1 . . . . 88 PHE CD1 . 10065 1 1042 . 1 1 88 88 PHE CD2 C 13 131.750 0.300 . 1 . . . . 88 PHE CD2 . 10065 1 1043 . 1 1 88 88 PHE CE1 C 13 131.402 0.300 . 1 . . . . 88 PHE CE1 . 10065 1 1044 . 1 1 88 88 PHE CE2 C 13 131.402 0.300 . 1 . . . . 88 PHE CE2 . 10065 1 1045 . 1 1 88 88 PHE CZ C 13 129.465 0.300 . 1 . . . . 88 PHE CZ . 10065 1 1046 . 1 1 88 88 PHE N N 15 121.939 0.300 . 1 . . . . 88 PHE N . 10065 1 1047 . 1 1 89 89 SER H H 1 8.083 0.030 . 1 . . . . 89 SER H . 10065 1 1048 . 1 1 89 89 SER HA H 1 4.468 0.030 . 1 . . . . 89 SER HA . 10065 1 1049 . 1 1 89 89 SER HB2 H 1 3.884 0.030 . 2 . . . . 89 SER HB2 . 10065 1 1050 . 1 1 89 89 SER HB3 H 1 3.774 0.030 . 2 . . . . 89 SER HB3 . 10065 1 1051 . 1 1 89 89 SER C C 13 174.309 0.300 . 1 . . . . 89 SER C . 10065 1 1052 . 1 1 89 89 SER CA C 13 57.891 0.300 . 1 . . . . 89 SER CA . 10065 1 1053 . 1 1 89 89 SER CB C 13 64.446 0.300 . 1 . . . . 89 SER CB . 10065 1 1054 . 1 1 89 89 SER N N 15 116.204 0.300 . 1 . . . . 89 SER N . 10065 1 1055 . 1 1 90 90 GLY H H 1 7.970 0.030 . 1 . . . . 90 GLY H . 10065 1 1056 . 1 1 90 90 GLY HA2 H 1 4.171 0.030 . 2 . . . . 90 GLY HA2 . 10065 1 1057 . 1 1 90 90 GLY HA3 H 1 4.077 0.030 . 2 . . . . 90 GLY HA3 . 10065 1 1058 . 1 1 90 90 GLY C C 13 171.668 0.300 . 1 . . . . 90 GLY C . 10065 1 1059 . 1 1 90 90 GLY CA C 13 44.749 0.300 . 1 . . . . 90 GLY CA . 10065 1 1060 . 1 1 90 90 GLY N N 15 110.117 0.300 . 1 . . . . 90 GLY N . 10065 1 1061 . 1 1 91 91 PRO HA H 1 4.534 0.030 . 1 . . . . 91 PRO HA . 10065 1 1062 . 1 1 91 91 PRO HB2 H 1 2.351 0.030 . 2 . . . . 91 PRO HB2 . 10065 1 1063 . 1 1 91 91 PRO HB3 H 1 2.038 0.030 . 2 . . . . 91 PRO HB3 . 10065 1 1064 . 1 1 91 91 PRO HG2 H 1 2.065 0.030 . 1 . . . . 91 PRO HG2 . 10065 1 1065 . 1 1 91 91 PRO HG3 H 1 2.065 0.030 . 1 . . . . 91 PRO HG3 . 10065 1 1066 . 1 1 91 91 PRO HD2 H 1 3.657 0.030 . 1 . . . . 91 PRO HD2 . 10065 1 1067 . 1 1 91 91 PRO HD3 H 1 3.657 0.030 . 1 . . . . 91 PRO HD3 . 10065 1 1068 . 1 1 91 91 PRO C C 13 177.507 0.300 . 1 . . . . 91 PRO C . 10065 1 1069 . 1 1 91 91 PRO CA C 13 63.309 0.300 . 1 . . . . 91 PRO CA . 10065 1 1070 . 1 1 91 91 PRO CB C 13 32.295 0.300 . 1 . . . . 91 PRO CB . 10065 1 1071 . 1 1 91 91 PRO CG C 13 27.199 0.300 . 1 . . . . 91 PRO CG . 10065 1 1072 . 1 1 91 91 PRO CD C 13 49.810 0.300 . 1 . . . . 91 PRO CD . 10065 1 1073 . 1 1 92 92 SER H H 1 8.626 0.030 . 1 . . . . 92 SER H . 10065 1 1074 . 1 1 92 92 SER HA H 1 4.532 0.030 . 1 . . . . 92 SER HA . 10065 1 1075 . 1 1 92 92 SER HB2 H 1 3.963 0.030 . 1 . . . . 92 SER HB2 . 10065 1 1076 . 1 1 92 92 SER HB3 H 1 3.963 0.030 . 1 . . . . 92 SER HB3 . 10065 1 1077 . 1 1 92 92 SER C C 13 174.770 0.300 . 1 . . . . 92 SER C . 10065 1 1078 . 1 1 92 92 SER CA C 13 58.665 0.300 . 1 . . . . 92 SER CA . 10065 1 1079 . 1 1 92 92 SER CB C 13 63.953 0.300 . 1 . . . . 92 SER CB . 10065 1 1080 . 1 1 92 92 SER N N 15 116.676 0.300 . 1 . . . . 92 SER N . 10065 1 1081 . 1 1 93 93 SER H H 1 8.329 0.030 . 1 . . . . 93 SER H . 10065 1 1082 . 1 1 93 93 SER HA H 1 4.519 0.030 . 1 . . . . 93 SER HA . 10065 1 1083 . 1 1 93 93 SER HB2 H 1 3.924 0.030 . 1 . . . . 93 SER HB2 . 10065 1 1084 . 1 1 93 93 SER HB3 H 1 3.924 0.030 . 1 . . . . 93 SER HB3 . 10065 1 1085 . 1 1 93 93 SER C C 13 173.970 0.300 . 1 . . . . 93 SER C . 10065 1 1086 . 1 1 93 93 SER CA C 13 58.419 0.300 . 1 . . . . 93 SER CA . 10065 1 1087 . 1 1 93 93 SER CB C 13 64.199 0.300 . 1 . . . . 93 SER CB . 10065 1 1088 . 1 1 93 93 SER N N 15 117.589 0.300 . 1 . . . . 93 SER N . 10065 1 1089 . 1 1 94 94 GLY H H 1 8.079 0.030 . 1 . . . . 94 GLY H . 10065 1 1090 . 1 1 94 94 GLY C C 13 178.985 0.300 . 1 . . . . 94 GLY C . 10065 1 1091 . 1 1 94 94 GLY CA C 13 46.393 0.300 . 1 . . . . 94 GLY CA . 10065 1 1092 . 1 1 94 94 GLY N N 15 116.760 0.300 . 1 . . . . 94 GLY N . 10065 1 stop_ save_